A0A077Z1H2_TRITR Loading...

E3 ubiquitin-protein ligase

AlphaFold DB , UniProt , Accession A0A077Z1H2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 803 aa.

						>A0A077Z1H2_TRITR|A0A077Z1H2
MFCRSVREGSTIKFSLVSISKTGVESTIAQCSFTARELFKPSASGAFVYDALPITFTNVEGGGKGKRVKFTFAACGNLLVSHSPTPSTDSTVQLPVLNGEQQPGASGVSPNKVVDSTIASPVDPPNNVSQETVSEEATSSEPPVVPIRTKHKKAAVTNAAKECCSSSSSNDGPVENTDSLGDCSSRLTNTHISDVTNAQRLRRVRHVIPSSPMKGRDIITGEASVRPSVEEEPLPLGWEARFDMYGRRYYIDHNSKSTTWERPSSVSLPAGWESRRDPYGRIYYVDHNTRTTTWQRPTQNMLQAHQQWQSCRDQAMEQWQQRFLYPNVGQHNGETSDEVLPEGWEKRYDLSSGRPYYVNHVNRTTQWEQPSMQNPLEQPLPSGWEMSFTEEGAPFFIDHNTKTTTYNDPRTGKPLAALSVLSGSSNTFRWKISQFRYLCMANSGSNHVKIVVSRQNLFEDSFNEVMKKNSVDLRRRLYIQFRGEEGLDYGGVAREWFFLLSHEVLNPMYCLFEYAGRNKYSLQINPASFVNPDHLKYFTFIGRFIAMALFHGKFIYSGFTMPFYKKMLRKKLTVADIESVDPEFYNSLTFIQSNNIDVLDLELYFLVDYELLGEIRTHELKEGGGSIRVTEENKEEYINLMTEWRLNRGVEEQTTAFFSGFSSVFPLEWLQYFDEREIELLLCGMQEIDIDDWQRNTVYRHYHPGSKQVIWFWEFLRSLDNEKRTRMLQFVTGTCRVPVGGFAQLQGSNGLQLFSIEKVGKENWLPRSHTCFNRLDLPPYRCYQQLAEKMTKAIEETEGFGNE
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52.4	Low	60.7	Low	110 Å²	110	98 Å²	98	54%	0.542	50%	0.504	S	S	.	.				0	136.6	0	-79.3	172.9	-82.1	0	0	108.1	F14 F72 A73 A74 C75	M1-F14 HydrophobicContact CE-CD1 3.59Å; M1-F14 HydrophobicContact CE-CE1 3.49Å; M1-F14 VanDerWaalsContact CE-CE1 3.49Å; M1-F14 HydrophobicContact CE-CZ 4.47Å; M1-F14 HydrophobicContact SD-CD1 3.87Å; M1-F14 HydrophobicContact SD-CE1 3.72Å; M1-F72 HydrophobicContact CE-CB 4.24Å; M1-F72 HydrophobicContact CE-CG 4.39Å; M1-A73 PolarHBondContact N-O 2.86Å; M1-A74 WeakPolarHBondContact O-CA 3.47Å; M1-C75 PolarHBondContact O-N 3.4Å
2	F	44.3	Very low	61.5	Low	182 Å²	182	92.1 Å²	92.1	80%	0.798	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	135.6	172.2	-87.5	-86.4	0	0	0	109.5	C75	F2-C75 WeakPolarHBondContact CA-O 3.06Å; F2-C75 HydrophobicContact CD1-CB 4.01Å; F2-C75 HydrophobicContact CE1-CB 3.78Å; F2-C75 HydrophobicContact CZ-CB 4.22Å
3	C	56.5	Low	62.3	Low	48 Å²	48	97.5 Å²	97.5	32%	0.324	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	118.8	164.9	-71.6	0	0	0	0	108.2	S5 V6 C75 G76	C3-S5 VanDerWaalsContact C-N 3.26Å; C3-S5 PolarHBondContact O-N 2.99Å; C3-V6 HydrophobicContact CB-CG2 3.61Å; C3-C75 PolarHBondContact N-O 2.9Å; C3-G76 WeakPolarHBondContact O-CA 3.22Å
4	R	52.6	Low	62.9	Low	237 Å²	237	92.4 Å²	92.4	89%	0.894	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.2	-38.1	-178.3	-76.5	-176.1	171.1	-178.7	-2.9	112.4
5	S	56.8	Low	63.2	Low	65 Å²	65	90.6 Å²	90.6	46%	0.455	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	144.6	174.2	-172.9	0	0	0	0	110.9	C3 N77 L79	C3-S5 VanDerWaalsContact C-N 3.26Å; C3-S5 PolarHBondContact O-N 2.99Å; S5-N77 WeakPolarHBondContact CA-O 3.24Å; S5-L79 WeakPolarHBondContact OG-CD1 3.47Å; S5-L79 WeakPolarHBondContact OG-CG 3.26Å
6	V	63	Low	63.5	Low	18 Å²	18	86.5 Å²	86.5	11%	0.109	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	137.1	172	-169.3	0	0	0	0	109.5	C3 I12 A35 N77 L78 L79	C3-V6 HydrophobicContact CB-CG2 3.61Å; V6-I12 HydrophobicContact CG1-CD1 4.01Å; V6-I12 HydrophobicContact CG1-CG1 4.27Å; V6-I12 HydrophobicContact CG2-CD1 4.1Å; V6-A35 HydrophobicContact CB-CB 4.31Å; V6-A35 HydrophobicContact CG1-CB 3.65Å; V6-N77 PolarHBondContact N-O 2.79Å; V6-L78 CarbonylContact O-C 3.57Å; V6-L78 WeakPolarHBondContact O-CA 3.21Å; V6-L79 PolarHBondContact O-N 2.89Å
7	R	66.3	Low	64	Low	179 Å²	179	84.6 Å²	84.6	68%	0.675	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	144.8	173.2	-59.7	-176.5	-176.1	-177.3	1.8	110.4	G9 S10 A35 L79	R7-G9 PolarHBondContact O-N 3.39Å; R7-G9 VanDerWaalsContact O-N 3.15Å; R7-S10 VanDerWaalsContact O-CB 3.31Å; R7-S10 WeakPolarHBondContact O-CB 3.32Å; R7-S10 PolarHBondContact O-N 3.12Å; R7-S10 PolarHBondContact O-OG 3.47Å; R7-A35 WeakPolarHBondContact O-CB 3.21Å; R7-L79 WeakPolarHBondContact CA-O 3.28Å
8	E	62	Low	64.3	Low	34 Å²	34	82.8 Å²	82.8	16%	0.159	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-39.8	-175.5	-175.2	-177.1	-178.7	0	0	113.5	R36 L78 L79	E8-R36 HydrophobicContact CG-CB 4Å; E8-R36 HydrophobicContact CG-CG 4.21Å; E8-R36 PolarHBondContact O-N 3.35Å; E8-R36 WeakPolarHBondContact OE1-CD 3.36Å; E8-R36 IonicContact OE1-CZ 3.12Å; E8-R36 IonicContact OE1-NE 2.75Å; E8-R36 PolarHBondContact OE1-NE 2.74Å; E8-R36 IonicContact OE1-NH1 2.68Å; E8-R36 PolarHBondContact OE1-NH1 2.76Å; E8-L78 HydrophobicContact CB-CD1 4.47Å; E8-L78 HydrophobicContact CB-CD2 4.46Å; E8-L78 HydrophobicContact CB-CG 4.27Å; E8-L78 HydrophobicContact CG-CD2 4.24Å; E8-L79 PolarHBondContact N-O 3.3Å
9	G	67.6	Low	64.9	Low	69 Å²	69	84.2 Å²	84.2	71%	0.711	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	1.3	177.9	0	0	0	0	0	116	R7	R7-G9 PolarHBondContact O-N 3.39Å; R7-G9 VanDerWaalsContact O-N 3.15Å
10	S	71.4	Confident	65.4	Low	46 Å²	46	82.3 Å²	82.3	32%	0.322	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-73.5	131.7	178.8	-68.5	0	0	0	0	111.6	R7 A35	R7-S10 VanDerWaalsContact O-CB 3.31Å; R7-S10 WeakPolarHBondContact O-CB 3.32Å; R7-S10 PolarHBondContact O-N 3.12Å; R7-S10 PolarHBondContact O-OG 3.47Å; S10-A35 PolarHBondContact O-N 3.2Å
11	T	75.4	Confident	65.5	Low	90 Å²	90	89 Å²	89	55%	0.552	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	117.8	169.1	-48.7	0	0	0	0	110.2	F33	T11-F33 CarbonylContact C-O 3.54Å; T11-F33 WeakPolarHBondContact CA-O 3.28Å
12	I	69.4	Low	66.5	Low	27 Å²	27	89.4 Å²	89.4	14%	0.138	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	123.1	172.2	-46.4	-169.2	0	0	0	108.5	V6 F14 S32 F33 A35 L38 F39	V6-I12 HydrophobicContact CG1-CD1 4.01Å; V6-I12 HydrophobicContact CG1-CG1 4.27Å; V6-I12 HydrophobicContact CG2-CD1 4.1Å; I12-F14 HydrophobicContact CB-CE2 4.27Å; I12-F14 HydrophobicContact CB-CZ 4.23Å; I12-F14 HydrophobicContact CG2-CE1 3.85Å; I12-F14 HydrophobicContact CG2-CE2 3.87Å; I12-F14 HydrophobicContact CG2-CZ 3.46Å; I12-F14 VanDerWaalsContact CG2-CZ 3.46Å; I12-S32 WeakPolarHBondContact O-CA 3.4Å; I12-F33 PolarHBondContact N-O 2.58Å; I12-F33 PolarHBondContact O-N 2.74Å; I12-A35 HydrophobicContact CD1-CB 4.44Å; I12-L38 HydrophobicContact CB-CD1 4.04Å; I12-L38 HydrophobicContact CD1-CD1 3.69Å; I12-L38 HydrophobicContact CG1-CD1 4.12Å; I12-F39 HydrophobicContact CD1-CE2 4.38Å
13	K	72.6	Confident	67.6	Low	163 Å²	163	83.3 Å²	83.3	71%	0.709	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	136	175.9	-57.5	-169	176.9	177.6	0	110
14	F	70	Confident	68.1	Low	26 Å²	26	85.3 Å²	85.3	11%	0.114	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.9	173	-55.8	-78.5	0	0	0	109.7	M1 I12 Q30 C31 F33 L38 I54 F56	M1-F14 HydrophobicContact CE-CD1 3.59Å; M1-F14 HydrophobicContact CE-CE1 3.49Å; M1-F14 VanDerWaalsContact CE-CE1 3.49Å; M1-F14 HydrophobicContact CE-CZ 4.47Å; M1-F14 HydrophobicContact SD-CD1 3.87Å; M1-F14 HydrophobicContact SD-CE1 3.72Å; I12-F14 HydrophobicContact CB-CE2 4.27Å; I12-F14 HydrophobicContact CB-CZ 4.23Å; I12-F14 HydrophobicContact CG2-CE1 3.85Å; I12-F14 HydrophobicContact CG2-CE2 3.87Å; I12-F14 HydrophobicContact CG2-CZ 3.46Å; I12-F14 VanDerWaalsContact CG2-CZ 3.46Å; F14-Q30 VanDerWaalsContact O-CA 3.3Å; F14-Q30 WeakPolarHBondContact O-CA 3.14Å; F14-C31 PolarHBondContact N-O 2.88Å; F14-C31 PolarHBondContact O-N 2.98Å; F14-F33 AromaticContact CD2-CD2 3.88Å; F14-F33 HydrophobicContact CD2-CD2 3.88Å; F14-F33 HydrophobicContact CD2-CE2 4.12Å; F14-F33 AromaticContact CE2-CD2 3.76Å; F14-F33 HydrophobicContact CE2-CD2 3.76Å; F14-F33 HydrophobicContact CE2-CE2 4.27Å; F14-L38 HydrophobicContact CE2-CD1 3.93Å; F14-L38 HydrophobicContact CE2-CD2 4.33Å; F14-L38 HydrophobicContact CZ-CD1 3.99Å; F14-I54 HydrophobicContact CD2-CD1 3.77Å; F14-I54 HydrophobicContact CE1-CD1 4.3Å; F14-I54 HydrophobicContact CE2-CD1 3.41Å; F14-I54 VanDerWaalsContact CE2-CD1 3.41Å; F14-I54 HydrophobicContact CG-CD1 4.34Å; F14-I54 HydrophobicContact CZ-CD1 3.7Å; F14-F56 HydrophobicContact CB-CZ 4.38Å
15	S	67.3	Low	69.4	Low	65 Å²	65	80.2 Å²	80.2	46%	0.455	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.8	173.1	-59.1	0	0	0	0	109.3	Q30	S15-Q30 PolarHBondContact OG-NE2 2.85Å
16	L	68.2	Low	70.1	Confident	25 Å²	25	80 Å²	80	13%	0.131	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	123.9	166.6	-178.6	65.6	0	0	0	107.7	T27 I28 A29 F56 V59 F70	L16-T27 CarbonylContact O-C 3.55Å; L16-I28 HydrophobicContact CD2-CD1 4.18Å; L16-I28 HydrophobicContact CG-CD1 4.01Å; L16-I28 HydrophobicContact CG-CG1 4.31Å; L16-I28 PolarHBondContact O-N 3.28Å; L16-A29 HydrophobicContact CB-CB 4.25Å; L16-A29 PolarHBondContact N-O 2.82Å; L16-A29 PolarHBondContact O-N 2.79Å; L16-F56 HydrophobicContact CB-CE1 4.49Å; L16-V59 HydrophobicContact CD2-CG1 3.8Å; L16-V59 HydrophobicContact CD2-CG2 3.83Å; L16-F70 HydrophobicContact CD2-CD2 4.03Å; L16-F70 HydrophobicContact CD2-CE2 3.99Å
17	V	72.7	Confident	70.7	Confident	55 Å²	55	83.1 Å²	83.1	33%	0.333	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	135.5	-175.2	-177.4	0	0	0	0	110.2	I19 E25 S26	V17-I19 HydrophobicContact CG1-CG1 4.43Å; V17-E25 HydrophobicContact CG1-CB 3.81Å; V17-E25 HydrophobicContact CG1-CG 4.28Å; V17-S26 WeakPolarHBondContact CA-O 3.49Å
18	S	69.4	Low	70.8	Confident	52 Å²	52	77.5 Å²	77.5	36%	0.364	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	117.4	167.9	167.3	0	0	0	0	108.7	E25 S26	S18-E25 CarbonylContact O-C 3.55Å; S18-S26 PolarHBondContact N-O 2.89Å; S18-S26 PolarHBondContact O-N 3.34Å; S18-S26 PolarHBondContact O-OG 2.89Å
19	I	75.4	Confident	71	Confident	109 Å²	109	77 Å²	77	56%	0.559	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	122.2	172.5	-50.5	-179.7	0	0	0	107.9	V17 E25	V17-I19 HydrophobicContact CG1-CG1 4.43Å; I19-E25 HydrophobicContact CG1-CG 4.26Å
20	S	74.4	Confident	71.1	Confident	45 Å²	45	80.5 Å²	80.5	32%	0.315	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-72.9	166.4	178.4	87.8	0	0	0	0	111.9	T22 G23 V24	S20-T22 PolarHBondContact O-N 3.25Å; S20-T22 PolarHBondContact OG-N 3.04Å; S20-T22 PolarHBondContact OG-OG1 2.97Å; S20-G23 PolarHBondContact O-N 3.18Å; S20-G23 PolarHBondContact OG-N 3.35Å; S20-V24 WeakPolarHBondContact CB-O 3.26Å; S20-V24 PolarHBondContact N-O 3.38Å; S20-V24 PolarHBondContact OG-N 2.77Å; S20-V24 VanDerWaalsContact OG-N 3.1Å
21	K	67.1	Low	70.9	Confident	225 Å²	225	79.7 Å²	79.7	98%	0.978	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-10.7	170.7	-71.9	-171.3	176.3	-175.6	0	114.4
22	T	75.2	Confident	70.6	Confident	117 Å²	117	78.6 Å²	78.6	72%	0.718	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	17.7	177.1	61.6	0	0	0	0	112.2	S20 V24	S20-T22 PolarHBondContact O-N 3.25Å; S20-T22 PolarHBondContact OG-N 3.04Å; S20-T22 PolarHBondContact OG-OG1 2.97Å; T22-V24 PolarHBondContact O-N 2.83Å
23	G	66.6	Low	70.6	Confident	54 Å²	54	80.2 Å²	80.2	56%	0.557	45%	0.449	S	S	*	.	S	Bend	trans	74.1	5.7	178.5	0	0	0	0	0	115.3	S20 E25	S20-G23 PolarHBondContact O-N 3.18Å; S20-G23 PolarHBondContact OG-N 3.35Å; G23-E25 PolarHBondContact O-N 2.88Å
24	V	66.2	Low	70.5	Confident	91 Å²	91	74.5 Å²	74.5	55%	0.552	43%	0.428	S	S	*	.			trans	-78.1	117.7	178.6	-179.4	0	0	0	0	109.1	S20 T22	S20-V24 WeakPolarHBondContact CB-O 3.26Å; S20-V24 PolarHBondContact N-O 3.38Å; S20-V24 PolarHBondContact OG-N 2.77Å; S20-V24 VanDerWaalsContact OG-N 3.1Å; T22-V24 PolarHBondContact O-N 2.83Å
25	E	79.6	Confident	70.4	Confident	129 Å²	129	73.3 Å²	73.3	60%	0.603	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	146.1	175.6	-59.6	-151.4	144.3	0	0	112.3	V17 S18 I19 G23	V17-E25 HydrophobicContact CG1-CB 3.81Å; V17-E25 HydrophobicContact CG1-CG 4.28Å; S18-E25 CarbonylContact O-C 3.55Å; I19-E25 HydrophobicContact CG1-CG 4.26Å; G23-E25 PolarHBondContact O-N 2.88Å
26	S	72.5	Confident	70.4	Confident	60 Å²	60	78.2 Å²	78.2	42%	0.42	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	121	177	48.5	0	0	0	0	110.7	V17 S18 I28	V17-S26 WeakPolarHBondContact CA-O 3.49Å; S18-S26 PolarHBondContact N-O 2.89Å; S18-S26 PolarHBondContact O-N 3.34Å; S18-S26 PolarHBondContact O-OG 2.89Å; S26-I28 PolarHBondContact O-N 2.85Å
27	T	74.9	Confident	70.2	Confident	84 Å²	84	81.7 Å²	81.7	52%	0.515	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	118.9	-179.7	-49.1	0	0	0	0	110.7	L16 Q30	L16-T27 CarbonylContact O-C 3.55Å; T27-Q30 HydrophobicContact CG2-CG 3.56Å
28	I	69.9	Low	69.7	Low	62 Å²	62	79.2 Å²	79.2	32%	0.318	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-28.7	-178.1	-16.8	173.3	0	0	0	112.4	L16 S26 V59	L16-I28 HydrophobicContact CD2-CD1 4.18Å; L16-I28 HydrophobicContact CG-CD1 4.01Å; L16-I28 HydrophobicContact CG-CG1 4.31Å; L16-I28 PolarHBondContact O-N 3.28Å; S26-I28 PolarHBondContact O-N 2.85Å; I28-V59 HydrophobicContact CB-CG1 4.02Å; I28-V59 HydrophobicContact CD1-CG1 4.2Å; I28-V59 HydrophobicContact CG2-CG1 3.61Å
29	A	66	Low	69.3	Low	23 Å²	23	77.1 Å²	77.1	19%	0.19	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	153.8	176.4	0	0	0	0	0	110.9	L16 F56 V59	L16-A29 HydrophobicContact CB-CB 4.25Å; L16-A29 PolarHBondContact N-O 2.82Å; L16-A29 PolarHBondContact O-N 2.79Å; A29-F56 HydrophobicContact CB-CD1 3.7Å; A29-F56 HydrophobicContact CB-CE1 4.01Å; A29-V59 HydrophobicContact CB-CG2 4.49Å
30	Q	68.9	Low	68.4	Low	142 Å²	142	77.7 Å²	77.7	66%	0.664	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.3	149.7	170.1	-63.3	-170.6	-49.2	0	0	110.7	F14 S15 T27	F14-Q30 VanDerWaalsContact O-CA 3.3Å; F14-Q30 WeakPolarHBondContact O-CA 3.14Å; S15-Q30 PolarHBondContact OG-NE2 2.85Å; T27-Q30 HydrophobicContact CG2-CG 3.56Å
31	C	67.8	Low	67.3	Low	30 Å²	30	80.5 Å²	80.5	20%	0.203	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	160.7	167.3	58.3	0	0	0	0	110.3	F14 F33 F56	F14-C31 PolarHBondContact N-O 2.88Å; F14-C31 PolarHBondContact O-N 2.98Å; C31-F33 HydrophobicContact CB-CE2 4.16Å; C31-F56 HydrophobicContact CB-CE1 4.41Å; C31-F56 VanDerWaalsContact SG-CE1 3.59Å; C31-F56 WeakPolarHBondContact SG-CZ 3.41Å
32	S	69.1	Low	66.4	Low	67 Å²	67	71.4 Å²	71.4	47%	0.469	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	140.8	179.1	-61.2	0	0	0	0	108.9	I12	I12-S32 WeakPolarHBondContact O-CA 3.4Å
33	F	68	Low	65.3	Low	60 Å²	60	71 Å²	71	26%	0.263	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	151.9	177.3	-60.2	-90.1	0	0	0	108.9	T11 I12 F14 C31 E37 L38 I54	T11-F33 CarbonylContact C-O 3.54Å; T11-F33 WeakPolarHBondContact CA-O 3.28Å; I12-F33 PolarHBondContact N-O 2.58Å; I12-F33 PolarHBondContact O-N 2.74Å; F14-F33 AromaticContact CD2-CD2 3.88Å; F14-F33 HydrophobicContact CD2-CD2 3.88Å; F14-F33 HydrophobicContact CD2-CE2 4.12Å; F14-F33 AromaticContact CE2-CD2 3.76Å; F14-F33 HydrophobicContact CE2-CD2 3.76Å; F14-F33 HydrophobicContact CE2-CE2 4.27Å; C31-F33 HydrophobicContact CB-CE2 4.16Å; F33-E37 VanDerWaalsContact CA-OE2 3.24Å; F33-E37 WeakPolarHBondContact CA-OE2 3.15Å; F33-E37 HydrophobicContact CB-CB 4.29Å; F33-E37 HydrophobicContact CD1-CB 4.44Å; F33-L38 HydrophobicContact CB-CD1 3.94Å; F33-L38 HydrophobicContact CB-CD2 4.12Å; F33-L38 HydrophobicContact CB-CG 3.8Å; F33-L38 HydrophobicContact CD1-CD2 4.44Å; F33-L38 HydrophobicContact CD2-CD2 4.03Å; F33-L38 HydrophobicContact CG-CD2 3.96Å; F33-L38 HydrophobicContact CG-CG 4.21Å; F33-I54 HydrophobicContact CE2-CD1 4.08Å; F33-I54 HydrophobicContact CE2-CG1 3.96Å; F33-I54 HydrophobicContact CE2-CG2 3.96Å; F33-I54 HydrophobicContact CZ-CG1 4.23Å; F33-I54 HydrophobicContact CZ-CG2 4.18Å
34	T	70.6	Confident	64.3	Low	44 Å²	44	72.9 Å²	72.9	27%	0.27	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	152.6	161.1	65.6	0	0	0	0	109.9	R36 E37	T34-R36 PolarHBondContact O-N 2.71Å; T34-E37 WeakPolarHBondContact CB-OE1 3.44Å; T34-E37 VanDerWaalsContact CG2-OE1 3.29Å; T34-E37 WeakPolarHBondContact CG2-OE1 3.34Å; T34-E37 VanDerWaalsContact N-CD 3.33Å; T34-E37 PolarHBondContact N-OE1 2.65Å; T34-E37 PolarHBondContact N-OE2 3.24Å; T34-E37 WeakPolarHBondContact O-CB 3.16Å; T34-E37 PolarHBondContact O-N 3.3Å; T34-E37 WeakPolarHBondContact OG1-CG 3.29Å; T34-E37 PolarHBondContact OG1-N 3.29Å; T34-E37 PolarHBondContact OG1-OE1 3.2Å
35	A	68.7	Low	62.7	Low	0 Å²	0	70.9 Å²	70.9	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-57.5	-36	176.9	0	0	0	0	0	111.6	V6 R7 S10 I12 E37 L38 F39 L78	V6-A35 HydrophobicContact CB-CB 4.31Å; V6-A35 HydrophobicContact CG1-CB 3.65Å; R7-A35 WeakPolarHBondContact O-CB 3.21Å; S10-A35 PolarHBondContact O-N 3.2Å; I12-A35 HydrophobicContact CD1-CB 4.44Å; A35-E37 VanDerWaalsContact C-N 3.27Å; A35-E37 PolarHBondContact O-N 3.36Å; A35-L38 PolarHBondContact O-N 2.72Å; A35-L38 VanDerWaalsContact O-N 3.12Å; A35-F39 VanDerWaalsContact O-CD2 3.28Å; A35-F39 WeakPolarHBondContact O-CD2 3.15Å; A35-F39 PolarHBondContact O-N 3.22Å; A35-L78 HydrophobicContact CB-CD1 3.52Å
36	R	66.3	Low	60.7	Low	169 Å²	169	68.5 Å²	68.5	64%	0.638	41%	0.409	S	S	*	.	H	α-helix	trans	-60.2	-27.2	172.9	-164.1	-178.6	-177.1	145.4	-5.9	114.6	E8 T34	E8-R36 HydrophobicContact CG-CB 4Å; E8-R36 HydrophobicContact CG-CG 4.21Å; E8-R36 PolarHBondContact O-N 3.35Å; E8-R36 WeakPolarHBondContact OE1-CD 3.36Å; E8-R36 IonicContact OE1-CZ 3.12Å; E8-R36 IonicContact OE1-NE 2.75Å; E8-R36 PolarHBondContact OE1-NE 2.74Å; E8-R36 IonicContact OE1-NH1 2.68Å; E8-R36 PolarHBondContact OE1-NH1 2.76Å; T34-R36 PolarHBondContact O-N 2.71Å
37	E	64.4	Low	59.4	Low	97 Å²	97	73.4 Å²	73.4	45%	0.453	42%	0.424	S	S	.	.	H	α-helix	trans	-79.2	-20.3	175.5	-74.8	148.2	-137.4	0	0	113.5	F33 T34 A35 L52	F33-E37 VanDerWaalsContact CA-OE2 3.24Å; F33-E37 WeakPolarHBondContact CA-OE2 3.15Å; F33-E37 HydrophobicContact CB-CB 4.29Å; F33-E37 HydrophobicContact CD1-CB 4.44Å; T34-E37 WeakPolarHBondContact CB-OE1 3.44Å; T34-E37 VanDerWaalsContact CG2-OE1 3.29Å; T34-E37 WeakPolarHBondContact CG2-OE1 3.34Å; T34-E37 VanDerWaalsContact N-CD 3.33Å; T34-E37 PolarHBondContact N-OE1 2.65Å; T34-E37 PolarHBondContact N-OE2 3.24Å; T34-E37 WeakPolarHBondContact O-CB 3.16Å; T34-E37 PolarHBondContact O-N 3.3Å; T34-E37 WeakPolarHBondContact OG1-CG 3.29Å; T34-E37 PolarHBondContact OG1-N 3.29Å; T34-E37 PolarHBondContact OG1-OE1 3.2Å; A35-E37 VanDerWaalsContact C-N 3.27Å; A35-E37 PolarHBondContact O-N 3.36Å; E37-L52 WeakPolarHBondContact O-CD1 3.06Å
38	L	63.1	Low	57.8	Low	3 Å²	3	73.3 Å²	73.3	2%	0.016	42%	0.423	C	S	.	.	H	α-helix	trans	-95.1	-25.1	-176.2	-69.6	166.7	0	0	0	113.3	I12 F14 F33 A35 I54	I12-L38 HydrophobicContact CB-CD1 4.04Å; I12-L38 HydrophobicContact CD1-CD1 3.69Å; I12-L38 HydrophobicContact CG1-CD1 4.12Å; F14-L38 HydrophobicContact CE2-CD1 3.93Å; F14-L38 HydrophobicContact CE2-CD2 4.33Å; F14-L38 HydrophobicContact CZ-CD1 3.99Å; F33-L38 HydrophobicContact CB-CD1 3.94Å; F33-L38 HydrophobicContact CB-CD2 4.12Å; F33-L38 HydrophobicContact CB-CG 3.8Å; F33-L38 HydrophobicContact CD1-CD2 4.44Å; F33-L38 HydrophobicContact CD2-CD2 4.03Å; F33-L38 HydrophobicContact CG-CD2 3.96Å; F33-L38 HydrophobicContact CG-CG 4.21Å; A35-L38 PolarHBondContact O-N 2.72Å; A35-L38 VanDerWaalsContact O-N 3.12Å; L38-I54 HydrophobicContact CD2-CD1 3.9Å; L38-I54 HydrophobicContact CD2-CG1 4.04Å
39	F	60.9	Low	56.5	Low	8 Å²	8	72.8 Å²	72.8	4%	0.035	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	106	-168.1	-65.1	-60.6	0	0	0	111.3	I12 A35 Y49 A74 L78	I12-F39 HydrophobicContact CD1-CE2 4.38Å; A35-F39 VanDerWaalsContact O-CD2 3.28Å; A35-F39 WeakPolarHBondContact O-CD2 3.15Å; A35-F39 PolarHBondContact O-N 3.22Å; F39-Y49 VanDerWaalsContact C-CD1 3.49Å; F39-Y49 HydrophobicContact CB-CD1 3.62Å; F39-Y49 HydrophobicContact CB-CD2 4.41Å; F39-Y49 HydrophobicContact CB-CE1 4.21Å; F39-Y49 HydrophobicContact CB-CG 3.74Å; F39-Y49 HydrophobicContact CD1-CG 4.28Å; F39-Y49 HydrophobicContact CG-CG 4.36Å; F39-A74 HydrophobicContact CE1-CB 4.25Å; F39-A74 HydrophobicContact CZ-CB 4.37Å; F39-L78 HydrophobicContact CD2-CD1 4.02Å
40	K	55.6	Low	55.3	Low	121 Å²	121	76.7 Å²	76.7	53%	0.526	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.7	174.7	-74.7	-178.3	176.3	176.2	0	111.9	Y49 D50 L52	K40-Y49 VanDerWaalsContact C-CD1 3.47Å; K40-Y49 CarbonylContact O-C 3.54Å; K40-Y49 VanDerWaalsContact O-CA 3.26Å; K40-Y49 WeakPolarHBondContact O-CA 3.36Å; K40-D50 PolarHBondContact O-N 3.47Å; K40-L52 HydrophobicContact CD-CD1 3.99Å; K40-L52 HydrophobicContact CG-CD1 4.07Å
41	P	51.6	Low	54.2	Low	105 Å²	105	71.9 Å²	71.9	68%	0.682	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	134.5	-175.9	27.2	-34.6	0	0	0	111.7	Y49	P41-Y49 HydrophobicContact CB-CE1 4.39Å
42	S	49.2	Very low	53.4	Low	33 Å²	33	73.2 Å²	73.2	23%	0.231	42%	0.424	C	S	.	.			trans	-61.5	151.4	174.3	177.8	0	0	0	0	112.4	S44 V48	S42-S44 PolarHBondContact O-N 3.23Å; S42-S44 WeakPolarHBondContact OG-CB 3.17Å; S42-S44 PolarHBondContact OG-N 2.77Å; S42-S44 VanDerWaalsContact OG-N 3.12Å; S42-S44 PolarHBondContact OG-OG 2.88Å; S42-V48 VanDerWaalsContact CB-O 3.23Å; S42-V48 WeakPolarHBondContact CB-O 3.5Å; S42-V48 PolarHBondContact N-O 2.84Å
43	A	51	Low	52.5	Low	109 Å²	109	73.8 Å²	73.8	90%	0.901	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-2.9	170.5	0	0	0	0	0	113.9
44	S	45.9	Very low	51.9	Low	94 Å²	94	71.3 Å²	71.3	66%	0.657	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	2.2	-172.8	64.5	0	0	0	0	115.7	S42	S42-S44 PolarHBondContact O-N 3.23Å; S42-S44 WeakPolarHBondContact OG-CB 3.17Å; S42-S44 PolarHBondContact OG-N 2.77Å; S42-S44 VanDerWaalsContact OG-N 3.12Å; S42-S44 PolarHBondContact OG-OG 2.88Å
45	G	33.8	Very low	51.1	Low	48 Å²	48	72 Å²	72	50%	0.495	42%	0.419	S	S	.	.	S	Bend	trans	97.1	-172.5	-165.9	0	0	0	0	0	112.7
46	A	36.6	Very low	50.4	Low	79 Å²	79	72.7 Å²	72.7	65%	0.653	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	157.3	-157.1	0	0	0	0	0	116	V48	A46-V48 PolarHBondContact O-N 2.89Å
47	F	46	Very low	49.5	Very low	164 Å²	164	69.9 Å²	69.9	72%	0.719	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	19.7	167.3	-53.2	-68.6	0	0	0	118.9
48	V	40	Very low	48.9	Very low	81 Å²	81	71.7 Å²	71.7	49%	0.491	44%	0.437	S	S	.	.			trans	-115.4	123.5	158.6	-175.9	0	0	0	0	109.9	S42 A46	S42-V48 VanDerWaalsContact CB-O 3.23Å; S42-V48 WeakPolarHBondContact CB-O 3.5Å; S42-V48 PolarHBondContact N-O 2.84Å; A46-V48 PolarHBondContact O-N 2.89Å
49	Y	44.1	Very low	48.3	Very low	52 Å²	52	72.5 Å²	72.5	20%	0.204	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124.9	174	-73	-77.3	0	0	0	110.5	F39 K40 P41 A51 L78	F39-Y49 VanDerWaalsContact C-CD1 3.49Å; F39-Y49 HydrophobicContact CB-CD1 3.62Å; F39-Y49 HydrophobicContact CB-CD2 4.41Å; F39-Y49 HydrophobicContact CB-CE1 4.21Å; F39-Y49 HydrophobicContact CB-CG 3.74Å; F39-Y49 HydrophobicContact CD1-CG 4.28Å; F39-Y49 HydrophobicContact CG-CG 4.36Å; K40-Y49 VanDerWaalsContact C-CD1 3.47Å; K40-Y49 CarbonylContact O-C 3.54Å; K40-Y49 VanDerWaalsContact O-CA 3.26Å; K40-Y49 WeakPolarHBondContact O-CA 3.36Å; P41-Y49 HydrophobicContact CB-CE1 4.39Å; Y49-A51 PolarHBondContact O-N 2.79Å; Y49-L78 HydrophobicContact CE1-CB 4.43Å; Y49-L78 HydrophobicContact CE1-CD2 4.29Å; Y49-L78 HydrophobicContact CE2-CB 3.78Å
50	D	40.5	Very low	47.5	Very low	104 Å²	104	80.8 Å²	80.8	56%	0.556	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	122.4	178.8	-92.8	-37.3	0	0	0	111.2	K40 L52	K40-D50 PolarHBondContact O-N 3.47Å; D50-L52 PolarHBondContact O-N 3.08Å
51	A	45.6	Very low	46.9	Very low	41 Å²	41	77.5 Å²	77.5	34%	0.339	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	109.5	-175.2	0	0	0	0	0	112.3	Y49 A73 A74	Y49-A51 PolarHBondContact O-N 2.79Å; A51-A73 HydrophobicContact CB-CB 3.81Å; A51-A74 VanDerWaalsContact CB-O 3.31Å; A51-A74 WeakPolarHBondContact CB-O 3.37Å
52	L	49.6	Very low	46.2	Very low	58 Å²	58	76.9 Å²	76.9	30%	0.304	49%	0.494	S	S	.	.			trans	-75.4	132	177.7	-76.5	163	0	0	0	112.1	E37 K40 D50 I54	E37-L52 WeakPolarHBondContact O-CD1 3.06Å; K40-L52 HydrophobicContact CD-CD1 3.99Å; K40-L52 HydrophobicContact CG-CD1 4.07Å; D50-L52 PolarHBondContact O-N 3.08Å; L52-I54 PolarHBondContact O-N 3.32Å
53	P	51.1	Low	45.4	Very low	80 Å²	80	78.3 Å²	78.3	52%	0.519	51%	0.514	S	S	.	.			trans	-78.9	93.8	-169.7	30	-35.7	0	0	0	112.9	T55 T71	P53-T55 PolarHBondContact O-N 2.84Å; P53-T55 VanDerWaalsContact O-N 3.08Å; P53-T55 PolarHBondContact O-OG1 2.81Å; P53-T71 HydrophobicContact CB-CG2 3.66Å
54	I	55.9	Low	44.7	Very low	8 Å²	8	83.2 Å²	83.2	4%	0.041	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	116.3	172	-56.7	174.1	0	0	0	108.7	F14 F33 L38 L52 F56 T71 F72	F14-I54 HydrophobicContact CD2-CD1 3.77Å; F14-I54 HydrophobicContact CE1-CD1 4.3Å; F14-I54 HydrophobicContact CE2-CD1 3.41Å; F14-I54 VanDerWaalsContact CE2-CD1 3.41Å; F14-I54 HydrophobicContact CG-CD1 4.34Å; F14-I54 HydrophobicContact CZ-CD1 3.7Å; F33-I54 HydrophobicContact CE2-CD1 4.08Å; F33-I54 HydrophobicContact CE2-CG1 3.96Å; F33-I54 HydrophobicContact CE2-CG2 3.96Å; F33-I54 HydrophobicContact CZ-CG1 4.23Å; F33-I54 HydrophobicContact CZ-CG2 4.18Å; L38-I54 HydrophobicContact CD2-CD1 3.9Å; L38-I54 HydrophobicContact CD2-CG1 4.04Å; L52-I54 PolarHBondContact O-N 3.32Å; I54-F56 HydrophobicContact CG2-CD2 4.33Å; I54-F56 HydrophobicContact CG2-CE2 3.86Å; I54-F56 HydrophobicContact CG2-CZ 4.34Å; I54-T71 WeakPolarHBondContact O-CA 3.41Å; I54-F72 PolarHBondContact N-O 2.85Å; I54-F72 PolarHBondContact O-N 2.92Å
55	T	53.7	Low	44.4	Very low	57 Å²	57	82.5 Å²	82.5	35%	0.35	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	116	-179.2	-67.3	0	0	0	0	109.8	P53 T57 K69	P53-T55 PolarHBondContact O-N 2.84Å; P53-T55 VanDerWaalsContact O-N 3.08Å; P53-T55 PolarHBondContact O-OG1 2.81Å; T55-T57 HydrophobicContact CG2-CG2 4.21Å; T55-K69 HydrophobicContact CG2-CD 3.94Å; T55-K69 VanDerWaalsContact CG2-CE 3.49Å; T55-K69 HydrophobicContact CG2-CG 4.19Å; T55-K69 VanDerWaalsContact OG1-CE 3.31Å; T55-K69 WeakPolarHBondContact OG1-CE 3.3Å; T55-K69 PolarHBondContact OG1-NZ 3.32Å
56	F	54.1	Low	44.6	Very low	16 Å²	16	88.7 Å²	88.7	7%	0.07	54%	0.536	C	S	.	.			trans	-85.3	133.8	167.9	-67.1	-90.2	0	0	0	110.2	F14 L16 A29 C31 I54 V59 F70 F72	F14-F56 HydrophobicContact CB-CZ 4.38Å; L16-F56 HydrophobicContact CB-CE1 4.49Å; A29-F56 HydrophobicContact CB-CD1 3.7Å; A29-F56 HydrophobicContact CB-CE1 4.01Å; C31-F56 HydrophobicContact CB-CE1 4.41Å; C31-F56 VanDerWaalsContact SG-CE1 3.59Å; C31-F56 WeakPolarHBondContact SG-CZ 3.41Å; I54-F56 HydrophobicContact CG2-CD2 4.33Å; I54-F56 HydrophobicContact CG2-CE2 3.86Å; I54-F56 HydrophobicContact CG2-CZ 4.34Å; F56-V59 HydrophobicContact CB-CG2 3.97Å; F56-F70 HydrophobicContact CD2-CB 4.39Å; F56-F72 HydrophobicContact CD2-CD2 4.32Å; F56-F72 AromaticContact CD2-CE2 3.95Å; F56-F72 HydrophobicContact CD2-CE2 3.95Å; F56-F72 AromaticContact CE2-CD2 3.98Å; F56-F72 HydrophobicContact CE2-CD2 3.98Å; F56-F72 AromaticContact CE2-CE2 3.73Å; F56-F72 HydrophobicContact CE2-CE2 3.73Å
57	T	47.7	Very low	45	Very low	109 Å²	109	95.7 Å²	95.7	67%	0.669	55%	0.546	S	S	*	.			trans	-123.5	158.7	170.8	48.2	0	0	0	0	109.6	T55 V59	T55-T57 HydrophobicContact CG2-CG2 4.21Å; T57-V59 PolarHBondContact O-N 2.61Å
58	N	50.1	Low	44.9	Very low	136 Å²	136	91.7 Å²	91.7	73%	0.727	53%	0.534	S	S	*	.			trans	53.9	42	-178	-64.6	-0.1	0	0	0	115.4	E60	N58-E60 PolarHBondContact O-N 3.13Å
59	V	51.4	Low	45.2	Very low	19 Å²	19	94.3 Å²	94.3	12%	0.115	54%	0.539	C	S	.	.			trans	-76.9	104.2	167.2	-176	0	0	0	0	108.9	L16 I28 A29 F56 T57 G61	L16-V59 HydrophobicContact CD2-CG1 3.8Å; L16-V59 HydrophobicContact CD2-CG2 3.83Å; I28-V59 HydrophobicContact CB-CG1 4.02Å; I28-V59 HydrophobicContact CD1-CG1 4.2Å; I28-V59 HydrophobicContact CG2-CG1 3.61Å; A29-V59 HydrophobicContact CB-CG2 4.49Å; F56-V59 HydrophobicContact CB-CG2 3.97Å; T57-V59 PolarHBondContact O-N 2.61Å; V59-G61 PolarHBondContact O-N 3.07Å
60	E	44	Very low	45.3	Very low	182 Å²	182	95.5 Å²	95.5	85%	0.85	55%	0.545	S	S	*	.			trans	-78.7	81.9	178.6	-67.4	-152.3	134.5	0	0	112.2	N58	N58-E60 PolarHBondContact O-N 3.13Å
61	G	43.8	Very low	45.6	Very low	53 Å²	53	94.4 Å²	94.4	55%	0.546	54%	0.542	S	S	.	.			trans	-73	123.8	167.4	0	0	0	0	0	111.6	V59 G63	V59-G61 PolarHBondContact O-N 3.07Å; G61-G63 PolarHBondContact O-N 3.3Å
62	G	35.1	Very low	45.7	Very low	91 Å²	91	96.1 Å²	96.1	94%	0.938	54%	0.542	S	S	*	.	S	Bend	trans	-58.6	117.8	-178.8	0	0	0	0	0	113.4
63	G	33.3	Very low	45.6	Very low	63 Å²	63	96.1 Å²	96.1	65%	0.649	55%	0.551	S	S	*	*	S	Bend	trans	122.9	87.9	175.1	0	0	0	0	0	114.8	G61	G61-G63 PolarHBondContact O-N 3.3Å
64	K	36.9	Very low	45.6	Very low	212 Å²	212	92.7 Å²	92.7	92%	0.922	53%	0.529	S	S	*	.	S	Bend	trans	51.5	62.2	166.9	-65.5	-173.1	176	-178.4	0	115.9	K66	K64-K66 PolarHBondContact O-N 2.83Å
65	G	38.9	Very low	45.3	Very low	79 Å²	79	94.8 Å²	94.8	81%	0.814	54%	0.544	S	S	*	.			trans	70.2	20.5	141.3	0	0	0	0	0	118.7	R67	G65-R67 PolarHBondContact O-N 2.85Å
66	K	38.6	Very low	45.2	Very low	179 Å²	179	92.9 Å²	92.9	78%	0.778	54%	0.536	S	S	*	.			trans	-87.5	104.3	176.5	-71.7	-175.8	177.8	179.2	0	111.7	K64 V68	K64-K66 PolarHBondContact O-N 2.83Å; K66-V68 PolarHBondContact O-N 2.92Å
67	R	44.2	Very low	45.1	Very low	226 Å²	226	95.9 Å²	95.9	85%	0.853	55%	0.553	S	S	*	*			trans	-66	120.2	168	-78.1	179.2	-83	-178.4	-6.3	110.2	G65	G65-R67 PolarHBondContact O-N 2.85Å
68	V	43.2	Very low	45.2	Very low	79 Å²	79	91.9 Å²	91.9	48%	0.479	53%	0.527	S	S	.	.			trans	-107.7	131.3	173.6	-177.4	0	0	0	0	108.9	K66 F70	K66-V68 PolarHBondContact O-N 2.92Å; V68-F70 HydrophobicContact CB-CE2 4.15Å; V68-F70 HydrophobicContact CB-CZ 4.43Å; V68-F70 HydrophobicContact CG1-CD2 4.26Å; V68-F70 HydrophobicContact CG1-CE1 4.16Å; V68-F70 HydrophobicContact CG1-CE2 3.71Å; V68-F70 HydrophobicContact CG1-CZ 3.65Å
69	K	46.9	Very low	45.2	Very low	137 Å²	137	89.1 Å²	89.1	60%	0.596	51%	0.512	S	S	*	.			trans	-100.1	116.3	171.7	172.6	167.9	175.1	158.2	0	109.4	T55 T71	T55-K69 HydrophobicContact CG2-CD 3.94Å; T55-K69 VanDerWaalsContact CG2-CE 3.49Å; T55-K69 HydrophobicContact CG2-CG 4.19Å; T55-K69 VanDerWaalsContact OG1-CE 3.31Å; T55-K69 WeakPolarHBondContact OG1-CE 3.3Å; T55-K69 PolarHBondContact OG1-NZ 3.32Å; K69-T71 WeakPolarHBondContact CE-OG1 3.22Å
70	F	46.2	Very low	45	Very low	76 Å²	76	92.5 Å²	92.5	33%	0.333	53%	0.532	S	S	.	.			trans	-89.1	147.1	164.4	-60.1	-82	0	0	0	109.8	L16 F56 V68 F72	L16-F70 HydrophobicContact CD2-CD2 4.03Å; L16-F70 HydrophobicContact CD2-CE2 3.99Å; F56-F70 HydrophobicContact CD2-CB 4.39Å; V68-F70 HydrophobicContact CB-CE2 4.15Å; V68-F70 HydrophobicContact CB-CZ 4.43Å; V68-F70 HydrophobicContact CG1-CD2 4.26Å; V68-F70 HydrophobicContact CG1-CE1 4.16Å; V68-F70 HydrophobicContact CG1-CE2 3.71Å; V68-F70 HydrophobicContact CG1-CZ 3.65Å; F70-F72 HydrophobicContact CB-CD2 4.43Å; F70-F72 HydrophobicContact CB-CE2 3.64Å; F70-F72 HydrophobicContact CB-CZ 4.02Å; F70-F72 HydrophobicContact CD1-CZ 4.47Å; F70-F72 HydrophobicContact CG-CE2 4.48Å; F70-F72 HydrophobicContact CG-CZ 4.49Å
71	T	48	Very low	44.9	Very low	81 Å²	81	88.4 Å²	88.4	50%	0.497	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	121.1	175.3	-54.6	0	0	0	0	108.1	P53 I54 K69	P53-T71 HydrophobicContact CB-CG2 3.66Å; I54-T71 WeakPolarHBondContact O-CA 3.41Å; K69-T71 WeakPolarHBondContact CE-OG1 3.22Å
72	F	47.5	Very low	44.6	Very low	77 Å²	77	94.3 Å²	94.3	34%	0.338	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	145.3	-178.2	-59.9	-80.9	0	0	0	111.1	M1 I54 F56 F70	M1-F72 HydrophobicContact CE-CB 4.24Å; M1-F72 HydrophobicContact CE-CG 4.39Å; I54-F72 PolarHBondContact N-O 2.85Å; I54-F72 PolarHBondContact O-N 2.92Å; F56-F72 HydrophobicContact CD2-CD2 4.32Å; F56-F72 AromaticContact CD2-CE2 3.95Å; F56-F72 HydrophobicContact CD2-CE2 3.95Å; F56-F72 AromaticContact CE2-CD2 3.98Å; F56-F72 HydrophobicContact CE2-CD2 3.98Å; F56-F72 AromaticContact CE2-CE2 3.73Å; F56-F72 HydrophobicContact CE2-CE2 3.73Å; F70-F72 HydrophobicContact CB-CD2 4.43Å; F70-F72 HydrophobicContact CB-CE2 3.64Å; F70-F72 HydrophobicContact CB-CZ 4.02Å; F70-F72 HydrophobicContact CD1-CZ 4.47Å; F70-F72 HydrophobicContact CG-CE2 4.48Å; F70-F72 HydrophobicContact CG-CZ 4.49Å
73	A	47.7	Very low	44.5	Very low	58 Å²	58	95.3 Å²	95.3	48%	0.479	53%	0.529	S	S	.	.			trans	-104.1	140.7	167.7	0	0	0	0	0	110	M1 A51	M1-A73 PolarHBondContact N-O 2.86Å; A51-A73 HydrophobicContact CB-CB 3.81Å
74	A	50.7	Low	44.5	Very low	8 Å²	8	98.4 Å²	98.4	7%	0.066	54%	0.538	C	S	.	.			trans	-115.6	135	173.7	0	0	0	0	0	109.7	M1 F39 A51	M1-A74 WeakPolarHBondContact O-CA 3.47Å; F39-A74 HydrophobicContact CE1-CB 4.25Å; F39-A74 HydrophobicContact CZ-CB 4.37Å; A51-A74 VanDerWaalsContact CB-O 3.31Å; A51-A74 WeakPolarHBondContact CB-O 3.37Å
75	C	48.3	Very low	44.3	Very low	52 Å²	52	94.6 Å²	94.6	35%	0.351	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	139.6	175.2	-60.8	0	0	0	0	108.8	M1 F2 C3	M1-C75 PolarHBondContact O-N 3.4Å; F2-C75 WeakPolarHBondContact CA-O 3.06Å; F2-C75 HydrophobicContact CD1-CB 4.01Å; F2-C75 HydrophobicContact CE1-CB 3.78Å; F2-C75 HydrophobicContact CZ-CB 4.22Å; C3-C75 PolarHBondContact N-O 2.9Å
76	G	53.5	Low	44	Very low	17 Å²	17	96 Å²	96	18%	0.175	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.1	170.6	-176.9	0	0	0	0	0	113.1	C3	C3-G76 WeakPolarHBondContact O-CA 3.22Å
77	N	52	Low	43.6	Very low	80 Å²	80	91.9 Å²	91.9	43%	0.428	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	134.4	-177.2	-67.3	-14.8	0	0	0	111.4	S5 V6	S5-N77 WeakPolarHBondContact CA-O 3.24Å; V6-N77 PolarHBondContact N-O 2.79Å
78	L	49.3	Very low	43	Very low	24 Å²	24	87.2 Å²	87.2	13%	0.126	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	127.9	-179.7	-162.2	71.1	0	0	0	110.5	V6 E8 A35 F39 Y49	V6-L78 CarbonylContact O-C 3.57Å; V6-L78 WeakPolarHBondContact O-CA 3.21Å; E8-L78 HydrophobicContact CB-CD1 4.47Å; E8-L78 HydrophobicContact CB-CD2 4.46Å; E8-L78 HydrophobicContact CB-CG 4.27Å; E8-L78 HydrophobicContact CG-CD2 4.24Å; A35-L78 HydrophobicContact CB-CD1 3.52Å; F39-L78 HydrophobicContact CD2-CD1 4.02Å; Y49-L78 HydrophobicContact CE1-CB 4.43Å; Y49-L78 HydrophobicContact CE1-CD2 4.29Å; Y49-L78 HydrophobicContact CE2-CB 3.78Å
79	L	50.1	Low	42.3	Very low	79 Å²	79	89.9 Å²	89.9	41%	0.414	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	116.3	174.2	-68.8	177.4	0	0	0	111.1	S5 V6 R7 E8	S5-L79 WeakPolarHBondContact OG-CD1 3.47Å; S5-L79 WeakPolarHBondContact OG-CG 3.26Å; V6-L79 PolarHBondContact O-N 2.89Å; R7-L79 WeakPolarHBondContact CA-O 3.28Å; E8-L79 PolarHBondContact N-O 3.3Å
80	V	47.2	Very low	41.5	Very low	90 Å²	90	88.1 Å²	88.1	55%	0.545	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-89.8	145	174.5	179.9	0	0	0	0	109.6
81	S	40.9	Very low	40.6	Very low	95 Å²	95	90.2 Å²	90.2	66%	0.664	55%	0.554	S	S	*	*			trans	-143.4	123.6	-178.9	60.8	0	0	0	0	113
82	H	38.3	Very low	39.6	Very low	177 Å²	177	92.5 Å²	92.5	82%	0.819	57%	0.567	S	S	*	*			trans	-133.7	147.9	172.9	-70.1	-6.8	0	0	0	110.2
83	S	33.5	Very low	38.5	Very low	113 Å²	113	97.7 Å²	97.7	79%	0.79	59%	0.592	S	S	*	*			trans	-160.9	146.6	-177.1	57	0	0	0	0	110.8
84	P	33.6	Very low	37.7	Very low	127 Å²	127	102.7 Å²	102.7	83%	0.825	61%	0.61	S	S	*	*				-142.4	172.6	111.3	35.2	-19.5	0	0	0	115.4
85	T	32	Very low	36.8	Very low	133 Å²	133	108.4 Å²	108.4	82%	0.816	65%	0.647	S	S	*	*			trans	-87.4	174.4	178.9	46.3	0	0	0	0	112.5
86	P	32.7	Very low	35.8	Very low	108 Å²	108	112.1 Å²	112.1	70%	0.701	67%	0.667	S	S	*	*			cis	-153.1	173	28.7	43.8	-21.4	0	0	0	122.2
87	S	30	Very low	34.8	Very low	93 Å²	93	119.2 Å²	119.2	65%	0.65	70%	0.701	S	S	*	*			trans	65.5	118.4	139.3	63.6	0	0	0	0	125.3
88	T	31.9	Very low	33.6	Very low	128 Å²	128	122.8 Å²	122.8	79%	0.785	72%	0.719	S	S	*	*			trans	59.6	145.4	133.7	57.5	0	0	0	0	120.9
89	D	28.4	Very low	32.7	Very low	135 Å²	135	125.1 Å²	125.1	72%	0.722	75%	0.75	S	S	*	*			cis	-160.6	160.2	7.8	-146.4	-53.3	0	0	0	112.1
90	S	29.6	Very low	31.6	Very low	99 Å²	99	129.4 Å²	129.4	69%	0.692	77%	0.767	S	S	*	*			trans	53.8	163	150.3	-77.4	0	0	0	0	122.7
91	T	27	Very low	30.9	Very low	121 Å²	121	133.4 Å²	133.4	74%	0.742	78%	0.78	S	S	*	*			cis	-161.1	140.9	-27.9	-91.3	0	0	0	0	110.9
92	V	27.1	Very low	30.4	Very low	128 Å²	128	137.6 Å²	137.6	78%	0.776	79%	0.789	S	S	*	*			trans	-14.5	136.2	166.4	-169.8	0	0	0	0	120.7
93	Q	25.7	Very low	30.5	Very low	186 Å²	186	134.8 Å²	134.8	87%	0.869	79%	0.787	S	S	*	*				180	156.4	119.5	-98.6	-173	10.7	0	0	116.6
94	L	29.6	Very low	30.4	Very low	163 Å²	163	133.2 Å²	133.2	85%	0.853	79%	0.789	S	S	*	*			trans	-137.4	152.4	170.9	-85.1	172.7	0	0	0	109.3
95	P	31.2	Very low	30.4	Very low	128 Å²	128	132 Å²	132	83%	0.831	79%	0.789	S	S	*	*			trans	-131.8	159.9	151.1	36.3	-23.5	0	0	0	114.3
96	V	27.6	Very low	30.4	Very low	130 Å²	130	131.5 Å²	131.5	79%	0.788	79%	0.791	S	S	*	*			trans	-111.5	150	177.8	172.6	0	0	0	0	109.8
97	L	32.6	Very low	30.5	Very low	167 Å²	167	130 Å²	130	87%	0.874	80%	0.795	S	S	*	*			trans	-156.2	148.9	155.7	-112.6	169.4	0	0	0	112.2
98	N	27.7	Very low	30.8	Very low	154 Å²	154	132.1 Å²	132.1	82%	0.824	80%	0.804	S	S	*	*			trans	-100.5	161.3	178.2	-69.7	-29.8	0	0	0	111.2
99	G	29.8	Very low	30.9	Very low	74 Å²	74	131.2 Å²	131.2	76%	0.763	80%	0.803	S	S	*	*			trans	177	65.8	175.2	0	0	0	0	0	118.1
100	E	27.5	Very low	31.9	Very low	168 Å²	168	129.7 Å²	129.7	79%	0.785	80%	0.8	S	S	*	*			trans	39.2	148.6	142.9	-82.9	-170	81.2	0	0	126.7
101	Q	31.9	Very low	32.3	Very low	174 Å²	174	131.4 Å²	131.4	81%	0.813	80%	0.802	S	S	*	*			trans	88.9	155.2	147.8	-74.6	167.2	38.4	0	0	122.1
102	Q	29.9	Very low	32.8	Very low	183 Å²	183	133.9 Å²	133.9	86%	0.855	80%	0.802	S	S	*	*			trans	-138.8	-176.4	-157.3	-106.8	-172.4	-6.2	0	0	108.9
103	P	40.5	Very low	33.3	Very low	119 Å²	119	133.8 Å²	133.8	77%	0.773	80%	0.802	S	S	*	*			cis	-130.5	-175.8	-33.6	36.5	-19.5	0	0	0	112.1
104	G	32.5	Very low	33.9	Very low	80 Å²	80	130.8 Å²	130.8	83%	0.825	80%	0.796	S	S	*	*			trans	-163	137.9	173.3	0	0	0	0	0	116.4
105	A	32.7	Very low	34.2	Very low	101 Å²	101	129.4 Å²	129.4	84%	0.835	79%	0.789	S	S	*	*			trans	-80.3	171.6	179.7	0	0	0	0	0	112.6
106	S	32.4	Very low	34.5	Very low	123 Å²	123	127.8 Å²	127.8	86%	0.86	78%	0.781	S	S	*	*			cis	-171.9	158.3	-2.8	32.4	0	0	0	0	109.9
107	G	35	Very low	34.9	Very low	76 Å²	76	127 Å²	127	78%	0.784	78%	0.777	S	S	*	*			trans	-172.4	91.4	174	0	0	0	0	0	119
108	V	35.4	Very low	35	Very low	137 Å²	137	127 Å²	127	83%	0.83	78%	0.776	S	S	*	*			trans	-5.8	124.8	154.3	-171.1	0	0	0	0	117.5
109	S	34.9	Very low	35.4	Very low	109 Å²	109	123.8 Å²	123.8	76%	0.762	77%	0.771	S	S	*	*				76.2	159.9	57.8	-84.2	0	0	0	0	116.8
110	P	48.8	Very low	35.6	Very low	103 Å²	103	125.8 Å²	125.8	67%	0.669	77%	0.773	S	S	*	*			cis	-142.1	-159.2	-35.5	41.8	-23.1	0	0	0	114.1
111	N	38.8	Very low	36.1	Very low	135 Å²	135	124 Å²	124	72%	0.722	78%	0.776	S	S	*	*			trans	108.8	142	168.4	-65.6	-72.4	0	0	0	115.3
112	K	38.4	Very low	36.8	Very low	173 Å²	173	122.4 Å²	122.4	75%	0.752	78%	0.778	S	S	*	*			cis	-152.7	135.9	4.1	-116.9	168.2	-178.2	-179.5	0	108.6
113	V	37	Very low	37.1	Very low	127 Å²	127	120.9 Å²	120.9	77%	0.77	78%	0.775	S	S	*	*				61.7	128.4	98.8	169	0	0	0	0	114.2
114	V	38.1	Very low	37	Very low	123 Å²	123	120.7 Å²	120.7	75%	0.745	77%	0.774	S	S	*	*			cis	-176.6	173.3	-6.2	77.7	0	0	0	0	107.7
115	D	35.8	Very low	37.7	Very low	134 Å²	134	122.9 Å²	122.9	72%	0.717	77%	0.774	S	S	*	*			cis	-162.8	177.8	-2.3	-150	-22	0	0	0	111.3
116	S	36.9	Very low	37.9	Very low	94 Å²	94	125.8 Å²	125.8	66%	0.657	78%	0.776	S	S	*	*			trans	71.7	140.7	150.8	71.8	0	0	0	0	121.5
117	T	36.8	Very low	38.2	Very low	114 Å²	114	127.7 Å²	127.7	70%	0.699	78%	0.776	S	S	*	*			cis	-166.2	139.9	-12.9	20.4	0	0	0	0	112.7
118	I	35.4	Very low	38.1	Very low	165 Å²	165	129.1 Å²	129.1	85%	0.846	77%	0.769	S	S	*	*			trans	66.7	140.1	139.6	-64.6	167.1	0	0	0	118.4
119	A	36.1	Very low	38.2	Very low	88 Å²	88	128.5 Å²	128.5	73%	0.727	77%	0.771	S	S	*	*			cis	-137.6	177	13.7	0	0	0	0	0	114.2
120	S	33.4	Very low	38	Very low	116 Å²	116	131.5 Å²	131.5	81%	0.811	77%	0.773	S	S	*	*			trans	-135.5	163.9	179	-59	0	0	0	0	111.8
121	P	38.8	Very low	37.3	Very low	129 Å²	129	136.1 Å²	136.1	84%	0.838	79%	0.786	S	S	*	*			trans	-83.5	-179.5	-174.3	35.3	-37.2	0	0	0	114.3
122	V	45.8	Very low	36.9	Very low	141 Å²	141	135.4 Å²	135.4	86%	0.855	79%	0.786	S	S	*	*			trans	-133.5	140.6	-176.5	178.8	0	0	0	0	111.4
123	D	36.6	Very low	36.8	Very low	151 Å²	151	133.3 Å²	133.3	81%	0.807	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-83.1	163.2	-176.3	-70.3	-65	0	0	0	115.6
124	P	37.3	Very low	36.6	Very low	115 Å²	115	131.1 Å²	131.1	75%	0.747	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-92.4	156.9	178.2	37	-35.6	0	0	0	114.2
125	P	48.1	Very low	36.5	Very low	126 Å²	126	133.7 Å²	133.7	82%	0.818	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-93.3	132.6	170.4	34.6	-31	0	0	0	113
126	N	35.7	Very low	36.3	Very low	163 Å²	163	135.7 Å²	135.7	87%	0.872	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-75.1	150.6	159.7	-99.3	-24.2	0	0	0	110.4
127	N	39.7	Very low	36.2	Very low	163 Å²	163	134.8 Å²	134.8	87%	0.872	79%	0.785	S	S	*	*			trans	-147	152.2	147.1	-156.1	4.1	0	0	0	111.1
128	V	32.5	Very low	36	Very low	106 Å²	106	135.4 Å²	135.4	64%	0.642	79%	0.789	S	S	*	*			trans	-111.3	142.3	-167.5	175.8	0	0	0	0	111	Q130	V128-Q130 HydrophobicContact CG1-CG 4.34Å
129	S	37.2	Very low	35.7	Very low	123 Å²	123	133 Å²	133	86%	0.86	79%	0.787	S	S	*	*			trans	-144	132.3	154.6	-70.2	0	0	0	0	108.3
130	Q	30.5	Very low	35.6	Very low	173 Å²	173	134.8 Å²	134.8	81%	0.808	79%	0.794	S	S	*	*			trans	-97.1	144.6	-179.8	-59.3	168.2	-83.1	0	0	109.5	V128	V128-Q130 HydrophobicContact CG1-CG 4.34Å
131	E	35.5	Very low	35.4	Very low	199 Å²	199	137.9 Å²	137.9	93%	0.93	80%	0.795	S	S	*	*			trans	-150.4	147.5	138.9	-122.6	166.3	-155	0	0	109.7
132	T	30.2	Very low	35.5	Very low	120 Å²	120	137.7 Å²	137.7	74%	0.736	79%	0.794	S	S	*	*			trans	-125.2	154.9	-168.8	48.8	0	0	0	0	110
133	V	35.7	Very low	34.9	Very low	129 Å²	129	136.2 Å²	136.2	78%	0.782	79%	0.788	S	S	*	*			trans	173	130.8	132.5	146.9	0	0	0	0	112
134	S	33.7	Very low	34.5	Very low	81 Å²	81	135.8 Å²	135.8	57%	0.566	79%	0.79	S	S	*	*			trans	37.7	129.7	152.2	77.4	0	0	0	0	123.7
135	E	34.4	Very low	34.4	Very low	177 Å²	177	135.7 Å²	135.7	83%	0.827	79%	0.787	S	S	*	*				54.3	149.3	110.9	-56.3	158.4	177.5	0	0	120.1
136	E	33.3	Very low	33.5	Very low	177 Å²	177	135.2 Å²	135.2	83%	0.827	78%	0.784	S	S	*	*			cis	-159.6	175.5	-4.8	-128.2	-170.3	167.3	0	0	111.1
137	A	33.7	Very low	33.5	Very low	75 Å²	75	135 Å²	135	62%	0.62	78%	0.781	S	S	*	*			trans	62.2	119.2	147.8	0	0	0	0	0	124
138	T	32.1	Very low	33.2	Very low	127 Å²	127	138 Å²	138	78%	0.779	78%	0.78	S	S	*	*			trans	62.5	109.5	132.8	59.3	0	0	0	0	123.6
139	S	30.3	Very low	32.9	Very low	114 Å²	114	138.9 Å²	138.9	80%	0.797	79%	0.786	S	S	*	*			trans	30.4	116.8	132.1	62.2	0	0	0	0	122.6
140	S	33.7	Very low	32.8	Very low	125 Å²	125	142.6 Å²	142.6	87%	0.874	79%	0.787	S	S	*	*			trans	-167.3	168.5	132.4	49.1	0	0	0	0	111.5
141	E	28.9	Very low	32.9	Very low	181 Å²	181	143.2 Å²	143.2	85%	0.846	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-73	152.2	-174.3	-58	165.9	108	0	0	114.5
142	P	41	Very low	33	Very low	125 Å²	125	143.8 Å²	143.8	81%	0.812	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-84.6	132.3	161	33.4	-30.6	0	0	0	111.6
143	P	33.8	Very low	33.2	Very low	111 Å²	111	148.2 Å²	148.2	72%	0.721	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-96.4	167	-169	37.2	-37.8	0	0	0	115.5
144	V	28.1	Very low	32.9	Very low	142 Å²	142	146.9 Å²	146.9	86%	0.861	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-75.7	128.4	168.6	176.6	0	0	0	0	111.2
145	V	34.7	Very low	32.9	Very low	113 Å²	113	147.5 Å²	147.5	69%	0.685	81%	0.81	S	S	*	*			trans	-141.8	122.8	169.5	-173.8	0	0	0	0	111.6
146	P	29.3	Very low	32.9	Very low	115 Å²	115	145.1 Å²	145.1	75%	0.747	81%	0.808	S	S	*	*			trans	-100.5	144.2	178.3	36.3	-32.5	0	0	0	113.7
147	I	34.4	Very low	33	Very low	158 Å²	158	143.3 Å²	143.3	81%	0.81	81%	0.809	S	S	*	*			trans	-131.9	87	174.5	-52.6	-175.9	0	0	0	113.4
148	R	33.6	Very low	32.9	Very low	226 Å²	226	147.3 Å²	147.3	85%	0.853	82%	0.82	S	S	*	*				29.9	115.8	122.9	-153.3	174.2	-164	166	5.2	118.8
149	T	27	Very low	33.2	Very low	126 Å²	126	146 Å²	146	77%	0.773	82%	0.822	S	S	*	*			trans	-66.6	158.5	169.5	49.3	0	0	0	0	114
150	K	35.7	Very low	33.4	Very low	201 Å²	201	144.9 Å²	144.9	87%	0.874	82%	0.82	S	S	*	*			trans	-140.7	114.6	166.5	-76.9	-176.4	178.7	171.8	0	111.4
151	H	32.1	Very low	33.6	Very low	185 Å²	185	146.5 Å²	146.5	86%	0.856	81%	0.811	S	S	*	*			trans	-78.1	151.3	162.8	-72.1	-87.4	0	0	0	111.2
152	K	37	Very low	33.8	Very low	212 Å²	212	145 Å²	145	92%	0.922	80%	0.804	S	S	*	*			trans	-135.7	148.9	154.5	-105.6	-173.4	173.8	-174.7	0	109.8
153	K	33.7	Very low	33.5	Very low	212 Å²	212	144.3 Å²	144.3	92%	0.922	80%	0.801	S	S	*	*			trans	-92.5	158.8	-172.4	-76.8	-177.3	173.4	-179.2	0	113.2
154	A	30.5	Very low	33.4	Very low	102 Å²	102	144.1 Å²	144.1	84%	0.843	80%	0.801	S	S	*	*			trans	-55.5	163	178.7	0	0	0	0	0	117.4
155	A	33.9	Very low	33.5	Very low	93 Å²	93	142.1 Å²	142.1	77%	0.769	79%	0.793	S	S	*	*			trans	-161.2	105.9	141.2	0	0	0	0	0	114.2
156	V	34.4	Very low	33.5	Very low	127 Å²	127	142.3 Å²	142.3	77%	0.77	80%	0.8	S	S	*	*			trans	40.4	124.6	133.4	-169.1	0	0	0	0	121.8
157	T	35.4	Very low	33.6	Very low	140 Å²	140	141.7 Å²	141.7	86%	0.859	80%	0.798	S	S	*	*				-175.9	164.5	120.2	21.8	0	0	0	0	112.5
158	N	32.3	Very low	33.6	Very low	158 Å²	158	139.2 Å²	139.2	85%	0.845	80%	0.795	S	S	*	*			trans	-119.6	145.6	-163.5	-61.2	-31.6	0	0	0	115.2
159	A	36.5	Very low	33.6	Very low	101 Å²	101	133.4 Å²	133.4	84%	0.835	79%	0.789	S	S	*	*			trans	-162.3	134.3	143.4	0	0	0	0	0	108.4
160	A	34.6	Very low	34.2	Very low	90 Å²	90	134.9 Å²	134.9	74%	0.744	79%	0.792	S	S	*	*			cis	118.7	138.4	2.6	0	0	0	0	0	113.2
161	K	37.7	Very low	34.3	Very low	158 Å²	158	132.6 Å²	132.6	69%	0.687	79%	0.789	S	S	*	*			trans	81.1	114	177.6	-59.5	-169.5	152.9	-72.5	0	115.7
162	E	34.5	Very low	34.3	Very low	150 Å²	150	126.8 Å²	126.8	70%	0.701	78%	0.78	S	S	*	*				86.5	137.3	86.9	-72.3	151.8	-158	0	0	111.7
163	C	33.4	Very low	34.2	Very low	110 Å²	110	122.5 Å²	122.5	74%	0.743	77%	0.774	S	S	*	*			cis	-152.2	165.7	22.4	-125.8	0	0	0	0	115.2
164	C	32	Very low	34.4	Very low	108 Å²	108	119.4 Å²	119.4	73%	0.73	77%	0.772	S	S	*	*			trans	-3	140.8	147.2	-63.7	0	0	0	0	119.9
165	S	30.2	Very low	34.4	Very low	99 Å²	99	122.9 Å²	122.9	69%	0.692	77%	0.771	S	S	*	*			cis	107.5	151.8	27.8	72.2	0	0	0	0	113.9
166	S	34.5	Very low	34.5	Very low	117 Å²	117	125.1 Å²	125.1	82%	0.818	77%	0.77	S	S	*	*			trans	79.4	153.4	-179.5	82.6	0	0	0	0	116.1
167	S	32.1	Very low	34.5	Very low	102 Å²	102	124.8 Å²	124.8	71%	0.713	77%	0.768	S	S	*	*			cis	-172.3	176.3	-21.7	49.3	0	0	0	0	111.3
168	S	34.6	Very low	34.2	Very low	107 Å²	107	125.8 Å²	125.8	75%	0.748	77%	0.768	S	S	*	*			trans	69.5	134.7	176	67.4	0	0	0	0	116.6
169	S	33.8	Very low	34.3	Very low	104 Å²	104	124 Å²	124	73%	0.727	77%	0.769	S	S	*	*			cis	97	111.3	16.7	81	0	0	0	0	116.1
170	N	38.5	Very low	33.9	Very low	157 Å²	157	128.3 Å²	128.3	84%	0.84	78%	0.776	S	S	*	*			trans	166.7	157.3	154.5	-90.4	2.2	0	0	0	108.1
171	D	38.3	Very low	33.8	Very low	152 Å²	152	127.4 Å²	127.4	81%	0.813	78%	0.776	S	S	*	*			cis	-165.1	167	-38.8	-151.5	-18.5	0	0	0	108.1
172	G	32.9	Very low	33.3	Very low	64 Å²	64	127.6 Å²	127.6	66%	0.66	79%	0.785	S	S	*	*			trans	107.3	108.1	162.1	0	0	0	0	0	118
173	P	34.2	Very low	33	Very low	122 Å²	122	126.6 Å²	126.6	79%	0.792	79%	0.793	S	S	*	*			trans	-94.2	158.5	165.4	37	-32.6	0	0	0	112.5
174	V	37.6	Very low	32.7	Very low	146 Å²	146	126 Å²	126	89%	0.885	79%	0.79	S	S	*	*			trans	-139.7	121.4	165	-178.6	0	0	0	0	109.7
175	E	31.7	Very low	32.6	Very low	175 Å²	175	125 Å²	125	82%	0.818	78%	0.784	S	S	*	*			trans	-87.1	154.1	170.8	-59.5	172.5	119.2	0	0	111
176	N	34.3	Very low	32.6	Very low	140 Å²	140	130.8 Å²	130.8	75%	0.749	79%	0.791	S	S	*	*			trans	170.6	101.6	141.5	-90.9	-39.8	0	0	0	109.1
177	T	35.1	Very low	32.5	Very low	120 Å²	120	130.8 Å²	130.8	74%	0.736	78%	0.781	S	S	*	*				99.7	136.6	84.5	48.3	0	0	0	0	112.5
178	D	29.7	Very low	32.7	Very low	161 Å²	161	132.7 Å²	132.7	86%	0.861	79%	0.789	S	S	*	*			trans	-63.7	153.3	-175.8	-54.8	-91.2	0	0	0	115.2
179	S	33	Very low	32.5	Very low	122 Å²	122	133.8 Å²	133.8	85%	0.853	79%	0.786	S	S	*	*			trans	-156.7	113.1	155.7	-75.3	0	0	0	0	110.9
180	L	28.7	Very low	32.6	Very low	190 Å²	190	136 Å²	136	100%	0.995	80%	0.795	S	S	*	*			trans	-72.7	133.1	163.1	-77	154.6	0	0	0	108.8
181	G	32.2	Very low	32.1	Very low	72 Å²	72	136.1 Å²	136.1	74%	0.742	79%	0.791	S	S	*	*			trans	-154.1	84.6	-175.5	0	0	0	0	0	113.4
182	D	27.2	Very low	31.9	Very low	161 Å²	161	137.2 Å²	137.2	86%	0.861	79%	0.794	S	S	*	*			trans	-68.9	133.3	163.4	176.2	25.7	0	0	0	109.8
183	C	28.6	Very low	31.7	Very low	129 Å²	129	137.8 Å²	137.8	87%	0.872	79%	0.788	S	S	*	*			trans	-158.3	135.4	170.9	-155.3	0	0	0	0	112.2
184	S	26.7	Very low	31.6	Very low	99 Å²	99	138.5 Å²	138.5	69%	0.692	79%	0.786	S	S	*	*			trans	-127.8	138.3	-167.4	-174.9	0	0	0	0	114.2
185	S	29.9	Very low	31.4	Very low	86 Å²	86	136.7 Å²	136.7	60%	0.601	78%	0.775	S	S	*	*			trans	82.3	151.6	152.2	84.7	0	0	0	0	120.9
186	R	31.4	Very low	31.2	Very low	221 Å²	221	135.1 Å²	135.1	83%	0.834	78%	0.777	S	S	*	*			trans	75.8	145.2	160.5	-59.4	167.4	-164.8	-117	-1.5	116.2
187	L	32.6	Very low	31	Very low	117 Å²	117	134.6 Å²	134.6	61%	0.613	77%	0.774	S	S	*	*			cis	-154.5	157.4	-8	-113.7	163.2	0	0	0	107.2	N189	L187-N189 WeakPolarHBondContact CD2-OD1 3.44Å
188	T	35.2	Very low	30.7	Very low	142 Å²	142	133.8 Å²	133.8	87%	0.871	78%	0.78	S	S	*	*				-158.7	164.6	87.9	36.9	0	0	0	0	113.1
189	N	31.4	Very low	30.8	Very low	129 Å²	129	134.3 Å²	134.3	69%	0.69	78%	0.777	S	S	*	*			trans	-97.9	150	-172.2	-58.1	-32	0	0	0	113.7	L187	L187-N189 WeakPolarHBondContact CD2-OD1 3.44Å
190	T	34.9	Very low	30.6	Very low	150 Å²	150	140.2 Å²	140.2	92%	0.92	78%	0.781	S	S	*	*			trans	-130.1	144.9	131.2	39.6	0	0	0	0	109.3
191	H	28.9	Very low	30.5	Very low	161 Å²	161	139.1 Å²	139.1	75%	0.745	78%	0.775	S	S	*	*			trans	-98.5	141.9	-173.3	-123.6	-103.3	0	0	0	110.6
192	I	33.2	Very low	30.2	Very low	174 Å²	174	146.5 Å²	146.5	89%	0.892	78%	0.781	S	S	*	*			trans	-158	139.5	132.6	-99.7	152	0	0	0	106.8
193	S	29	Very low	30.2	Very low	76 Å²	76	150.9 Å²	150.9	53%	0.531	79%	0.785	S	S	.	*			trans	-120.5	151.6	177.7	56.5	0	0	0	0	109.8
194	D	33.2	Very low	30.1	Very low	138 Å²	138	150.5 Å²	150.5	74%	0.738	78%	0.778	S	S	*	*				-172.4	121.4	104.3	-92.6	-0.7	0	0	0	114.7
195	V	31.6	Very low	30.1	Very low	108 Å²	108	156.7 Å²	156.7	66%	0.655	79%	0.787	S	S	*	*			trans	51	90.3	136	-169.7	0	0	0	0	117.5	N197	V195-N197 HydrophobicContact CG1-CB 4.1Å
196	T	27.5	Very low	30	Very low	142 Å²	142	161.3 Å²	161.3	87%	0.871	80%	0.798	S	S	*	*			trans	-63.5	134.5	143.2	52.1	0	0	0	0	110.2
197	N	30.5	Very low	29.6	Very low	128 Å²	128	156.2 Å²	156.2	68%	0.684	79%	0.791	S	S	*	*			trans	-145.8	102.3	166.6	-132.8	-37.9	0	0	0	112.3	V195	V195-N197 HydrophobicContact CG1-CB 4.1Å
198	A	29.7	Very low	29.5	Very low	104 Å²	104	158 Å²	158	86%	0.86	80%	0.8	S	S	*	*			trans	-92.7	100.5	179.5	0	0	0	0	0	110.6
199	Q	31.9	Very low	29.2	Very low	172 Å²	172	157.2 Å²	157.2	80%	0.804	80%	0.797	S	S	*	*			trans	-128.6	141.7	170.5	-65.6	-161.5	5.8	0	0	112.5
200	R	28.2	Very low	29.1	Very low	245 Å²	245	156 Å²	156	93%	0.925	80%	0.799	S	S	*	*			trans	-55.4	139.5	177.7	-64.3	164.2	163.5	172.6	-5.9	111.2
201	L	27.1	Very low	29	Very low	167 Å²	167	154.7 Å²	154.7	87%	0.874	80%	0.796	S	S	*	*			trans	-154.3	166.5	140	-110.8	161.5	0	0	0	112.6
202	R	25.9	Very low	29.3	Very low	228 Å²	228	152.7 Å²	152.7	86%	0.86	80%	0.797	S	S	*	*			trans	-93.3	163.6	-155	-65.1	166	172.4	160.2	-4.4	113.2	V204	R202-V204 PolarHBondContact O-N 3.14Å
203	R	27.4	Very low	29.3	Very low	253 Å²	253	153.6 Å²	153.6	96%	0.955	80%	0.8	S	S	*	*			trans	-41.3	126.1	163.2	-70.7	176.5	173.8	170.8	-2.7	111.8
204	V	26.4	Very low	29.3	Very low	120 Å²	120	160.2 Å²	160.2	73%	0.727	82%	0.819	S	S	*	*			trans	-137	138.8	156.8	-179.7	0	0	0	0	108.3	R202	R202-V204 PolarHBondContact O-N 3.14Å
205	R	25.6	Very low	29.2	Very low	230 Å²	230	156.8 Å²	156.8	87%	0.868	82%	0.816	S	S	*	*			trans	-96.1	137.4	166.7	-69.9	172.6	168.5	169	-6.9	108.2
206	H	28.3	Very low	29.1	Very low	182 Å²	182	162.7 Å²	162.7	84%	0.843	83%	0.827	S	S	*	*			trans	-128.1	150.9	166.7	-89.2	6.3	0	0	0	112.1
207	V	23.3	Very low	29.3	Very low	114 Å²	114	161.6 Å²	161.6	69%	0.691	82%	0.816	S	S	*	*			trans	-161.5	128.6	-156	166	0	0	0	0	107.3
208	I	29.3	Very low	29.2	Very low	156 Å²	156	162.1 Å²	162.1	80%	0.8	82%	0.817	S	S	*	*			trans	68.7	156.4	164.9	-73	169.2	0	0	0	113.1
209	P	30.7	Very low	29.2	Very low	124 Å²	124	164.1 Å²	164.1	81%	0.805	81%	0.812	S	S	*	*			cis	-128.7	176.1	22.5	24	1.8	0	0	0	119.2
210	S	28.1	Very low	29	Very low	103 Å²	103	162.3 Å²	162.3	72%	0.72	81%	0.812	S	S	*	*			trans	-100.7	162	177.1	54.7	0	0	0	0	114.4
211	S	33.1	Very low	29	Very low	123 Å²	123	154 Å²	154	86%	0.86	80%	0.803	S	S	*	*			trans	-158	154.6	146.2	-83.9	0	0	0	0	113.3
212	P	35.2	Very low	28.9	Very low	119 Å²	119	155.5 Å²	155.5	77%	0.773	81%	0.805	S	S	*	*			trans	-120.7	170.7	-169.1	42.6	-31.4	0	0	0	115.5
213	M	33.4	Very low	29.1	Very low	193 Å²	193	149.2 Å²	149.2	95%	0.951	80%	0.803	S	S	*	*			trans	-133.9	169.6	161.9	-66.8	-151.7	80.6	0	0	112.1
214	K	29.3	Very low	29.1	Very low	216 Å²	216	142.8 Å²	142.8	94%	0.939	80%	0.796	S	S	*	*			trans	-131	145.1	-164.5	-67.9	177.1	175	176.7	0	114.5
215	G	30.9	Very low	29.2	Very low	66 Å²	66	143.2 Å²	143.2	68%	0.68	80%	0.799	S	S	*	*			trans	176.5	126.3	157.4	0	0	0	0	0	108.1
216	R	30.5	Very low	29.4	Very low	231 Å²	231	142.6 Å²	142.6	87%	0.872	80%	0.797	S	S	*	*				66	122.2	59.9	-74.8	-157.6	169.6	154.6	-3.6	112.1
217	D	31.3	Very low	29.3	Very low	120 Å²	120	140 Å²	140	64%	0.642	80%	0.796	S	S	*	*			cis	-154.3	150.7	15.7	-90.6	-39	0	0	0	116
218	I	28.5	Very low	29.6	Very low	138 Å²	138	138.5 Å²	138.5	71%	0.708	79%	0.79	S	S	*	*			trans	66.4	107.7	136	-59.4	167.2	0	0	0	124
219	I	28.3	Very low	29.9	Very low	147 Å²	147	137.3 Å²	137.3	75%	0.754	79%	0.79	S	S	*	*				32.9	115.9	126.2	-40.2	168.8	0	0	0	119.4
220	T	28.1	Very low	30.1	Very low	133 Å²	133	140.2 Å²	140.2	82%	0.816	79%	0.793	S	S	*	*				-166.8	145.8	84.7	32.6	0	0	0	0	108.1
221	G	27.8	Very low	31.3	Very low	70 Å²	70	139.7 Å²	139.7	72%	0.722	78%	0.779	S	S	*	*				90	124.2	64.7	0	0	0	0	0	110.6
222	E	26.6	Very low	32.6	Very low	199 Å²	199	138.1 Å²	138.1	93%	0.93	76%	0.758	S	S	*	*			cis	-153.9	-174.5	3.4	-66.2	-169.2	113.3	0	0	111.9
223	A	28.9	Very low	34.1	Very low	97 Å²	97	137.2 Å²	137.2	80%	0.802	75%	0.753	S	S	*	*			trans	92.5	92.5	155.6	0	0	0	0	0	122.5
224	S	28.6	Very low	36	Very low	117 Å²	117	130.4 Å²	130.4	82%	0.818	72%	0.72	S	S	*	*			trans	85.9	164.6	132.2	-151	0	0	0	0	122
225	V	27.5	Very low	38.1	Very low	130 Å²	130	121.7 Å²	121.7	79%	0.788	69%	0.685	S	S	*	*			trans	81.4	154.5	174.3	-168.6	0	0	0	0	116.8
226	R	30.2	Very low	40.1	Very low	217 Å²	217	126.7 Å²	126.7	82%	0.819	70%	0.695	S	S	*	*			trans	-63.6	161.9	-171.7	-58.1	170.7	-177.8	178.8	-1	112.1	S228	R226-S228 PolarHBondContact O-N 2.85Å
227	P	26.4	Very low	42.2	Very low	126 Å²	126	117.1 Å²	117.1	82%	0.818	67%	0.669	S	S	*	*			trans	-69.7	78.9	163.5	32.1	-35.4	0	0	0	110.1
228	S	28.5	Very low	44.7	Very low	83 Å²	83	114.7 Å²	114.7	58%	0.58	65%	0.651	S	S	*	*			trans	-59.7	158.6	155.6	51.2	0	0	0	0	109.4	R226 E230	R226-S228 PolarHBondContact O-N 2.85Å; S228-E230 PolarHBondContact O-N 3.27Å
229	V	36.3	Very low	47.4	Very low	132 Å²	132	111 Å²	111	80%	0.8	63%	0.63	S	S	*	*			trans	-50.8	137	155.4	-177.5	0	0	0	0	107.4	E231	V229-E231 VanDerWaalsContact C-N 3.3Å; V229-E231 PolarHBondContact O-N 2.7Å
230	E	35.8	Very low	50.1	Low	185 Å²	185	105.5 Å²	105.5	86%	0.864	61%	0.607	S	S	*	*			trans	-66.2	91.8	-179.8	-71.7	-174.8	155.3	0	0	109.6	S228 E232	S228-E230 PolarHBondContact O-N 3.27Å; E230-E232 PolarHBondContact O-N 2.86Å
231	E	52.2	Low	52.9	Low	92 Å²	92	104.7 Å²	104.7	43%	0.43	59%	0.589	S	S	.	*			trans	-64.4	98.7	-178.8	-85	-148	112.9	0	0	110.2	V229 R248 R262	V229-E231 VanDerWaalsContact C-N 3.3Å; V229-E231 PolarHBondContact O-N 2.7Å; E231-R248 IonicContact OE1-CZ 3.22Å; E231-R248 IonicContact OE1-NH1 3.11Å; E231-R248 PolarHBondContact OE1-NH1 2.94Å; E231-R248 IonicContact OE1-NH2 2.77Å; E231-R248 IonicContact OE2-CZ 2.76Å; E231-R248 IonicContact OE2-NH1 2.72Å; E231-R248 PolarHBondContact OE2-NH1 3.15Å; E231-R248 IonicContact OE2-NH2 3.33Å; E231-R248 PolarHBondContact OE2-NH2 3.03Å; E231-R262 VanDerWaalsContact C-NH2 3.33Å; E231-R262 PolarHBondContact O-NH2 3.1Å; E231-R262 IonicContact OE1-CZ 3.29Å; E231-R262 IonicContact OE1-NH1 3.08Å; E231-R262 PolarHBondContact OE1-NH1 3.47Å; E231-R262 IonicContact OE2-NH1 2.69Å
232	E	61.1	Low	55.6	Low	89 Å²	89	107.4 Å²	107.4	42%	0.416	58%	0.581	S	S	.	*			trans	-38.5	122	-173.7	-163.4	-167.5	162.2	0	0	112.7	E230 L234 R262 S265 V266	E230-E232 PolarHBondContact O-N 2.86Å; E232-L234 PolarHBondContact O-N 2.9Å; E232-R262 PolarHBondContact O-NH2 3.47Å; E232-S265 WeakPolarHBondContact CG-OG 3.37Å; E232-S265 PolarHBondContact OE1-OG 3.39Å; E232-V266 WeakPolarHBondContact OE1-CG2 3.46Å
233	P	66.9	Low	58.1	Low	101 Å²	101	99.6 Å²	99.6	66%	0.656	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-57.9	135	-166.9	21.7	-34	0	0	0	112	S265	P233-S265 PolarHBondContact O-OG 2.71Å
234	L	73.3	Confident	60.1	Low	50 Å²	50	103 Å²	103	26%	0.262	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-58.1	144.8	-179.9	-68.5	175.3	0	0	0	111	E232 W238 A240 Y250 R262 P263	E232-L234 PolarHBondContact O-N 2.9Å; L234-W238 HydrophobicContact CB-CB 4.13Å; L234-A240 HydrophobicContact CD1-CB 4.01Å; L234-Y250 HydrophobicContact CD1-CD1 4.25Å; L234-Y250 HydrophobicContact CD2-CD1 3.96Å; L234-Y250 HydrophobicContact CD2-CE1 4.01Å; L234-R262 HydrophobicContact CD2-CG 4.14Å; L234-P263 HydrophobicContact CD2-CG 4.43Å
235	P	72.7	Confident	62.1	Low	33 Å²	33	105.5 Å²	105.5	21%	0.214	54%	0.54	C	S	.	.	P	Polyproline II helix	trans	-61.2	152.9	177.7	-12.5	24.4	0	0	0	111.3	G237 W238 P263	P235-G237 PolarHBondContact O-N 2.75Å; P235-W238 WeakPolarHBondContact O-CB 3.26Å; P235-W238 PolarHBondContact O-N 3.49Å; P235-P263 HydrophobicContact CG-CB 4.07Å
236	L	71.9	Confident	64.3	Low	170 Å²	170	101.7 Å²	101.7	89%	0.89	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	124.2	-179.2	-76.7	164	0	0	0	111.9	N254	L236-N254 PolarHBondContact O-ND2 3.29Å
237	G	76	Confident	66.3	Low	31 Å²	31	97.5 Å²	97.5	32%	0.32	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.6	1.2	-176	0	0	0	0	0	115.5	P235 H253	P235-G237 PolarHBondContact O-N 2.75Å; G237-H253 WeakPolarHBondContact O-CB 3.48Å; G237-H253 PolarHBondContact O-CD2 3.24Å; G237-H253 PolarHBondContact O-N 2.84Å
238	W	83.7	Confident	69	Low	69 Å²	69	95.7 Å²	95.7	26%	0.261	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	139.6	173.6	-69.5	86.5	0	0	0	113.5	L234 P235 I251 D252 T259 P263	L234-W238 HydrophobicContact CB-CB 4.13Å; P235-W238 WeakPolarHBondContact O-CB 3.26Å; P235-W238 PolarHBondContact O-N 3.49Å; W238-I251 CarbonylContact C-O 3.46Å; W238-I251 VanDerWaalsContact CA-O 3.29Å; W238-I251 WeakPolarHBondContact CA-O 3.35Å; W238-I251 VanDerWaalsContact CE3-C 3.47Å; W238-D252 HydrophobicContact CD2-CB 3.87Å; W238-D252 HydrophobicContact CE3-CB 3.69Å; W238-D252 HydrophobicContact CH2-CB 3.68Å; W238-D252 HydrophobicContact CZ2-CB 3.79Å; W238-D252 HydrophobicContact CZ3-CB 3.59Å; W238-T259 HydrophobicContact CH2-CG2 4.13Å; W238-T259 HydrophobicContact CZ3-CG2 3.72Å; W238-P263 HydrophobicContact CB-CB 4.49Å; W238-P263 HydrophobicContact CB-CG 4.23Å; W238-P263 HydrophobicContact CD2-CB 3.59Å; W238-P263 HydrophobicContact CD2-CG 3.27Å; W238-P263 HydrophobicContact CE3-CB 3.97Å; W238-P263 HydrophobicContact CE3-CG 3.12Å; W238-P263 HydrophobicContact CG-CB 3.87Å; W238-P263 HydrophobicContact CG-CG 3.81Å; W238-P263 HydrophobicContact CH2-CB 4.36Å; W238-P263 HydrophobicContact CH2-CG 3.93Å; W238-P263 HydrophobicContact CZ2-CB 4.08Å; W238-P263 HydrophobicContact CZ2-CG 4.11Å; W238-P263 HydrophobicContact CZ3-CB 4.34Å; W238-P263 HydrophobicContact CZ3-CG 3.48Å; W238-P263 VanDerWaalsContact CZ3-CG 3.48Å
239	E	83.9	Confident	71.6	Confident	59 Å²	59	94.2 Å²	94.2	28%	0.276	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134.4	177.5	-177	-174	173.5	0	0	110.5	R241 Y250 I251 H253	E239-R241 HydrophobicContact CG-CG 4.32Å; E239-R241 IonicContact OE1-CZ 2.82Å; E239-R241 IonicContact OE1-NE 3.29Å; E239-R241 PolarHBondContact OE1-NE 3.46Å; E239-R241 IonicContact OE1-NH2 3.42Å; E239-R241 PolarHBondContact OE1-NH2 2.94Å; E239-R241 IonicContact OE2-CZ 2.68Å; E239-R241 IonicContact OE2-NE 2.74Å; E239-R241 IonicContact OE2-NH2 3.47Å; E239-R241 PolarHBondContact OE2-NH2 3.43Å; E239-R241 VanDerWaalsContact OE2-NH2 3.17Å; E239-Y250 CarbonylContact O-C 3.56Å; E239-Y250 WeakPolarHBondContact O-CA 3.39Å; E239-I251 HydrophobicContact CB-CB 4.49Å; E239-I251 PolarHBondContact N-O 3.09Å; E239-I251 PolarHBondContact O-N 3.42Å; E239-H253 WeakPolarHBondContact CB-NE2 3.4Å; E239-H253 IonicContact OE2-CE1 3.27Å; E239-H253 PolarHBondContact OE2-CE1 2.8Å; E239-H253 VanDerWaalsContact OE2-CE1 3.29Å; E239-H253 IonicContact OE2-NE2 2.74Å; E239-H253 PolarHBondContact OE2-NE2 3.47Å
240	A	85.8	Confident	73.9	Confident	32 Å²	32	88.7 Å²	88.7	26%	0.264	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	133.9	169.8	0	0	0	0	0	110.9	L234 Y249 Y250	L234-A240 HydrophobicContact CD1-CB 4.01Å; A240-Y249 WeakPolarHBondContact CA-O 3.46Å; A240-Y250 HydrophobicContact CB-CD1 3.74Å; A240-Y250 HydrophobicContact CB-CE1 3.67Å
241	R	86.2	Confident	76.1	Confident	116 Å²	116	81 Å²	81	44%	0.438	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	176.6	172.7	-70.1	-151.7	-180	171.4	6.8	111.2	E239 R248 Y249 I251	E239-R241 HydrophobicContact CG-CG 4.32Å; E239-R241 IonicContact OE1-CZ 2.82Å; E239-R241 IonicContact OE1-NE 3.29Å; E239-R241 PolarHBondContact OE1-NE 3.46Å; E239-R241 IonicContact OE1-NH2 3.42Å; E239-R241 PolarHBondContact OE1-NH2 2.94Å; E239-R241 IonicContact OE2-CZ 2.68Å; E239-R241 IonicContact OE2-NE 2.74Å; E239-R241 IonicContact OE2-NH2 3.47Å; E239-R241 PolarHBondContact OE2-NH2 3.43Å; E239-R241 VanDerWaalsContact OE2-NH2 3.17Å; R241-R248 CarbonylContact O-C 3.49Å; R241-R248 WeakPolarHBondContact O-CA 3.36Å; R241-Y249 HydrophobicContact CB-CD1 4.18Å; R241-Y249 HydrophobicContact CB-CE1 3.6Å; R241-Y249 HydrophobicContact CB-CE2 4.13Å; R241-Y249 PolarHBondContact N-O 3.02Å; R241-Y249 PolarHBondContact O-N 3.26Å; R241-Y249 VanDerWaalsContact O-O 3.1Å; R241-I251 HydrophobicContact CB-CD1 4.44Å; R241-I251 HydrophobicContact CG-CD1 3.9Å
242	F	85.4	Confident	77.4	Confident	128 Å²	128	77.5 Å²	77.5	56%	0.561	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	142	175.8	-61.6	-89.3	0	0	0	109.3	G246 R247 R248	F242-G246 WeakPolarHBondContact CD1-O 3.36Å; F242-R247 CarbonylContact C-O 3.57Å; F242-R247 WeakPolarHBondContact CA-O 3.43Å; F242-R248 HydrophobicContact CD1-CB 3.89Å; F242-R248 HydrophobicContact CD1-CG 4.09Å; F242-R248 HydrophobicContact CE1-CB 3.67Å; F242-R248 HydrophobicContact CE1-CG 3.62Å; F242-R248 HydrophobicContact CZ-CB 4.46Å; F242-R248 HydrophobicContact CZ-CG 3.92Å
243	D	78.2	Confident	78.2	Confident	35 Å²	35	78 Å²	78	19%	0.187	39%	0.386	C	S	.	.			trans	-82.5	-179.6	175.4	80.7	-6.4	0	0	0	112.3	Y245 G246 R247 Y249 W260	D243-Y245 PolarHBondContact O-N 3.31Å; D243-Y245 WeakPolarHBondContact OD1-CA 3.41Å; D243-Y245 WeakPolarHBondContact OD1-CB 3.21Å; D243-Y245 PolarHBondContact OD1-N 2.91Å; D243-G246 PolarHBondContact O-N 3.14Å; D243-G246 PolarHBondContact OD1-N 2.86Å; D243-R247 PolarHBondContact N-O 2.87Å; D243-R247 WeakPolarHBondContact OD1-CB 3.4Å; D243-R247 PolarHBondContact OD1-N 2.85Å; D243-R247 IonicContact OD1-NE 2.81Å; D243-R247 IonicContact OD2-CZ 3.73Å; D243-R247 IonicContact OD2-NE 3.77Å; D243-R247 PolarHBondContact OD2-NE 2.91Å; D243-R247 IonicContact OD2-NH2 2.69Å; D243-R247 PolarHBondContact OD2-NH2 2.86Å; D243-Y249 HydrophobicContact CB-CD1 4.35Å; D243-Y249 HydrophobicContact CB-CE1 4.37Å; D243-W260 HydrophobicContact CB-CH2 4.32Å
244	M	71	Confident	78.4	Confident	167 Å²	167	78.8 Å²	78.8	82%	0.823	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-10.4	179.2	68.7	-175.3	68	0	0	114.7
245	Y	72.2	Confident	78.6	Confident	170 Å²	170	79.7 Å²	79.7	67%	0.667	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	8	176.6	-53.9	-78.3	0	0	0	112	D243 R247	D243-Y245 PolarHBondContact O-N 3.31Å; D243-Y245 WeakPolarHBondContact OD1-CA 3.41Å; D243-Y245 WeakPolarHBondContact OD1-CB 3.21Å; D243-Y245 PolarHBondContact OD1-N 2.91Å; Y245-R247 VanDerWaalsContact C-N 3.3Å; Y245-R247 PolarHBondContact O-N 3.32Å
246	G	73.7	Confident	78.8	Confident	51 Å²	51	87.2 Å²	87.2	53%	0.526	43%	0.425	S	S	.	.	S	Bend	trans	77.2	8.9	-178.3	0	0	0	0	0	114.7	F242 D243	F242-G246 WeakPolarHBondContact CD1-O 3.36Å; D243-G246 PolarHBondContact O-N 3.14Å; D243-G246 PolarHBondContact OD1-N 2.86Å
247	R	70.4	Confident	78.9	Confident	128 Å²	128	81.3 Å²	81.3	48%	0.483	40%	0.397	S	S	.	.			trans	-81.7	128.9	-178.8	-58.3	178.9	-62	-176.3	2.9	110.3	F242 D243 Y245 W260	F242-R247 CarbonylContact C-O 3.57Å; F242-R247 WeakPolarHBondContact CA-O 3.43Å; D243-R247 PolarHBondContact N-O 2.87Å; D243-R247 WeakPolarHBondContact OD1-CB 3.4Å; D243-R247 PolarHBondContact OD1-N 2.85Å; D243-R247 IonicContact OD1-NE 2.81Å; D243-R247 IonicContact OD2-CZ 3.73Å; D243-R247 IonicContact OD2-NE 3.77Å; D243-R247 PolarHBondContact OD2-NE 2.91Å; D243-R247 IonicContact OD2-NH2 2.69Å; D243-R247 PolarHBondContact OD2-NH2 2.86Å; Y245-R247 VanDerWaalsContact C-N 3.3Å; Y245-R247 PolarHBondContact O-N 3.32Å; R247-W260 HydrophobicContact CB-CZ3 3.84Å
248	R	83.2	Confident	79.2	Confident	88 Å²	88	84.5 Å²	84.5	33%	0.332	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	133.3	-178.9	-156.1	175.4	-169.4	-169.4	4.8	110.6	E231 R241 F242	E231-R248 IonicContact OE1-CZ 3.22Å; E231-R248 IonicContact OE1-NH1 3.11Å; E231-R248 PolarHBondContact OE1-NH1 2.94Å; E231-R248 IonicContact OE1-NH2 2.77Å; E231-R248 IonicContact OE2-CZ 2.76Å; E231-R248 IonicContact OE2-NH1 2.72Å; E231-R248 PolarHBondContact OE2-NH1 3.15Å; E231-R248 IonicContact OE2-NH2 3.33Å; E231-R248 PolarHBondContact OE2-NH2 3.03Å; R241-R248 CarbonylContact O-C 3.49Å; R241-R248 WeakPolarHBondContact O-CA 3.36Å; F242-R248 HydrophobicContact CD1-CB 3.89Å; F242-R248 HydrophobicContact CD1-CG 4.09Å; F242-R248 HydrophobicContact CE1-CB 3.67Å; F242-R248 HydrophobicContact CE1-CG 3.62Å; F242-R248 HydrophobicContact CZ-CB 4.46Å; F242-R248 HydrophobicContact CZ-CG 3.92Å
249	Y	83.1	Confident	78.6	Confident	53 Å²	53	82.3 Å²	82.3	21%	0.208	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	164.9	173.6	74.5	-85.8	0	0	0	110.2	A240 R241 D243 I251 T258	A240-Y249 WeakPolarHBondContact CA-O 3.46Å; R241-Y249 HydrophobicContact CB-CD1 4.18Å; R241-Y249 HydrophobicContact CB-CE1 3.6Å; R241-Y249 HydrophobicContact CB-CE2 4.13Å; R241-Y249 PolarHBondContact N-O 3.02Å; R241-Y249 PolarHBondContact O-N 3.26Å; R241-Y249 VanDerWaalsContact O-O 3.1Å; D243-Y249 HydrophobicContact CB-CD1 4.35Å; D243-Y249 HydrophobicContact CB-CE1 4.37Å; Y249-I251 HydrophobicContact CD2-CG1 4.09Å; Y249-I251 HydrophobicContact CE2-CD1 3.84Å; Y249-I251 HydrophobicContact CE2-CG1 3.6Å; Y249-T258 HydrophobicContact CD2-CG2 4.38Å; Y249-T258 HydrophobicContact CE2-CG2 4.21Å
250	Y	85.5	Confident	78.4	Confident	15 Å²	15	86.8 Å²	86.8	6%	0.059	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	136.7	-174	-54.9	-92.2	0	0	0	110.5	L234 E239 A240 T258 T259 E261 R262 P263	L234-Y250 HydrophobicContact CD1-CD1 4.25Å; L234-Y250 HydrophobicContact CD2-CD1 3.96Å; L234-Y250 HydrophobicContact CD2-CE1 4.01Å; E239-Y250 CarbonylContact O-C 3.56Å; E239-Y250 WeakPolarHBondContact O-CA 3.39Å; A240-Y250 HydrophobicContact CB-CD1 3.74Å; A240-Y250 HydrophobicContact CB-CE1 3.67Å; Y250-T258 CarbonylContact O-C 3.57Å; Y250-T258 VanDerWaalsContact O-CA 3.29Å; Y250-T258 WeakPolarHBondContact O-CA 3.41Å; Y250-T259 PolarHBondContact N-O 3.21Å; Y250-T259 PolarHBondContact O-N 3.23Å; Y250-E261 VanDerWaalsContact CD2-O 3.29Å; Y250-E261 WeakPolarHBondContact CD2-O 3.44Å; Y250-R262 HydrophobicContact CE1-CB 4.26Å; Y250-R262 HydrophobicContact CE1-CG 3.91Å; Y250-R262 HydrophobicContact CE2-CB 3.88Å; Y250-R262 HydrophobicContact CE2-CG 4.44Å; Y250-P263 HydrophobicContact CD1-CG 4.4Å; Y250-P263 VanDerWaalsContact CG-CD 3.41Å; Y250-P263 HydrophobicContact CG-CG 4.21Å
251	I	81	Confident	77.5	Confident	25 Å²	25	89.7 Å²	89.7	13%	0.128	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.4	-177.9	-51.4	-179.3	0	0	0	108.1	W238 E239 R241 Y249 T258	W238-I251 CarbonylContact C-O 3.46Å; W238-I251 VanDerWaalsContact CA-O 3.29Å; W238-I251 WeakPolarHBondContact CA-O 3.35Å; W238-I251 VanDerWaalsContact CE3-C 3.47Å; E239-I251 HydrophobicContact CB-CB 4.49Å; E239-I251 PolarHBondContact N-O 3.09Å; E239-I251 PolarHBondContact O-N 3.42Å; R241-I251 HydrophobicContact CB-CD1 4.44Å; R241-I251 HydrophobicContact CG-CD1 3.9Å; Y249-I251 HydrophobicContact CD2-CG1 4.09Å; Y249-I251 HydrophobicContact CE2-CD1 3.84Å; Y249-I251 HydrophobicContact CE2-CG1 3.6Å; I251-T258 HydrophobicContact CG1-CG2 4.12Å; I251-T258 HydrophobicContact CG2-CG2 4.44Å
252	D	80.2	Confident	77	Confident	18 Å²	18	88.3 Å²	88.3	10%	0.096	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	109	167.1	-179.5	13.4	0	0	0	109.3	W238 N254 S255 K256 S257	W238-D252 HydrophobicContact CD2-CB 3.87Å; W238-D252 HydrophobicContact CE3-CB 3.69Å; W238-D252 HydrophobicContact CH2-CB 3.68Å; W238-D252 HydrophobicContact CZ2-CB 3.79Å; W238-D252 HydrophobicContact CZ3-CB 3.59Å; D252-N254 PolarHBondContact O-N 3.46Å; D252-N254 WeakPolarHBondContact OD1-CA 3.29Å; D252-N254 WeakPolarHBondContact OD1-CB 3.34Å; D252-N254 PolarHBondContact OD1-N 2.86Å; D252-N254 PolarHBondContact OD1-ND2 3.5Å; D252-S255 WeakPolarHBondContact CB-OG 3.25Å; D252-S255 VanDerWaalsContact CG-OG 3.28Å; D252-S255 WeakPolarHBondContact OD2-CB 3.45Å; D252-S255 PolarHBondContact OD2-N 3.35Å; D252-S255 VanDerWaalsContact OD2-N 3.1Å; D252-S255 PolarHBondContact OD2-OG 2.98Å; D252-K256 WeakPolarHBondContact O-CA 3.43Å; D252-K256 PolarHBondContact O-N 2.95Å; D252-S257 PolarHBondContact N-O 2.7Å; D252-S257 PolarHBondContact O-N 2.82Å
253	H	77.4	Confident	76.1	Confident	99 Å²	99	83 Å²	83	46%	0.458	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-18.2	175.9	-69.6	-80	0	0	0	112.9	G237 E239	G237-H253 WeakPolarHBondContact O-CB 3.48Å; G237-H253 PolarHBondContact O-CD2 3.24Å; G237-H253 PolarHBondContact O-N 2.84Å; E239-H253 WeakPolarHBondContact CB-NE2 3.4Å; E239-H253 IonicContact OE2-CE1 3.27Å; E239-H253 PolarHBondContact OE2-CE1 2.8Å; E239-H253 VanDerWaalsContact OE2-CE1 3.29Å; E239-H253 IonicContact OE2-NE2 2.74Å; E239-H253 PolarHBondContact OE2-NE2 3.47Å
254	N	71.6	Confident	75.4	Confident	117 Å²	117	83.2 Å²	83.2	63%	0.626	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-49.1	177.6	-49.2	-69.8	0	0	0	111.3	L236 D252	L236-N254 PolarHBondContact O-ND2 3.29Å; D252-N254 PolarHBondContact O-N 3.46Å; D252-N254 WeakPolarHBondContact OD1-CA 3.29Å; D252-N254 WeakPolarHBondContact OD1-CB 3.34Å; D252-N254 PolarHBondContact OD1-N 2.86Å; D252-N254 PolarHBondContact OD1-ND2 3.5Å
255	S	77.1	Confident	74.8	Confident	70 Å²	70	77.9 Å²	77.9	49%	0.49	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-8	177.2	66.9	0	0	0	0	115	D252 S257	D252-S255 WeakPolarHBondContact CB-OG 3.25Å; D252-S255 VanDerWaalsContact CG-OG 3.28Å; D252-S255 WeakPolarHBondContact OD2-CB 3.45Å; D252-S255 PolarHBondContact OD2-N 3.35Å; D252-S255 VanDerWaalsContact OD2-N 3.1Å; D252-S255 PolarHBondContact OD2-OG 2.98Å; S255-S257 PolarHBondContact O-N 3Å; S255-S257 WeakPolarHBondContact OG-CB 3.44Å; S255-S257 PolarHBondContact OG-OG 2.81Å
256	K	76.7	Confident	74.4	Confident	191 Å²	191	73.5 Å²	73.5	83%	0.83	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	32.7	-170.9	-57.7	-174.3	178.5	-177	0	113.4	D252	D252-K256 WeakPolarHBondContact O-CA 3.43Å; D252-K256 PolarHBondContact O-N 2.95Å
257	S	74.5	Confident	74.2	Confident	45 Å²	45	75.7 Å²	75.7	32%	0.315	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	165.5	178	70.9	0	0	0	0	112.1	D252 S255	D252-S257 PolarHBondContact N-O 2.7Å; D252-S257 PolarHBondContact O-N 2.82Å; S255-S257 PolarHBondContact O-N 3Å; S255-S257 WeakPolarHBondContact OG-CB 3.44Å; S255-S257 PolarHBondContact OG-OG 2.81Å
258	T	81.3	Confident	74.4	Confident	98 Å²	98	71.5 Å²	71.5	60%	0.601	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128	151	174.4	59.8	0	0	0	0	110.6	Y249 Y250 I251	Y249-T258 HydrophobicContact CD2-CG2 4.38Å; Y249-T258 HydrophobicContact CE2-CG2 4.21Å; Y250-T258 CarbonylContact O-C 3.57Å; Y250-T258 VanDerWaalsContact O-CA 3.29Å; Y250-T258 WeakPolarHBondContact O-CA 3.41Å; I251-T258 HydrophobicContact CG1-CG2 4.12Å; I251-T258 HydrophobicContact CG2-CG2 4.44Å
259	T	73.1	Confident	74.2	Confident	23 Å²	23	69.1 Å²	69.1	14%	0.141	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	156.2	178.9	-176.1	0	0	0	0	110.3	W238 Y250 E261	W238-T259 HydrophobicContact CH2-CG2 4.13Å; W238-T259 HydrophobicContact CZ3-CG2 3.72Å; Y250-T259 PolarHBondContact N-O 3.21Å; Y250-T259 PolarHBondContact O-N 3.23Å; T259-E261 VanDerWaalsContact CG2-O 3.23Å; T259-E261 WeakPolarHBondContact CG2-O 3.31Å; T259-E261 PolarHBondContact OG1-N 3.45Å
260	W	78	Confident	74.1	Confident	153 Å²	153	71.1 Å²	71.1	58%	0.58	39%	0.393	S	S	*	.	S	Bend	trans	-89.3	-17.7	172	-59.3	98.7	0	0	0	112.3	D243 R247	D243-W260 HydrophobicContact CB-CH2 4.32Å; R247-W260 HydrophobicContact CB-CZ3 3.84Å
261	E	67.2	Low	73.9	Confident	93 Å²	93	72 Å²	72	44%	0.435	41%	0.407	S	S	.	.	S	Bend	trans	-84	138.6	179.6	-66.6	171.6	-156.8	0	0	111.9	Y250 T259 P263	Y250-E261 VanDerWaalsContact CD2-O 3.29Å; Y250-E261 WeakPolarHBondContact CD2-O 3.44Å; T259-E261 VanDerWaalsContact CG2-O 3.23Å; T259-E261 WeakPolarHBondContact CG2-O 3.31Å; T259-E261 PolarHBondContact OG1-N 3.45Å; E261-P263 WeakPolarHBondContact O-CD 3.49Å
262	R	76.7	Confident	74.2	Confident	88 Å²	88	71.9 Å²	71.9	33%	0.332	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-67.3	124.5	177.4	-175	-177.9	-176	138.8	9.3	111.6	E231 E232 L234 Y250 S264	E231-R262 VanDerWaalsContact C-NH2 3.33Å; E231-R262 PolarHBondContact O-NH2 3.1Å; E231-R262 IonicContact OE1-CZ 3.29Å; E231-R262 IonicContact OE1-NH1 3.08Å; E231-R262 PolarHBondContact OE1-NH1 3.47Å; E231-R262 IonicContact OE2-NH1 2.69Å; E232-R262 PolarHBondContact O-NH2 3.47Å; L234-R262 HydrophobicContact CD2-CG 4.14Å; Y250-R262 HydrophobicContact CE1-CB 4.26Å; Y250-R262 HydrophobicContact CE1-CG 3.91Å; Y250-R262 HydrophobicContact CE2-CB 3.88Å; Y250-R262 HydrophobicContact CE2-CG 4.44Å; R262-S264 PolarHBondContact O-N 3.43Å
263	P	65.8	Low	74.5	Confident	15 Å²	15	74.4 Å²	74.4	10%	0.097	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-67.5	125.4	169.2	-12.3	26.1	0	0	0	110.5	L234 P235 W238 Y250 E261	L234-P263 HydrophobicContact CD2-CG 4.43Å; P235-P263 HydrophobicContact CG-CB 4.07Å; W238-P263 HydrophobicContact CB-CB 4.49Å; W238-P263 HydrophobicContact CB-CG 4.23Å; W238-P263 HydrophobicContact CD2-CB 3.59Å; W238-P263 HydrophobicContact CD2-CG 3.27Å; W238-P263 HydrophobicContact CE3-CB 3.97Å; W238-P263 HydrophobicContact CE3-CG 3.12Å; W238-P263 HydrophobicContact CG-CB 3.87Å; W238-P263 HydrophobicContact CG-CG 3.81Å; W238-P263 HydrophobicContact CH2-CB 4.36Å; W238-P263 HydrophobicContact CH2-CG 3.93Å; W238-P263 HydrophobicContact CZ2-CB 4.08Å; W238-P263 HydrophobicContact CZ2-CG 4.11Å; W238-P263 HydrophobicContact CZ3-CB 4.34Å; W238-P263 HydrophobicContact CZ3-CG 3.48Å; W238-P263 VanDerWaalsContact CZ3-CG 3.48Å; Y250-P263 HydrophobicContact CD1-CG 4.4Å; Y250-P263 VanDerWaalsContact CG-CD 3.41Å; Y250-P263 HydrophobicContact CG-CG 4.21Å; E261-P263 WeakPolarHBondContact O-CD 3.49Å
264	S	63.1	Low	74.9	Confident	40 Å²	40	72.9 Å²	72.9	28%	0.28	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-96.9	135	178.2	59	0	0	0	0	111.8	R262 V266 R296	R262-S264 PolarHBondContact O-N 3.43Å; S264-V266 PolarHBondContact OG-O 2.89Å; S264-R296 PolarHBondContact OG-NE 2.75Å; S264-R296 PolarHBondContact OG-NH1 2.86Å; S264-R296 PolarHBondContact OG-NH2 2.75Å; S264-R296 VanDerWaalsContact OG-NH2 3.11Å
265	S	59.2	Low	75.5	Confident	56 Å²	56	72.1 Å²	72.1	39%	0.392	40%	0.404	S	S	.	.	S	Bend	trans	-67.3	-32.3	169.9	23.3	0	0	0	0	113.3	E232 P233 S267	E232-S265 WeakPolarHBondContact CG-OG 3.37Å; E232-S265 PolarHBondContact OE1-OG 3.39Å; P233-S265 PolarHBondContact O-OG 2.71Å; S265-S267 PolarHBondContact O-N 3.11Å
266	V	63	Low	75.8	Confident	77 Å²	77	75.9 Å²	75.9	47%	0.467	41%	0.408	S	S	.	.	S	Bend	trans	-58.8	126.1	172	-163	0	0	0	0	110.3	E232 S264 R296	E232-V266 WeakPolarHBondContact OE1-CG2 3.46Å; S264-V266 PolarHBondContact OG-O 2.89Å; V266-R296 PolarHBondContact O-NH2 3.39Å
267	S	69.4	Low	75.8	Confident	98 Å²	98	67.9 Å²	67.9	69%	0.685	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-61.7	165.2	170.8	64	0	0	0	0	111.9	S265 R296	S265-S267 PolarHBondContact O-N 3.11Å; S267-R296 PolarHBondContact O-NH2 3.11Å
268	L	75.6	Confident	76.1	Confident	39 Å²	39	71.8 Å²	71.8	20%	0.204	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-66.5	152.6	166.2	-71.9	173.4	0	0	0	110.5	W272 Y284 R296 P297	L268-W272 HydrophobicContact CB-CB 4.08Å; L268-Y284 HydrophobicContact CD1-CD1 4.1Å; L268-Y284 HydrophobicContact CD1-CE1 4.41Å; L268-Y284 HydrophobicContact CD2-CD1 3.78Å; L268-Y284 HydrophobicContact CD2-CE1 3.88Å; L268-R296 HydrophobicContact CD2-CG 4.19Å; L268-P297 HydrophobicContact CD2-CG 3.85Å
269	P	78.4	Confident	75.9	Confident	39 Å²	39	76.2 Å²	76.2	25%	0.253	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-62.3	160	173.3	-22.3	35.4	0	0	0	112.5	G271 W272 P297 L302	P269-G271 PolarHBondContact O-N 2.76Å; P269-W272 HydrophobicContact CB-CG 4.49Å; P269-W272 WeakPolarHBondContact O-CB 3.43Å; P269-W272 PolarHBondContact O-N 3.18Å; P269-P297 HydrophobicContact CG-CB 4.43Å; P269-P297 HydrophobicContact CG-CG 4.42Å; P269-L302 HydrophobicContact CB-CD1 3.79Å; P269-L302 HydrophobicContact CG-CD1 3.72Å
270	A	81.3	Confident	75.8	Confident	94 Å²	94	76.8 Å²	76.8	78%	0.777	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	129.6	-176.5	0	0	0	0	0	112.5	W272 N288	A270-W272 VanDerWaalsContact C-N 3.35Å; A270-N288 PolarHBondContact O-ND2 2.89Å
271	G	81.9	Confident	75.5	Confident	34 Å²	34	74.2 Å²	74.2	35%	0.351	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	1.8	-176	0	0	0	0	0	115.3	P269 H287	P269-G271 PolarHBondContact O-N 2.76Å; G271-H287 WeakPolarHBondContact O-CB 3.26Å; G271-H287 PolarHBondContact O-CD2 2.91Å; G271-H287 PolarHBondContact O-N 3.31Å
272	W	86.4	Confident	75.9	Confident	23 Å²	23	71.2 Å²	71.2	9%	0.087	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	136.1	175.6	-73.6	80.9	0	0	0	113.2	L268 P269 A270 V285 D286 T293 P297 L302 M508	L268-W272 HydrophobicContact CB-CB 4.08Å; P269-W272 HydrophobicContact CB-CG 4.49Å; P269-W272 WeakPolarHBondContact O-CB 3.43Å; P269-W272 PolarHBondContact O-N 3.18Å; A270-W272 VanDerWaalsContact C-N 3.35Å; W272-V285 CarbonylContact C-O 3.54Å; W272-V285 VanDerWaalsContact CA-O 3.3Å; W272-V285 WeakPolarHBondContact CA-O 3.28Å; W272-D286 HydrophobicContact CD2-CB 3.93Å; W272-D286 HydrophobicContact CE3-CB 4Å; W272-D286 HydrophobicContact CH2-CB 3.74Å; W272-D286 HydrophobicContact CZ2-CB 3.61Å; W272-D286 HydrophobicContact CZ3-CB 3.9Å; W272-T293 HydrophobicContact CH2-CG2 3.92Å; W272-T293 HydrophobicContact CZ3-CG2 3.75Å; W272-P297 HydrophobicContact CB-CG 4.3Å; W272-P297 HydrophobicContact CD2-CB 3.8Å; W272-P297 HydrophobicContact CD2-CG 3.62Å; W272-P297 HydrophobicContact CE3-CB 3.96Å; W272-P297 HydrophobicContact CE3-CG 3.62Å; W272-P297 HydrophobicContact CG-CB 4.39Å; W272-P297 HydrophobicContact CG-CG 3.97Å; W272-P297 HydrophobicContact CH2-CB 4.05Å; W272-P297 HydrophobicContact CZ2-CB 3.92Å; W272-P297 HydrophobicContact CZ3-CB 4.08Å; W272-P297 HydrophobicContact CZ3-CG 4.11Å; W272-L302 HydrophobicContact CZ2-CD2 3.64Å; W272-M508 HydrophobicContact CH2-CE 3.7Å; W272-M508 HydrophobicContact CH2-SD 3.89Å; W272-M508 HydrophobicContact CZ2-CE 3.69Å; W272-M508 HydrophobicContact CZ2-SD 4.47Å
273	E	86.6	Confident	75.9	Confident	70 Å²	70	69.6 Å²	69.6	33%	0.327	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	132	178.8	-172.2	-165.7	151.3	0	0	110.6	R275 Y284 V285 H287	E273-R275 HydrophobicContact CG-CG 4.33Å; E273-R275 WeakPolarHBondContact OE1-CG 3.49Å; E273-R275 IonicContact OE1-CZ 2.76Å; E273-R275 IonicContact OE1-NE 3.36Å; E273-R275 PolarHBondContact OE1-NE 3.11Å; E273-R275 IonicContact OE1-NH2 3.51Å; E273-R275 PolarHBondContact OE1-NH2 3.26Å; E273-R275 IonicContact OE2-CZ 2.85Å; E273-R275 IonicContact OE2-NE 3.54Å; E273-R275 PolarHBondContact OE2-NE 3.39Å; E273-R275 IonicContact OE2-NH2 2.69Å; E273-R275 PolarHBondContact OE2-NH2 3.44Å; E273-Y284 CarbonylContact O-C 3.58Å; E273-Y284 WeakPolarHBondContact O-CA 3.39Å; E273-V285 HydrophobicContact CB-CB 4.49Å; E273-V285 PolarHBondContact N-O 3.18Å; E273-V285 PolarHBondContact O-N 2.92Å; E273-H287 IonicContact OE2-CD2 3.81Å; E273-H287 IonicContact OE2-CE1 2.69Å; E273-H287 PolarHBondContact OE2-CE1 3.15Å; E273-H287 IonicContact OE2-NE2 2.9Å; E273-H287 PolarHBondContact OE2-NE2 3.4Å
274	S	85.1	Confident	76.8	Confident	67 Å²	67	69.8 Å²	69.8	47%	0.469	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	123.8	168.6	53.4	0	0	0	0	110.8
275	R	85.6	Confident	77.7	Confident	101 Å²	101	68.6 Å²	68.6	38%	0.381	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	171.8	173.6	-68.8	-167.8	178.5	170.9	5.6	111	E273 I282 Y283 V285	E273-R275 HydrophobicContact CG-CG 4.33Å; E273-R275 WeakPolarHBondContact OE1-CG 3.49Å; E273-R275 IonicContact OE1-CZ 2.76Å; E273-R275 IonicContact OE1-NE 3.36Å; E273-R275 PolarHBondContact OE1-NE 3.11Å; E273-R275 IonicContact OE1-NH2 3.51Å; E273-R275 PolarHBondContact OE1-NH2 3.26Å; E273-R275 IonicContact OE2-CZ 2.85Å; E273-R275 IonicContact OE2-NE 3.54Å; E273-R275 PolarHBondContact OE2-NE 3.39Å; E273-R275 IonicContact OE2-NH2 2.69Å; E273-R275 PolarHBondContact OE2-NH2 3.44Å; R275-I282 WeakPolarHBondContact O-CA 3.41Å; R275-Y283 HydrophobicContact CB-CD1 4.3Å; R275-Y283 HydrophobicContact CB-CD2 4.34Å; R275-Y283 HydrophobicContact CB-CE1 3.75Å; R275-Y283 HydrophobicContact CB-CE2 3.79Å; R275-Y283 VanDerWaalsContact CB-CZ 3.45Å; R275-Y283 HydrophobicContact CG-CE2 4.5Å; R275-Y283 PolarHBondContact N-O 3.49Å; R275-Y283 PolarHBondContact O-N 2.94Å; R275-V285 HydrophobicContact CG-CG2 4.11Å
276	R	82.2	Confident	78.9	Confident	150 Å²	150	66.3 Å²	66.3	57%	0.566	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	144.2	169.8	-67.6	-176.9	-175.7	-86.4	1.5	110.5	G280 R281 I282 Y283	R276-G280 PolarHBondContact NH1-O 3.09Å; R276-R281 CarbonylContact C-O 3.58Å; R276-R281 VanDerWaalsContact CA-O 3.25Å; R276-R281 WeakPolarHBondContact CA-O 3.47Å; R276-I282 HydrophobicContact CG-CG1 4.24Å; R276-Y283 VanDerWaalsContact C-CE1 3.46Å; R276-Y283 WeakPolarHBondContact O-CE1 3.1Å
277	D	76.9	Confident	79.9	Confident	22 Å²	22	67.4 Å²	67.4	12%	0.118	36%	0.36	C	S	.	.			trans	-84.1	174.9	172	83.8	-11	0	0	0	111.4	Y279 G280 R281 Y283	D277-Y279 PolarHBondContact O-N 3.04Å; D277-Y279 VanDerWaalsContact O-N 3.08Å; D277-Y279 VanDerWaalsContact OD1-C 3.3Å; D277-Y279 WeakPolarHBondContact OD1-CA 3.32Å; D277-Y279 WeakPolarHBondContact OD1-CB 3.38Å; D277-Y279 PolarHBondContact OD1-N 2.87Å; D277-G280 PolarHBondContact O-N 3.16Å; D277-G280 PolarHBondContact OD1-N 2.97Å; D277-R281 PolarHBondContact N-O 2.91Å; D277-R281 WeakPolarHBondContact OD1-CB 3.42Å; D277-R281 PolarHBondContact OD1-N 3.45Å; D277-R281 IonicContact OD1-NE 3.7Å; D277-R281 IonicContact OD2-CZ 3.72Å; D277-R281 IonicContact OD2-NE 3.95Å; D277-R281 PolarHBondContact OD2-NE 3.05Å; D277-R281 IonicContact OD2-NH2 3.73Å; D277-R281 PolarHBondContact OD2-NH2 3.27Å; D277-Y283 HydrophobicContact CB-CD1 4.14Å; D277-Y283 HydrophobicContact CB-CE1 4.1Å
278	P	81.1	Confident	80.4	Confident	128 Å²	128	68.2 Å²	68.2	83%	0.831	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-15.5	178.4	-25.8	36.5	0	0	0	115
279	Y	76.7	Confident	80.3	Confident	191 Å²	191	69.1 Å²	69.1	75%	0.749	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	5.9	175.8	-52.7	-77.1	0	0	0	112.2	D277 R281	D277-Y279 PolarHBondContact O-N 3.04Å; D277-Y279 VanDerWaalsContact O-N 3.08Å; D277-Y279 VanDerWaalsContact OD1-C 3.3Å; D277-Y279 WeakPolarHBondContact OD1-CA 3.32Å; D277-Y279 WeakPolarHBondContact OD1-CB 3.38Å; D277-Y279 PolarHBondContact OD1-N 2.87Å; Y279-R281 VanDerWaalsContact C-N 3.28Å; Y279-R281 PolarHBondContact O-N 3.2Å
280	G	72.3	Confident	80.2	Confident	35 Å²	35	78 Å²	78	36%	0.361	39%	0.393	S	S	.	.	S	Bend	trans	80.7	-2.7	179	0	0	0	0	0	115.2	R276 D277	R276-G280 PolarHBondContact NH1-O 3.09Å; D277-G280 PolarHBondContact O-N 3.16Å; D277-G280 PolarHBondContact OD1-N 2.97Å
281	R	70.1	Confident	79.9	Confident	99 Å²	99	75.7 Å²	75.7	37%	0.374	37%	0.369	S	S	.	.			trans	-69	141	-178.4	-57.9	179.8	-64.7	-175.2	5.9	110.1	R276 D277 Y279 W294	R276-R281 CarbonylContact C-O 3.58Å; R276-R281 VanDerWaalsContact CA-O 3.25Å; R276-R281 WeakPolarHBondContact CA-O 3.47Å; D277-R281 PolarHBondContact N-O 2.91Å; D277-R281 WeakPolarHBondContact OD1-CB 3.42Å; D277-R281 PolarHBondContact OD1-N 3.45Å; D277-R281 IonicContact OD1-NE 3.7Å; D277-R281 IonicContact OD2-CZ 3.72Å; D277-R281 IonicContact OD2-NE 3.95Å; D277-R281 PolarHBondContact OD2-NE 3.05Å; D277-R281 IonicContact OD2-NH2 3.73Å; D277-R281 PolarHBondContact OD2-NH2 3.27Å; Y279-R281 VanDerWaalsContact C-N 3.28Å; Y279-R281 PolarHBondContact O-N 3.2Å; R281-W294 HydrophobicContact CB-CZ3 4.22Å
282	I	75.3	Confident	79.9	Confident	30 Å²	30	77.9 Å²	77.9	15%	0.154	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	138.1	179.6	-62.4	176.3	0	0	0	109.4	R275 R276 Y284	R275-I282 WeakPolarHBondContact O-CA 3.41Å; R276-I282 HydrophobicContact CG-CG1 4.24Å; I282-Y284 HydrophobicContact CG2-CE1 4.09Å; I282-Y284 HydrophobicContact CG2-CE2 4.06Å
283	Y	77.2	Confident	79.5	Confident	54 Å²	54	76.9 Å²	76.9	21%	0.212	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	158.6	166.7	69.1	-88.9	0	0	0	109.6	R275 R276 D277 V285 T292	R275-Y283 HydrophobicContact CB-CD1 4.3Å; R275-Y283 HydrophobicContact CB-CD2 4.34Å; R275-Y283 HydrophobicContact CB-CE1 3.75Å; R275-Y283 HydrophobicContact CB-CE2 3.79Å; R275-Y283 VanDerWaalsContact CB-CZ 3.45Å; R275-Y283 HydrophobicContact CG-CE2 4.5Å; R275-Y283 PolarHBondContact N-O 3.49Å; R275-Y283 PolarHBondContact O-N 2.94Å; R276-Y283 VanDerWaalsContact C-CE1 3.46Å; R276-Y283 WeakPolarHBondContact O-CE1 3.1Å; D277-Y283 HydrophobicContact CB-CD1 4.14Å; D277-Y283 HydrophobicContact CB-CE1 4.1Å; Y283-V285 HydrophobicContact CD2-CG2 3.99Å; Y283-V285 HydrophobicContact CE2-CG2 3.56Å; Y283-T292 HydrophobicContact CD2-CG2 4.24Å; Y283-T292 HydrophobicContact CE2-CG2 4.25Å
284	Y	84.3	Confident	79.1	Confident	18 Å²	18	76.4 Å²	76.4	7%	0.071	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	133.8	-176.4	-55.6	-85.2	0	0	0	110	L268 E273 I282 T292 T293 Q295 R296	L268-Y284 HydrophobicContact CD1-CD1 4.1Å; L268-Y284 HydrophobicContact CD1-CE1 4.41Å; L268-Y284 HydrophobicContact CD2-CD1 3.78Å; L268-Y284 HydrophobicContact CD2-CE1 3.88Å; E273-Y284 CarbonylContact O-C 3.58Å; E273-Y284 WeakPolarHBondContact O-CA 3.39Å; I282-Y284 HydrophobicContact CG2-CE1 4.09Å; I282-Y284 HydrophobicContact CG2-CE2 4.06Å; Y284-T292 CarbonylContact O-C 3.58Å; Y284-T292 WeakPolarHBondContact O-CA 3.44Å; Y284-T293 PolarHBondContact N-O 3.11Å; Y284-T293 PolarHBondContact O-N 2.86Å; Y284-Q295 VanDerWaalsContact CD2-O 3.28Å; Y284-Q295 WeakPolarHBondContact CD2-O 3.37Å; Y284-R296 HydrophobicContact CD2-CB 4.45Å; Y284-R296 HydrophobicContact CE1-CB 4.39Å; Y284-R296 HydrophobicContact CE1-CG 3.98Å; Y284-R296 HydrophobicContact CE2-CB 3.76Å; Y284-R296 HydrophobicContact CE2-CG 4.26Å
285	V	82.9	Confident	78.4	Confident	15 Å²	15	75.9 Å²	75.9	9%	0.091	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.7	179.2	-174.6	0	0	0	0	108.6	W272 E273 R275 Y283 T292	W272-V285 CarbonylContact C-O 3.54Å; W272-V285 VanDerWaalsContact CA-O 3.3Å; W272-V285 WeakPolarHBondContact CA-O 3.28Å; E273-V285 HydrophobicContact CB-CB 4.49Å; E273-V285 PolarHBondContact N-O 3.18Å; E273-V285 PolarHBondContact O-N 2.92Å; R275-V285 HydrophobicContact CG-CG2 4.11Å; Y283-V285 HydrophobicContact CD2-CG2 3.99Å; Y283-V285 HydrophobicContact CE2-CG2 3.56Å; V285-T292 HydrophobicContact CB-CG2 4.45Å; V285-T292 HydrophobicContact CG1-CG2 4.39Å; V285-T292 HydrophobicContact CG2-CG2 4.03Å
286	D	83.9	Confident	78	Confident	9 Å²	9	74.6 Å²	74.6	5%	0.048	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	109.3	167.1	-179.5	17.7	0	0	0	109.8	W272 N288 T289 R290 T291	W272-D286 HydrophobicContact CD2-CB 3.93Å; W272-D286 HydrophobicContact CE3-CB 4Å; W272-D286 HydrophobicContact CH2-CB 3.74Å; W272-D286 HydrophobicContact CZ2-CB 3.61Å; W272-D286 HydrophobicContact CZ3-CB 3.9Å; D286-N288 PolarHBondContact O-N 3.4Å; D286-N288 VanDerWaalsContact OD1-CB 3.25Å; D286-N288 WeakPolarHBondContact OD1-CB 3.35Å; D286-N288 PolarHBondContact OD1-N 2.95Å; D286-N288 PolarHBondContact OD1-ND2 2.94Å; D286-T289 VanDerWaalsContact OD2-CB 3.29Å; D286-T289 WeakPolarHBondContact OD2-CB 3.42Å; D286-T289 VanDerWaalsContact OD2-CG2 3.24Å; D286-T289 WeakPolarHBondContact OD2-CG2 3.13Å; D286-T289 PolarHBondContact OD2-N 3.39Å; D286-T289 VanDerWaalsContact OD2-N 3.09Å; D286-T289 PolarHBondContact OD2-OG1 2.93Å; D286-R290 WeakPolarHBondContact O-CA 3.48Å; D286-R290 PolarHBondContact O-N 2.94Å; D286-T291 PolarHBondContact N-O 3.42Å; D286-T291 PolarHBondContact O-N 3.31Å
287	H	84.2	Confident	77.6	Confident	99 Å²	99	67.6 Å²	67.6	46%	0.458	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-16.6	176.5	-69.9	-82.3	0	0	0	113.2	G271 E273	G271-H287 WeakPolarHBondContact O-CB 3.26Å; G271-H287 PolarHBondContact O-CD2 2.91Å; G271-H287 PolarHBondContact O-N 3.31Å; E273-H287 IonicContact OE2-CD2 3.81Å; E273-H287 IonicContact OE2-CE1 2.69Å; E273-H287 PolarHBondContact OE2-CE1 3.15Å; E273-H287 IonicContact OE2-NE2 2.9Å; E273-H287 PolarHBondContact OE2-NE2 3.4Å
288	N	79.6	Confident	77.5	Confident	115 Å²	115	70 Å²	70	62%	0.615	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-51.9	177.7	-51.8	-76.7	0	0	0	111	A270 D286	A270-N288 PolarHBondContact O-ND2 2.89Å; D286-N288 PolarHBondContact O-N 3.4Å; D286-N288 VanDerWaalsContact OD1-CB 3.25Å; D286-N288 WeakPolarHBondContact OD1-CB 3.35Å; D286-N288 PolarHBondContact OD1-N 2.95Å; D286-N288 PolarHBondContact OD1-ND2 2.94Å
289	T	73.7	Confident	77.1	Confident	59 Å²	59	69.8 Å²	69.8	36%	0.362	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-12.2	178.2	61	0	0	0	0	114.2	D286 T291	D286-T289 VanDerWaalsContact OD2-CB 3.29Å; D286-T289 WeakPolarHBondContact OD2-CB 3.42Å; D286-T289 VanDerWaalsContact OD2-CG2 3.24Å; D286-T289 WeakPolarHBondContact OD2-CG2 3.13Å; D286-T289 PolarHBondContact OD2-N 3.39Å; D286-T289 VanDerWaalsContact OD2-N 3.09Å; D286-T289 PolarHBondContact OD2-OG1 2.93Å; T289-T291 PolarHBondContact O-N 2.93Å; T289-T291 WeakPolarHBondContact OG1-CG2 3.39Å; T289-T291 PolarHBondContact OG1-N 2.82Å; T289-T291 PolarHBondContact OG1-OG1 2.82Å
290	R	77.7	Confident	76.9	Confident	225 Å²	225	66.7 Å²	66.7	85%	0.849	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	28.9	-169.9	-53.8	-178.5	-179.4	177.3	0.1	113.8	D286	D286-R290 WeakPolarHBondContact O-CA 3.48Å; D286-R290 PolarHBondContact O-N 2.94Å
291	T	73.4	Confident	76.8	Confident	45 Å²	45	65.8 Å²	65.8	28%	0.276	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	169.5	176	64.1	0	0	0	0	111.7	D286 T289	D286-T291 PolarHBondContact N-O 3.42Å; D286-T291 PolarHBondContact O-N 3.31Å; T289-T291 PolarHBondContact O-N 2.93Å; T289-T291 WeakPolarHBondContact OG1-CG2 3.39Å; T289-T291 PolarHBondContact OG1-N 2.82Å; T289-T291 PolarHBondContact OG1-OG1 2.82Å
292	T	81.7	Confident	77.2	Confident	80 Å²	80	62.3 Å²	62.3	49%	0.491	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	157.5	172	61.9	0	0	0	0	111.1	Y283 Y284 V285	Y283-T292 HydrophobicContact CD2-CG2 4.24Å; Y283-T292 HydrophobicContact CE2-CG2 4.25Å; Y284-T292 CarbonylContact O-C 3.58Å; Y284-T292 WeakPolarHBondContact O-CA 3.44Å; V285-T292 HydrophobicContact CB-CG2 4.45Å; V285-T292 HydrophobicContact CG1-CG2 4.39Å; V285-T292 HydrophobicContact CG2-CG2 4.03Å
293	T	77.8	Confident	77.3	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.012	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	155.9	171.3	-179.3	0	0	0	0	111.1	W272 Y284 Q295 M301 M508	W272-T293 HydrophobicContact CH2-CG2 3.92Å; W272-T293 HydrophobicContact CZ3-CG2 3.75Å; Y284-T293 PolarHBondContact N-O 3.11Å; Y284-T293 PolarHBondContact O-N 2.86Å; T293-Q295 VanDerWaalsContact CG2-O 3.24Å; T293-Q295 WeakPolarHBondContact CG2-O 3.23Å; T293-Q295 PolarHBondContact OG1-N 3.18Å; T293-M301 HydrophobicContact CG2-CE 4.47Å; T293-M508 VanDerWaalsContact CB-O 3.31Å; T293-M508 WeakPolarHBondContact CB-O 3.4Å; T293-M508 HydrophobicContact CG2-SD 3.84Å; T293-M508 PolarHBondContact OG1-O 2.88Å
294	W	78.4	Confident	77	Confident	61 Å²	61	63.7 Å²	63.7	23%	0.231	32%	0.315	C	S	.	.	S	Bend	trans	-86.2	-20.1	175.3	-60.1	100.7	0	0	0	113	R281 V530 P532	R281-W294 HydrophobicContact CB-CZ3 4.22Å; W294-V530 HydrophobicContact CB-CG1 4.08Å; W294-V530 VanDerWaalsContact CB-O 3.28Å; W294-V530 WeakPolarHBondContact CB-O 3.45Å; W294-P532 HydrophobicContact CD2-CG 4.31Å; W294-P532 HydrophobicContact CH2-CG 4.18Å; W294-P532 HydrophobicContact CZ2-CG 3.79Å
295	Q	71.8	Confident	76.5	Confident	56 Å²	56	63.4 Å²	63.4	26%	0.262	31%	0.314	S	S	.	.	S	Bend	trans	-90	144.3	174.5	-79.5	-175.5	2.5	0	0	111.6	Y284 T293 M301 C510 V530	Y284-Q295 VanDerWaalsContact CD2-O 3.28Å; Y284-Q295 WeakPolarHBondContact CD2-O 3.37Å; T293-Q295 VanDerWaalsContact CG2-O 3.24Å; T293-Q295 WeakPolarHBondContact CG2-O 3.23Å; T293-Q295 PolarHBondContact OG1-N 3.18Å; Q295-M301 HydrophobicContact CB-CE 4.02Å; Q295-M301 HydrophobicContact CB-SD 4.39Å; Q295-C510 HydrophobicContact CG-CB 4.41Å; Q295-C510 WeakPolarHBondContact CG-SG 3.5Å; Q295-V530 HydrophobicContact CG-CB 4.21Å; Q295-V530 HydrophobicContact CG-CG1 3.69Å
296	R	77.1	Confident	76.2	Confident	73 Å²	73	68.6 Å²	68.6	28%	0.275	34%	0.338	S	S	.	.			trans	-63.6	125.6	175.8	-169.7	173.5	-171.1	-92	-9.9	110.2	S264 V266 S267 L268 Y284 T298	S264-R296 PolarHBondContact OG-NE 2.75Å; S264-R296 PolarHBondContact OG-NH1 2.86Å; S264-R296 PolarHBondContact OG-NH2 2.75Å; S264-R296 VanDerWaalsContact OG-NH2 3.11Å; V266-R296 PolarHBondContact O-NH2 3.39Å; S267-R296 PolarHBondContact O-NH2 3.11Å; L268-R296 HydrophobicContact CD2-CG 4.19Å; Y284-R296 HydrophobicContact CD2-CB 4.45Å; Y284-R296 HydrophobicContact CE1-CB 4.39Å; Y284-R296 HydrophobicContact CE1-CG 3.98Å; Y284-R296 HydrophobicContact CE2-CB 3.76Å; Y284-R296 HydrophobicContact CE2-CG 4.26Å; R296-T298 PolarHBondContact O-N 3.28Å
297	P	72.5	Confident	75.7	Confident	3 Å²	3	71.9 Å²	71.9	2%	0.019	35%	0.353	C	S	.	.			trans	-64.7	103.1	-176.2	26.9	-37.5	0	0	0	110.9	L268 P269 W272 L302	L268-P297 HydrophobicContact CD2-CG 3.85Å; P269-P297 HydrophobicContact CG-CB 4.43Å; P269-P297 HydrophobicContact CG-CG 4.42Å; W272-P297 HydrophobicContact CB-CG 4.3Å; W272-P297 HydrophobicContact CD2-CB 3.8Å; W272-P297 HydrophobicContact CD2-CG 3.62Å; W272-P297 HydrophobicContact CE3-CB 3.96Å; W272-P297 HydrophobicContact CE3-CG 3.62Å; W272-P297 HydrophobicContact CG-CB 4.39Å; W272-P297 HydrophobicContact CG-CG 3.97Å; W272-P297 HydrophobicContact CH2-CB 4.05Å; W272-P297 HydrophobicContact CZ2-CB 3.92Å; W272-P297 HydrophobicContact CZ3-CB 4.08Å; W272-P297 HydrophobicContact CZ3-CG 4.11Å; P297-L302 HydrophobicContact CB-CD2 4.43Å
298	T	75.8	Confident	75.2	Confident	73 Å²	73	67.9 Å²	67.9	45%	0.448	33%	0.334	S	S	.	.			trans	-88.4	156.3	174	67.4	0	0	0	0	111	R296 N300 M301 L302	R296-T298 PolarHBondContact O-N 3.28Å; T298-N300 PolarHBondContact O-N 2.95Å; T298-M301 WeakPolarHBondContact O-CB 3.45Å; T298-M301 PolarHBondContact O-N 2.94Å; T298-M301 VanDerWaalsContact O-N 3.08Å; T298-M301 WeakPolarHBondContact OG1-CB 3.28Å; T298-M301 PolarHBondContact OG1-N 3.45Å; T298-M301 VanDerWaalsContact OG1-N 3.15Å; T298-L302 WeakPolarHBondContact O-CG 3.23Å; T298-L302 PolarHBondContact O-N 2.99Å
299	Q	73.1	Confident	74.9	Confident	124 Å²	124	66.7 Å²	66.7	58%	0.579	32%	0.324	S	S	*	.	H	α-helix	trans	-56.7	-34.9	175.6	-179.1	63.9	-6.5	0	0	112.3	Q303	Q299-Q303 WeakPolarHBondContact O-CB 3.48Å; Q299-Q303 VanDerWaalsContact O-CG 3.27Å; Q299-Q303 WeakPolarHBondContact O-CG 3.36Å; Q299-Q303 PolarHBondContact O-N 3.49Å
300	N	71.5	Confident	74.8	Confident	126 Å²	126	67.9 Å²	67.9	67%	0.674	34%	0.335	S	S	*	.	H	α-helix	trans	-68.8	-43.4	175.9	-65.5	-6.3	0	0	0	111.7	T298 Q303 A304	T298-N300 PolarHBondContact O-N 2.95Å; N300-Q303 PolarHBondContact O-N 3.45Å; N300-A304 WeakPolarHBondContact O-CB 3.45Å; N300-A304 PolarHBondContact O-N 3.21Å
301	M	70.6	Confident	74.2	Confident	16 Å²	16	59.9 Å²	59.9	8%	0.079	31%	0.313	C	S	.	.	H	α-helix	trans	-63.1	-42.7	177	-171.1	-171.6	-162.6	0	0	111.7	T293 Q295 T298 A304 H305 P507 M508	T293-M301 HydrophobicContact CG2-CE 4.47Å; Q295-M301 HydrophobicContact CB-CE 4.02Å; Q295-M301 HydrophobicContact CB-SD 4.39Å; T298-M301 WeakPolarHBondContact O-CB 3.45Å; T298-M301 PolarHBondContact O-N 2.94Å; T298-M301 VanDerWaalsContact O-N 3.08Å; T298-M301 WeakPolarHBondContact OG1-CB 3.28Å; T298-M301 PolarHBondContact OG1-N 3.45Å; T298-M301 VanDerWaalsContact OG1-N 3.15Å; M301-A304 PolarHBondContact O-N 2.77Å; M301-H305 WeakPolarHBondContact O-CB 3.48Å; M301-H305 PolarHBondContact O-N 3.17Å; M301-P507 VanDerWaalsContact CE-O 3.29Å; M301-P507 WeakPolarHBondContact CE-O 3.37Å; M301-P507 HydrophobicContact CG-CB 4.32Å; M301-M508 HydrophobicContact CE-SD 3.72Å; M301-M508 HydrophobicContact SD-SD 4.22Å
302	L	78	Confident	74	Confident	26 Å²	26	60.7 Å²	60.7	14%	0.136	31%	0.311	C	S	.	.	H	α-helix	trans	-64.1	-43.3	175.7	-68.8	-179.8	0	0	0	112.2	P269 W272 P297 T298 H305 Q306 M508	P269-L302 HydrophobicContact CB-CD1 3.79Å; P269-L302 HydrophobicContact CG-CD1 3.72Å; W272-L302 HydrophobicContact CZ2-CD2 3.64Å; P297-L302 HydrophobicContact CB-CD2 4.43Å; T298-L302 WeakPolarHBondContact O-CG 3.23Å; T298-L302 PolarHBondContact O-N 2.99Å; L302-H305 PolarHBondContact O-N 3.27Å; L302-Q306 WeakPolarHBondContact O-CB 3.37Å; L302-Q306 VanDerWaalsContact O-CG 3.31Å; L302-Q306 WeakPolarHBondContact O-CG 3.46Å; L302-Q306 PolarHBondContact O-N 3.37Å; L302-M508 HydrophobicContact CD2-CE 4.11Å
303	Q	77.7	Confident	73.4	Confident	80 Å²	80	62.6 Å²	62.6	37%	0.374	32%	0.318	S	S	.	.	H	α-helix	trans	-64.3	-39.2	175.2	-74.4	176.5	22.9	0	0	112.3	Q299 N300 Q307	Q299-Q303 WeakPolarHBondContact O-CB 3.48Å; Q299-Q303 VanDerWaalsContact O-CG 3.27Å; Q299-Q303 WeakPolarHBondContact O-CG 3.36Å; Q299-Q303 PolarHBondContact O-N 3.49Å; N300-Q303 PolarHBondContact O-N 3.45Å; Q303-Q307 WeakPolarHBondContact O-CB 3.13Å; Q303-Q307 WeakPolarHBondContact O-CG 3.3Å; Q303-Q307 PolarHBondContact O-N 3.13Å; Q303-Q307 PolarHBondContact O-NE2 3.14Å
304	A	72	Confident	72.9	Confident	32 Å²	32	68 Å²	68	26%	0.264	34%	0.343	S	S	.	.	H	α-helix	trans	-64	-43.8	174.7	0	0	0	0	0	111.7	N300 M301 Q307 W308 P507	N300-A304 WeakPolarHBondContact O-CB 3.45Å; N300-A304 PolarHBondContact O-N 3.21Å; M301-A304 PolarHBondContact O-N 2.77Å; A304-Q307 PolarHBondContact O-N 3.26Å; A304-W308 WeakPolarHBondContact O-CB 2.98Å; A304-W308 PolarHBondContact O-N 2.83Å; A304-P507 HydrophobicContact CB-CG 4.18Å
305	H	73.9	Confident	72.6	Confident	12 Å²	12	65.2 Å²	65.2	6%	0.056	33%	0.333	C	S	.	.	H	α-helix	trans	-64.7	-42.6	176.7	-176.1	83.2	0	0	0	112.2	M301 L302 Q307 W308 Q309 N506 M508	M301-H305 WeakPolarHBondContact O-CB 3.48Å; M301-H305 PolarHBondContact O-N 3.17Å; L302-H305 PolarHBondContact O-N 3.27Å; H305-Q307 PolarHBondContact O-N 3.16Å; H305-W308 AromaticContact CE1-CE3 3.8Å; H305-W308 AromaticContact CE1-CZ3 3.57Å; H305-W308 AromaticContact ND1-CE3 3.76Å; H305-W308 AromaticContact ND1-CZ3 3.99Å; H305-W308 PolarHBondContact O-N 3.14Å; H305-Q309 PolarHBondContact CD2-NE2 2.77Å; H305-Q309 PolarHBondContact NE2-NE2 2.66Å; H305-Q309 WeakPolarHBondContact O-CG 3.23Å; H305-Q309 PolarHBondContact O-N 3.45Å; H305-N506 PolarHBondContact CE1-OD1 2.89Å; H305-N506 PolarHBondContact ND1-OD1 2.93Å; H305-M508 HydrophobicContact CB-CE 4.07Å
306	Q	76.8	Confident	72.8	Confident	125 Å²	125	64.5 Å²	64.5	58%	0.584	33%	0.33	S	S	*	.	H	α-helix	trans	-61.7	-40.9	174.4	-74.5	172.9	-5	0	0	112.6	L302 Q309 S310	L302-Q306 WeakPolarHBondContact O-CB 3.37Å; L302-Q306 VanDerWaalsContact O-CG 3.31Å; L302-Q306 WeakPolarHBondContact O-CG 3.46Å; L302-Q306 PolarHBondContact O-N 3.37Å; Q306-Q309 PolarHBondContact O-N 3.39Å; Q306-S310 PolarHBondContact O-N 3.38Å
307	Q	73	Confident	72.5	Confident	77 Å²	77	67.6 Å²	67.6	36%	0.36	35%	0.348	S	S	.	.	H	α-helix	trans	-68.2	-37.9	176	-70.8	165.9	47.8	0	0	112.1	Q303 A304 H305 S310 C311	Q303-Q307 WeakPolarHBondContact O-CB 3.13Å; Q303-Q307 WeakPolarHBondContact O-CG 3.3Å; Q303-Q307 PolarHBondContact O-N 3.13Å; Q303-Q307 PolarHBondContact O-NE2 3.14Å; A304-Q307 PolarHBondContact O-N 3.26Å; H305-Q307 PolarHBondContact O-N 3.16Å; Q307-S310 PolarHBondContact O-N 2.92Å; Q307-S310 PolarHBondContact O-OG 3.31Å; Q307-S310 VanDerWaalsContact O-OG 3.1Å; Q307-C311 PolarHBondContact O-N 2.79Å; Q307-C311 PolarHBondContact O-SG 3.35Å
308	W	72.5	Confident	72.5	Confident	16 Å²	16	70.2 Å²	70.2	6%	0.061	36%	0.36	C	S	.	.	H	α-helix	trans	-63.2	-39.6	173.8	165.4	86.5	0	0	0	111.9	A304 H305 H502 E503 N506	A304-W308 WeakPolarHBondContact O-CB 2.98Å; A304-W308 PolarHBondContact O-N 2.83Å; H305-W308 AromaticContact CE1-CE3 3.8Å; H305-W308 AromaticContact CE1-CZ3 3.57Å; H305-W308 AromaticContact ND1-CE3 3.76Å; H305-W308 AromaticContact ND1-CZ3 3.99Å; H305-W308 PolarHBondContact O-N 3.14Å; W308-H502 AromaticContact CD1-CE1 3.57Å; W308-H502 AromaticContact CD1-NE2 3.57Å; W308-H502 AromaticContact CE2-CD2 3.55Å; W308-H502 AromaticContact CE2-NE2 3.51Å; W308-H502 AromaticContact CG-NE2 3.99Å; W308-H502 AromaticContact CZ2-CD2 3.64Å; W308-H502 AromaticContact NE1-CD2 3.42Å; W308-H502 PolarHBondContact NE1-CD2 2.83Å; W308-H502 AromaticContact NE1-CE1 3.53Å; W308-H502 AromaticContact NE1-CG 3.75Å; W308-H502 AromaticContact NE1-ND1 3.82Å; W308-H502 AromaticContact NE1-NE2 3.27Å; W308-H502 PolarHBondContact NE1-NE2 3.1Å; W308-H502 PolarHBondContact NE1-O 2.72Å; W308-H502 PolarHBondContact O-CE1 3.02Å; W308-H502 PolarHBondContact O-NE2 3.18Å; W308-E503 VanDerWaalsContact CH2-OE2 3.29Å; W308-E503 WeakPolarHBondContact CH2-OE2 3.2Å; W308-E503 WeakPolarHBondContact CZ2-OE2 3.36Å; W308-N506 HydrophobicContact CD2-CB 4.42Å; W308-N506 HydrophobicContact CH2-CB 4.05Å; W308-N506 HydrophobicContact CZ2-CB 3.9Å; W308-N506 HydrophobicContact CZ3-CB 4.35Å
309	Q	73.7	Confident	72.4	Confident	90 Å²	90	67.3 Å²	67.3	42%	0.421	34%	0.341	S	S	.	.	H	α-helix	trans	-63.9	-49.9	171.6	-70	-173.9	9.3	0	0	111.6	H305 Q306 C311 R312	H305-Q309 PolarHBondContact CD2-NE2 2.77Å; H305-Q309 PolarHBondContact NE2-NE2 2.66Å; H305-Q309 WeakPolarHBondContact O-CG 3.23Å; H305-Q309 PolarHBondContact O-N 3.45Å; Q306-Q309 PolarHBondContact O-N 3.39Å; Q309-C311 VanDerWaalsContact C-N 3.27Å; Q309-C311 PolarHBondContact O-N 3.04Å; Q309-R312 WeakPolarHBondContact O-CB 3.35Å; Q309-R312 PolarHBondContact O-N 3.09Å; Q309-R312 VanDerWaalsContact O-N 3.15Å
310	S	70.9	Confident	72.6	Confident	84 Å²	84	66.9 Å²	66.9	59%	0.587	34%	0.339	S	S	*	.	H	α-helix	trans	-65.9	-22.5	-168.8	68.4	0	0	0	0	115.3	Q306 Q307	Q306-S310 PolarHBondContact O-N 3.38Å; Q307-S310 PolarHBondContact O-N 2.92Å; Q307-S310 PolarHBondContact O-OG 3.31Å; Q307-S310 VanDerWaalsContact O-OG 3.1Å
311	C	66.8	Low	72.9	Confident	57 Å²	57	67.8 Å²	67.8	39%	0.385	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-9.7	179.4	-59.4	0	0	0	0	113.9	Q307 Q309 D313 A315	Q307-C311 PolarHBondContact O-N 2.79Å; Q307-C311 PolarHBondContact O-SG 3.35Å; Q309-C311 VanDerWaalsContact C-N 3.27Å; Q309-C311 PolarHBondContact O-N 3.04Å; C311-D313 PolarHBondContact O-N 2.87Å; C311-A315 WeakPolarHBondContact O-CB 3.2Å; C311-A315 PolarHBondContact O-N 3.43Å; C311-A315 VanDerWaalsContact O-N 3.14Å
312	R	69.5	Low	73.4	Confident	62 Å²	62	68.5 Å²	68.5	23%	0.234	34%	0.341	C	S	.	.	H	α-helix	trans	-58.8	-46.7	-166.9	179.6	-175.1	178.3	119.9	-7.2	114.4	Q309 M316 E503	Q309-R312 WeakPolarHBondContact O-CB 3.35Å; Q309-R312 PolarHBondContact O-N 3.09Å; Q309-R312 VanDerWaalsContact O-N 3.15Å; R312-M316 PolarHBondContact O-N 2.97Å; R312-E503 IonicContact CZ-OE1 2.78Å; R312-E503 IonicContact NH1-OE1 3.25Å; R312-E503 PolarHBondContact NH1-OE1 3.44Å; R312-E503 IonicContact NH2-OE1 2.8Å
313	D	68.2	Low	73.4	Confident	120 Å²	120	70.7 Å²	70.7	64%	0.642	35%	0.349	S	S	*	.	H	α-helix	trans	-78	-46.1	-169	-57.3	-28.4	0	0	0	111.3	C311 A315 M316	C311-D313 PolarHBondContact O-N 2.87Å; D313-A315 PolarHBondContact O-N 3.18Å; D313-M316 WeakPolarHBondContact O-CB 3.3Å; D313-M316 PolarHBondContact O-N 3.47Å
314	Q	68	Low	73.3	Confident	116 Å²	116	67.7 Å²	67.7	54%	0.542	34%	0.336	S	S	.	.	H	α-helix	trans	-62.7	-31.5	175.2	-52.3	179.2	-4.9	0	0	112.1	M316 V739	Q314-M316 VanDerWaalsContact C-N 3.31Å; Q314-M316 PolarHBondContact O-N 2.74Å; Q314-V739 HydrophobicContact CB-CG1 3.82Å
315	A	71.6	Confident	73	Confident	2 Å²	2	69 Å²	69	2%	0.017	33%	0.334	C	S	.	.	H	α-helix	trans	-65.1	-31.6	172.7	0	0	0	0	0	113.1	C311 D313 W319 F498 Y556	C311-A315 WeakPolarHBondContact O-CB 3.2Å; C311-A315 PolarHBondContact O-N 3.43Å; C311-A315 VanDerWaalsContact O-N 3.14Å; D313-A315 PolarHBondContact O-N 3.18Å; A315-W319 WeakPolarHBondContact O-CB 3.19Å; A315-W319 PolarHBondContact O-N 2.93Å; A315-F498 HydrophobicContact CB-CE2 4.26Å; A315-F498 HydrophobicContact CB-CZ 4.01Å; A315-Y556 HydrophobicContact CB-CD2 4.05Å; A315-Y556 HydrophobicContact CB-CE1 4.34Å; A315-Y556 HydrophobicContact CB-CE2 3.39Å
316	M	75.1	Confident	71.9	Confident	41 Å²	41	73.4 Å²	73.4	20%	0.202	36%	0.364	C	S	.	.	H	α-helix	trans	-69.6	-43.9	-179.2	-168.3	-174	-82	0	0	111.4	R312 D313 Q314 Q318 W319 Q320 E495 F498 L499	R312-M316 PolarHBondContact O-N 2.97Å; D313-M316 WeakPolarHBondContact O-CB 3.3Å; D313-M316 PolarHBondContact O-N 3.47Å; Q314-M316 VanDerWaalsContact C-N 3.31Å; Q314-M316 PolarHBondContact O-N 2.74Å; M316-Q318 PolarHBondContact O-N 3.21Å; M316-W319 PolarHBondContact O-N 3.31Å; M316-Q320 WeakPolarHBondContact O-CG 3.26Å; M316-Q320 PolarHBondContact O-N 2.84Å; M316-E495 HydrophobicContact CE-CG 4.22Å; M316-F498 VanDerWaalsContact CA-CZ 3.44Å; M316-F498 HydrophobicContact CB-CD1 4.27Å; M316-F498 HydrophobicContact CB-CE1 3.57Å; M316-F498 HydrophobicContact CB-CE2 4.49Å; M316-F498 HydrophobicContact CB-CZ 3.7Å; M316-F498 HydrophobicContact CE-CD1 3.69Å; M316-F498 HydrophobicContact CE-CE1 3.71Å; M316-F498 HydrophobicContact CG-CD1 3.95Å; M316-F498 HydrophobicContact CG-CE1 3.75Å; M316-F498 HydrophobicContact CG-CZ 4.24Å; M316-L499 HydrophobicContact CE-CD2 3.7Å; M316-L499 HydrophobicContact CE-CG 4.21Å
317	E	72.1	Confident	70.1	Confident	137 Å²	137	75.2 Å²	75.2	64%	0.64	38%	0.378	S	S	*	.	H	α-helix	trans	-57.5	-47.8	-179.6	-63.3	-175.2	154.9	0	0	111.7
318	Q	71.3	Confident	68	Low	58 Å²	58	76.9 Å²	76.9	27%	0.271	39%	0.393	S	S	.	.	H	α-helix	trans	-69.7	-36.5	176.3	-69.8	-161.1	-24.4	0	0	113.2	M316 Q320 Q321 V739	M316-Q318 PolarHBondContact O-N 3.21Å; Q318-Q320 VanDerWaalsContact C-N 3.29Å; Q318-Q320 PolarHBondContact O-N 3.28Å; Q318-Q321 PolarHBondContact O-N 2.95Å; Q318-Q321 VanDerWaalsContact O-N 3.15Å; Q318-V739 PolarHBondContact NE2-O 2.91Å
319	W	73.9	Confident	65.8	Low	12 Å²	12	79.4 Å²	79.4	5%	0.045	42%	0.424	C	S	.	.	H	α-helix	trans	-64.6	-35	178.7	179.1	90.4	0	0	0	112	A315 M316 Q321 R322 R494 F498 F554	A315-W319 WeakPolarHBondContact O-CB 3.19Å; A315-W319 PolarHBondContact O-N 2.93Å; M316-W319 PolarHBondContact O-N 3.31Å; W319-Q321 PolarHBondContact O-N 3.26Å; W319-R322 PolarHBondContact O-N 3.2Å; W319-R322 VanDerWaalsContact O-N 3.17Å; W319-R494 HydrophobicContact CH2-CB 3.74Å; W319-R494 HydrophobicContact CH2-CG 4.14Å; W319-R494 WeakPolarHBondContact CH2-O 3.33Å; W319-R494 HydrophobicContact CZ3-CB 4.11Å; W319-F498 HydrophobicContact CB-CD2 3.64Å; W319-F498 HydrophobicContact CB-CE2 3.72Å; W319-F498 AromaticContact CD1-CD2 3.76Å; W319-F498 HydrophobicContact CD2-CB 3.78Å; W319-F498 AromaticContact CD2-CD2 3.55Å; W319-F498 HydrophobicContact CD2-CD2 3.55Å; W319-F498 AromaticContact CD2-CG 3.96Å; W319-F498 HydrophobicContact CD2-CG 3.96Å; W319-F498 HydrophobicContact CE3-CB 3.76Å; W319-F498 HydrophobicContact CE3-CD2 4.04Å; W319-F498 HydrophobicContact CE3-CG 4.03Å; W319-F498 HydrophobicContact CG-CB 4.47Å; W319-F498 AromaticContact CG-CD2 3.34Å; W319-F498 HydrophobicContact CG-CD2 3.34Å; W319-F498 AromaticContact CG-CE2 3.93Å; W319-F498 HydrophobicContact CG-CE2 3.93Å; W319-F498 HydrophobicContact CG-CG 4.22Å; W319-F498 HydrophobicContact CH2-CB 3.99Å; W319-F498 HydrophobicContact CZ2-CB 4Å; W319-F498 HydrophobicContact CZ3-CB 3.87Å; W319-F554 HydrophobicContact CZ2-CB 4.08Å; W319-F554 VanDerWaalsContact CZ2-O 3.29Å; W319-F554 WeakPolarHBondContact CZ2-O 3.37Å
320	Q	77.6	Confident	63.7	Low	115 Å²	115	84 Å²	84	54%	0.537	45%	0.445	S	S	.	.	H	α-helix	trans	-62.4	-23	174.9	-71.8	-179.9	29.1	0	0	113.5	M316 Q318	M316-Q320 WeakPolarHBondContact O-CG 3.26Å; M316-Q320 PolarHBondContact O-N 2.84Å; Q318-Q320 VanDerWaalsContact C-N 3.29Å; Q318-Q320 PolarHBondContact O-N 3.28Å
321	Q	77.5	Confident	61.7	Low	145 Å²	145	88.8 Å²	88.8	68%	0.678	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-5.9	178.7	-61.6	177.1	4.1	0	0	113.7	Q318 W319	Q318-Q321 PolarHBondContact O-N 2.95Å; Q318-Q321 VanDerWaalsContact O-N 3.15Å; W319-Q321 PolarHBondContact O-N 3.26Å
322	R	81.8	Confident	59.8	Low	31 Å²	31	93.8 Å²	93.8	12%	0.117	48%	0.481	C	S	.	.			trans	-74.6	145.2	-177.5	-63.1	-168.9	-166.8	164.4	4.4	112.8	W319 F554 I555 Y556 C683 M685	W319-R322 PolarHBondContact O-N 3.2Å; W319-R322 VanDerWaalsContact O-N 3.17Å; R322-F554 HydrophobicContact CB-CD2 4.04Å; R322-F554 HydrophobicContact CB-CE2 4.36Å; R322-F554 WeakPolarHBondContact O-CE2 3.34Å; R322-I555 PolarHBondContact NH1-O 3.2Å; R322-Y556 PolarHBondContact NH1-O 3.47Å; R322-Y556 VanDerWaalsContact NH1-O 3.11Å; R322-Y556 PolarHBondContact NH2-O 2.84Å; R322-C683 WeakPolarHBondContact CD-O 3.19Å; R322-C683 PolarHBondContact NH1-O 3.18Å; R322-M685 CarbonylContact C-O 3.57Å; R322-M685 VanDerWaalsContact CA-O 3.22Å; R322-M685 WeakPolarHBondContact CA-O 3.45Å; R322-M685 WeakPolarHBondContact CB-O 3.36Å
323	F	78	Confident	57.7	Low	73 Å²	73	93.8 Å²	93.8	32%	0.32	50%	0.5	S	S	.	.	B	Isolated β-bridge	trans	-142.3	177.4	-176.7	60.2	-93.9	0	0	0	112.3	M685 E687	F323-M685 HydrophobicContact CD2-CB 4.4Å; F323-M685 HydrophobicContact CE2-CB 4.2Å; F323-M685 HydrophobicContact CE2-CE 4.44Å; F323-M685 PolarHBondContact N-O 3.3Å; F323-M685 PolarHBondContact O-N 2.63Å; F323-E687 HydrophobicContact CE1-CB 4.36Å
324	L	75.2	Confident	55.8	Low	17 Å²	17	96.9 Å²	96.9	9%	0.089	51%	0.511	C	S	.	.	S	Bend	trans	-124.6	-72.3	165	-87.5	171.4	0	0	0	108.9	F428 I432 F554 L680 L681 M685	L324-F428 HydrophobicContact CD2-CE1 3.87Å; L324-F428 HydrophobicContact CD2-CZ 3.96Å; L324-I432 HydrophobicContact CD1-CD1 4.2Å; L324-I432 HydrophobicContact CD2-CD1 4.01Å; L324-F554 HydrophobicContact CB-CZ 4.34Å; L324-F554 HydrophobicContact CD1-CE1 3.71Å; L324-F554 HydrophobicContact CD1-CZ 4.11Å; L324-F554 HydrophobicContact CG-CE1 3.74Å; L324-F554 HydrophobicContact CG-CZ 3.83Å; L324-L680 HydrophobicContact CD2-CB 4.49Å; L324-L680 WeakPolarHBondContact CD2-O 3.41Å; L324-L681 HydrophobicContact CD1-CD1 3.91Å; L324-M685 HydrophobicContact CD2-CE 4.42Å; L324-M685 WeakPolarHBondContact O-CE 3.47Å
325	Y	66.6	Low	54	Low	58 Å²	58	97.4 Å²	97.4	23%	0.227	52%	0.522	C	S	.	.	S	Bend	trans	-129.5	148.8	157.1	-53.6	-79.5	0	0	0	107	N327 F428 R429 I432 E722	Y325-N327 PolarHBondContact O-N 3.4Å; Y325-F428 WeakPolarHBondContact OH-CD1 3.34Å; Y325-R429 HydrophobicContact CD2-CB 4.49Å; Y325-R429 HydrophobicContact CD2-CG 4.27Å; Y325-R429 HydrophobicContact CE1-CB 4.34Å; Y325-R429 HydrophobicContact CE2-CB 3.78Å; Y325-R429 HydrophobicContact CE2-CG 4.05Å; Y325-R429 PolarHBondContact OH-N 2.94Å; Y325-I432 HydrophobicContact CD2-CD1 4.32Å; Y325-I432 HydrophobicContact CE2-CD1 3.76Å; Y325-E722 PolarHBondContact OH-OE2 3.11Å
326	P	49.1	Very low	52.2	Low	106 Å²	106	103 Å²	103	69%	0.688	56%	0.562	S	S	*	*			trans	-59.1	135	176.3	24.1	-33.6	0	0	0	110.2	V328	P326-V328 PolarHBondContact O-N 2.75Å; P326-V328 VanDerWaalsContact O-N 3.17Å
327	N	39.6	Very low	50.6	Low	162 Å²	162	107.8 Å²	107.8	87%	0.866	59%	0.588	S	S	*	*			trans	-63.9	116.7	170.2	-103.6	-8.4	0	0	0	108.3	Y325 G329	Y325-N327 PolarHBondContact O-N 3.4Å; N327-G329 VanDerWaalsContact C-N 3.26Å; N327-G329 PolarHBondContact O-N 3.4Å
328	V	28	Very low	49.6	Very low	113 Å²	113	105.6 Å²	105.6	69%	0.685	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	80.6	-179.2	-174.2	0	0	0	0	109.3	P326	P326-V328 PolarHBondContact O-N 2.75Å; P326-V328 VanDerWaalsContact O-N 3.17Å
329	G	27.3	Very low	49	Very low	68 Å²	68	109.2 Å²	109.2	70%	0.701	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-176.2	7.1	-175.1	0	0	0	0	0	118.5	N327	N327-G329 VanDerWaalsContact C-N 3.26Å; N327-G329 PolarHBondContact O-N 3.4Å
330	Q	29.8	Very low	48.8	Very low	188 Å²	188	110.2 Å²	110.2	88%	0.879	61%	0.609	S	S	*	*	S	Bend	trans	-136.1	2.9	177.9	-77.6	-166	-50.6	0	0	116.7
331	H	28.1	Very low	48.6	Very low	183 Å²	183	107.7 Å²	107.7	85%	0.847	60%	0.603	S	S	*	*			trans	-105.8	115.8	166.7	-112.3	-84.6	0	0	0	110.8
332	N	27.3	Very low	48.2	Very low	162 Å²	162	109.9 Å²	109.9	87%	0.866	61%	0.613	S	S	*	*			trans	-75.8	142.1	158	-74.7	-23.3	0	0	0	108.2
333	G	25.9	Very low	48	Very low	63 Å²	63	109.9 Å²	109.9	65%	0.649	62%	0.623	S	S	*	*	S	Bend	trans	94.2	118.6	173.1	0	0	0	0	0	114.7
334	E	28.7	Very low	48.2	Very low	184 Å²	184	108.6 Å²	108.6	86%	0.86	62%	0.616	S	S	*	*			trans	65.2	108.2	143.4	-58.6	-179.3	167.7	0	0	119.9
335	T	28.6	Very low	48.5	Very low	127 Å²	127	111 Å²	111	78%	0.779	63%	0.627	S	S	*	*			trans	59.5	94.8	146.6	55.4	0	0	0	0	119.4
336	S	34.9	Very low	49.4	Very low	121 Å²	121	111.7 Å²	111.7	85%	0.846	63%	0.631	S	S	*	*				-146.8	106.9	129.3	40.5	0	0	0	0	109.2	E338	S336-E338 PolarHBondContact O-N 3.21Å
337	D	41.1	Very low	51.2	Low	140 Å²	140	111.6 Å²	111.6	75%	0.749	62%	0.617	S	S	*	*			trans	-77	106.8	-174.8	-66.6	-58.7	0	0	0	111.5	V339	D337-V339 VanDerWaalsContact C-N 3.28Å; D337-V339 PolarHBondContact O-N 2.73Å
338	E	51.8	Low	53.3	Low	91 Å²	91	110 Å²	110	43%	0.425	60%	0.599	S	S	.	*			trans	-64.8	98.2	149.1	-79.3	-170.2	160.4	0	0	107.2	S336 L340 Q369 R429	S336-E338 PolarHBondContact O-N 3.21Å; E338-L340 PolarHBondContact O-N 2.74Å; E338-Q369 PolarHBondContact OE2-NE2 2.91Å; E338-R429 IonicContact OE1-CZ 3.39Å; E338-R429 IonicContact OE1-NE 2.7Å; E338-R429 IonicContact OE1-NH2 3.53Å; E338-R429 PolarHBondContact OE1-NH2 3.44Å
339	V	58.6	Low	55.7	Low	134 Å²	134	106.5 Å²	106.5	81%	0.812	58%	0.577	S	S	*	*			trans	-50.8	102.5	-174.8	-177.9	0	0	0	0	110.3	D337	D337-V339 VanDerWaalsContact C-N 3.28Å; D337-V339 PolarHBondContact O-N 2.73Å
340	L	69.5	Low	57.9	Low	33 Å²	33	112 Å²	112	17%	0.173	59%	0.589	C	S	.	*	P	Polyproline II helix	trans	-70.2	153.3	171.6	-58.2	174	0	0	0	108.8	E338 W344 K346 Y357 Q369 P370	E338-L340 PolarHBondContact O-N 2.74Å; L340-W344 HydrophobicContact CB-CB 3.77Å; L340-W344 HydrophobicContact CD1-CB 4.18Å; L340-W344 WeakPolarHBondContact CD1-O 3.46Å; L340-K346 HydrophobicContact CD1-CB 4.07Å; L340-Y357 HydrophobicContact CD1-CD1 4.19Å; L340-Y357 HydrophobicContact CD2-CD1 4.03Å; L340-Y357 HydrophobicContact CD2-CE1 4.02Å; L340-Q369 HydrophobicContact CD2-CG 4.1Å; L340-P370 HydrophobicContact CD2-CG 4Å
341	P	73.2	Confident	59.8	Low	63 Å²	63	108.3 Å²	108.3	41%	0.409	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-57.1	153.8	173.1	-21.2	33.2	0	0	0	111.1	G343 W344 P370	P341-G343 PolarHBondContact O-N 2.69Å; P341-W344 WeakPolarHBondContact O-CB 3.11Å; P341-W344 VanDerWaalsContact O-CD1 3.32Å; P341-W344 PolarHBondContact O-N 3.08Å; P341-W344 VanDerWaalsContact O-N 3.07Å; P341-P370 HydrophobicContact CG-CB 4.24Å; P341-P370 HydrophobicContact CG-CG 4.37Å
342	E	69.6	Low	62.1	Low	191 Å²	191	103 Å²	103	89%	0.893	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.1	131.4	-175	-169	177.5	173.3	0	0	111.9
343	G	76.2	Confident	64.5	Low	30 Å²	30	97.7 Å²	97.7	31%	0.309	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	80.5	16.9	-176.6	0	0	0	0	0	115.6	P341 N359 H360	P341-G343 PolarHBondContact O-N 2.69Å; G343-N359 CarbonylContact O-C 3.56Å; G343-H360 WeakPolarHBondContact O-CB 3.08Å; G343-H360 PolarHBondContact O-CD2 2.92Å; G343-H360 PolarHBondContact O-N 3.47Å
344	W	82.8	Confident	67	Low	46 Å²	46	100.9 Å²	100.9	17%	0.174	54%	0.544	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	137.7	170.1	-70.9	82	0	0	0	112.8	L340 P341 V358 N359 Q366 P370	L340-W344 HydrophobicContact CB-CB 3.77Å; L340-W344 HydrophobicContact CD1-CB 4.18Å; L340-W344 WeakPolarHBondContact CD1-O 3.46Å; P341-W344 WeakPolarHBondContact O-CB 3.11Å; P341-W344 VanDerWaalsContact O-CD1 3.32Å; P341-W344 PolarHBondContact O-N 3.08Å; P341-W344 VanDerWaalsContact O-N 3.07Å; W344-V358 CarbonylContact C-O 3.55Å; W344-V358 VanDerWaalsContact CA-O 3.26Å; W344-V358 WeakPolarHBondContact CA-O 3.39Å; W344-N359 HydrophobicContact CD2-CB 3.73Å; W344-N359 HydrophobicContact CE3-CB 3.71Å; W344-N359 HydrophobicContact CG-CB 4.47Å; W344-N359 HydrophobicContact CH2-CB 3.83Å; W344-N359 HydrophobicContact CZ2-CB 3.84Å; W344-N359 WeakPolarHBondContact CZ2-ND2 3.27Å; W344-N359 HydrophobicContact CZ3-CB 3.76Å; W344-N359 PolarHBondContact NE1-ND2 2.64Å; W344-Q366 HydrophobicContact CH2-CG 4.08Å; W344-Q366 HydrophobicContact CZ3-CG 3.76Å; W344-P370 HydrophobicContact CB-CG 4.28Å; W344-P370 HydrophobicContact CD2-CB 3.66Å; W344-P370 HydrophobicContact CD2-CG 3.6Å; W344-P370 HydrophobicContact CE3-CB 3.86Å; W344-P370 HydrophobicContact CE3-CG 3.68Å; W344-P370 HydrophobicContact CG-CB 4.26Å; W344-P370 HydrophobicContact CG-CG 3.92Å; W344-P370 HydrophobicContact CH2-CB 3.88Å; W344-P370 HydrophobicContact CZ2-CB 3.68Å; W344-P370 HydrophobicContact CZ3-CB 3.97Å; W344-P370 HydrophobicContact CZ3-CG 4.18Å
345	E	82.6	Confident	69.6	Low	69 Å²	69	94.1 Å²	94.1	32%	0.322	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	138.3	177.3	-171.1	-160.8	142.9	0	0	110.3	R347 Y357 V358 H360	E345-R347 HydrophobicContact CG-CG 4.43Å; E345-R347 WeakPolarHBondContact OE1-CG 3.44Å; E345-R347 IonicContact OE1-CZ 3.39Å; E345-R347 IonicContact OE1-NE 3.22Å; E345-R347 PolarHBondContact OE1-NE 3.47Å; E345-R347 IonicContact OE1-NH2 2.72Å; E345-R347 PolarHBondContact OE1-NH2 2.81Å; E345-R347 IonicContact OE2-CZ 3.2Å; E345-R347 IonicContact OE2-NE 2.74Å; E345-R347 PolarHBondContact OE2-NE 3.17Å; E345-R347 IonicContact OE2-NH2 2.74Å; E345-R347 PolarHBondContact OE2-NH2 3.37Å; E345-Y357 CarbonylContact O-C 3.56Å; E345-Y357 WeakPolarHBondContact O-CA 3.18Å; E345-V358 HydrophobicContact CB-CB 4.41Å; E345-V358 PolarHBondContact N-O 2.87Å; E345-V358 PolarHBondContact O-N 3.4Å; E345-H360 WeakPolarHBondContact CB-NE2 3.41Å; E345-H360 IonicContact OE2-CE1 3.2Å; E345-H360 PolarHBondContact OE2-CE1 3.24Å; E345-H360 IonicContact OE2-NE2 3.2Å; E345-H360 PolarHBondContact OE2-NE2 2.86Å
346	K	84.2	Confident	72.3	Confident	72 Å²	72	90.6 Å²	90.6	31%	0.313	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	118.6	172.1	-177.9	179.9	-173.7	178.5	0	110	L340 Y348 P355 Y357	L340-K346 HydrophobicContact CD1-CB 4.07Å; K346-Y348 WeakPolarHBondContact CE-OH 3.26Å; K346-Y348 HydrophobicContact CG-CE2 4.5Å; K346-P355 HydrophobicContact CG-CB 4.38Å; K346-Y357 HydrophobicContact CB-CD1 3.97Å; K346-Y357 HydrophobicContact CB-CE1 3.78Å; K346-Y357 HydrophobicContact CD-CE1 3.82Å; K346-Y357 HydrophobicContact CG-CD1 4.14Å; K346-Y357 HydrophobicContact CG-CE1 3.59Å
347	R	87.1	Confident	74.8	Confident	103 Å²	103	85.4 Å²	85.4	39%	0.389	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	171.2	173	-67.5	-168.3	-178.4	-174.3	0.2	110.8	E345 P355 Y356 V358	E345-R347 HydrophobicContact CG-CG 4.43Å; E345-R347 WeakPolarHBondContact OE1-CG 3.44Å; E345-R347 IonicContact OE1-CZ 3.39Å; E345-R347 IonicContact OE1-NE 3.22Å; E345-R347 PolarHBondContact OE1-NE 3.47Å; E345-R347 IonicContact OE1-NH2 2.72Å; E345-R347 PolarHBondContact OE1-NH2 2.81Å; E345-R347 IonicContact OE2-CZ 3.2Å; E345-R347 IonicContact OE2-NE 2.74Å; E345-R347 PolarHBondContact OE2-NE 3.17Å; E345-R347 IonicContact OE2-NH2 2.74Å; E345-R347 PolarHBondContact OE2-NH2 3.37Å; R347-P355 CarbonylContact O-C 3.56Å; R347-P355 VanDerWaalsContact O-CA 3.22Å; R347-P355 WeakPolarHBondContact O-CA 3.37Å; R347-Y356 HydrophobicContact CB-CD1 4.15Å; R347-Y356 HydrophobicContact CB-CD2 4.26Å; R347-Y356 HydrophobicContact CB-CE1 3.63Å; R347-Y356 HydrophobicContact CB-CE2 3.76Å; R347-Y356 HydrophobicContact CB-CG 4.44Å; R347-Y356 VanDerWaalsContact CB-CZ 3.41Å; R347-Y356 WeakPolarHBondContact CD-OH 3.48Å; R347-Y356 HydrophobicContact CG-CE2 4.43Å; R347-Y356 PolarHBondContact N-O 3.38Å; R347-Y356 PolarHBondContact O-N 3.35Å; R347-Y356 VanDerWaalsContact O-O 3.05Å; R347-V358 HydrophobicContact CB-CG2 4.49Å; R347-V358 HydrophobicContact CG-CG2 4.01Å
348	Y	84.3	Confident	76.8	Confident	128 Å²	128	79.6 Å²	79.6	50%	0.502	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	137.4	175.7	-67	-95.8	0	0	0	109.3	K346 P355	K346-Y348 WeakPolarHBondContact CE-OH 3.26Å; K346-Y348 HydrophobicContact CG-CE2 4.5Å; Y348-P355 HydrophobicContact CD1-CB 4.13Å; Y348-P355 HydrophobicContact CE1-CB 3.94Å; Y348-P355 HydrophobicContact CE1-CG 4.48Å
349	D	78.2	Confident	78.2	Confident	41 Å²	41	76 Å²	76	22%	0.219	40%	0.404	C	S	.	.			trans	-73.1	129.5	171.5	167.2	50.1	0	0	0	110.4	S351 S352 G353 R354 Y356 W367	D349-S351 PolarHBondContact O-N 2.72Å; D349-S351 PolarHBondContact OD1-N 3.21Å; D349-S351 PolarHBondContact OD2-N 3.47Å; D349-S351 PolarHBondContact OD2-OG 2.94Å; D349-S352 VanDerWaalsContact OD2-CB 3.3Å; D349-S352 WeakPolarHBondContact OD2-CB 3.45Å; D349-S352 PolarHBondContact OD2-N 3.28Å; D349-S352 PolarHBondContact OD2-OG 2.91Å; D349-G353 WeakPolarHBondContact O-CA 3.48Å; D349-G353 PolarHBondContact O-N 3.07Å; D349-R354 PolarHBondContact N-O 2.91Å; D349-Y356 HydrophobicContact CB-CD1 4.35Å; D349-Y356 HydrophobicContact CB-CE1 4.47Å; D349-W367 HydrophobicContact CB-CH2 4.1Å; D349-W367 HydrophobicContact CB-CZ3 4.2Å
350	L	72.5	Confident	79.3	Confident	182 Å²	182	74 Å²	74	95%	0.953	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-22.7	-178.1	-71.4	164.4	0	0	0	113.2
351	S	70.6	Confident	79.6	Confident	111 Å²	111	78 Å²	78	78%	0.776	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-31.7	-177.2	80.9	0	0	0	0	114.2	D349	D349-S351 PolarHBondContact O-N 2.72Å; D349-S351 PolarHBondContact OD1-N 3.21Å; D349-S351 PolarHBondContact OD2-N 3.47Å; D349-S351 PolarHBondContact OD2-OG 2.94Å
352	S	76.6	Confident	80	Confident	72 Å²	72	79.1 Å²	79.1	50%	0.503	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-11.5	-171.9	63.6	0	0	0	0	114.6	D349 R354	D349-S352 VanDerWaalsContact OD2-CB 3.3Å; D349-S352 WeakPolarHBondContact OD2-CB 3.45Å; D349-S352 PolarHBondContact OD2-N 3.28Å; D349-S352 PolarHBondContact OD2-OG 2.91Å; S352-R354 PolarHBondContact O-N 3.31Å; S352-R354 VanDerWaalsContact O-N 3.13Å; S352-R354 WeakPolarHBondContact OG-CB 3.41Å; S352-R354 PolarHBondContact OG-N 2.93Å
353	G	76.8	Confident	80.4	Confident	51 Å²	51	80.8 Å²	80.8	53%	0.526	41%	0.412	S	S	.	.			trans	65.4	6	-170.9	0	0	0	0	0	113.9	D349	D349-G353 WeakPolarHBondContact O-CA 3.48Å; D349-G353 PolarHBondContact O-N 3.07Å
354	R	78.4	Confident	80.5	Confident	129 Å²	129	82.2 Å²	82.2	49%	0.487	42%	0.415	S	S	.	.			trans	-75.2	132.8	-178.8	-174.1	179.4	175.8	171.7	1	110.2	D349 S352 W367	D349-R354 PolarHBondContact N-O 2.91Å; S352-R354 PolarHBondContact O-N 3.31Å; S352-R354 VanDerWaalsContact O-N 3.13Å; S352-R354 WeakPolarHBondContact OG-CB 3.41Å; S352-R354 PolarHBondContact OG-N 2.93Å; R354-W367 HydrophobicContact CB-CZ3 4.12Å; R354-W367 HydrophobicContact CG-CE3 3.96Å; R354-W367 HydrophobicContact CG-CZ3 4.06Å
355	P	82.9	Confident	80.6	Confident	42 Å²	42	84.5 Å²	84.5	27%	0.273	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	143.1	172.1	28	-34	0	0	0	111.5	K346 R347 Y348	K346-P355 HydrophobicContact CG-CB 4.38Å; R347-P355 CarbonylContact O-C 3.56Å; R347-P355 VanDerWaalsContact O-CA 3.22Å; R347-P355 WeakPolarHBondContact O-CA 3.37Å; Y348-P355 HydrophobicContact CD1-CB 4.13Å; Y348-P355 HydrophobicContact CE1-CB 3.94Å; Y348-P355 HydrophobicContact CE1-CG 4.48Å
356	Y	86.4	Confident	80.5	Confident	54 Å²	54	82.9 Å²	82.9	21%	0.212	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	155.9	167.3	69.8	-88	0	0	0	109.6	R347 D349 V358 T365 Q366 W367	R347-Y356 HydrophobicContact CB-CD1 4.15Å; R347-Y356 HydrophobicContact CB-CD2 4.26Å; R347-Y356 HydrophobicContact CB-CE1 3.63Å; R347-Y356 HydrophobicContact CB-CE2 3.76Å; R347-Y356 HydrophobicContact CB-CG 4.44Å; R347-Y356 VanDerWaalsContact CB-CZ 3.41Å; R347-Y356 WeakPolarHBondContact CD-OH 3.48Å; R347-Y356 HydrophobicContact CG-CE2 4.43Å; R347-Y356 PolarHBondContact N-O 3.38Å; R347-Y356 PolarHBondContact O-N 3.35Å; R347-Y356 VanDerWaalsContact O-O 3.05Å; D349-Y356 HydrophobicContact CB-CD1 4.35Å; D349-Y356 HydrophobicContact CB-CE1 4.47Å; Y356-V358 HydrophobicContact CD2-CG2 4.04Å; Y356-V358 HydrophobicContact CE2-CG2 3.62Å; Y356-T365 HydrophobicContact CD2-CG2 4.26Å; Y356-T365 HydrophobicContact CE2-CG2 4.18Å; Y356-Q366 WeakPolarHBondContact CA-O 3.44Å; Y356-W367 HydrophobicContact CD1-CZ3 4.41Å
357	Y	87.1	Confident	80.2	Confident	12 Å²	12	85.3 Å²	85.3	5%	0.047	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.7	-173.3	-59.2	-87.1	0	0	0	109.4	L340 E345 K346 T365 Q366 E368 Q369	L340-Y357 HydrophobicContact CD1-CD1 4.19Å; L340-Y357 HydrophobicContact CD2-CD1 4.03Å; L340-Y357 HydrophobicContact CD2-CE1 4.02Å; E345-Y357 CarbonylContact O-C 3.56Å; E345-Y357 WeakPolarHBondContact O-CA 3.18Å; K346-Y357 HydrophobicContact CB-CD1 3.97Å; K346-Y357 HydrophobicContact CB-CE1 3.78Å; K346-Y357 HydrophobicContact CD-CE1 3.82Å; K346-Y357 HydrophobicContact CG-CD1 4.14Å; K346-Y357 HydrophobicContact CG-CE1 3.59Å; Y357-T365 WeakPolarHBondContact O-CA 3.43Å; Y357-Q366 PolarHBondContact N-O 2.83Å; Y357-Q366 PolarHBondContact O-N 2.67Å; Y357-E368 VanDerWaalsContact CD2-C 3.47Å; Y357-E368 WeakPolarHBondContact CD2-O 3.38Å; Y357-Q369 HydrophobicContact CD1-CG 4.32Å; Y357-Q369 HydrophobicContact CD2-CB 4.26Å; Y357-Q369 HydrophobicContact CE1-CB 4.17Å; Y357-Q369 HydrophobicContact CE1-CG 3.7Å; Y357-Q369 VanDerWaalsContact CE2-CA 3.48Å; Y357-Q369 HydrophobicContact CE2-CB 3.69Å; Y357-Q369 HydrophobicContact CE2-CG 4.18Å
358	V	83.8	Confident	79.6	Confident	18 Å²	18	85.9 Å²	85.9	11%	0.109	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127	177.5	-173.6	0	0	0	0	108	W344 E345 R347 Y356 T365	W344-V358 CarbonylContact C-O 3.55Å; W344-V358 VanDerWaalsContact CA-O 3.26Å; W344-V358 WeakPolarHBondContact CA-O 3.39Å; E345-V358 HydrophobicContact CB-CB 4.41Å; E345-V358 PolarHBondContact N-O 2.87Å; E345-V358 PolarHBondContact O-N 3.4Å; R347-V358 HydrophobicContact CB-CG2 4.49Å; R347-V358 HydrophobicContact CG-CG2 4.01Å; Y356-V358 HydrophobicContact CD2-CG2 4.04Å; Y356-V358 HydrophobicContact CE2-CG2 3.62Å; V358-T365 HydrophobicContact CB-CG2 4.43Å; V358-T365 HydrophobicContact CG1-CG2 4.31Å; V358-T365 HydrophobicContact CG2-CG2 4.01Å
359	N	81.5	Confident	78.9	Confident	15 Å²	15	80.8 Å²	80.8	8%	0.08	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	114.9	168.3	177.5	-31.6	0	0	0	108.3	G343 W344 V361 N362 R363 T364	G343-N359 CarbonylContact O-C 3.56Å; W344-N359 HydrophobicContact CD2-CB 3.73Å; W344-N359 HydrophobicContact CE3-CB 3.71Å; W344-N359 HydrophobicContact CG-CB 4.47Å; W344-N359 HydrophobicContact CH2-CB 3.83Å; W344-N359 HydrophobicContact CZ2-CB 3.84Å; W344-N359 WeakPolarHBondContact CZ2-ND2 3.27Å; W344-N359 HydrophobicContact CZ3-CB 3.76Å; W344-N359 PolarHBondContact NE1-ND2 2.64Å; N359-V361 WeakPolarHBondContact OD1-CA 3.45Å; N359-V361 VanDerWaalsContact OD1-CB 3.28Å; N359-V361 WeakPolarHBondContact OD1-CB 3.39Å; N359-V361 PolarHBondContact OD1-N 3.48Å; N359-N362 WeakPolarHBondContact CB-OD1 3.18Å; N359-N362 VanDerWaalsContact CG-CG 3.48Å; N359-N362 PolarHBondContact O-OD1 3.38Å; N359-N362 PolarHBondContact OD1-N 2.92Å; N359-N362 PolarHBondContact OD1-OD1 3.08Å; N359-R363 CarbonylContact O-C 3.52Å; N359-R363 WeakPolarHBondContact O-CA 3.48Å; N359-R363 PolarHBondContact O-N 3.23Å; N359-T364 PolarHBondContact N-O 3.23Å; N359-T364 PolarHBondContact O-N 2.92Å
360	H	81.4	Confident	78.1	Confident	91 Å²	91	79.5 Å²	79.5	42%	0.421	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-22.7	-177.4	-63.7	-103.2	0	0	0	112.5	G343 E345	G343-H360 WeakPolarHBondContact O-CB 3.08Å; G343-H360 PolarHBondContact O-CD2 2.92Å; G343-H360 PolarHBondContact O-N 3.47Å; E345-H360 WeakPolarHBondContact CB-NE2 3.41Å; E345-H360 IonicContact OE2-CE1 3.2Å; E345-H360 PolarHBondContact OE2-CE1 3.24Å; E345-H360 IonicContact OE2-NE2 3.2Å; E345-H360 PolarHBondContact OE2-NE2 2.86Å
361	V	75.3	Confident	77.4	Confident	117 Å²	117	74.6 Å²	74.6	71%	0.709	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-46.8	179.7	-167.3	0	0	0	0	110.7	N359	N359-V361 WeakPolarHBondContact OD1-CA 3.45Å; N359-V361 VanDerWaalsContact OD1-CB 3.28Å; N359-V361 WeakPolarHBondContact OD1-CB 3.39Å; N359-V361 PolarHBondContact OD1-N 3.48Å
362	N	81.7	Confident	76.4	Confident	88 Å²	88	75.4 Å²	75.4	47%	0.471	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-6.5	180	75.2	-1.2	0	0	0	114.1	N359 T364	N359-N362 WeakPolarHBondContact CB-OD1 3.18Å; N359-N362 VanDerWaalsContact CG-CG 3.48Å; N359-N362 PolarHBondContact O-OD1 3.38Å; N359-N362 PolarHBondContact OD1-N 2.92Å; N359-N362 PolarHBondContact OD1-OD1 3.08Å; N362-T364 VanDerWaalsContact C-N 3.3Å; N362-T364 VanDerWaalsContact CG-OG1 3.31Å; N362-T364 PolarHBondContact ND2-OG1 3.05Å; N362-T364 PolarHBondContact O-N 3.48Å; N362-T364 WeakPolarHBondContact OD1-CB 3.37Å; N362-T364 PolarHBondContact OD1-N 3.07Å; N362-T364 PolarHBondContact OD1-OG1 3.37Å
363	R	78.4	Confident	75.1	Confident	225 Å²	225	76.6 Å²	76.6	85%	0.849	39%	0.387	S	S	*	.			trans	61.9	24.5	-176.9	-53.9	-176.4	-179.4	-171.7	-0.2	115.5	N359	N359-R363 CarbonylContact O-C 3.52Å; N359-R363 WeakPolarHBondContact O-CA 3.48Å; N359-R363 PolarHBondContact O-N 3.23Å
364	T	77.6	Confident	73.8	Confident	61 Å²	61	77.4 Å²	77.4	37%	0.374	38%	0.379	S	S	.	.			trans	-90.4	157	173.8	66.4	0	0	0	0	112.4	N359 N362	N359-T364 PolarHBondContact N-O 3.23Å; N359-T364 PolarHBondContact O-N 2.92Å; N362-T364 VanDerWaalsContact C-N 3.3Å; N362-T364 VanDerWaalsContact CG-OG1 3.31Å; N362-T364 PolarHBondContact ND2-OG1 3.05Å; N362-T364 PolarHBondContact O-N 3.48Å; N362-T364 WeakPolarHBondContact OD1-CB 3.37Å; N362-T364 PolarHBondContact OD1-N 3.07Å; N362-T364 PolarHBondContact OD1-OG1 3.37Å
365	T	84.9	Confident	72.4	Confident	93 Å²	93	74 Å²	74	57%	0.571	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	145.8	166	60.1	0	0	0	0	110.4	Y356 Y357 V358	Y356-T365 HydrophobicContact CD2-CG2 4.26Å; Y356-T365 HydrophobicContact CE2-CG2 4.18Å; Y357-T365 WeakPolarHBondContact O-CA 3.43Å; V358-T365 HydrophobicContact CB-CG2 4.43Å; V358-T365 HydrophobicContact CG1-CG2 4.31Å; V358-T365 HydrophobicContact CG2-CG2 4.01Å
366	Q	81.5	Confident	71	Confident	36 Å²	36	74.6 Å²	74.6	17%	0.168	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	157.6	176.9	55.4	175.1	59.7	0	0	111.7	W344 Y356 Y357 E368	W344-Q366 HydrophobicContact CH2-CG 4.08Å; W344-Q366 HydrophobicContact CZ3-CG 3.76Å; Y356-Q366 WeakPolarHBondContact CA-O 3.44Å; Y357-Q366 PolarHBondContact N-O 2.83Å; Y357-Q366 PolarHBondContact O-N 2.67Å; Q366-E368 PolarHBondContact NE2-O 3.26Å
367	W	77.1	Confident	69.6	Low	123 Å²	123	79.2 Å²	79.2	47%	0.466	40%	0.398	S	S	.	.	S	Bend	trans	-90.6	-12.6	-178.8	-59.7	100.1	0	0	0	113.7	D349 R354 Y356	D349-W367 HydrophobicContact CB-CH2 4.1Å; D349-W367 HydrophobicContact CB-CZ3 4.2Å; R354-W367 HydrophobicContact CB-CZ3 4.12Å; R354-W367 HydrophobicContact CG-CE3 3.96Å; R354-W367 HydrophobicContact CG-CZ3 4.06Å; Y356-W367 HydrophobicContact CD1-CZ3 4.41Å
368	E	74.1	Confident	68.3	Low	114 Å²	114	84.6 Å²	84.6	53%	0.533	42%	0.423	S	S	.	.	S	Bend	trans	-92.1	146.3	172.3	-65	105.7	-133.5	0	0	111.4	Y357 Q366	Y357-E368 VanDerWaalsContact CD2-C 3.47Å; Y357-E368 WeakPolarHBondContact CD2-O 3.38Å; Q366-E368 PolarHBondContact NE2-O 3.26Å
369	Q	70.7	Confident	67.7	Low	21 Å²	21	89.3 Å²	89.3	10%	0.098	45%	0.454	C	S	.	.			trans	-72.2	134.8	176	-166.3	172.4	-7.6	0	0	109.7	E338 L340 Y357 S371 M372	E338-Q369 PolarHBondContact OE2-NE2 2.91Å; L340-Q369 HydrophobicContact CD2-CG 4.1Å; Y357-Q369 HydrophobicContact CD1-CG 4.32Å; Y357-Q369 HydrophobicContact CD2-CB 4.26Å; Y357-Q369 HydrophobicContact CE1-CB 4.17Å; Y357-Q369 HydrophobicContact CE1-CG 3.7Å; Y357-Q369 VanDerWaalsContact CE2-CA 3.48Å; Y357-Q369 HydrophobicContact CE2-CB 3.69Å; Y357-Q369 HydrophobicContact CE2-CG 4.18Å; Q369-S371 WeakPolarHBondContact CG-OG 3.34Å; Q369-S371 PolarHBondContact O-N 3.06Å; Q369-S371 VanDerWaalsContact O-N 3.14Å; Q369-M372 HydrophobicContact CB-CG 4.27Å; Q369-M372 HydrophobicContact CB-SD 4.45Å; Q369-M372 WeakPolarHBondContact O-CB 3.24Å; Q369-M372 PolarHBondContact O-N 2.78Å
370	P	59.7	Low	67.6	Low	14 Å²	14	90.9 Å²	90.9	9%	0.091	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-60.4	-27.1	-176.6	24.1	-36.5	0	0	0	113.8	L340 P341 W344 M372 Q373	L340-P370 HydrophobicContact CD2-CG 4Å; P341-P370 HydrophobicContact CG-CB 4.24Å; P341-P370 HydrophobicContact CG-CG 4.37Å; W344-P370 HydrophobicContact CB-CG 4.28Å; W344-P370 HydrophobicContact CD2-CB 3.66Å; W344-P370 HydrophobicContact CD2-CG 3.6Å; W344-P370 HydrophobicContact CE3-CB 3.86Å; W344-P370 HydrophobicContact CE3-CG 3.68Å; W344-P370 HydrophobicContact CG-CB 4.26Å; W344-P370 HydrophobicContact CG-CG 3.92Å; W344-P370 HydrophobicContact CH2-CB 3.88Å; W344-P370 HydrophobicContact CZ2-CB 3.68Å; W344-P370 HydrophobicContact CZ3-CB 3.97Å; W344-P370 HydrophobicContact CZ3-CG 4.18Å; P370-M372 PolarHBondContact O-N 2.8Å; P370-Q373 PolarHBondContact O-N 3.48Å
371	S	58.4	Low	67.7	Low	79 Å²	79	89.3 Å²	89.3	55%	0.552	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-69.7	-12.4	173.7	54.6	0	0	0	0	114.4	Q369	Q369-S371 WeakPolarHBondContact CG-OG 3.34Å; Q369-S371 PolarHBondContact O-N 3.06Å; Q369-S371 VanDerWaalsContact O-N 3.14Å
372	M	49.5	Very low	67.9	Low	129 Å²	129	89.2 Å²	89.2	64%	0.635	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-90.3	-13.9	174.6	-64.5	-175	-178.7	0	0	113.2	Q369 P370 N374	Q369-M372 HydrophobicContact CB-CG 4.27Å; Q369-M372 HydrophobicContact CB-SD 4.45Å; Q369-M372 WeakPolarHBondContact O-CB 3.24Å; Q369-M372 PolarHBondContact O-N 2.78Å; P370-M372 PolarHBondContact O-N 2.8Å; M372-N374 PolarHBondContact O-N 3.48Å
373	Q	49	Very low	68.1	Low	97 Å²	97	86.3 Å²	86.3	45%	0.453	46%	0.455	S	S	.	.			trans	-74.9	80.5	174.6	-75.2	177.2	-3.2	0	0	110.1	P370	P370-Q373 PolarHBondContact O-N 3.48Å
374	N	51.4	Low	68.6	Low	68 Å²	68	78.7 Å²	78.7	36%	0.364	43%	0.427	S	S	.	.			trans	-63.1	125	178.4	-164.6	-0.8	0	0	0	108.8	M372 L376 E377	M372-N374 PolarHBondContact O-N 3.48Å; N374-L376 PolarHBondContact O-N 3.49Å; N374-E377 HydrophobicContact CB-CG 4.36Å; N374-E377 PolarHBondContact O-N 2.89Å
375	P	48.6	Very low	69	Low	58 Å²	58	80.1 Å²	80.1	38%	0.377	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-55.9	-23	-178.3	-28.4	36.1	0	0	0	114	E377 Q378 T411	P375-E377 VanDerWaalsContact C-N 3.29Å; P375-E377 PolarHBondContact O-N 2.86Å; P375-Q378 PolarHBondContact O-N 3.3Å; P375-T411 HydrophobicContact CB-CG2 4.08Å
376	L	53.9	Low	69	Low	53 Å²	53	79.3 Å²	79.3	28%	0.277	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-69.7	-14.6	175	-67.5	168.9	0	0	0	114.9	N374 D408 R410 L415 L418	N374-L376 PolarHBondContact O-N 3.49Å; L376-D408 WeakPolarHBondContact CD2-OD2 3.44Å; L376-R410 PolarHBondContact O-NH1 3.29Å; L376-L415 HydrophobicContact CD1-CD2 4.46Å; L376-L415 HydrophobicContact CD2-CD2 3.7Å; L376-L418 HydrophobicContact CD2-CD1 3.86Å
377	E	55.7	Low	69.1	Low	152 Å²	152	79.5 Å²	79.5	71%	0.71	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-87.1	-13.9	173	-69.8	-170.8	140.7	0	0	113.2	N374 P375	N374-E377 HydrophobicContact CB-CG 4.36Å; N374-E377 PolarHBondContact O-N 2.89Å; P375-E377 VanDerWaalsContact C-N 3.29Å; P375-E377 PolarHBondContact O-N 2.86Å
378	Q	60.9	Low	69.2	Low	124 Å²	124	79.4 Å²	79.4	58%	0.579	43%	0.428	S	S	*	.	S	Bend	trans	-63.9	138.2	170.7	-60.9	-170.8	17.5	0	0	109.1	P375 R410	P375-Q378 PolarHBondContact O-N 3.3Å; Q378-R410 WeakPolarHBondContact O-CD 3.23Å; Q378-R410 PolarHBondContact O-NH1 3.37Å
379	P	71.3	Confident	69.5	Low	117 Å²	117	75.8 Å²	75.8	76%	0.76	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-60.1	148.7	174.3	26.9	-34.5	0	0	0	110
380	L	79.1	Confident	69.7	Low	49 Å²	49	84.8 Å²	84.8	26%	0.257	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-57.3	142.1	172.2	-70.5	169.9	0	0	0	109.8	W384 M386 F396 P409 R410	L380-W384 HydrophobicContact CB-CB 4.06Å; L380-M386 HydrophobicContact CD1-CB 3.97Å; L380-F396 HydrophobicContact CD2-CD1 3.92Å; L380-F396 HydrophobicContact CD2-CE1 3.92Å; L380-P409 HydrophobicContact CD2-CG 3.75Å; L380-R410 HydrophobicContact CD2-CG 4.45Å
381	P	82	Confident	70.3	Confident	57 Å²	57	92.8 Å²	92.8	37%	0.37	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-56.3	155	176.5	-25.2	35.7	0	0	0	111.8	G383 W384 P409	P381-G383 PolarHBondContact O-N 3.42Å; P381-W384 HydrophobicContact CB-CG 4.44Å; P381-W384 WeakPolarHBondContact O-CB 3.44Å; P381-W384 PolarHBondContact O-N 2.97Å; P381-P409 HydrophobicContact CG-CB 4.15Å; P381-P409 HydrophobicContact CG-CG 4.4Å
382	S	81.2	Confident	70.8	Confident	116 Å²	116	91.3 Å²	91.3	81%	0.811	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	130.8	-176.2	-158.9	0	0	0	0	111.3	N400	S382-N400 PolarHBondContact O-ND2 3.23Å
383	G	84.7	Confident	71.9	Confident	26 Å²	26	86.9 Å²	86.9	27%	0.268	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	1.5	-173.3	0	0	0	0	0	115.6	P381 H399	P381-G383 PolarHBondContact O-N 3.42Å; G383-H399 VanDerWaalsContact O-CB 3.26Å; G383-H399 WeakPolarHBondContact O-CB 3.45Å; G383-H399 PolarHBondContact O-CD2 2.94Å; G383-H399 VanDerWaalsContact O-CD2 3.3Å; G383-H399 PolarHBondContact O-N 2.78Å
384	W	90	Very high	73.2	Confident	66 Å²	66	84 Å²	84	25%	0.25	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	137.4	172.9	-71.6	73.5	0	0	0	112.6	L380 P381 F396 I397 D398 T405 P409	L380-W384 HydrophobicContact CB-CB 4.06Å; P381-W384 HydrophobicContact CB-CG 4.44Å; P381-W384 WeakPolarHBondContact O-CB 3.44Å; P381-W384 PolarHBondContact O-N 2.97Å; W384-F396 HydrophobicContact CE3-CB 3.97Å; W384-F396 HydrophobicContact CZ3-CB 3.99Å; W384-I397 CarbonylContact C-O 3.6Å; W384-I397 WeakPolarHBondContact CA-O 3.4Å; W384-D398 HydrophobicContact CD2-CB 3.83Å; W384-D398 HydrophobicContact CE3-CB 3.97Å; W384-D398 HydrophobicContact CH2-CB 3.83Å; W384-D398 HydrophobicContact CZ2-CB 3.63Å; W384-D398 HydrophobicContact CZ3-CB 3.99Å; W384-D398 PolarHBondContact NE1-OD1 2.9Å; W384-T405 HydrophobicContact CH2-CG2 4.01Å; W384-T405 HydrophobicContact CZ3-CG2 3.7Å; W384-P409 HydrophobicContact CB-CG 4.16Å; W384-P409 HydrophobicContact CD2-CB 3.55Å; W384-P409 HydrophobicContact CD2-CG 3.61Å; W384-P409 HydrophobicContact CE3-CB 3.59Å; W384-P409 HydrophobicContact CE3-CG 3.43Å; W384-P409 VanDerWaalsContact CE3-CG 3.43Å; W384-P409 HydrophobicContact CG-CB 4.13Å; W384-P409 HydrophobicContact CG-CG 3.96Å; W384-P409 HydrophobicContact CH2-CB 3.95Å; W384-P409 HydrophobicContact CZ2-CB 3.96Å; W384-P409 HydrophobicContact CZ3-CB 3.78Å; W384-P409 HydrophobicContact CZ3-CG 3.98Å
385	E	85.2	Confident	74.9	Confident	91 Å²	91	82.7 Å²	82.7	43%	0.425	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	154.1	177.2	178	173.4	-170.2	0	0	109.9	F396 I397 H399	E385-F396 CarbonylContact O-C 3.52Å; E385-F396 VanDerWaalsContact O-CA 3.29Å; E385-F396 WeakPolarHBondContact O-CA 3.23Å; E385-I397 HydrophobicContact CB-CB 4.34Å; E385-I397 PolarHBondContact N-O 2.77Å; E385-I397 PolarHBondContact O-N 3.24Å; E385-H399 IonicContact OE2-CD2 3.88Å; E385-H399 IonicContact OE2-CE1 3.35Å; E385-H399 PolarHBondContact OE2-CE1 3.4Å; E385-H399 IonicContact OE2-NE2 3.45Å; E385-H399 PolarHBondContact OE2-NE2 2.86Å
386	M	85	Confident	76.9	Confident	76 Å²	76	79.9 Å²	79.9	37%	0.374	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.1	173.2	-177.6	-176.4	73.9	0	0	109	L380 F388 F395 F396 L415	L380-M386 HydrophobicContact CD1-CB 3.97Å; M386-F388 HydrophobicContact CE-CE2 4.18Å; M386-F388 HydrophobicContact CE-CZ 4Å; M386-F395 WeakPolarHBondContact CA-O 3.49Å; M386-F396 HydrophobicContact CB-CD1 3.93Å; M386-F396 HydrophobicContact CB-CE1 3.92Å; M386-F396 HydrophobicContact CG-CD1 4.1Å; M386-F396 HydrophobicContact CG-CE1 3.78Å; M386-F396 HydrophobicContact CG-CZ 4.32Å; M386-F396 HydrophobicContact SD-CE1 3.97Å; M386-F396 HydrophobicContact SD-CZ 4.25Å; M386-L415 HydrophobicContact SD-CD1 4.06Å
387	S	82.9	Confident	78.5	Confident	40 Å²	40	79 Å²	79	28%	0.28	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	179.2	179.8	-163.7	0	0	0	0	110.3	P394 F395	S387-P394 CarbonylContact O-C 3.6Å; S387-P394 WeakPolarHBondContact O-CA 3.42Å; S387-F395 PolarHBondContact N-O 3.07Å; S387-F395 PolarHBondContact O-N 3.04Å; S387-F395 VanDerWaalsContact O-O 3.07Å
388	F	80.4	Confident	80.2	Confident	120 Å²	120	72.3 Å²	72.3	53%	0.526	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	144.5	-174.2	-63.3	-94.5	0	0	0	111	M386 A393 P394	M386-F388 HydrophobicContact CE-CE2 4.18Å; M386-F388 HydrophobicContact CE-CZ 4Å; F388-A393 WeakPolarHBondContact CA-O 3.31Å; F388-P394 HydrophobicContact CD1-CB 3.89Å; F388-P394 HydrophobicContact CE1-CB 3.74Å; F388-P394 HydrophobicContact CE1-CG 4.47Å; F388-P394 HydrophobicContact CZ-CB 4.47Å
389	T	79.2	Confident	81.5	Confident	38 Å²	38	71.2 Å²	71.2	23%	0.233	40%	0.395	C	S	.	.			trans	-72.9	168	168.4	64.9	0	0	0	0	111	E391 G392 A393 F395	T389-E391 PolarHBondContact O-N 3.14Å; T389-E391 PolarHBondContact OG1-N 3.3Å; T389-G392 WeakPolarHBondContact O-CA 3.28Å; T389-G392 PolarHBondContact O-N 2.67Å; T389-A393 HydrophobicContact CG2-CB 4.45Å; T389-A393 PolarHBondContact N-O 3.23Å; T389-A393 WeakPolarHBondContact OG1-CB 3.17Å; T389-A393 PolarHBondContact OG1-N 3.13Å; T389-A393 VanDerWaalsContact OG1-N 3.1Å; T389-A393 PolarHBondContact OG1-O 3.34Å; T389-F395 HydrophobicContact CG2-CD1 4.06Å; T389-F395 HydrophobicContact CG2-CE1 4.34Å
390	E	75.5	Confident	82.2	Confident	210 Å²	210	70.9 Å²	70.9	98%	0.981	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.9	173	-61.5	-176.3	161.9	0	0	112.6	G392	E390-G392 PolarHBondContact O-N 3.46Å
391	E	73.5	Confident	82.7	Confident	183 Å²	183	72.6 Å²	72.6	86%	0.855	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	0.6	172.9	-58.1	177.4	162.1	0	0	113.4	T389 A393	T389-E391 PolarHBondContact O-N 3.14Å; T389-E391 PolarHBondContact OG1-N 3.3Å; E391-A393 VanDerWaalsContact C-N 3.33Å; E391-A393 PolarHBondContact O-N 2.95Å
392	G	68.8	Low	83	Confident	47 Å²	47	78.9 Å²	78.9	49%	0.485	42%	0.421	S	S	.	.			trans	78.6	7.8	-178.4	0	0	0	0	0	115.2	T389 E390	T389-G392 WeakPolarHBondContact O-CA 3.28Å; T389-G392 PolarHBondContact O-N 2.67Å; E390-G392 PolarHBondContact O-N 3.46Å
393	A	71.7	Confident	83.5	Confident	37 Å²	37	76.8 Å²	76.8	31%	0.306	40%	0.403	S	S	.	.			trans	-77.6	124.8	177.9	0	0	0	0	0	110.7	F388 T389 E391	F388-A393 WeakPolarHBondContact CA-O 3.31Å; T389-A393 HydrophobicContact CG2-CB 4.45Å; T389-A393 PolarHBondContact N-O 3.23Å; T389-A393 WeakPolarHBondContact OG1-CB 3.17Å; T389-A393 PolarHBondContact OG1-N 3.13Å; T389-A393 VanDerWaalsContact OG1-N 3.1Å; T389-A393 PolarHBondContact OG1-O 3.34Å; E391-A393 VanDerWaalsContact C-N 3.33Å; E391-A393 PolarHBondContact O-N 2.95Å
394	P	76.1	Confident	83.8	Confident	37 Å²	37	80.1 Å²	80.1	24%	0.24	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	141.3	-179.3	29.4	-34.6	0	0	0	112.1	S387 F388 L415	S387-P394 CarbonylContact O-C 3.6Å; S387-P394 WeakPolarHBondContact O-CA 3.42Å; F388-P394 HydrophobicContact CD1-CB 3.89Å; F388-P394 HydrophobicContact CE1-CB 3.74Å; F388-P394 HydrophobicContact CE1-CG 4.47Å; F388-P394 HydrophobicContact CZ-CB 4.47Å; P394-L415 HydrophobicContact CB-CD1 3.64Å; P394-L415 HydrophobicContact CG-CB 3.94Å; P394-L415 HydrophobicContact CG-CD1 3.53Å; P394-L415 HydrophobicContact CG-CG 4.39Å
395	F	87	Confident	83.7	Confident	39 Å²	39	78.9 Å²	78.9	17%	0.171	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	164.8	171.6	71.8	-86.1	0	0	0	110.8	M386 S387 T389 I397 T404 Y406	M386-F395 WeakPolarHBondContact CA-O 3.49Å; S387-F395 PolarHBondContact N-O 3.07Å; S387-F395 PolarHBondContact O-N 3.04Å; S387-F395 VanDerWaalsContact O-O 3.07Å; T389-F395 HydrophobicContact CG2-CD1 4.06Å; T389-F395 HydrophobicContact CG2-CE1 4.34Å; F395-I397 HydrophobicContact CD2-CG1 4.15Å; F395-I397 HydrophobicContact CE2-CD1 4.05Å; F395-I397 HydrophobicContact CE2-CG1 3.64Å; F395-T404 HydrophobicContact CD2-CG2 4.31Å; F395-T404 HydrophobicContact CE2-CG2 4.05Å; F395-Y406 HydrophobicContact CB-CD1 3.94Å; F395-Y406 HydrophobicContact CB-CE1 4.02Å
396	F	90	Very high	83.8	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	140.3	-176.5	-57.7	-88.9	0	0	0	110.6	L380 W384 E385 M386 T404 T405 N407 D408 P409 L415	L380-F396 HydrophobicContact CD2-CD1 3.92Å; L380-F396 HydrophobicContact CD2-CE1 3.92Å; W384-F396 HydrophobicContact CE3-CB 3.97Å; W384-F396 HydrophobicContact CZ3-CB 3.99Å; E385-F396 CarbonylContact O-C 3.52Å; E385-F396 VanDerWaalsContact O-CA 3.29Å; E385-F396 WeakPolarHBondContact O-CA 3.23Å; M386-F396 HydrophobicContact CB-CD1 3.93Å; M386-F396 HydrophobicContact CB-CE1 3.92Å; M386-F396 HydrophobicContact CG-CD1 4.1Å; M386-F396 HydrophobicContact CG-CE1 3.78Å; M386-F396 HydrophobicContact CG-CZ 4.32Å; M386-F396 HydrophobicContact SD-CE1 3.97Å; M386-F396 HydrophobicContact SD-CZ 4.25Å; F396-T404 CarbonylContact O-C 3.56Å; F396-T404 VanDerWaalsContact O-CA 3.24Å; F396-T404 WeakPolarHBondContact O-CA 3.31Å; F396-T405 HydrophobicContact CB-CG2 4.38Å; F396-T405 PolarHBondContact N-O 3.41Å; F396-T405 PolarHBondContact O-N 3Å; F396-N407 WeakPolarHBondContact CD2-O 3.33Å; F396-D408 HydrophobicContact CD2-CB 4.32Å; F396-D408 HydrophobicContact CE1-CB 4.15Å; F396-D408 HydrophobicContact CE2-CB 3.56Å; F396-D408 HydrophobicContact CZ-CB 3.45Å; F396-D408 VanDerWaalsContact CZ-CB 3.45Å; F396-D408 VanDerWaalsContact CZ-CG 3.41Å; F396-D408 VanDerWaalsContact CZ-OD2 3.26Å; F396-D408 WeakPolarHBondContact CZ-OD2 3.41Å; F396-P409 HydrophobicContact CD1-CG 4.49Å; F396-L415 HydrophobicContact CE2-CD1 3.92Å; F396-L415 HydrophobicContact CE2-CG 4.19Å; F396-L415 HydrophobicContact CZ-CD1 3.51Å; F396-L415 HydrophobicContact CZ-CG 3.95Å
397	I	89.2	Confident	83.8	Confident	35 Å²	35	80.8 Å²	80.8	18%	0.179	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	122	178.9	-55.1	167.9	0	0	0	107	W384 E385 F395 T404	W384-I397 CarbonylContact C-O 3.6Å; W384-I397 WeakPolarHBondContact CA-O 3.4Å; E385-I397 HydrophobicContact CB-CB 4.34Å; E385-I397 PolarHBondContact N-O 2.77Å; E385-I397 PolarHBondContact O-N 3.24Å; F395-I397 HydrophobicContact CD2-CG1 4.15Å; F395-I397 HydrophobicContact CE2-CD1 4.05Å; F395-I397 HydrophobicContact CE2-CG1 3.64Å; I397-T404 HydrophobicContact CG1-CG2 4.07Å; I397-T404 HydrophobicContact CG2-CG2 4.47Å
398	D	89.9	Confident	83.6	Confident	10 Å²	10	78.9 Å²	78.9	5%	0.053	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	101.9	169.8	178.4	23.9	0	0	0	109.6	W384 N400 T401 K402 T403	W384-D398 HydrophobicContact CD2-CB 3.83Å; W384-D398 HydrophobicContact CE3-CB 3.97Å; W384-D398 HydrophobicContact CH2-CB 3.83Å; W384-D398 HydrophobicContact CZ2-CB 3.63Å; W384-D398 HydrophobicContact CZ3-CB 3.99Å; W384-D398 PolarHBondContact NE1-OD1 2.9Å; D398-N400 PolarHBondContact O-N 2.9Å; D398-N400 WeakPolarHBondContact OD1-CB 3.41Å; D398-N400 PolarHBondContact OD1-N 2.95Å; D398-N400 PolarHBondContact OD1-ND2 3.47Å; D398-T401 PolarHBondContact O-N 2.87Å; D398-T401 VanDerWaalsContact OD2-CB 3.28Å; D398-T401 WeakPolarHBondContact OD2-CB 3.24Å; D398-T401 WeakPolarHBondContact OD2-CG2 3.44Å; D398-T401 PolarHBondContact OD2-N 3.44Å; D398-T401 VanDerWaalsContact OD2-N 3.12Å; D398-T401 PolarHBondContact OD2-OG1 2.95Å; D398-K402 WeakPolarHBondContact O-CA 3.32Å; D398-K402 PolarHBondContact O-N 2.88Å; D398-T403 PolarHBondContact N-O 2.91Å; D398-T403 PolarHBondContact O-N 3.18Å
399	H	88	Confident	83.7	Confident	102 Å²	102	74.9 Å²	74.9	47%	0.472	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-16.5	175.8	-66.2	-84.1	0	0	0	113	G383 E385	G383-H399 VanDerWaalsContact O-CB 3.26Å; G383-H399 WeakPolarHBondContact O-CB 3.45Å; G383-H399 PolarHBondContact O-CD2 2.94Å; G383-H399 VanDerWaalsContact O-CD2 3.3Å; G383-H399 PolarHBondContact O-N 2.78Å; E385-H399 IonicContact OE2-CD2 3.88Å; E385-H399 IonicContact OE2-CE1 3.35Å; E385-H399 PolarHBondContact OE2-CE1 3.4Å; E385-H399 IonicContact OE2-NE2 3.45Å; E385-H399 PolarHBondContact OE2-NE2 2.86Å
400	N	86.2	Confident	83.7	Confident	109 Å²	109	75.7 Å²	75.7	58%	0.583	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-47.4	176.5	-53.8	-77.5	0	0	0	111.2	S382 D398	S382-N400 PolarHBondContact O-ND2 3.23Å; D398-N400 PolarHBondContact O-N 2.9Å; D398-N400 WeakPolarHBondContact OD1-CB 3.41Å; D398-N400 PolarHBondContact OD1-N 2.95Å; D398-N400 PolarHBondContact OD1-ND2 3.47Å
401	T	90.7	Very high	83.6	Confident	86 Å²	86	67.6 Å²	67.6	53%	0.528	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-12	176.5	60.5	0	0	0	0	114.1	D398 T403	D398-T401 PolarHBondContact O-N 2.87Å; D398-T401 VanDerWaalsContact OD2-CB 3.28Å; D398-T401 WeakPolarHBondContact OD2-CB 3.24Å; D398-T401 WeakPolarHBondContact OD2-CG2 3.44Å; D398-T401 PolarHBondContact OD2-N 3.44Å; D398-T401 VanDerWaalsContact OD2-N 3.12Å; D398-T401 PolarHBondContact OD2-OG1 2.95Å; T401-T403 VanDerWaalsContact C-N 3.32Å; T401-T403 PolarHBondContact OG1-OG1 3.1Å
402	K	88.1	Confident	83.7	Confident	188 Å²	188	61.4 Å²	61.4	82%	0.817	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	40.7	-169.5	-54.9	-176.3	-178.7	-177.8	0	112.8	D398	D398-K402 WeakPolarHBondContact O-CA 3.32Å; D398-K402 PolarHBondContact O-N 2.88Å
403	T	90.7	Very high	83.8	Confident	72 Å²	72	63.8 Å²	63.8	44%	0.442	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	163.7	177.2	65.8	0	0	0	0	111.5	D398 T401	D398-T403 PolarHBondContact N-O 2.91Å; D398-T403 PolarHBondContact O-N 3.18Å; T401-T403 VanDerWaalsContact C-N 3.32Å; T401-T403 PolarHBondContact OG1-OG1 3.1Å
404	T	91	Very high	83.6	Confident	96 Å²	96	64.1 Å²	64.1	59%	0.589	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.1	147.1	173.7	58	0	0	0	0	110.3	F395 F396 I397	F395-T404 HydrophobicContact CD2-CG2 4.31Å; F395-T404 HydrophobicContact CE2-CG2 4.05Å; F396-T404 CarbonylContact O-C 3.56Å; F396-T404 VanDerWaalsContact O-CA 3.24Å; F396-T404 WeakPolarHBondContact O-CA 3.31Å; I397-T404 HydrophobicContact CG1-CG2 4.07Å; I397-T404 HydrophobicContact CG2-CG2 4.47Å
405	T	89.2	Confident	82.9	Confident	41 Å²	41	64.4 Å²	64.4	25%	0.252	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	149.5	-179.9	179.2	0	0	0	0	111.1	W384 F396 N407	W384-T405 HydrophobicContact CH2-CG2 4.01Å; W384-T405 HydrophobicContact CZ3-CG2 3.7Å; F396-T405 HydrophobicContact CB-CG2 4.38Å; F396-T405 PolarHBondContact N-O 3.41Å; F396-T405 PolarHBondContact O-N 3Å; T405-N407 WeakPolarHBondContact CG2-O 3.22Å; T405-N407 PolarHBondContact OG1-N 3.01Å; T405-N407 VanDerWaalsContact OG1-N 3.14Å
406	Y	87.2	Confident	81.2	Confident	138 Å²	138	66.5 Å²	66.5	54%	0.541	37%	0.365	S	S	.	.	S	Bend	trans	-76.6	-14.7	170.9	-67.1	-78.3	0	0	0	112.7	F395 P414	F395-Y406 HydrophobicContact CB-CD1 3.94Å; F395-Y406 HydrophobicContact CB-CE1 4.02Å; Y406-P414 VanDerWaalsContact O-CA 3.25Å; Y406-P414 WeakPolarHBondContact O-CA 3.23Å
407	N	83.8	Confident	79	Confident	68 Å²	68	68 Å²	68	36%	0.364	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	125.4	-178	-63.6	-17.6	0	0	0	111.4	F396 T405 P414	F396-N407 WeakPolarHBondContact CD2-O 3.33Å; T405-N407 WeakPolarHBondContact CG2-O 3.22Å; T405-N407 PolarHBondContact OG1-N 3.01Å; T405-N407 VanDerWaalsContact OG1-N 3.14Å; N407-P414 VanDerWaalsContact OD1-CD 3.29Å; N407-P414 WeakPolarHBondContact OD1-CD 3.42Å
408	D	80	Confident	76.4	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	123.7	177.1	-171	-43.8	0	0	0	110.3	L376 F396 R410 T411 G412 K413 L418	L376-D408 WeakPolarHBondContact CD2-OD2 3.44Å; F396-D408 HydrophobicContact CD2-CB 4.32Å; F396-D408 HydrophobicContact CE1-CB 4.15Å; F396-D408 HydrophobicContact CE2-CB 3.56Å; F396-D408 HydrophobicContact CZ-CB 3.45Å; F396-D408 VanDerWaalsContact CZ-CB 3.45Å; F396-D408 VanDerWaalsContact CZ-CG 3.41Å; F396-D408 VanDerWaalsContact CZ-OD2 3.26Å; F396-D408 WeakPolarHBondContact CZ-OD2 3.41Å; D408-R410 PolarHBondContact O-N 2.84Å; D408-R410 VanDerWaalsContact O-N 3.08Å; D408-R410 WeakPolarHBondContact OD1-CB 3.44Å; D408-R410 WeakPolarHBondContact OD1-CG 3.44Å; D408-R410 IonicContact OD1-CZ 3.94Å; D408-R410 PolarHBondContact OD1-N 3.09Å; D408-R410 IonicContact OD1-NE 2.83Å; D408-R410 PolarHBondContact OD1-NE 3.44Å; D408-R410 IonicContact OD1-NH2 3.9Å; D408-R410 IonicContact OD2-CZ 3.35Å; D408-R410 IonicContact OD2-NE 3.82Å; D408-R410 PolarHBondContact OD2-NE 3.44Å; D408-R410 IonicContact OD2-NH2 3.96Å; D408-R410 PolarHBondContact OD2-NH2 3.49Å; D408-T411 PolarHBondContact O-N 2.87Å; D408-T411 PolarHBondContact O-OG1 3.18Å; D408-G412 PolarHBondContact O-N 2.85Å; D408-K413 PolarHBondContact N-O 3.2Å; D408-L418 HydrophobicContact CB-CD1 3.92Å
409	P	81.1	Confident	73.9	Confident	36 Å²	36	69.7 Å²	69.7	23%	0.234	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-18.9	-177.6	28.4	-38.8	0	0	0	113.7	L380 P381 W384 F396 T411	L380-P409 HydrophobicContact CD2-CG 3.75Å; P381-P409 HydrophobicContact CG-CB 4.15Å; P381-P409 HydrophobicContact CG-CG 4.4Å; W384-P409 HydrophobicContact CB-CG 4.16Å; W384-P409 HydrophobicContact CD2-CB 3.55Å; W384-P409 HydrophobicContact CD2-CG 3.61Å; W384-P409 HydrophobicContact CE3-CB 3.59Å; W384-P409 HydrophobicContact CE3-CG 3.43Å; W384-P409 VanDerWaalsContact CE3-CG 3.43Å; W384-P409 HydrophobicContact CG-CB 4.13Å; W384-P409 HydrophobicContact CG-CG 3.96Å; W384-P409 HydrophobicContact CH2-CB 3.95Å; W384-P409 HydrophobicContact CZ2-CB 3.96Å; W384-P409 HydrophobicContact CZ3-CB 3.78Å; W384-P409 HydrophobicContact CZ3-CG 3.98Å; F396-P409 HydrophobicContact CD1-CG 4.49Å; P409-T411 VanDerWaalsContact C-N 3.31Å
410	R	79.7	Confident	71.4	Confident	56 Å²	56	70.2 Å²	70.2	21%	0.211	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-12.2	178.2	-57	167.7	-70.6	-178.9	5.5	112.8	L376 Q378 L380 D408	L376-R410 PolarHBondContact O-NH1 3.29Å; Q378-R410 WeakPolarHBondContact O-CD 3.23Å; Q378-R410 PolarHBondContact O-NH1 3.37Å; L380-R410 HydrophobicContact CD2-CG 4.45Å; D408-R410 PolarHBondContact O-N 2.84Å; D408-R410 VanDerWaalsContact O-N 3.08Å; D408-R410 WeakPolarHBondContact OD1-CB 3.44Å; D408-R410 WeakPolarHBondContact OD1-CG 3.44Å; D408-R410 IonicContact OD1-CZ 3.94Å; D408-R410 PolarHBondContact OD1-N 3.09Å; D408-R410 IonicContact OD1-NE 2.83Å; D408-R410 PolarHBondContact OD1-NE 3.44Å; D408-R410 IonicContact OD1-NH2 3.9Å; D408-R410 IonicContact OD2-CZ 3.35Å; D408-R410 IonicContact OD2-NE 3.82Å; D408-R410 PolarHBondContact OD2-NE 3.44Å; D408-R410 IonicContact OD2-NH2 3.96Å; D408-R410 PolarHBondContact OD2-NH2 3.49Å
411	T	73	Confident	69	Low	40 Å²	40	69.4 Å²	69.4	25%	0.245	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.2	-16.1	-172.5	74.5	0	0	0	0	114.9	P375 D408 P409 K413 L418	P375-T411 HydrophobicContact CB-CG2 4.08Å; D408-T411 PolarHBondContact O-N 2.87Å; D408-T411 PolarHBondContact O-OG1 3.18Å; P409-T411 VanDerWaalsContact C-N 3.31Å; T411-K413 VanDerWaalsContact C-N 3.31Å; T411-K413 PolarHBondContact O-N 3.46Å; T411-K413 PolarHBondContact OG1-N 3.21Å; T411-K413 PolarHBondContact OG1-O 2.82Å; T411-L418 HydrophobicContact CG2-CD1 3.85Å; T411-L418 HydrophobicContact CG2-CD2 3.77Å; T411-L418 HydrophobicContact CG2-CG 4.49Å; T411-L418 WeakPolarHBondContact OG1-CD1 3.47Å
412	G	75.9	Confident	66.4	Low	52 Å²	52	67.1 Å²	67.1	54%	0.536	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	10.2	-175.6	0	0	0	0	0	115.2	D408	D408-G412 PolarHBondContact O-N 2.85Å
413	K	70.7	Confident	64	Low	97 Å²	97	60.9 Å²	60.9	42%	0.422	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	153.4	-167.5	-60.1	-179.4	-169.6	175.9	0	111.9	D408 T411 L418 L421	D408-K413 PolarHBondContact N-O 3.2Å; T411-K413 VanDerWaalsContact C-N 3.31Å; T411-K413 PolarHBondContact O-N 3.46Å; T411-K413 PolarHBondContact OG1-N 3.21Å; T411-K413 PolarHBondContact OG1-O 2.82Å; K413-L418 HydrophobicContact CB-CD2 4.4Å; K413-L421 HydrophobicContact CD-CD1 3.27Å; K413-L421 HydrophobicContact CG-CD1 4.49Å
414	P	68.1	Low	61.9	Low	45 Å²	45	61.5 Å²	61.5	29%	0.292	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	148.1	-175.8	29.1	-32.2	0	0	0	111.8	Y406 N407 A416 A417 L418	Y406-P414 VanDerWaalsContact O-CA 3.25Å; Y406-P414 WeakPolarHBondContact O-CA 3.23Å; N407-P414 VanDerWaalsContact OD1-CD 3.29Å; N407-P414 WeakPolarHBondContact OD1-CD 3.42Å; P414-A416 PolarHBondContact O-N 2.79Å; P414-A417 HydrophobicContact CG-CB 3.81Å; P414-A417 CarbonylContact O-C 3.55Å; P414-A417 WeakPolarHBondContact O-CA 3.44Å; P414-A417 WeakPolarHBondContact O-CB 3.26Å; P414-A417 PolarHBondContact O-N 2.92Å; P414-L418 PolarHBondContact O-N 3.49Å
415	L	61.7	Low	60.1	Low	42 Å²	42	58.1 Å²	58.1	22%	0.22	36%	0.362	C	S	.	.	H	α-helix	trans	-56	-36.3	-176.9	-94.9	166.1	0	0	0	113.3	L376 M386 P394 F396 A417 L418 S419	L376-L415 HydrophobicContact CD1-CD2 4.46Å; L376-L415 HydrophobicContact CD2-CD2 3.7Å; M386-L415 HydrophobicContact SD-CD1 4.06Å; P394-L415 HydrophobicContact CB-CD1 3.64Å; P394-L415 HydrophobicContact CG-CB 3.94Å; P394-L415 HydrophobicContact CG-CD1 3.53Å; P394-L415 HydrophobicContact CG-CG 4.39Å; F396-L415 HydrophobicContact CE2-CD1 3.92Å; F396-L415 HydrophobicContact CE2-CG 4.19Å; F396-L415 HydrophobicContact CZ-CD1 3.51Å; F396-L415 HydrophobicContact CZ-CG 3.95Å; L415-A417 VanDerWaalsContact C-N 3.31Å; L415-A417 PolarHBondContact O-N 3.34Å; L415-L418 HydrophobicContact CD2-CD1 4.17Å; L415-L418 HydrophobicContact CG-CD1 4.49Å; L415-L418 PolarHBondContact O-N 2.91Å; L415-L418 VanDerWaalsContact O-N 3.11Å; L415-S419 PolarHBondContact O-N 2.97Å
416	A	51.5	Low	58.9	Low	84 Å²	84	60.8 Å²	60.8	69%	0.694	38%	0.375	S	S	*	.	H	α-helix	trans	-59	-38.7	172.2	0	0	0	0	0	112.9	P414	P414-A416 PolarHBondContact O-N 2.79Å
417	A	43.2	Very low	58.5	Low	32 Å²	32	57 Å²	57	26%	0.264	37%	0.366	S	S	.	.	H	α-helix	trans	-78	-24.8	174.6	0	0	0	0	0	112.7	P414 L415 S419 V420 L421	P414-A417 HydrophobicContact CG-CB 3.81Å; P414-A417 CarbonylContact O-C 3.55Å; P414-A417 WeakPolarHBondContact O-CA 3.44Å; P414-A417 WeakPolarHBondContact O-CB 3.26Å; P414-A417 PolarHBondContact O-N 2.92Å; L415-A417 VanDerWaalsContact C-N 3.31Å; L415-A417 PolarHBondContact O-N 3.34Å; A417-S419 VanDerWaalsContact C-N 3.32Å; A417-S419 PolarHBondContact O-N 2.71Å; A417-V420 CarbonylContact O-C 3.59Å; A417-V420 WeakPolarHBondContact O-CA 3.43Å; A417-V420 WeakPolarHBondContact O-CB 3.12Å; A417-V420 PolarHBondContact O-N 3.47Å; A417-L421 HydrophobicContact CB-CD1 4.29Å; A417-L421 WeakPolarHBondContact O-CB 3.48Å; A417-L421 WeakPolarHBondContact O-CD1 3.44Å; A417-L421 VanDerWaalsContact O-CG 3.26Å; A417-L421 WeakPolarHBondContact O-CG 3.39Å; A417-L421 PolarHBondContact O-N 2.73Å
418	L	35.4	Very low	58.5	Low	16 Å²	16	53.9 Å²	53.9	8%	0.084	35%	0.349	C	S	.	.	H	α-helix	trans	-67	-32.9	175.5	-71	170	0	0	0	112.6	L376 D408 T411 K413 P414 L415 V420 L421 S422	L376-L418 HydrophobicContact CD2-CD1 3.86Å; D408-L418 HydrophobicContact CB-CD1 3.92Å; T411-L418 HydrophobicContact CG2-CD1 3.85Å; T411-L418 HydrophobicContact CG2-CD2 3.77Å; T411-L418 HydrophobicContact CG2-CG 4.49Å; T411-L418 WeakPolarHBondContact OG1-CD1 3.47Å; K413-L418 HydrophobicContact CB-CD2 4.4Å; P414-L418 PolarHBondContact O-N 3.49Å; L415-L418 HydrophobicContact CD2-CD1 4.17Å; L415-L418 HydrophobicContact CG-CD1 4.49Å; L415-L418 PolarHBondContact O-N 2.91Å; L415-L418 VanDerWaalsContact O-N 3.11Å; L418-V420 PolarHBondContact O-N 2.85Å; L418-L421 PolarHBondContact O-N 2.74Å; L418-S422 PolarHBondContact O-N 3.5Å
419	S	36.6	Very low	58.5	Low	63 Å²	63	58.2 Å²	58.2	44%	0.441	37%	0.365	S	S	.	.	H	α-helix	trans	-61.4	-24.8	169.2	-165.9	0	0	0	0	113.3	L415 A417	L415-S419 PolarHBondContact O-N 2.97Å; A417-S419 VanDerWaalsContact C-N 3.32Å; A417-S419 PolarHBondContact O-N 2.71Å
420	V	36.7	Very low	58.4	Low	113 Å²	113	60.8 Å²	60.8	69%	0.685	37%	0.37	S	S	*	.	H	α-helix	trans	-89.7	-27	176	-175.5	0	0	0	0	112.1	A417 L418	A417-V420 CarbonylContact O-C 3.59Å; A417-V420 WeakPolarHBondContact O-CA 3.43Å; A417-V420 WeakPolarHBondContact O-CB 3.12Å; A417-V420 PolarHBondContact O-N 3.47Å; L418-V420 PolarHBondContact O-N 2.85Å
421	L	34.4	Very low	58.8	Low	93 Å²	93	59.4 Å²	59.4	49%	0.487	37%	0.366	S	S	.	.	H	α-helix	trans	-95.3	-26	-173	-71.6	163.2	0	0	0	114	K413 A417 L418 G423	K413-L421 HydrophobicContact CD-CD1 3.27Å; K413-L421 HydrophobicContact CG-CD1 4.49Å; A417-L421 HydrophobicContact CB-CD1 4.29Å; A417-L421 WeakPolarHBondContact O-CB 3.48Å; A417-L421 WeakPolarHBondContact O-CD1 3.44Å; A417-L421 VanDerWaalsContact O-CG 3.26Å; A417-L421 WeakPolarHBondContact O-CG 3.39Å; A417-L421 PolarHBondContact O-N 2.73Å; L418-L421 PolarHBondContact O-N 2.74Å; L421-G423 PolarHBondContact O-N 3.15Å
422	S	36.1	Very low	59.4	Low	37 Å²	37	58.2 Å²	58.2	26%	0.259	36%	0.358	S	S	.	.	S	Bend	trans	-73.7	63.6	155.5	-70.7	0	0	0	0	109.1	L418 S424 S425	L418-S422 PolarHBondContact O-N 3.5Å; S422-S424 PolarHBondContact O-N 3.37Å; S422-S425 PolarHBondContact O-N 2.8Å; S422-S425 PolarHBondContact O-OG 2.87Å
423	G	38.1	Very low	59.6	Low	58 Å²	58	59 Å²	59	60%	0.598	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-14.4	-172.6	0	0	0	0	0	115.1	L421	L421-G423 PolarHBondContact O-N 3.15Å
424	S	45.8	Very low	60.3	Low	84 Å²	84	57.9 Å²	57.9	59%	0.587	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-27.3	171.6	-48.6	0	0	0	0	114.4	S422 N426 T427 W430	S422-S424 PolarHBondContact O-N 3.37Å; S424-N426 VanDerWaalsContact C-N 3.26Å; S424-N426 PolarHBondContact O-N 3.39Å; S424-T427 WeakPolarHBondContact O-CB 3.45Å; S424-T427 WeakPolarHBondContact O-CG2 3.42Å; S424-T427 PolarHBondContact O-N 3.28Å; S424-T427 VanDerWaalsContact O-N 3.11Å; S424-T427 PolarHBondContact O-OG1 3Å; S424-W430 VanDerWaalsContact O-CB 3.28Å; S424-W430 WeakPolarHBondContact O-CB 3.31Å
425	S	54.6	Low	61.3	Low	26 Å²	26	55.9 Å²	55.9	18%	0.182	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-1.5	-165.6	65.8	0	0	0	0	115.6	S422 W430	S422-S425 PolarHBondContact O-N 2.8Å; S422-S425 PolarHBondContact O-OG 2.87Å; S425-W430 VanDerWaalsContact O-CZ3 3.23Å; S425-W430 WeakPolarHBondContact O-CZ3 2.96Å
426	N	64.2	Low	62.5	Low	97 Å²	97	56.4 Å²	56.4	52%	0.519	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	6.3	169.8	-72.6	-45.2	0	0	0	112.7	S424 K431	S424-N426 VanDerWaalsContact C-N 3.26Å; S424-N426 PolarHBondContact O-N 3.39Å; N426-K431 VanDerWaalsContact O-CE 3.27Å; N426-K431 WeakPolarHBondContact O-CE 3.4Å
427	T	78.1	Confident	64.2	Low	59 Å²	59	59.3 Å²	59.3	36%	0.362	33%	0.331	S	S	.	.	S	Bend	trans	-71.7	146.3	177.6	62.3	0	0	0	0	111.7	S424 R429 W430 K431	S424-T427 WeakPolarHBondContact O-CB 3.45Å; S424-T427 WeakPolarHBondContact O-CG2 3.42Å; S424-T427 PolarHBondContact O-N 3.28Å; S424-T427 VanDerWaalsContact O-N 3.11Å; S424-T427 PolarHBondContact O-OG1 3Å; T427-R429 PolarHBondContact O-N 2.81Å; T427-W430 WeakPolarHBondContact O-CA 3.43Å; T427-W430 WeakPolarHBondContact O-CB 3.43Å; T427-W430 PolarHBondContact O-N 2.83Å; T427-W430 WeakPolarHBondContact OG1-CB 3.41Å; T427-W430 PolarHBondContact OG1-N 3.27Å; T427-K431 WeakPolarHBondContact O-CG 3.39Å; T427-K431 PolarHBondContact O-N 3.42Å
428	F	83.1	Confident	66.3	Low	2 Å²	2	60.4 Å²	60.4	1%	0.009	33%	0.333	C	S	.	.	H	α-helix	trans	-56.9	-37.7	177	-177.9	-133.6	0	0	0	112.7	L324 Y325 W430 K431 I432 F673 E677 L680 E722	L324-F428 HydrophobicContact CD2-CE1 3.87Å; L324-F428 HydrophobicContact CD2-CZ 3.96Å; Y325-F428 WeakPolarHBondContact OH-CD1 3.34Å; F428-W430 PolarHBondContact O-N 2.94Å; F428-K431 PolarHBondContact O-N 3.01Å; F428-I432 HydrophobicContact CD1-CD1 3.84Å; F428-I432 HydrophobicContact CD2-CD1 3.91Å; F428-I432 HydrophobicContact CD2-CG1 4.15Å; F428-I432 HydrophobicContact CE1-CD1 3.51Å; F428-I432 HydrophobicContact CE2-CD1 3.57Å; F428-I432 HydrophobicContact CE2-CG1 3.91Å; F428-I432 HydrophobicContact CG-CD1 4.03Å; F428-I432 HydrophobicContact CZ-CD1 3.37Å; F428-I432 HydrophobicContact CZ-CG1 4.19Å; F428-I432 WeakPolarHBondContact O-CB 3.45Å; F428-I432 WeakPolarHBondContact O-CG1 3.26Å; F428-I432 PolarHBondContact O-N 3.43Å; F428-F673 HydrophobicContact CD2-CD1 4.07Å; F428-F673 AromaticContact CD2-CE1 3.99Å; F428-F673 HydrophobicContact CD2-CE1 3.99Å; F428-F673 HydrophobicContact CE2-CD1 4Å; F428-F673 AromaticContact CE2-CE1 3.9Å; F428-F673 HydrophobicContact CE2-CE1 3.9Å; F428-E677 HydrophobicContact CD2-CB 3.77Å; F428-E677 HydrophobicContact CD2-CG 3.5Å; F428-E677 HydrophobicContact CE2-CB 3.57Å; F428-E677 HydrophobicContact CE2-CG 3.8Å; F428-E677 WeakPolarHBondContact CE2-O 3.33Å; F428-E677 HydrophobicContact CG-CG 4.1Å; F428-E677 HydrophobicContact CZ-CB 4.41Å; F428-L680 HydrophobicContact CD1-CD1 4.37Å; F428-L680 HydrophobicContact CE1-CB 3.83Å; F428-L680 HydrophobicContact CE1-CD1 3.79Å; F428-L680 HydrophobicContact CE1-CG 4.46Å; F428-L680 HydrophobicContact CZ-CB 3.52Å; F428-L680 HydrophobicContact CZ-CD1 4.1Å; F428-L680 HydrophobicContact CZ-CG 4.46Å; F428-E722 WeakPolarHBondContact CB-OE1 3.4Å; F428-E722 HydrophobicContact CD1-CG 4.24Å
429	R	79.9	Confident	69	Low	91 Å²	91	59.9 Å²	59.9	34%	0.343	33%	0.33	S	S	.	.	H	α-helix	trans	-53.6	-49.5	169.7	-173.1	176.9	175.4	80	-5	112.2	Y325 E338 T427 I432 S433	Y325-R429 HydrophobicContact CD2-CB 4.49Å; Y325-R429 HydrophobicContact CD2-CG 4.27Å; Y325-R429 HydrophobicContact CE1-CB 4.34Å; Y325-R429 HydrophobicContact CE2-CB 3.78Å; Y325-R429 HydrophobicContact CE2-CG 4.05Å; Y325-R429 PolarHBondContact OH-N 2.94Å; E338-R429 IonicContact OE1-CZ 3.39Å; E338-R429 IonicContact OE1-NE 2.7Å; E338-R429 IonicContact OE1-NH2 3.53Å; E338-R429 PolarHBondContact OE1-NH2 3.44Å; T427-R429 PolarHBondContact O-N 2.81Å; R429-I432 PolarHBondContact O-N 3.22Å; R429-S433 PolarHBondContact O-N 2.96Å; R429-S433 PolarHBondContact O-OG 2.66Å
430	W	80.4	Confident	71.4	Confident	89 Å²	89	63.2 Å²	63.2	34%	0.337	34%	0.34	S	S	.	.	H	α-helix	trans	-66.4	-44	178	-176.6	96.3	0	0	0	112.2	S424 S425 T427 F428 I432 S433 Q434	S424-W430 VanDerWaalsContact O-CB 3.28Å; S424-W430 WeakPolarHBondContact O-CB 3.31Å; S425-W430 VanDerWaalsContact O-CZ3 3.23Å; S425-W430 WeakPolarHBondContact O-CZ3 2.96Å; T427-W430 WeakPolarHBondContact O-CA 3.43Å; T427-W430 WeakPolarHBondContact O-CB 3.43Å; T427-W430 PolarHBondContact O-N 2.83Å; T427-W430 WeakPolarHBondContact OG1-CB 3.41Å; T427-W430 PolarHBondContact OG1-N 3.27Å; F428-W430 PolarHBondContact O-N 2.94Å; W430-I432 VanDerWaalsContact C-N 3.3Å; W430-I432 PolarHBondContact O-N 3.23Å; W430-S433 WeakPolarHBondContact O-CB 3.29Å; W430-S433 PolarHBondContact O-N 3.11Å; W430-S433 VanDerWaalsContact O-N 3.11Å; W430-Q434 HydrophobicContact CD2-CG 3.89Å; W430-Q434 HydrophobicContact CE3-CG 3.85Å; W430-Q434 HydrophobicContact CH2-CG 3.67Å; W430-Q434 HydrophobicContact CZ2-CG 3.69Å; W430-Q434 VanDerWaalsContact CZ2-NE2 3.33Å; W430-Q434 HydrophobicContact CZ3-CG 3.74Å; W430-Q434 WeakPolarHBondContact O-CG 3.43Å; W430-Q434 PolarHBondContact O-N 2.75Å
431	K	87	Confident	73.9	Confident	28 Å²	28	61 Å²	61	12%	0.122	33%	0.334	C	S	.	.	H	α-helix	trans	-57.7	-43.9	175.8	-62	175.9	-175.3	-169.7	0	111.1	N426 T427 F428 Q434 F435 Y672 F673 E677	N426-K431 VanDerWaalsContact O-CE 3.27Å; N426-K431 WeakPolarHBondContact O-CE 3.4Å; T427-K431 WeakPolarHBondContact O-CG 3.39Å; T427-K431 PolarHBondContact O-N 3.42Å; F428-K431 PolarHBondContact O-N 3.01Å; K431-Q434 PolarHBondContact O-N 3.07Å; K431-F435 WeakPolarHBondContact O-CB 3.44Å; K431-F435 PolarHBondContact O-N 2.92Å; K431-Y672 VanDerWaalsContact CD-O 3.26Å; K431-Y672 WeakPolarHBondContact CD-O 3.48Å; K431-Y672 WeakPolarHBondContact CE-O 3.32Å; K431-Y672 PolarHBondContact NZ-O 3.4Å; K431-F673 HydrophobicContact CB-CD1 3.87Å; K431-F673 HydrophobicContact CB-CE1 3.37Å; K431-F673 HydrophobicContact CB-CZ 3.92Å; K431-F673 HydrophobicContact CD-CD1 3.98Å; K431-F673 HydrophobicContact CD-CE1 4.34Å; K431-F673 HydrophobicContact CG-CE1 4.49Å; K431-F673 WeakPolarHBondContact O-CZ 3.46Å; K431-E677 WeakPolarHBondContact CD-OE2 3.44Å; K431-E677 WeakPolarHBondContact CE-OE2 3.4Å; K431-E677 VanDerWaalsContact NZ-CD 3.33Å; K431-E677 IonicContact NZ-OE1 2.9Å; K431-E677 PolarHBondContact NZ-OE1 3.24Å; K431-E677 IonicContact NZ-OE2 3.53Å; K431-E677 PolarHBondContact NZ-OE2 3.03Å
432	I	86.8	Confident	76.6	Confident	14 Å²	14	59.8 Å²	59.8	7%	0.072	33%	0.328	C	S	.	.	H	α-helix	trans	-61.2	-47.4	173.2	-76.1	168	0	0	0	111.1	L324 Y325 F428 R429 W430 Q434 F435 R436 F673 L681	L324-I432 HydrophobicContact CD1-CD1 4.2Å; L324-I432 HydrophobicContact CD2-CD1 4.01Å; Y325-I432 HydrophobicContact CD2-CD1 4.32Å; Y325-I432 HydrophobicContact CE2-CD1 3.76Å; F428-I432 HydrophobicContact CD1-CD1 3.84Å; F428-I432 HydrophobicContact CD2-CD1 3.91Å; F428-I432 HydrophobicContact CD2-CG1 4.15Å; F428-I432 HydrophobicContact CE1-CD1 3.51Å; F428-I432 HydrophobicContact CE2-CD1 3.57Å; F428-I432 HydrophobicContact CE2-CG1 3.91Å; F428-I432 HydrophobicContact CG-CD1 4.03Å; F428-I432 HydrophobicContact CZ-CD1 3.37Å; F428-I432 HydrophobicContact CZ-CG1 4.19Å; F428-I432 WeakPolarHBondContact O-CB 3.45Å; F428-I432 WeakPolarHBondContact O-CG1 3.26Å; F428-I432 PolarHBondContact O-N 3.43Å; R429-I432 PolarHBondContact O-N 3.22Å; W430-I432 VanDerWaalsContact C-N 3.3Å; W430-I432 PolarHBondContact O-N 3.23Å; I432-Q434 VanDerWaalsContact C-N 3.32Å; I432-Q434 PolarHBondContact O-N 3.45Å; I432-F435 PolarHBondContact O-N 2.88Å; I432-R436 HydrophobicContact CG2-CG 3.98Å; I432-R436 VanDerWaalsContact O-CB 3.3Å; I432-R436 WeakPolarHBondContact O-CB 3.42Å; I432-R436 WeakPolarHBondContact O-CG 3.26Å; I432-R436 PolarHBondContact O-N 3.06Å; I432-F673 HydrophobicContact CG1-CE1 4.12Å; I432-F673 HydrophobicContact CG1-CZ 4.41Å; I432-L681 HydrophobicContact CG1-CD1 4.09Å
433	S	78.6	Confident	79.2	Confident	69 Å²	69	60.7 Å²	60.7	48%	0.483	33%	0.334	S	S	.	.	H	α-helix	trans	-58.4	-42.4	177.9	-69.4	0	0	0	0	112.3	R429 W430 Y437	R429-S433 PolarHBondContact O-N 2.96Å; R429-S433 PolarHBondContact O-OG 2.66Å; W430-S433 WeakPolarHBondContact O-CB 3.29Å; W430-S433 PolarHBondContact O-N 3.11Å; W430-S433 VanDerWaalsContact O-N 3.11Å; S433-Y437 WeakPolarHBondContact O-CB 3.39Å; S433-Y437 PolarHBondContact O-N 2.64Å
434	Q	85.5	Confident	81.3	Confident	74 Å²	74	59 Å²	59	35%	0.346	32%	0.317	S	S	.	.	H	α-helix	trans	-65.1	-48.6	175.3	-68.6	-63.3	-13.3	0	0	112.2	W430 K431 I432 R436 Y437 L438	W430-Q434 HydrophobicContact CD2-CG 3.89Å; W430-Q434 HydrophobicContact CE3-CG 3.85Å; W430-Q434 HydrophobicContact CH2-CG 3.67Å; W430-Q434 HydrophobicContact CZ2-CG 3.69Å; W430-Q434 VanDerWaalsContact CZ2-NE2 3.33Å; W430-Q434 HydrophobicContact CZ3-CG 3.74Å; W430-Q434 WeakPolarHBondContact O-CG 3.43Å; W430-Q434 PolarHBondContact O-N 2.75Å; K431-Q434 PolarHBondContact O-N 3.07Å; I432-Q434 VanDerWaalsContact C-N 3.32Å; I432-Q434 PolarHBondContact O-N 3.45Å; Q434-R436 VanDerWaalsContact C-N 3.32Å; Q434-R436 PolarHBondContact O-N 2.81Å; Q434-Y437 WeakPolarHBondContact O-CB 3.42Å; Q434-Y437 PolarHBondContact O-N 2.64Å; Q434-Y437 VanDerWaalsContact O-N 3.15Å; Q434-L438 WeakPolarHBondContact O-CG 3.49Å; Q434-L438 PolarHBondContact O-N 2.68Å
435	F	90.1	Very high	82.9	Confident	3 Å²	3	59.2 Å²	59.2	1%	0.013	32%	0.319	C	S	.	.	H	α-helix	trans	-60.9	-41.1	177.5	-179.8	-105.4	0	0	0	112.2	K431 I432 L438 C439 L549 F665 W669 L670 F673 L681	K431-F435 WeakPolarHBondContact O-CB 3.44Å; K431-F435 PolarHBondContact O-N 2.92Å; I432-F435 PolarHBondContact O-N 2.88Å; F435-L438 PolarHBondContact O-N 2.93Å; F435-C439 PolarHBondContact O-N 2.94Å; F435-C439 PolarHBondContact O-SG 2.93Å; F435-L549 HydrophobicContact CE1-CB 4.38Å; F435-L549 HydrophobicContact CZ-CB 4.19Å; F435-F665 HydrophobicContact CE2-CD2 4.5Å; F435-F665 AromaticContact CE2-CE2 3.8Å; F435-F665 HydrophobicContact CE2-CE2 3.8Å; F435-F665 HydrophobicContact CE2-CZ 4.03Å; F435-F665 HydrophobicContact CZ-CE1 4.41Å; F435-F665 HydrophobicContact CZ-CE2 4.07Å; F435-F665 AromaticContact CZ-CZ 3.8Å; F435-F665 HydrophobicContact CZ-CZ 3.8Å; F435-W669 HydrophobicContact CD2-CB 4.35Å; F435-W669 HydrophobicContact CE2-CB 4.22Å; F435-W669 HydrophobicContact CE2-CE3 4.44Å; F435-L670 HydrophobicContact CD2-CD2 3.92Å; F435-L670 HydrophobicContact CE2-CD2 3.52Å; F435-L670 HydrophobicContact CZ-CD2 3.96Å; F435-F673 HydrophobicContact CB-CE2 3.8Å; F435-F673 HydrophobicContact CB-CZ 3.76Å; F435-F673 HydrophobicContact CD2-CE2 4.19Å; F435-F673 AromaticContact CG-CE2 3.95Å; F435-F673 HydrophobicContact CG-CE2 3.95Å; F435-F673 HydrophobicContact CG-CZ 4.24Å; F435-L681 HydrophobicContact CD1-CD1 4.48Å; F435-L681 HydrophobicContact CD1-CD2 4.04Å; F435-L681 HydrophobicContact CE1-CD2 4.06Å
436	R	87.6	Confident	84.6	Confident	53 Å²	53	63.9 Å²	63.9	20%	0.2	34%	0.341	C	S	.	.	H	α-helix	trans	-64	-39.7	174.8	-68.3	-76.6	159.5	-125.2	-10.3	111.5	I432 Q434 C439 M440 L549 F550	I432-R436 HydrophobicContact CG2-CG 3.98Å; I432-R436 VanDerWaalsContact O-CB 3.3Å; I432-R436 WeakPolarHBondContact O-CB 3.42Å; I432-R436 WeakPolarHBondContact O-CG 3.26Å; I432-R436 PolarHBondContact O-N 3.06Å; Q434-R436 VanDerWaalsContact C-N 3.32Å; Q434-R436 PolarHBondContact O-N 2.81Å; R436-C439 PolarHBondContact O-N 3.27Å; R436-M440 WeakPolarHBondContact O-CB 3.14Å; R436-M440 VanDerWaalsContact O-CG 3.31Å; R436-M440 WeakPolarHBondContact O-CG 3.27Å; R436-M440 PolarHBondContact O-N 2.78Å; R436-L549 PolarHBondContact NH1-O 3.15Å; R436-L549 PolarHBondContact NH2-O 2.69Å; R436-F550 PolarHBondContact NH1-O 2.84Å
437	Y	85.4	Confident	85.9	Confident	145 Å²	145	63.9 Å²	63.9	57%	0.569	34%	0.338	S	S	*	.	H	α-helix	trans	-62	-46.1	173.1	178	-98	0	0	0	112	S433 Q434 C439 M440 A441	S433-Y437 WeakPolarHBondContact O-CB 3.39Å; S433-Y437 PolarHBondContact O-N 2.64Å; Q434-Y437 WeakPolarHBondContact O-CB 3.42Å; Q434-Y437 PolarHBondContact O-N 2.64Å; Q434-Y437 VanDerWaalsContact O-N 3.15Å; Y437-C439 PolarHBondContact O-N 2.98Å; Y437-M440 PolarHBondContact O-N 3.28Å; Y437-A441 WeakPolarHBondContact O-CB 3.25Å; Y437-A441 PolarHBondContact O-N 3.43Å
438	L	89	Confident	86.6	Confident	55 Å²	55	61.6 Å²	61.6	29%	0.288	32%	0.324	S	S	.	.	H	α-helix	trans	-58.5	-45.8	175.3	-69.2	174.1	0	0	0	112.1	Q434 F435 A441 N442 W669	Q434-L438 WeakPolarHBondContact O-CG 3.49Å; Q434-L438 PolarHBondContact O-N 2.68Å; F435-L438 PolarHBondContact O-N 2.93Å; L438-A441 PolarHBondContact O-N 2.86Å; L438-N442 WeakPolarHBondContact O-CB 3.28Å; L438-N442 PolarHBondContact O-N 3.48Å; L438-N442 VanDerWaalsContact O-N 3.09Å; L438-N442 PolarHBondContact O-ND2 2.95Å; L438-W669 HydrophobicContact CB-CD2 4.38Å; L438-W669 HydrophobicContact CB-CE3 4.15Å; L438-W669 HydrophobicContact CB-CZ3 4.43Å; L438-W669 HydrophobicContact CD1-CB 4.43Å; L438-W669 HydrophobicContact CD1-CD2 4.47Å; L438-W669 HydrophobicContact CD1-CG 4.25Å
439	C	91	Very high	87.2	Confident	5 Å²	5	66.4 Å²	66.4	3%	0.034	35%	0.345	C	S	.	.	H	α-helix	trans	-62.2	-43.1	175.6	-67.9	0	0	0	0	112.3	F435 R436 Y437 N442 S443 F550	F435-C439 PolarHBondContact O-N 2.94Å; F435-C439 PolarHBondContact O-SG 2.93Å; R436-C439 PolarHBondContact O-N 3.27Å; Y437-C439 PolarHBondContact O-N 2.98Å; C439-N442 CarbonylContact O-C 3.53Å; C439-N442 PolarHBondContact O-N 2.76Å; C439-S443 PolarHBondContact O-N 3.49Å; C439-F550 HydrophobicContact CB-CD1 4.44Å; C439-F550 HydrophobicContact CB-CD2 4.09Å; C439-F550 HydrophobicContact CB-CE1 4.39Å; C439-F550 HydrophobicContact CB-CE2 4.06Å; C439-F550 HydrophobicContact CB-CG 4.29Å; C439-F550 HydrophobicContact CB-CZ 4.2Å; C439-F550 WeakPolarHBondContact O-CZ 3.45Å
440	M	87.7	Confident	87.9	Confident	132 Å²	132	62 Å²	62	65%	0.65	33%	0.329	S	S	*	.	H	α-helix	trans	-64.6	-46.1	176.6	-73	-174.1	-61.3	0	0	112.2	R436 Y437 N442 S443	R436-M440 WeakPolarHBondContact O-CB 3.14Å; R436-M440 VanDerWaalsContact O-CG 3.31Å; R436-M440 WeakPolarHBondContact O-CG 3.27Å; R436-M440 PolarHBondContact O-N 2.78Å; Y437-M440 PolarHBondContact O-N 3.28Å; M440-N442 PolarHBondContact O-N 3.43Å; M440-S443 WeakPolarHBondContact O-CB 3.34Å; M440-S443 PolarHBondContact O-N 3.24Å; M440-S443 VanDerWaalsContact O-N 3.15Å
441	A	88.2	Confident	88.6	Confident	67 Å²	67	59.7 Å²	59.7	55%	0.554	32%	0.324	S	S	*	.	H	α-helix	trans	-64.3	-24.6	179.6	0	0	0	0	0	113.3	Y437 L438	Y437-A441 WeakPolarHBondContact O-CB 3.25Å; Y437-A441 PolarHBondContact O-N 3.43Å; L438-A441 PolarHBondContact O-N 2.86Å
442	N	91.3	Very high	89	Confident	67 Å²	67	58.4 Å²	58.4	36%	0.358	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	9.3	177.5	-71.2	-92.9	0	0	0	113.5	L438 C439 M440 R474 W669	L438-N442 WeakPolarHBondContact O-CB 3.28Å; L438-N442 PolarHBondContact O-N 3.48Å; L438-N442 VanDerWaalsContact O-N 3.09Å; L438-N442 PolarHBondContact O-ND2 2.95Å; C439-N442 CarbonylContact O-C 3.53Å; C439-N442 PolarHBondContact O-N 2.76Å; M440-N442 PolarHBondContact O-N 3.43Å; N442-R474 WeakPolarHBondContact O-CD 3.41Å; N442-W669 HydrophobicContact CB-CH2 3.52Å; N442-W669 HydrophobicContact CB-CZ2 4.28Å; N442-W669 HydrophobicContact CB-CZ3 4.38Å; N442-W669 VanDerWaalsContact CG-CH2 3.44Å
443	S	89.9	Confident	89.4	Confident	56 Å²	56	58.5 Å²	58.5	39%	0.392	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-76	126.7	177.9	-171.2	0	0	0	0	110.4	C439 M440 R474	C439-S443 PolarHBondContact O-N 3.49Å; M440-S443 WeakPolarHBondContact O-CB 3.34Å; M440-S443 PolarHBondContact O-N 3.24Å; M440-S443 VanDerWaalsContact O-N 3.15Å; S443-R474 PolarHBondContact OG-O 2.81Å
444	G	82.2	Confident	89.9	Confident	24 Å²	24	58.9 Å²	58.9	25%	0.247	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-71.3	139.5	179.6	0	0	0	0	0	112	R474 R475	G444-R474 PolarHBondContact N-O 3.32Å; G444-R475 WeakPolarHBondContact O-CA 3.19Å
445	S	81.1	Confident	90.1	Very high	88 Å²	88	63.6 Å²	63.6	62%	0.615	33%	0.333	S	S	*	.	S	Bend	trans	-57.8	152.3	174.4	67.4	0	0	0	0	113.1	R475	S445-R475 PolarHBondContact O-NH1 3.35Å
446	N	89.1	Confident	90.1	Very high	123 Å²	123	67 Å²	67	66%	0.658	35%	0.352	S	S	*	.	S	Bend	trans	68.5	-166.7	-174.1	-47	-80.2	0	0	0	113.2	R476	N446-R476 PolarHBondContact O-N 2.98Å
447	H	91.4	Very high	90.4	Very high	98 Å²	98	64.7 Å²	64.7	45%	0.454	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	156.5	179.9	57.1	46.5	0	0	0	111.8	R476 Y478	H447-R476 CarbonylContact C-O 3.58Å; H447-R476 WeakPolarHBondContact CA-O 3.31Å; H447-R476 HydrophobicContact CB-CB 4.31Å; H447-R476 VanDerWaalsContact CB-O 3.23Å; H447-R476 WeakPolarHBondContact CB-O 3.35Å; H447-Y478 HydrophobicContact CB-CD1 3.77Å; H447-Y478 HydrophobicContact CB-CD2 4.28Å; H447-Y478 HydrophobicContact CB-CE1 3.97Å; H447-Y478 HydrophobicContact CB-CE2 4.46Å; H447-Y478 HydrophobicContact CB-CG 3.94Å; H447-Y478 AromaticContact CD2-CD2 3.65Å; H447-Y478 AromaticContact CD2-CE2 3.37Å; H447-Y478 WeakPolarHBondContact CD2-CE2 3.48Å; H447-Y478 AromaticContact CD2-CZ 3.7Å; H447-Y478 AromaticContact CG-CD2 3.91Å; H447-Y478 AromaticContact NE2-CE2 3.99Å
448	V	94.3	Very high	90.7	Very high	10 Å²	10	57.8 Å²	57.8	6%	0.061	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	130.6	167.1	61.8	0	0	0	0	109.4	K468 D472 R475 R476 L477 Y478	V448-K468 HydrophobicContact CG2-CD 3.77Å; V448-K468 VanDerWaalsContact CG2-CE 3.44Å; V448-K468 HydrophobicContact CG2-CG 4.38Å; V448-D472 WeakPolarHBondContact CG1-O 3Å; V448-R475 HydrophobicContact CB-CB 4.26Å; V448-R475 HydrophobicContact CG1-CB 4.23Å; V448-R476 PolarHBondContact N-O 2.82Å; V448-L477 HydrophobicContact CG1-CD2 3.46Å; V448-L477 VanDerWaalsContact CG1-CD2 3.46Å; V448-Y478 PolarHBondContact O-N 2.99Å
449	K	94.2	Very high	91	Very high	103 Å²	103	57 Å²	57	45%	0.448	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	136.3	-180	-159.8	179	-177	-178.8	0	111.1	V451 K468 Y478	K449-V451 HydrophobicContact CD-CG2 3.94Å; K449-V451 HydrophobicContact CG-CG2 3.89Å; K449-K468 VanDerWaalsContact O-CE 3.3Å; K449-K468 WeakPolarHBondContact O-CE 3.41Å; K449-K468 PolarHBondContact O-NZ 2.82Å; K449-Y478 WeakPolarHBondContact CA-O 3.27Å
450	I	95.1	Very high	91.2	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	124.7	175.2	-71.1	171.6	0	0	0	107	V452 E464 V465 Y478 I479 Q480 W496 M547	I450-V452 HydrophobicContact CG2-CG1 3.8Å; I450-E464 HydrophobicContact CG1-CB 4.5Å; I450-E464 HydrophobicContact CG2-CB 3.94Å; I450-E464 HydrophobicContact CG2-CG 4.38Å; I450-V465 HydrophobicContact CD1-CG2 4.05Å; I450-Y478 PolarHBondContact N-O 3.42Å; I450-I479 HydrophobicContact CB-CD1 3.75Å; I450-I479 HydrophobicContact CD1-CD1 3.91Å; I450-I479 HydrophobicContact CG1-CD1 4.34Å; I450-I479 HydrophobicContact CG2-CD1 4.01Å; I450-Q480 PolarHBondContact O-N 3.05Å; I450-W496 HydrophobicContact CD1-CH2 4.4Å; I450-W496 HydrophobicContact CG2-CZ2 4.37Å; I450-M547 HydrophobicContact CD1-CE 4.05Å
451	V	94.8	Very high	91.7	Very high	40 Å²	40	51.3 Å²	51.3	24%	0.242	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	99.1	-169.1	-174.4	0	0	0	0	111.4	K449 Q480 R482	K449-V451 HydrophobicContact CD-CG2 3.94Å; K449-V451 HydrophobicContact CG-CG2 3.89Å; V451-Q480 WeakPolarHBondContact CA-O 3.32Å; V451-R482 HydrophobicContact CG1-CG 3.74Å; V451-R482 PolarHBondContact O-NE 2.84Å; V451-R482 PolarHBondContact O-NH2 3.17Å; V451-R482 VanDerWaalsContact O-NH2 3.07Å
452	V	95.8	Very high	92.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	153.5	-167.7	-62	0	0	0	0	111.3	I450 L457 D460 I479 Q480 F481 R482	I450-V452 HydrophobicContact CG2-CG1 3.8Å; V452-L457 HydrophobicContact CB-CD1 4.27Å; V452-L457 HydrophobicContact CG2-CD1 3.99Å; V452-D460 HydrophobicContact CB-CB 3.89Å; V452-D460 HydrophobicContact CG1-CB 3.84Å; V452-I479 HydrophobicContact CG2-CG2 4.25Å; V452-Q480 PolarHBondContact N-O 3.18Å; V452-F481 HydrophobicContact CG2-CD1 3.77Å; V452-F481 HydrophobicContact CG2-CE1 3.77Å; V452-F481 CarbonylContact O-C 3.53Å; V452-F481 VanDerWaalsContact O-CA 3.23Å; V452-F481 WeakPolarHBondContact O-CA 3.1Å; V452-R482 PolarHBondContact O-N 3.23Å
453	S	94.4	Very high	92.3	Very high	17 Å²	17	50.4 Å²	50.4	12%	0.119	27%	0.267	C	S	.	.			trans	-91.6	158.9	165.2	63	0	0	0	0	110.5	Q455 N456 L457 D460	S453-Q455 VanDerWaalsContact C-N 3.32Å; S453-N456 VanDerWaalsContact OG-CB 3.27Å; S453-N456 WeakPolarHBondContact OG-CB 3.33Å; S453-N456 PolarHBondContact OG-N 3.36Å; S453-L457 WeakPolarHBondContact O-CA 3.17Å; S453-L457 PolarHBondContact O-N 2.85Å; S453-D460 WeakPolarHBondContact CB-OD2 3.18Å; S453-D460 PolarHBondContact N-OD2 3.01Å; S453-D460 PolarHBondContact OG-OD2 2.86Å
454	R	90.5	Very high	92.7	Very high	77 Å²	77	48.9 Å²	48.9	29%	0.291	25%	0.254	S	S	.	.	S	Bend	trans	-74.2	-26.4	173.4	-69.4	-175.7	178.2	-90	-4.7	112.3	F481 E484 E495	R454-F481 HydrophobicContact CG-CD1 3.52Å; R454-F481 HydrophobicContact CG-CE1 3.8Å; R454-F481 HydrophobicContact CG-CG 4.06Å; R454-F481 VanDerWaalsContact NH2-CD2 3.29Å; R454-E484 VanDerWaalsContact CD-OE1 3.22Å; R454-E484 WeakPolarHBondContact CD-OE1 3.37Å; R454-E484 IonicContact CZ-OE1 3.49Å; R454-E484 IonicContact CZ-OE2 2.86Å; R454-E484 VanDerWaalsContact CZ-OE2 3.28Å; R454-E484 IonicContact NE-OE1 3.41Å; R454-E484 PolarHBondContact NE-OE1 3.3Å; R454-E484 IonicContact NE-OE2 3.73Å; R454-E484 PolarHBondContact NE-OE2 2.82Å; R454-E484 IonicContact NH2-OE2 3.14Å; R454-E484 PolarHBondContact NH2-OE2 3.12Å; R454-E495 IonicContact CZ-OE1 3.93Å; R454-E495 IonicContact CZ-OE2 3.66Å; R454-E495 VanDerWaalsContact NH1-CD 3.28Å; R454-E495 IonicContact NH1-OE1 2.69Å; R454-E495 PolarHBondContact NH1-OE1 3.03Å; R454-E495 IonicContact NH1-OE2 3.46Å; R454-E495 PolarHBondContact NH1-OE2 3.41Å; R454-E495 IonicContact NH2-OE1 2.73Å; R454-E495 IonicContact NH2-OE2 3.14Å; R454-E495 PolarHBondContact NH2-OE2 3.26Å
455	Q	88.3	Confident	93.4	Very high	173 Å²	173	47.7 Å²	47.7	81%	0.808	24%	0.242	S	C	*	.	S	Bend	trans	-83.9	-33.3	-175.7	-62.1	74.8	14.3	0	0	112.7	S453	S453-Q455 VanDerWaalsContact C-N 3.32Å
456	N	90.3	Very high	94.1	Very high	74 Å²	74	46.2 Å²	46.2	40%	0.396	23%	0.226	S	C	.	.	S	Bend	trans	-113.8	34.2	179.1	-164.1	50.3	0	0	0	111.4	S453 F458 E459 D460	S453-N456 VanDerWaalsContact OG-CB 3.27Å; S453-N456 WeakPolarHBondContact OG-CB 3.33Å; S453-N456 PolarHBondContact OG-N 3.36Å; N456-F458 PolarHBondContact O-N 2.69Å; N456-E459 WeakPolarHBondContact ND2-CB 3.34Å; N456-E459 PolarHBondContact O-N 2.92Å; N456-D460 PolarHBondContact ND2-OD1 3.5Å; N456-D460 WeakPolarHBondContact O-CB 3.23Å; N456-D460 PolarHBondContact O-N 3.4Å
457	L	93.5	Very high	94.5	Very high	4 Å²	4	47 Å²	47	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-54.8	-47	-165.3	174.4	60	0	0	0	113.6	V452 S453 S461 F481 L499 E503	V452-L457 HydrophobicContact CB-CD1 4.27Å; V452-L457 HydrophobicContact CG2-CD1 3.99Å; S453-L457 WeakPolarHBondContact O-CA 3.17Å; S453-L457 PolarHBondContact O-N 2.85Å; L457-S461 WeakPolarHBondContact O-CB 3.49Å; L457-S461 PolarHBondContact O-N 3.35Å; L457-S461 PolarHBondContact O-OG 2.97Å; L457-F481 HydrophobicContact CD1-CE1 4.17Å; L457-L499 HydrophobicContact CD2-CB 3.42Å; L457-L499 VanDerWaalsContact CD2-CB 3.42Å; L457-L499 HydrophobicContact CD2-CD1 4.32Å; L457-E503 HydrophobicContact CD2-CG 4.02Å; L457-E503 HydrophobicContact CG-CG 4.45Å
458	F	93.5	Very high	94.6	Very high	1 Å²	1	44 Å²	44	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-63.8	-52.8	-177.6	-179.9	-93.6	0	0	0	111.7	N456 S461 F462 L500 E503 V504 Y509 L511 Y537 F540	N456-F458 PolarHBondContact O-N 2.69Å; F458-S461 PolarHBondContact O-N 3.48Å; F458-F462 WeakPolarHBondContact O-CB 3.32Å; F458-F462 PolarHBondContact O-N 3.37Å; F458-L500 HydrophobicContact CD2-CD1 4.11Å; F458-E503 HydrophobicContact CB-CB 4.2Å; F458-E503 HydrophobicContact CD2-CB 4.36Å; F458-V504 HydrophobicContact CD2-CG1 4.18Å; F458-V504 HydrophobicContact CE2-CB 4.38Å; F458-V504 HydrophobicContact CE2-CG1 3.85Å; F458-Y509 HydrophobicContact CB-CE2 4.16Å; F458-Y509 WeakPolarHBondContact CB-OH 3.27Å; F458-Y509 HydrophobicContact CD1-CD1 4.17Å; F458-Y509 HydrophobicContact CD1-CD2 4.39Å; F458-Y509 AromaticContact CD1-CE1 3.54Å; F458-Y509 HydrophobicContact CD1-CE1 3.54Å; F458-Y509 AromaticContact CD1-CE2 3.8Å; F458-Y509 HydrophobicContact CD1-CE2 3.8Å; F458-Y509 AromaticContact CD1-CZ 3.34Å; F458-Y509 HydrophobicContact CD2-CD2 4.4Å; F458-Y509 AromaticContact CD2-CE2 3.95Å; F458-Y509 HydrophobicContact CD2-CE2 3.95Å; F458-Y509 AromaticContact CE1-CD1 3.79Å; F458-Y509 HydrophobicContact CE1-CD1 3.79Å; F458-Y509 HydrophobicContact CE1-CD2 4.21Å; F458-Y509 AromaticContact CE1-CE1 3.65Å; F458-Y509 HydrophobicContact CE1-CE1 3.65Å; F458-Y509 HydrophobicContact CE1-CE2 4.08Å; F458-Y509 HydrophobicContact CE1-CG 4.1Å; F458-Y509 AromaticContact CE1-CZ 3.81Å; F458-Y509 HydrophobicContact CE2-CD2 4.24Å; F458-Y509 HydrophobicContact CE2-CE2 4.24Å; F458-Y509 HydrophobicContact CG-CD2 4.47Å; F458-Y509 HydrophobicContact CG-CE1 4.29Å; F458-Y509 AromaticContact CG-CE2 3.72Å; F458-Y509 HydrophobicContact CG-CE2 3.72Å; F458-Y509 AromaticContact CG-CZ 3.63Å; F458-Y509 HydrophobicContact CZ-CD1 4.33Å; F458-Y509 HydrophobicContact CZ-CD2 4.14Å; F458-Y509 HydrophobicContact CZ-CE1 4.48Å; F458-Y509 HydrophobicContact CZ-CE2 4.3Å; F458-Y509 HydrophobicContact CZ-CG 4.18Å; F458-L511 HydrophobicContact CZ-CD1 4.11Å; F458-Y537 HydrophobicContact CD1-CE1 4.37Å; F458-Y537 AromaticContact CE1-CD1 3.52Å; F458-Y537 HydrophobicContact CE1-CD1 3.52Å; F458-Y537 AromaticContact CE1-CE1 3.41Å; F458-Y537 HydrophobicContact CE1-CE1 3.41Å; F458-Y537 VanDerWaalsContact CE1-CE1 3.41Å; F458-Y537 HydrophobicContact CE1-CG 4.36Å; F458-Y537 AromaticContact CZ-CD1 3.65Å; F458-Y537 HydrophobicContact CZ-CD1 3.65Å; F458-Y537 HydrophobicContact CZ-CE1 4.06Å; F458-Y537 HydrophobicContact CZ-CG 4.23Å; F458-F540 HydrophobicContact CD2-CE1 4.38Å; F458-F540 HydrophobicContact CE2-CE1 4.14Å; F458-F540 HydrophobicContact CZ-CE1 4.49Å
459	E	93.6	Very high	94.6	Very high	39 Å²	39	48.1 Å²	48.1	18%	0.182	23%	0.231	C	C	.	.	H	α-helix	trans	-68.5	-41.7	-178.9	-73.4	-57.8	143.8	0	0	112.9	N456 S461 F462 N463 Y537	N456-E459 WeakPolarHBondContact ND2-CB 3.34Å; N456-E459 PolarHBondContact O-N 2.92Å; E459-S461 VanDerWaalsContact C-N 3.26Å; E459-S461 PolarHBondContact O-N 3.01Å; E459-F462 PolarHBondContact O-N 2.82Å; E459-N463 WeakPolarHBondContact O-CB 3.38Å; E459-N463 PolarHBondContact O-N 2.82Å; E459-N463 PolarHBondContact O-ND2 3.15Å; E459-Y537 WeakPolarHBondContact OE1-CE1 3.46Å; E459-Y537 PolarHBondContact OE1-OH 2.74Å
460	D	96.5	Very high	94.5	Very high	16 Å²	16	43.7 Å²	43.7	9%	0.086	21%	0.213	C	C	.	.	H	α-helix	trans	-61.8	-38.7	174.4	-74.7	-15	0	0	0	110.6	V452 S453 N456 E464 R482	V452-D460 HydrophobicContact CB-CB 3.89Å; V452-D460 HydrophobicContact CG1-CB 3.84Å; S453-D460 WeakPolarHBondContact CB-OD2 3.18Å; S453-D460 PolarHBondContact N-OD2 3.01Å; S453-D460 PolarHBondContact OG-OD2 2.86Å; N456-D460 PolarHBondContact ND2-OD1 3.5Å; N456-D460 WeakPolarHBondContact O-CB 3.23Å; N456-D460 PolarHBondContact O-N 3.4Å; D460-E464 WeakPolarHBondContact O-CB 3.41Å; D460-E464 WeakPolarHBondContact O-CG 3.3Å; D460-E464 PolarHBondContact O-N 3.42Å; D460-R482 IonicContact OD1-NH2 3.19Å; D460-R482 IonicContact OD2-CZ 2.74Å; D460-R482 IonicContact OD2-NH1 2.64Å; D460-R482 IonicContact OD2-NH2 2.73Å
461	S	97.3	Very high	94.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-70.7	-42.1	177	-60.5	0	0	0	0	112.6	L457 F458 E459 E464 V465 W496	L457-S461 WeakPolarHBondContact O-CB 3.49Å; L457-S461 PolarHBondContact O-N 3.35Å; L457-S461 PolarHBondContact O-OG 2.97Å; F458-S461 PolarHBondContact O-N 3.48Å; E459-S461 VanDerWaalsContact C-N 3.26Å; E459-S461 PolarHBondContact O-N 3.01Å; S461-E464 PolarHBondContact O-N 2.99Å; S461-V465 VanDerWaalsContact O-CB 3.31Å; S461-V465 WeakPolarHBondContact O-CB 3.27Å; S461-V465 VanDerWaalsContact O-CG2 3.32Å; S461-V465 WeakPolarHBondContact O-CG2 3.39Å; S461-V465 PolarHBondContact O-N 3.04Å; S461-W496 PolarHBondContact OG-NE1 2.6Å
462	F	96.7	Very high	94.4	Very high	25 Å²	25	47.2 Å²	47.2	11%	0.11	23%	0.233	C	C	.	.	H	α-helix	trans	-54.9	-54.4	174.2	169.1	-105.7	0	0	0	110.3	F458 E459 E464 V465 M466 K536 Y537 F540	F458-F462 WeakPolarHBondContact O-CB 3.32Å; F458-F462 PolarHBondContact O-N 3.37Å; E459-F462 PolarHBondContact O-N 2.82Å; F462-E464 PolarHBondContact O-N 3.2Å; F462-V465 PolarHBondContact O-N 3.43Å; F462-M466 HydrophobicContact CD2-CG 3.88Å; F462-M466 HydrophobicContact CE2-CG 3.79Å; F462-M466 HydrophobicContact CZ-CG 4.41Å; F462-M466 VanDerWaalsContact O-CB 3.26Å; F462-M466 WeakPolarHBondContact O-CB 3.29Å; F462-M466 VanDerWaalsContact O-CG 3.26Å; F462-M466 WeakPolarHBondContact O-CG 3.16Å; F462-M466 PolarHBondContact O-N 3.43Å; F462-K536 HydrophobicContact CE2-CB 4.07Å; F462-K536 HydrophobicContact CZ-CB 4Å; F462-Y537 HydrophobicContact CD1-CE1 4.11Å; F462-Y537 AromaticContact CD2-CD1 3.68Å; F462-Y537 HydrophobicContact CD2-CD1 3.68Å; F462-Y537 AromaticContact CD2-CE1 3.95Å; F462-Y537 HydrophobicContact CD2-CE1 3.95Å; F462-Y537 HydrophobicContact CE1-CE1 4.26Å; F462-Y537 AromaticContact CE2-CD1 3.82Å; F462-Y537 HydrophobicContact CE2-CD1 3.82Å; F462-Y537 HydrophobicContact CE2-CE1 4.1Å; F462-Y537 HydrophobicContact CG-CD1 4.15Å; F462-Y537 AromaticContact CG-CE1 3.97Å; F462-Y537 HydrophobicContact CG-CE1 3.97Å; F462-Y537 HydrophobicContact CZ-CD1 4.38Å; F462-Y537 HydrophobicContact CZ-CE1 4.26Å; F462-F540 HydrophobicContact CB-CD1 4.09Å; F462-F540 HydrophobicContact CB-CE1 4.04Å; F462-F540 HydrophobicContact CB-CE2 4.48Å; F462-F540 HydrophobicContact CB-CG 4.31Å; F462-F540 HydrophobicContact CB-CZ 4.23Å; F462-F540 HydrophobicContact CD2-CB 3.58Å; F462-F540 AromaticContact CD2-CD1 3.83Å; F462-F540 HydrophobicContact CD2-CD1 3.83Å; F462-F540 HydrophobicContact CD2-CD2 4.41Å; F462-F540 AromaticContact CD2-CG 3.69Å; F462-F540 HydrophobicContact CD2-CG 3.69Å; F462-F540 HydrophobicContact CE2-CB 4.02Å; F462-F540 HydrophobicContact CG-CD1 4.46Å; F462-F540 HydrophobicContact CG-CG 4.49Å
463	N	96.4	Very high	94.4	Very high	90 Å²	90	47.2 Å²	47.2	48%	0.481	23%	0.233	S	C	.	.	H	α-helix	trans	-64.4	-40.7	178.5	-74.7	-76.2	0	0	0	112.5	E459 K467	E459-N463 WeakPolarHBondContact O-CB 3.38Å; E459-N463 PolarHBondContact O-N 2.82Å; E459-N463 PolarHBondContact O-ND2 3.15Å; N463-K467 WeakPolarHBondContact O-CB 3.38Å; N463-K467 WeakPolarHBondContact O-CD 3.32Å; N463-K467 VanDerWaalsContact O-CG 3.23Å; N463-K467 WeakPolarHBondContact O-CG 3.46Å; N463-K467 PolarHBondContact O-N 3.25Å
464	E	96.8	Very high	94.4	Very high	24 Å²	24	48.6 Å²	48.6	11%	0.112	24%	0.236	C	C	.	.	H	α-helix	trans	-71	-27.9	178.4	-81.8	-63.2	150	0	0	114.6	I450 D460 S461 F462 K467 K468	I450-E464 HydrophobicContact CG1-CB 4.5Å; I450-E464 HydrophobicContact CG2-CB 3.94Å; I450-E464 HydrophobicContact CG2-CG 4.38Å; D460-E464 WeakPolarHBondContact O-CB 3.41Å; D460-E464 WeakPolarHBondContact O-CG 3.3Å; D460-E464 PolarHBondContact O-N 3.42Å; S461-E464 PolarHBondContact O-N 2.99Å; F462-E464 PolarHBondContact O-N 3.2Å; E464-K467 VanDerWaalsContact CD-CE 3.43Å; E464-K467 VanDerWaalsContact CD-NZ 3.28Å; E464-K467 VanDerWaalsContact OE1-CE 3.31Å; E464-K467 WeakPolarHBondContact OE1-CE 3.22Å; E464-K467 IonicContact OE1-NZ 3.79Å; E464-K467 PolarHBondContact OE1-NZ 3.04Å; E464-K467 WeakPolarHBondContact OE2-CE 3.33Å; E464-K467 IonicContact OE2-NZ 3.81Å; E464-K467 PolarHBondContact OE2-NZ 3.47Å; E464-K468 WeakPolarHBondContact O-CG 3.46Å; E464-K468 PolarHBondContact O-NZ 3.45Å; E464-K468 IonicContact OE2-NZ 3.27Å; E464-K468 PolarHBondContact OE2-NZ 2.85Å
465	V	97.4	Very high	94.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-92.3	-38.2	-179.6	171.4	0	0	0	0	111.9	I450 S461 F462 K468 L473 W496 F540 R543 M547	I450-V465 HydrophobicContact CD1-CG2 4.05Å; S461-V465 VanDerWaalsContact O-CB 3.31Å; S461-V465 WeakPolarHBondContact O-CB 3.27Å; S461-V465 VanDerWaalsContact O-CG2 3.32Å; S461-V465 WeakPolarHBondContact O-CG2 3.39Å; S461-V465 PolarHBondContact O-N 3.04Å; F462-V465 PolarHBondContact O-N 3.43Å; V465-K468 PolarHBondContact O-N 3.46Å; V465-L473 HydrophobicContact CG1-CD1 3.91Å; V465-L473 HydrophobicContact CG1-CD2 4.35Å; V465-W496 HydrophobicContact CG2-CH2 4.19Å; V465-W496 HydrophobicContact CG2-CZ2 4.26Å; V465-F540 HydrophobicContact CB-CD2 3.94Å; V465-F540 HydrophobicContact CB-CE2 3.85Å; V465-F540 HydrophobicContact CG1-CD2 3.99Å; V465-F540 HydrophobicContact CG1-CE2 4.22Å; V465-F540 HydrophobicContact CG2-CE2 4.1Å; V465-R543 HydrophobicContact CG1-CB 4.07Å; V465-R543 PolarHBondContact O-NH1 2.91Å; V465-M547 HydrophobicContact CG1-SD 3.92Å; V465-M547 HydrophobicContact CG2-CE 4.32Å; V465-M547 HydrophobicContact CG2-SD 4.28Å
466	M	97	Very high	94.8	Very high	56 Å²	56	48 Å²	48	28%	0.276	23%	0.226	S	C	.	.	H	α-helix	trans	-69	-34.3	179.6	-69.3	-62.5	-78	0	0	112.3	F462 K468 T539 F540 R543	F462-M466 HydrophobicContact CD2-CG 3.88Å; F462-M466 HydrophobicContact CE2-CG 3.79Å; F462-M466 HydrophobicContact CZ-CG 4.41Å; F462-M466 VanDerWaalsContact O-CB 3.26Å; F462-M466 WeakPolarHBondContact O-CB 3.29Å; F462-M466 VanDerWaalsContact O-CG 3.26Å; F462-M466 WeakPolarHBondContact O-CG 3.16Å; F462-M466 PolarHBondContact O-N 3.43Å; M466-K468 VanDerWaalsContact C-N 3.26Å; M466-K468 PolarHBondContact O-N 3.14Å; M466-T539 HydrophobicContact CE-CG2 3.92Å; M466-T539 HydrophobicContact SD-CG2 4.43Å; M466-F540 HydrophobicContact CG-CB 3.97Å; M466-F540 HydrophobicContact SD-CB 3.79Å; M466-R543 PolarHBondContact O-NH1 2.65Å
467	K	96	Very high	95	Very high	139 Å²	139	45.1 Å²	45.1	60%	0.604	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-6.2	177	82.2	-174.6	-178.6	-170.6	0	115.2	N463 E464	N463-K467 WeakPolarHBondContact O-CB 3.38Å; N463-K467 WeakPolarHBondContact O-CD 3.32Å; N463-K467 VanDerWaalsContact O-CG 3.23Å; N463-K467 WeakPolarHBondContact O-CG 3.46Å; N463-K467 PolarHBondContact O-N 3.25Å; E464-K467 VanDerWaalsContact CD-CE 3.43Å; E464-K467 VanDerWaalsContact CD-NZ 3.28Å; E464-K467 VanDerWaalsContact OE1-CE 3.31Å; E464-K467 WeakPolarHBondContact OE1-CE 3.22Å; E464-K467 IonicContact OE1-NZ 3.79Å; E464-K467 PolarHBondContact OE1-NZ 3.04Å; E464-K467 WeakPolarHBondContact OE2-CE 3.33Å; E464-K467 IonicContact OE2-NZ 3.81Å; E464-K467 PolarHBondContact OE2-NZ 3.47Å
468	K	95.3	Very high	95	Very high	35 Å²	35	47.3 Å²	47.3	15%	0.152	22%	0.219	C	C	.	.	S	Bend	trans	-89.6	149.7	176.4	-58.5	-71.4	-168.9	-56.4	0	110.1	V448 K449 E464 V465 M466 L473 R543	V448-K468 HydrophobicContact CG2-CD 3.77Å; V448-K468 VanDerWaalsContact CG2-CE 3.44Å; V448-K468 HydrophobicContact CG2-CG 4.38Å; K449-K468 VanDerWaalsContact O-CE 3.3Å; K449-K468 WeakPolarHBondContact O-CE 3.41Å; K449-K468 PolarHBondContact O-NZ 2.82Å; E464-K468 WeakPolarHBondContact O-CG 3.46Å; E464-K468 PolarHBondContact O-NZ 3.45Å; E464-K468 IonicContact OE2-NZ 3.27Å; E464-K468 PolarHBondContact OE2-NZ 2.85Å; V465-K468 PolarHBondContact O-N 3.46Å; M466-K468 VanDerWaalsContact C-N 3.26Å; M466-K468 PolarHBondContact O-N 3.14Å; K468-L473 HydrophobicContact CB-CD2 3.78Å; K468-L473 HydrophobicContact CB-CG 4.17Å; K468-L473 HydrophobicContact CG-CD2 3.99Å; K468-R543 PolarHBondContact O-NH1 2.97Å
469	N	93.5	Very high	94.9	Very high	98 Å²	98	47.4 Å²	47.4	52%	0.524	22%	0.219	S	C	.	.			trans	-65.5	136.4	162.2	-176.4	-32.9	0	0	0	108.6	V471 D472 L473	N469-V471 PolarHBondContact O-N 2.64Å; N469-V471 VanDerWaalsContact O-N 3.14Å; N469-V471 PolarHBondContact OD1-N 3.07Å; N469-D472 WeakPolarHBondContact O-CB 3.46Å; N469-D472 PolarHBondContact O-N 3.3Å; N469-L473 PolarHBondContact O-N 3.42Å
470	S	92.8	Very high	94.9	Very high	9 Å²	9	48.5 Å²	48.5	6%	0.063	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.2	-179	-54.6	0	0	0	0	113.7	L473 R543 S663	S470-L473 PolarHBondContact O-N 3.1Å; S470-R543 PolarHBondContact OG-NE 3.11Å; S470-R543 PolarHBondContact OG-NH2 3.34Å; S470-S663 VanDerWaalsContact CB-C 3.46Å; S470-S663 WeakPolarHBondContact CB-O 3.37Å; S470-S663 WeakPolarHBondContact OG-CB 3.39Å; S470-S663 PolarHBondContact OG-OG 2.88Å
471	V	91.5	Very high	94.7	Very high	74 Å²	74	47.9 Å²	47.9	45%	0.448	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-34.3	170.7	-176.8	0	0	0	0	111.7	N469 L473 R474	N469-V471 PolarHBondContact O-N 2.64Å; N469-V471 VanDerWaalsContact O-N 3.14Å; N469-V471 PolarHBondContact OD1-N 3.07Å; V471-L473 VanDerWaalsContact C-N 3.25Å; V471-L473 PolarHBondContact O-N 2.76Å; V471-R474 WeakPolarHBondContact O-CB 3.5Å; V471-R474 PolarHBondContact O-N 2.92Å; V471-R474 VanDerWaalsContact O-N 3.11Å
472	D	94.5	Very high	94.5	Very high	41 Å²	41	54.3 Å²	54.3	22%	0.219	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-68.6	-27.6	176.4	-66.1	-36.1	0	0	0	112.1	V448 N469 R474 R475	V448-D472 WeakPolarHBondContact CG1-O 3Å; N469-D472 WeakPolarHBondContact O-CB 3.46Å; N469-D472 PolarHBondContact O-N 3.3Å; D472-R474 PolarHBondContact O-N 2.96Å; D472-R475 VanDerWaalsContact O-CB 3.28Å; D472-R475 WeakPolarHBondContact O-CB 3.21Å; D472-R475 WeakPolarHBondContact O-CG 3.3Å; D472-R475 PolarHBondContact O-N 3.37Å; D472-R475 IonicContact OD1-CZ 2.71Å; D472-R475 IonicContact OD1-NE 3.47Å; D472-R475 PolarHBondContact OD1-NE 2.89Å; D472-R475 IonicContact OD1-NH2 2.74Å; D472-R475 PolarHBondContact OD1-NH2 3.45Å
473	L	95.8	Very high	94	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-66.9	-10.5	173.4	-57.7	178.1	0	0	0	113.1	V465 K468 N469 S470 V471 R543 M547 H551 V664	V465-L473 HydrophobicContact CG1-CD1 3.91Å; V465-L473 HydrophobicContact CG1-CD2 4.35Å; K468-L473 HydrophobicContact CB-CD2 3.78Å; K468-L473 HydrophobicContact CB-CG 4.17Å; K468-L473 HydrophobicContact CG-CD2 3.99Å; N469-L473 PolarHBondContact O-N 3.42Å; S470-L473 PolarHBondContact O-N 3.1Å; V471-L473 VanDerWaalsContact C-N 3.25Å; V471-L473 PolarHBondContact O-N 2.76Å; L473-R543 HydrophobicContact CD1-CB 4.41Å; L473-M547 HydrophobicContact CB-CG 4.05Å; L473-M547 HydrophobicContact CB-SD 4.16Å; L473-M547 HydrophobicContact CD1-CG 4.48Å; L473-M547 HydrophobicContact CD1-SD 3.9Å; L473-M547 HydrophobicContact CD2-CE 4.2Å; L473-M547 HydrophobicContact CD2-SD 3.89Å; L473-M547 HydrophobicContact CG-SD 4.2Å; L473-H551 PolarHBondContact O-NE2 2.93Å; L473-V664 HydrophobicContact CD1-CG2 4.15Å
474	R	95.2	Very high	93.6	Very high	45 Å²	45	56.4 Å²	56.4	17%	0.17	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-85.9	-13	170.3	-56.2	-178.4	-171.4	162.1	5.3	113.8	N442 S443 G444 V471 D472 F550 V664	N442-R474 WeakPolarHBondContact O-CD 3.41Å; S443-R474 PolarHBondContact OG-O 2.81Å; G444-R474 PolarHBondContact N-O 3.32Å; V471-R474 WeakPolarHBondContact O-CB 3.5Å; V471-R474 PolarHBondContact O-N 2.92Å; V471-R474 VanDerWaalsContact O-N 3.11Å; D472-R474 PolarHBondContact O-N 2.96Å; R474-F550 HydrophobicContact CB-CE1 3.84Å; R474-F550 HydrophobicContact CB-CE2 4.21Å; R474-F550 HydrophobicContact CB-CZ 3.61Å; R474-F550 HydrophobicContact CG-CD2 4.49Å; R474-F550 HydrophobicContact CG-CE1 4.36Å; R474-F550 HydrophobicContact CG-CE2 3.91Å; R474-F550 HydrophobicContact CG-CZ 3.85Å; R474-F550 WeakPolarHBondContact O-CE1 3.47Å; R474-V664 PolarHBondContact NE-O 3.47Å; R474-V664 PolarHBondContact NH2-O 2.81Å
475	R	94.4	Very high	92.5	Very high	76 Å²	76	64.5 Å²	64.5	29%	0.287	31%	0.314	S	S	.	.	S	Bend	trans	-72.6	161.7	175.6	-57.6	177.6	-168.1	-121.2	17.4	110.2	G444 S445 V448 D472 L477 H551	G444-R475 WeakPolarHBondContact O-CA 3.19Å; S445-R475 PolarHBondContact O-NH1 3.35Å; V448-R475 HydrophobicContact CB-CB 4.26Å; V448-R475 HydrophobicContact CG1-CB 4.23Å; D472-R475 VanDerWaalsContact O-CB 3.28Å; D472-R475 WeakPolarHBondContact O-CB 3.21Å; D472-R475 WeakPolarHBondContact O-CG 3.3Å; D472-R475 PolarHBondContact O-N 3.37Å; D472-R475 IonicContact OD1-CZ 2.71Å; D472-R475 IonicContact OD1-NE 3.47Å; D472-R475 PolarHBondContact OD1-NE 2.89Å; D472-R475 IonicContact OD1-NH2 2.74Å; D472-R475 PolarHBondContact OD1-NH2 3.45Å; R475-L477 PolarHBondContact O-N 2.75Å; R475-L477 VanDerWaalsContact O-N 3.16Å; R475-H551 PolarHBondContact O-CE1 2.97Å
476	R	92.8	Very high	91	Very high	163 Å²	163	66 Å²	66	62%	0.615	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.6	120.4	179	-174.1	173.5	179.4	171.1	-1.9	110.9	N446 H447 V448 Y478	N446-R476 PolarHBondContact O-N 2.98Å; H447-R476 CarbonylContact C-O 3.58Å; H447-R476 WeakPolarHBondContact CA-O 3.31Å; H447-R476 HydrophobicContact CB-CB 4.31Å; H447-R476 VanDerWaalsContact CB-O 3.23Å; H447-R476 WeakPolarHBondContact CB-O 3.35Å; V448-R476 PolarHBondContact N-O 2.82Å; R476-Y478 HydrophobicContact CG-CD1 4.29Å; R476-Y478 HydrophobicContact CG-CE1 4.01Å; R476-Y478 PolarHBondContact O-N 3.4Å
477	L	93.8	Very high	89.5	Confident	13 Å²	13	72 Å²	72	7%	0.068	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	120.9	-177.2	-55.8	-177.6	0	0	0	111.4	V448 R475 I479 F497 M547 H551	V448-L477 HydrophobicContact CG1-CD2 3.46Å; V448-L477 VanDerWaalsContact CG1-CD2 3.46Å; R475-L477 PolarHBondContact O-N 2.75Å; R475-L477 VanDerWaalsContact O-N 3.16Å; L477-I479 HydrophobicContact CB-CD1 4.39Å; L477-F497 HydrophobicContact CD1-CE2 3.69Å; L477-F497 HydrophobicContact CD1-CZ 3.75Å; L477-M547 HydrophobicContact CD1-CE 3.79Å; L477-M547 HydrophobicContact CD2-CE 3.93Å; L477-H551 HydrophobicContact CD1-CB 4.36Å; L477-H551 VanDerWaalsContact CD1-CD2 3.48Å; L477-H551 WeakPolarHBondContact CD1-CD2 3.35Å
478	Y	93.3	Very high	88.5	Confident	50 Å²	50	69.8 Å²	69.8	20%	0.196	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	93.7	170	-84.6	28.3	0	0	0	108.3	H447 V448 K449 I450 R476 Y489	H447-Y478 HydrophobicContact CB-CD1 3.77Å; H447-Y478 HydrophobicContact CB-CD2 4.28Å; H447-Y478 HydrophobicContact CB-CE1 3.97Å; H447-Y478 HydrophobicContact CB-CE2 4.46Å; H447-Y478 HydrophobicContact CB-CG 3.94Å; H447-Y478 AromaticContact CD2-CD2 3.65Å; H447-Y478 AromaticContact CD2-CE2 3.37Å; H447-Y478 WeakPolarHBondContact CD2-CE2 3.48Å; H447-Y478 AromaticContact CD2-CZ 3.7Å; H447-Y478 AromaticContact CG-CD2 3.91Å; H447-Y478 AromaticContact NE2-CE2 3.99Å; V448-Y478 PolarHBondContact O-N 2.99Å; K449-Y478 WeakPolarHBondContact CA-O 3.27Å; I450-Y478 PolarHBondContact N-O 3.42Å; R476-Y478 HydrophobicContact CG-CD1 4.29Å; R476-Y478 HydrophobicContact CG-CE1 4.01Å; R476-Y478 PolarHBondContact O-N 3.4Å; Y478-Y489 HydrophobicContact CD1-CD1 4.36Å; Y478-Y489 HydrophobicContact CD1-CD2 4.38Å; Y478-Y489 HydrophobicContact CD1-CG 4.09Å; Y478-Y489 AromaticContact CD2-CD1 3.97Å; Y478-Y489 HydrophobicContact CD2-CD1 3.97Å; Y478-Y489 HydrophobicContact CD2-CD2 4.1Å; Y478-Y489 AromaticContact CD2-CE1 3.72Å; Y478-Y489 HydrophobicContact CD2-CE1 3.72Å; Y478-Y489 AromaticContact CD2-CE2 3.85Å; Y478-Y489 HydrophobicContact CD2-CE2 3.85Å; Y478-Y489 HydrophobicContact CD2-CG 4.16Å; Y478-Y489 AromaticContact CD2-CZ 3.65Å; Y478-Y489 HydrophobicContact CE1-CD2 4.12Å; Y478-Y489 HydrophobicContact CE1-CG 4.25Å; Y478-Y489 AromaticContact CE2-CD2 3.82Å; Y478-Y489 HydrophobicContact CE2-CD2 3.82Å; Y478-Y489 HydrophobicContact CE2-CE1 4.27Å; Y478-Y489 AromaticContact CE2-CE2 3.51Å; Y478-Y489 HydrophobicContact CE2-CE2 3.51Å; Y478-Y489 HydrophobicContact CE2-CG 4.32Å; Y478-Y489 AromaticContact CE2-CZ 3.77Å; Y478-Y489 AromaticContact CG-CD1 3.87Å; Y478-Y489 HydrophobicContact CG-CD1 3.87Å; Y478-Y489 HydrophobicContact CG-CD2 4.37Å; Y478-Y489 HydrophobicContact CG-CE1 4.07Å; Y478-Y489 HydrophobicContact CG-CG 4.04Å; Y478-Y489 AromaticContact CZ-CD2 3.83Å; Y478-Y489 AromaticContact CZ-CE2 3.95Å
479	I	93.2	Very high	87.7	Confident	2 Å²	2	72.4 Å²	72.4	1%	0.01	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	137.3	173.1	-45.6	-54.6	0	0	0	108.9	I450 V452 L477 V492 A493 W496	I450-I479 HydrophobicContact CB-CD1 3.75Å; I450-I479 HydrophobicContact CD1-CD1 3.91Å; I450-I479 HydrophobicContact CG1-CD1 4.34Å; I450-I479 HydrophobicContact CG2-CD1 4.01Å; V452-I479 HydrophobicContact CG2-CG2 4.25Å; L477-I479 HydrophobicContact CB-CD1 4.39Å; I479-V492 HydrophobicContact CB-CG1 4.15Å; I479-V492 HydrophobicContact CG2-CG1 4.29Å; I479-A493 HydrophobicContact CG1-CB 3.99Å; I479-W496 HydrophobicContact CB-CB 4.43Å; I479-W496 HydrophobicContact CD1-CD2 3.9Å; I479-W496 HydrophobicContact CD1-CE3 3.9Å; I479-W496 HydrophobicContact CD1-CG 4.32Å; I479-W496 HydrophobicContact CD1-CZ3 4.3Å; I479-W496 HydrophobicContact CG1-CB 4.09Å; I479-W496 HydrophobicContact CG1-CD2 4.12Å; I479-W496 HydrophobicContact CG1-CE3 4.21Å; I479-W496 HydrophobicContact CG1-CG 4.08Å; I479-W496 HydrophobicContact CG2-CB 3.9Å; I479-W496 HydrophobicContact CG2-CD2 4.46Å; I479-W496 HydrophobicContact CG2-CG 3.79Å
480	Q	92.5	Very high	86.9	Confident	62 Å²	62	69 Å²	69	29%	0.29	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	130.1	168.5	178.7	173.6	16.5	0	0	110.3	I450 V451 V452 E484	I450-Q480 PolarHBondContact O-N 3.05Å; V451-Q480 WeakPolarHBondContact CA-O 3.32Å; V452-Q480 PolarHBondContact N-O 3.18Å; Q480-E484 PolarHBondContact NE2-O 3.46Å
481	F	93.1	Very high	86.3	Confident	4 Å²	4	69.5 Å²	69.5	2%	0.018	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	134.3	166.1	-70.7	-71.2	0	0	0	110.9	V452 R454 L457 G483 E484 V492 E495 L499	V452-F481 HydrophobicContact CG2-CD1 3.77Å; V452-F481 HydrophobicContact CG2-CE1 3.77Å; V452-F481 CarbonylContact O-C 3.53Å; V452-F481 VanDerWaalsContact O-CA 3.23Å; V452-F481 WeakPolarHBondContact O-CA 3.1Å; R454-F481 HydrophobicContact CG-CD1 3.52Å; R454-F481 HydrophobicContact CG-CE1 3.8Å; R454-F481 HydrophobicContact CG-CG 4.06Å; R454-F481 VanDerWaalsContact NH2-CD2 3.29Å; L457-F481 HydrophobicContact CD1-CE1 4.17Å; F481-G483 PolarHBondContact O-N 3.29Å; F481-E484 HydrophobicContact CB-CB 4.04Å; F481-E484 VanDerWaalsContact CB-CD 3.44Å; F481-E484 HydrophobicContact CB-CG 4.22Å; F481-E484 WeakPolarHBondContact CB-OE1 3.27Å; F481-E484 WeakPolarHBondContact CB-OE2 3.34Å; F481-E484 PolarHBondContact O-N 2.98Å; F481-E484 VanDerWaalsContact O-N 3.14Å; F481-V492 HydrophobicContact CD2-CG1 3.78Å; F481-V492 HydrophobicContact CE2-CG1 3.82Å; F481-E495 WeakPolarHBondContact CE2-OE2 3.22Å; F481-L499 HydrophobicContact CZ-CD1 4.31Å
482	R	92.2	Very high	86.1	Confident	134 Å²	134	67.2 Å²	67.2	51%	0.506	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	120.2	-178.1	-68.8	179.7	-166.1	171.9	12.7	110.4	V451 V452 D460	V451-R482 HydrophobicContact CG1-CG 3.74Å; V451-R482 PolarHBondContact O-NE 2.84Å; V451-R482 PolarHBondContact O-NH2 3.17Å; V451-R482 VanDerWaalsContact O-NH2 3.07Å; V452-R482 PolarHBondContact O-N 3.23Å; D460-R482 IonicContact OD1-NH2 3.19Å; D460-R482 IonicContact OD2-CZ 2.74Å; D460-R482 IonicContact OD2-NH1 2.64Å; D460-R482 IonicContact OD2-NH2 2.73Å
483	G	87.5	Confident	85.9	Confident	88 Å²	88	65.5 Å²	65.5	91%	0.907	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	-0.4	-176.2	0	0	0	0	0	114.5	F481	F481-G483 PolarHBondContact O-N 3.29Å
484	E	87.3	Confident	85.5	Confident	72 Å²	72	70.8 Å²	70.8	34%	0.336	36%	0.358	S	S	.	.			trans	-115.8	137.5	-179.6	-69.2	163.4	-128.4	0	0	111.4	R454 Q480 F481	R454-E484 VanDerWaalsContact CD-OE1 3.22Å; R454-E484 WeakPolarHBondContact CD-OE1 3.37Å; R454-E484 IonicContact CZ-OE1 3.49Å; R454-E484 IonicContact CZ-OE2 2.86Å; R454-E484 VanDerWaalsContact CZ-OE2 3.28Å; R454-E484 IonicContact NE-OE1 3.41Å; R454-E484 PolarHBondContact NE-OE1 3.3Å; R454-E484 IonicContact NE-OE2 3.73Å; R454-E484 PolarHBondContact NE-OE2 2.82Å; R454-E484 IonicContact NH2-OE2 3.14Å; R454-E484 PolarHBondContact NH2-OE2 3.12Å; Q480-E484 PolarHBondContact NE2-O 3.46Å; F481-E484 HydrophobicContact CB-CB 4.04Å; F481-E484 VanDerWaalsContact CB-CD 3.44Å; F481-E484 HydrophobicContact CB-CG 4.22Å; F481-E484 WeakPolarHBondContact CB-OE1 3.27Å; F481-E484 WeakPolarHBondContact CB-OE2 3.34Å; F481-E484 PolarHBondContact O-N 2.98Å; F481-E484 VanDerWaalsContact O-N 3.14Å
485	E	74.1	Confident	85.2	Confident	193 Å²	193	70.9 Å²	70.9	90%	0.902	36%	0.36	S	S	*	.			trans	-94.8	102.2	171.5	-65.8	-161.9	149.9	0	0	110.1	L487	E485-L487 PolarHBondContact O-N 2.8Å
486	G	64.5	Low	85.2	Confident	31 Å²	31	67.3 Å²	67.3	32%	0.32	35%	0.347	S	S	.	.			trans	-83.6	107.7	178.4	0	0	0	0	0	112.3
487	L	66.1	Low	85.2	Confident	183 Å²	183	59.5 Å²	59.5	96%	0.958	32%	0.318	S	S	*	.	S	Bend	trans	-69.8	-33.5	172.8	-68.4	170.7	0	0	0	112.8	E485	E485-L487 PolarHBondContact O-N 2.8Å
488	D	76.2	Confident	85	Confident	93 Å²	93	58.9 Å²	58.9	50%	0.497	31%	0.314	S	S	.	.			trans	-121.3	103	177.6	175.1	30.6	0	0	0	112.3	G490 G491 V492	D488-G490 PolarHBondContact O-N 3.44Å; D488-G490 WeakPolarHBondContact OD1-CA 3.47Å; D488-G490 PolarHBondContact OD1-N 2.9Å; D488-G491 PolarHBondContact O-N 2.96Å; D488-G491 WeakPolarHBondContact OD2-CA 3.26Å; D488-G491 PolarHBondContact OD2-N 3.16Å; D488-V492 WeakPolarHBondContact O-CG2 3.46Å; D488-V492 PolarHBondContact O-N 3.3Å; D488-V492 VanDerWaalsContact O-N 3.11Å
489	Y	78.2	Confident	84.9	Confident	90 Å²	90	56.8 Å²	56.8	35%	0.353	31%	0.306	S	S	.	.	H	α-helix	trans	-59.8	-24.1	171.7	-60.9	-72.1	0	0	0	113.4	Y478 A493	Y478-Y489 HydrophobicContact CD1-CD1 4.36Å; Y478-Y489 HydrophobicContact CD1-CD2 4.38Å; Y478-Y489 HydrophobicContact CD1-CG 4.09Å; Y478-Y489 AromaticContact CD2-CD1 3.97Å; Y478-Y489 HydrophobicContact CD2-CD1 3.97Å; Y478-Y489 HydrophobicContact CD2-CD2 4.1Å; Y478-Y489 AromaticContact CD2-CE1 3.72Å; Y478-Y489 HydrophobicContact CD2-CE1 3.72Å; Y478-Y489 AromaticContact CD2-CE2 3.85Å; Y478-Y489 HydrophobicContact CD2-CE2 3.85Å; Y478-Y489 HydrophobicContact CD2-CG 4.16Å; Y478-Y489 AromaticContact CD2-CZ 3.65Å; Y478-Y489 HydrophobicContact CE1-CD2 4.12Å; Y478-Y489 HydrophobicContact CE1-CG 4.25Å; Y478-Y489 AromaticContact CE2-CD2 3.82Å; Y478-Y489 HydrophobicContact CE2-CD2 3.82Å; Y478-Y489 HydrophobicContact CE2-CE1 4.27Å; Y478-Y489 AromaticContact CE2-CE2 3.51Å; Y478-Y489 HydrophobicContact CE2-CE2 3.51Å; Y478-Y489 HydrophobicContact CE2-CG 4.32Å; Y478-Y489 AromaticContact CE2-CZ 3.77Å; Y478-Y489 AromaticContact CG-CD1 3.87Å; Y478-Y489 HydrophobicContact CG-CD1 3.87Å; Y478-Y489 HydrophobicContact CG-CD2 4.37Å; Y478-Y489 HydrophobicContact CG-CE1 4.07Å; Y478-Y489 HydrophobicContact CG-CG 4.04Å; Y478-Y489 AromaticContact CZ-CD2 3.83Å; Y478-Y489 AromaticContact CZ-CE2 3.95Å; Y489-A493 WeakPolarHBondContact O-CB 3.24Å; Y489-A493 PolarHBondContact O-N 2.69Å
490	G	75.3	Confident	84.9	Confident	26 Å²	26	56.7 Å²	56.7	27%	0.268	31%	0.306	S	S	.	.	H	α-helix	trans	-72.5	-40.9	179.9	0	0	0	0	0	113.6	D488 R494	D488-G490 PolarHBondContact O-N 3.44Å; D488-G490 WeakPolarHBondContact OD1-CA 3.47Å; D488-G490 PolarHBondContact OD1-N 2.9Å; G490-R494 WeakPolarHBondContact O-CG 3.45Å; G490-R494 PolarHBondContact O-N 2.84Å
491	G	80.3	Confident	84.8	Confident	20 Å²	20	53.9 Å²	53.9	21%	0.206	29%	0.293	C	S	.	.	H	α-helix	trans	-68.9	-51.1	170.1	0	0	0	0	0	112.2	D488 A493 R494 E495	D488-G491 PolarHBondContact O-N 2.96Å; D488-G491 WeakPolarHBondContact OD2-CA 3.26Å; D488-G491 PolarHBondContact OD2-N 3.16Å; G491-A493 VanDerWaalsContact C-N 3.3Å; G491-A493 PolarHBondContact O-N 3.36Å; G491-R494 WeakPolarHBondContact O-CA 3.36Å; G491-R494 WeakPolarHBondContact O-CB 3.34Å; G491-R494 PolarHBondContact O-N 3.06Å; G491-E495 PolarHBondContact O-N 3.39Å
492	V	88.3	Confident	84.5	Confident	26 Å²	26	54 Å²	54	16%	0.158	29%	0.294	C	S	.	.	H	α-helix	trans	-61.6	-38.2	179.4	179.7	0	0	0	0	111.5	I479 F481 D488 E495 W496	I479-V492 HydrophobicContact CB-CG1 4.15Å; I479-V492 HydrophobicContact CG2-CG1 4.29Å; F481-V492 HydrophobicContact CD2-CG1 3.78Å; F481-V492 HydrophobicContact CE2-CG1 3.82Å; D488-V492 WeakPolarHBondContact O-CG2 3.46Å; D488-V492 PolarHBondContact O-N 3.3Å; D488-V492 VanDerWaalsContact O-N 3.11Å; V492-E495 PolarHBondContact O-N 3.22Å; V492-W496 WeakPolarHBondContact O-CB 3.49Å; V492-W496 PolarHBondContact O-N 2.93Å
493	A	90.6	Very high	84.3	Confident	4 Å²	4	48.7 Å²	48.7	3%	0.033	28%	0.275	C	S	.	.	H	α-helix	trans	-65.6	-40.1	172.8	0	0	0	0	0	112.7	I479 Y489 G491 W496 F497	I479-A493 HydrophobicContact CG1-CB 3.99Å; Y489-A493 WeakPolarHBondContact O-CB 3.24Å; Y489-A493 PolarHBondContact O-N 2.69Å; G491-A493 VanDerWaalsContact C-N 3.3Å; G491-A493 PolarHBondContact O-N 3.36Å; A493-W496 PolarHBondContact O-N 3.27Å; A493-F497 VanDerWaalsContact O-CD2 3.26Å; A493-F497 WeakPolarHBondContact O-CD2 3.34Å; A493-F497 PolarHBondContact O-N 3.06Å; A493-F497 VanDerWaalsContact O-N 3.13Å
494	R	86.7	Confident	84.4	Confident	112 Å²	112	45 Å²	45	42%	0.423	24%	0.235	S	C	.	.	H	α-helix	trans	-58.7	-51.1	173.4	-87.3	-173	-63.7	154.9	0.3	110.9	W319 G490 G491 W496 F497 F498 K553	W319-R494 HydrophobicContact CH2-CB 3.74Å; W319-R494 HydrophobicContact CH2-CG 4.14Å; W319-R494 WeakPolarHBondContact CH2-O 3.33Å; W319-R494 HydrophobicContact CZ3-CB 4.11Å; G490-R494 WeakPolarHBondContact O-CG 3.45Å; G490-R494 PolarHBondContact O-N 2.84Å; G491-R494 WeakPolarHBondContact O-CA 3.36Å; G491-R494 WeakPolarHBondContact O-CB 3.34Å; G491-R494 PolarHBondContact O-N 3.06Å; R494-W496 VanDerWaalsContact C-N 3.31Å; R494-W496 PolarHBondContact O-N 3.27Å; R494-F497 PolarHBondContact O-N 3.17Å; R494-F498 PolarHBondContact O-N 3.04Å; R494-F498 VanDerWaalsContact O-N 3.07Å; R494-K553 HydrophobicContact CG-CD 4.07Å
495	E	89.4	Confident	84.2	Confident	47 Å²	47	42.2 Å²	42.2	22%	0.22	22%	0.222	C	C	.	.	H	α-helix	trans	-56.8	-44.3	178.5	-170.6	-172.5	-162.8	0	0	111.8	M316 R454 F481 G491 V492 F497 F498 L499	M316-E495 HydrophobicContact CE-CG 4.22Å; R454-E495 IonicContact CZ-OE1 3.93Å; R454-E495 IonicContact CZ-OE2 3.66Å; R454-E495 VanDerWaalsContact NH1-CD 3.28Å; R454-E495 IonicContact NH1-OE1 2.69Å; R454-E495 PolarHBondContact NH1-OE1 3.03Å; R454-E495 IonicContact NH1-OE2 3.46Å; R454-E495 PolarHBondContact NH1-OE2 3.41Å; R454-E495 IonicContact NH2-OE1 2.73Å; R454-E495 IonicContact NH2-OE2 3.14Å; R454-E495 PolarHBondContact NH2-OE2 3.26Å; F481-E495 WeakPolarHBondContact CE2-OE2 3.22Å; G491-E495 PolarHBondContact O-N 3.39Å; V492-E495 PolarHBondContact O-N 3.22Å; E495-F497 PolarHBondContact O-N 3.16Å; E495-F498 PolarHBondContact O-N 2.79Å; E495-L499 HydrophobicContact CG-CD1 3.79Å; E495-L499 HydrophobicContact CG-CG 4.12Å; E495-L499 WeakPolarHBondContact O-CB 3.44Å; E495-L499 WeakPolarHBondContact O-CG 3.44Å; E495-L499 PolarHBondContact O-N 2.84Å
496	W	93.9	Very high	84.6	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.5	-43.9	177.7	179.3	78.9	0	0	0	113.1	I450 S461 V465 I479 V492 A493 R494 L500 F544 M547	I450-W496 HydrophobicContact CD1-CH2 4.4Å; I450-W496 HydrophobicContact CG2-CZ2 4.37Å; S461-W496 PolarHBondContact OG-NE1 2.6Å; V465-W496 HydrophobicContact CG2-CH2 4.19Å; V465-W496 HydrophobicContact CG2-CZ2 4.26Å; I479-W496 HydrophobicContact CB-CB 4.43Å; I479-W496 HydrophobicContact CD1-CD2 3.9Å; I479-W496 HydrophobicContact CD1-CE3 3.9Å; I479-W496 HydrophobicContact CD1-CG 4.32Å; I479-W496 HydrophobicContact CD1-CZ3 4.3Å; I479-W496 HydrophobicContact CG1-CB 4.09Å; I479-W496 HydrophobicContact CG1-CD2 4.12Å; I479-W496 HydrophobicContact CG1-CE3 4.21Å; I479-W496 HydrophobicContact CG1-CG 4.08Å; I479-W496 HydrophobicContact CG2-CB 3.9Å; I479-W496 HydrophobicContact CG2-CD2 4.46Å; I479-W496 HydrophobicContact CG2-CG 3.79Å; V492-W496 WeakPolarHBondContact O-CB 3.49Å; V492-W496 PolarHBondContact O-N 2.93Å; A493-W496 PolarHBondContact O-N 3.27Å; R494-W496 VanDerWaalsContact C-N 3.31Å; R494-W496 PolarHBondContact O-N 3.27Å; W496-L500 HydrophobicContact CD2-CD2 4.48Å; W496-L500 HydrophobicContact CH2-CD2 3.91Å; W496-L500 HydrophobicContact CZ2-CD2 3.43Å; W496-L500 VanDerWaalsContact CZ2-CD2 3.43Å; W496-L500 WeakPolarHBondContact O-CB 3.49Å; W496-L500 PolarHBondContact O-N 2.93Å; W496-F544 HydrophobicContact CE3-CE2 4.49Å; W496-F544 AromaticContact CH2-CD2 3.96Å; W496-F544 HydrophobicContact CH2-CD2 3.96Å; W496-F544 HydrophobicContact CH2-CE2 4.27Å; W496-F544 HydrophobicContact CZ3-CD2 4.09Å; W496-F544 HydrophobicContact CZ3-CE2 4.05Å; W496-M547 HydrophobicContact CH2-CE 3.83Å; W496-M547 HydrophobicContact CZ3-CE 4.02Å
497	F	93.5	Very high	85.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.1	-43.3	174.9	-84.9	-77.4	0	0	0	112.1	L477 A493 R494 E495 S501 F544 M547 A548 K553	L477-F497 HydrophobicContact CD1-CE2 3.69Å; L477-F497 HydrophobicContact CD1-CZ 3.75Å; A493-F497 VanDerWaalsContact O-CD2 3.26Å; A493-F497 WeakPolarHBondContact O-CD2 3.34Å; A493-F497 PolarHBondContact O-N 3.06Å; A493-F497 VanDerWaalsContact O-N 3.13Å; R494-F497 PolarHBondContact O-N 3.17Å; E495-F497 PolarHBondContact O-N 3.16Å; F497-S501 WeakPolarHBondContact O-CB 3.3Å; F497-S501 PolarHBondContact O-N 3.38Å; F497-S501 PolarHBondContact O-OG 2.77Å; F497-F544 HydrophobicContact CD1-CD2 4.03Å; F497-F544 AromaticContact CD1-CE2 3.28Å; F497-F544 HydrophobicContact CD1-CE2 3.28Å; F497-F544 AromaticContact CD1-CZ 3.77Å; F497-F544 HydrophobicContact CD1-CZ 3.77Å; F497-F544 AromaticContact CE1-CD2 3.9Å; F497-F544 HydrophobicContact CE1-CD2 3.9Å; F497-F544 AromaticContact CE1-CE2 3.65Å; F497-F544 HydrophobicContact CE1-CE2 3.65Å; F497-F544 HydrophobicContact CE1-CZ 4.44Å; F497-F544 HydrophobicContact CG-CE2 4.19Å; F497-M547 HydrophobicContact CE1-CB 4.14Å; F497-M547 HydrophobicContact CZ-CB 3.95Å; F497-A548 HydrophobicContact CD1-CB 3.73Å; F497-A548 VanDerWaalsContact CE1-CA 3.4Å; F497-A548 HydrophobicContact CE1-CB 3.58Å; F497-K553 HydrophobicContact CB-CB 4.12Å; F497-K553 HydrophobicContact CD1-CB 4.21Å; F497-K553 HydrophobicContact CD2-CB 3.41Å; F497-K553 VanDerWaalsContact CD2-CB 3.41Å; F497-K553 HydrophobicContact CD2-CD 4.43Å; F497-K553 HydrophobicContact CD2-CG 3.51Å; F497-K553 HydrophobicContact CE2-CB 3.8Å; F497-K553 HydrophobicContact CE2-CG 3.58Å; F497-K553 HydrophobicContact CG-CB 3.65Å; F497-K553 HydrophobicContact CG-CG 4.28Å; F497-K553 HydrophobicContact CZ-CB 4.34Å; F497-K553 HydrophobicContact CZ-CG 4.38Å
498	F	89.6	Confident	85.9	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.7	-59.3	174.4	171.7	-100.8	0	0	0	111.5	A315 M316 W319 R494 E495 L500 S501 H502 Y556	A315-F498 HydrophobicContact CB-CE2 4.26Å; A315-F498 HydrophobicContact CB-CZ 4.01Å; M316-F498 VanDerWaalsContact CA-CZ 3.44Å; M316-F498 HydrophobicContact CB-CD1 4.27Å; M316-F498 HydrophobicContact CB-CE1 3.57Å; M316-F498 HydrophobicContact CB-CE2 4.49Å; M316-F498 HydrophobicContact CB-CZ 3.7Å; M316-F498 HydrophobicContact CE-CD1 3.69Å; M316-F498 HydrophobicContact CE-CE1 3.71Å; M316-F498 HydrophobicContact CG-CD1 3.95Å; M316-F498 HydrophobicContact CG-CE1 3.75Å; M316-F498 HydrophobicContact CG-CZ 4.24Å; W319-F498 HydrophobicContact CB-CD2 3.64Å; W319-F498 HydrophobicContact CB-CE2 3.72Å; W319-F498 AromaticContact CD1-CD2 3.76Å; W319-F498 HydrophobicContact CD2-CB 3.78Å; W319-F498 AromaticContact CD2-CD2 3.55Å; W319-F498 HydrophobicContact CD2-CD2 3.55Å; W319-F498 AromaticContact CD2-CG 3.96Å; W319-F498 HydrophobicContact CD2-CG 3.96Å; W319-F498 HydrophobicContact CE3-CB 3.76Å; W319-F498 HydrophobicContact CE3-CD2 4.04Å; W319-F498 HydrophobicContact CE3-CG 4.03Å; W319-F498 HydrophobicContact CG-CB 4.47Å; W319-F498 AromaticContact CG-CD2 3.34Å; W319-F498 HydrophobicContact CG-CD2 3.34Å; W319-F498 AromaticContact CG-CE2 3.93Å; W319-F498 HydrophobicContact CG-CE2 3.93Å; W319-F498 HydrophobicContact CG-CG 4.22Å; W319-F498 HydrophobicContact CH2-CB 3.99Å; W319-F498 HydrophobicContact CZ2-CB 4Å; W319-F498 HydrophobicContact CZ3-CB 3.87Å; R494-F498 PolarHBondContact O-N 3.04Å; R494-F498 VanDerWaalsContact O-N 3.07Å; E495-F498 PolarHBondContact O-N 2.79Å; F498-L500 PolarHBondContact O-N 3.48Å; F498-S501 PolarHBondContact O-N 2.93Å; F498-S501 PolarHBondContact O-OG 2.85Å; F498-H502 PolarHBondContact O-N 3.15Å; F498-H502 VanDerWaalsContact O-N 3.15Å; F498-Y556 HydrophobicContact CD2-CG 4.42Å; F498-Y556 AromaticContact CE2-CD2 3.8Å; F498-Y556 HydrophobicContact CE2-CD2 3.8Å; F498-Y556 AromaticContact CE2-CG 3.87Å; F498-Y556 HydrophobicContact CE2-CG 3.87Å
499	L	91.4	Very high	86.3	Confident	5 Å²	5	22.5 Å²	22.5	3%	0.026	12%	0.115	C	C	.	.	H	α-helix	trans	-60.6	-47.6	-174.3	-68.9	178.6	0	0	0	111.6	M316 L457 F481 E495 S501 H502 E503	M316-L499 HydrophobicContact CE-CD2 3.7Å; M316-L499 HydrophobicContact CE-CG 4.21Å; L457-L499 HydrophobicContact CD2-CB 3.42Å; L457-L499 VanDerWaalsContact CD2-CB 3.42Å; L457-L499 HydrophobicContact CD2-CD1 4.32Å; F481-L499 HydrophobicContact CZ-CD1 4.31Å; E495-L499 HydrophobicContact CG-CD1 3.79Å; E495-L499 HydrophobicContact CG-CG 4.12Å; E495-L499 WeakPolarHBondContact O-CB 3.44Å; E495-L499 WeakPolarHBondContact O-CG 3.44Å; E495-L499 PolarHBondContact O-N 2.84Å; L499-S501 VanDerWaalsContact C-N 3.31Å; L499-S501 PolarHBondContact O-N 3.11Å; L499-H502 WeakPolarHBondContact O-CB 3.39Å; L499-H502 PolarHBondContact O-N 3.02Å; L499-E503 WeakPolarHBondContact O-CG 3.37Å; L499-E503 PolarHBondContact O-N 2.9Å
500	L	93.2	Very high	86.6	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-64.4	-36.2	179.1	-177.9	56.2	0	0	0	111.8	F458 W496 F498 H502 E503 V504 F540 F544	F458-L500 HydrophobicContact CD2-CD1 4.11Å; W496-L500 HydrophobicContact CD2-CD2 4.48Å; W496-L500 HydrophobicContact CH2-CD2 3.91Å; W496-L500 HydrophobicContact CZ2-CD2 3.43Å; W496-L500 VanDerWaalsContact CZ2-CD2 3.43Å; W496-L500 WeakPolarHBondContact O-CB 3.49Å; W496-L500 PolarHBondContact O-N 2.93Å; F498-L500 PolarHBondContact O-N 3.48Å; L500-H502 PolarHBondContact O-N 2.53Å; L500-E503 PolarHBondContact O-N 3.2Å; L500-V504 HydrophobicContact CD1-CG1 4.43Å; L500-V504 WeakPolarHBondContact O-CG1 3.35Å; L500-V504 PolarHBondContact O-N 2.88Å; L500-F540 HydrophobicContact CD1-CE1 4.41Å; L500-F540 HydrophobicContact CD1-CZ 4.09Å; L500-F540 HydrophobicContact CD2-CZ 3.9Å; L500-F540 HydrophobicContact CG-CZ 4.48Å; L500-F544 HydrophobicContact CB-CE2 3.99Å; L500-F544 HydrophobicContact CB-CZ 4.02Å; L500-F544 HydrophobicContact CD2-CD2 3.52Å; L500-F544 HydrophobicContact CD2-CE2 3.51Å; L500-F544 HydrophobicContact CD2-CG 4.2Å; L500-F544 HydrophobicContact CD2-CZ 4.18Å; L500-F544 HydrophobicContact CG-CD2 4.17Å; L500-F544 HydrophobicContact CG-CE1 4.45Å; L500-F544 HydrophobicContact CG-CE2 3.83Å; L500-F544 HydrophobicContact CG-CZ 3.99Å
501	S	90.5	Very high	87.2	Confident	4 Å²	4	17.2 Å²	17.2	3%	0.028	9%	0.086	C	C	.	.	H	α-helix	trans	-69.8	-11.3	173.8	73.4	0	0	0	0	114.9	F497 F498 L499 V504 Y556	F497-S501 WeakPolarHBondContact O-CB 3.3Å; F497-S501 PolarHBondContact O-N 3.38Å; F497-S501 PolarHBondContact O-OG 2.77Å; F498-S501 PolarHBondContact O-N 2.93Å; F498-S501 PolarHBondContact O-OG 2.85Å; L499-S501 VanDerWaalsContact C-N 3.31Å; L499-S501 PolarHBondContact O-N 3.11Å; S501-V504 WeakPolarHBondContact O-CG2 3.38Å; S501-Y556 WeakPolarHBondContact OG-CB 3.45Å; S501-Y556 PolarHBondContact OG-N 3.37Å
502	H	85.2	Confident	87.6	Confident	5 Å²	5	17.4 Å²	17.4	2%	0.023	8%	0.082	C	C	.	.	H	α-helix	trans	-92.1	-42.1	167.9	-165.5	66.8	0	0	0	111.1	W308 F498 L499 L500 V504 L505 Y556	W308-H502 AromaticContact CD1-CE1 3.57Å; W308-H502 AromaticContact CD1-NE2 3.57Å; W308-H502 AromaticContact CE2-CD2 3.55Å; W308-H502 AromaticContact CE2-NE2 3.51Å; W308-H502 AromaticContact CG-NE2 3.99Å; W308-H502 AromaticContact CZ2-CD2 3.64Å; W308-H502 AromaticContact NE1-CD2 3.42Å; W308-H502 PolarHBondContact NE1-CD2 2.83Å; W308-H502 AromaticContact NE1-CE1 3.53Å; W308-H502 AromaticContact NE1-CG 3.75Å; W308-H502 AromaticContact NE1-ND1 3.82Å; W308-H502 AromaticContact NE1-NE2 3.27Å; W308-H502 PolarHBondContact NE1-NE2 3.1Å; W308-H502 PolarHBondContact NE1-O 2.72Å; W308-H502 PolarHBondContact O-CE1 3.02Å; W308-H502 PolarHBondContact O-NE2 3.18Å; F498-H502 PolarHBondContact O-N 3.15Å; F498-H502 VanDerWaalsContact O-N 3.15Å; L499-H502 WeakPolarHBondContact O-CB 3.39Å; L499-H502 PolarHBondContact O-N 3.02Å; L500-H502 PolarHBondContact O-N 2.53Å; H502-V504 PolarHBondContact O-N 3.18Å; H502-L505 WeakPolarHBondContact O-CB 2.84Å; H502-L505 PolarHBondContact O-N 2.95Å; H502-Y556 HydrophobicContact CB-CD1 4.38Å; H502-Y556 AromaticContact CE1-CE1 3.93Å; H502-Y556 AromaticContact ND1-CD1 3.36Å; H502-Y556 WeakPolarHBondContact ND1-CD1 3.29Å; H502-Y556 AromaticContact ND1-CE1 3.38Å; H502-Y556 WeakPolarHBondContact ND1-CE1 3.43Å
503	E	89	Confident	87.2	Confident	23 Å²	23	19.7 Å²	19.7	11%	0.107	9%	0.09	C	C	.	.	H	α-helix	trans	-61.2	-36.2	177.4	-65.7	-58.4	158.4	0	0	113.8	W308 R312 L457 F458 L499 L500 L505 N506	W308-E503 VanDerWaalsContact CH2-OE2 3.29Å; W308-E503 WeakPolarHBondContact CH2-OE2 3.2Å; W308-E503 WeakPolarHBondContact CZ2-OE2 3.36Å; R312-E503 IonicContact CZ-OE1 2.78Å; R312-E503 IonicContact NH1-OE1 3.25Å; R312-E503 PolarHBondContact NH1-OE1 3.44Å; R312-E503 IonicContact NH2-OE1 2.8Å; L457-E503 HydrophobicContact CD2-CG 4.02Å; L457-E503 HydrophobicContact CG-CG 4.45Å; F458-E503 HydrophobicContact CB-CB 4.2Å; F458-E503 HydrophobicContact CD2-CB 4.36Å; L499-E503 WeakPolarHBondContact O-CG 3.37Å; L499-E503 PolarHBondContact O-N 2.9Å; L500-E503 PolarHBondContact O-N 3.2Å; E503-L505 PolarHBondContact O-N 3.46Å; E503-N506 VanDerWaalsContact O-CB 3.26Å; E503-N506 WeakPolarHBondContact O-CB 3.48Å; E503-N506 PolarHBondContact O-N 3.39Å
504	V	89.3	Confident	86.4	Confident	11 Å²	11	23.2 Å²	23.2	7%	0.067	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-16.7	174.3	-65.4	0	0	0	0	113.3	F458 L500 S501 H502 F512 I541	F458-V504 HydrophobicContact CD2-CG1 4.18Å; F458-V504 HydrophobicContact CE2-CB 4.38Å; F458-V504 HydrophobicContact CE2-CG1 3.85Å; L500-V504 HydrophobicContact CD1-CG1 4.43Å; L500-V504 WeakPolarHBondContact O-CG1 3.35Å; L500-V504 PolarHBondContact O-N 2.88Å; S501-V504 WeakPolarHBondContact O-CG2 3.38Å; H502-V504 PolarHBondContact O-N 3.18Å; V504-F512 WeakPolarHBondContact O-CD2 3.29Å; V504-I541 HydrophobicContact CG1-CD1 4.45Å; V504-I541 HydrophobicContact CG1-CG1 3.96Å
505	L	83.3	Confident	85.4	Confident	14 Å²	14	18 Å²	18	7%	0.073	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-1.7	-178.9	-44.6	-178.5	0	0	0	113.4	H502 E503 P507 F512 L522	H502-L505 WeakPolarHBondContact O-CB 2.84Å; H502-L505 PolarHBondContact O-N 2.95Å; E503-L505 PolarHBondContact O-N 3.46Å; L505-P507 VanDerWaalsContact O-CD 3.29Å; L505-P507 WeakPolarHBondContact O-CD 3.42Å; L505-F512 HydrophobicContact CD2-CD2 4.34Å; L505-L522 HydrophobicContact CD1-CD1 4.07Å; L505-L522 HydrophobicContact CD1-CD2 4.46Å; L505-L522 HydrophobicContact CD2-CD1 3.31Å; L505-L522 HydrophobicContact CD2-CD2 3.87Å; L505-L522 HydrophobicContact CD2-CG 4.23Å; L505-L522 HydrophobicContact CG-CD1 4.33Å
506	N	82.2	Confident	84.3	Confident	10 Å²	10	18.1 Å²	18.1	5%	0.053	10%	0.098	C	C	.	.			trans	-61.6	118.6	178.1	176.7	-3.3	0	0	0	109.6	H305 W308 E503 M508 Y509	H305-N506 PolarHBondContact CE1-OD1 2.89Å; H305-N506 PolarHBondContact ND1-OD1 2.93Å; W308-N506 HydrophobicContact CD2-CB 4.42Å; W308-N506 HydrophobicContact CH2-CB 4.05Å; W308-N506 HydrophobicContact CZ2-CB 3.9Å; W308-N506 HydrophobicContact CZ3-CB 4.35Å; E503-N506 VanDerWaalsContact O-CB 3.26Å; E503-N506 WeakPolarHBondContact O-CB 3.48Å; E503-N506 PolarHBondContact O-N 3.39Å; N506-M508 PolarHBondContact O-N 3.3Å; N506-M508 WeakPolarHBondContact OD1-CB 3.48Å; N506-M508 WeakPolarHBondContact OD1-CG 3.29Å; N506-M508 PolarHBondContact OD1-N 3.33Å; N506-M508 VanDerWaalsContact OD1-N 3.15Å; N506-Y509 HydrophobicContact CB-CD2 3.84Å; N506-Y509 HydrophobicContact CB-CE2 3.86Å; N506-Y509 PolarHBondContact O-N 3.44Å; N506-Y509 VanDerWaalsContact O-N 3.15Å
507	P	79.2	Confident	82.8	Confident	25 Å²	25	26.2 Å²	26.2	16%	0.162	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-57	-22.1	-175.8	-28	36.3	0	0	0	114.7	M301 A304 L505 Y509 C510	M301-P507 VanDerWaalsContact CE-O 3.29Å; M301-P507 WeakPolarHBondContact CE-O 3.37Å; M301-P507 HydrophobicContact CG-CB 4.32Å; A304-P507 HydrophobicContact CB-CG 4.18Å; L505-P507 VanDerWaalsContact O-CD 3.29Å; L505-P507 WeakPolarHBondContact O-CD 3.42Å; P507-Y509 VanDerWaalsContact C-N 3.25Å; P507-Y509 PolarHBondContact O-N 3.07Å; P507-C510 PolarHBondContact O-N 2.85Å
508	M	78.5	Confident	81.2	Confident	5 Å²	5	27.4 Å²	27.4	3%	0.025	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-63.1	-25.9	179.8	-60.8	-54.6	179.2	0	0	113.9	W272 T293 M301 L302 H305 N506 C510	W272-M508 HydrophobicContact CH2-CE 3.7Å; W272-M508 HydrophobicContact CH2-SD 3.89Å; W272-M508 HydrophobicContact CZ2-CE 3.69Å; W272-M508 HydrophobicContact CZ2-SD 4.47Å; T293-M508 VanDerWaalsContact CB-O 3.31Å; T293-M508 WeakPolarHBondContact CB-O 3.4Å; T293-M508 HydrophobicContact CG2-SD 3.84Å; T293-M508 PolarHBondContact OG1-O 2.88Å; M301-M508 HydrophobicContact CE-SD 3.72Å; M301-M508 HydrophobicContact SD-SD 4.22Å; L302-M508 HydrophobicContact CD2-CE 4.11Å; H305-M508 HydrophobicContact CB-CE 4.07Å; N506-M508 PolarHBondContact O-N 3.3Å; N506-M508 WeakPolarHBondContact OD1-CB 3.48Å; N506-M508 WeakPolarHBondContact OD1-CG 3.29Å; N506-M508 PolarHBondContact OD1-N 3.33Å; N506-M508 VanDerWaalsContact OD1-N 3.15Å; M508-C510 VanDerWaalsContact C-N 3.31Å
509	Y	84.5	Confident	79.9	Confident	46 Å²	46	32 Å²	32	18%	0.18	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-80.1	-13.5	174.3	-59.7	-59.5	0	0	0	113.4	F458 N506 P507 L511 N531	F458-Y509 HydrophobicContact CB-CE2 4.16Å; F458-Y509 WeakPolarHBondContact CB-OH 3.27Å; F458-Y509 HydrophobicContact CD1-CD1 4.17Å; F458-Y509 HydrophobicContact CD1-CD2 4.39Å; F458-Y509 AromaticContact CD1-CE1 3.54Å; F458-Y509 HydrophobicContact CD1-CE1 3.54Å; F458-Y509 AromaticContact CD1-CE2 3.8Å; F458-Y509 HydrophobicContact CD1-CE2 3.8Å; F458-Y509 AromaticContact CD1-CZ 3.34Å; F458-Y509 HydrophobicContact CD2-CD2 4.4Å; F458-Y509 AromaticContact CD2-CE2 3.95Å; F458-Y509 HydrophobicContact CD2-CE2 3.95Å; F458-Y509 AromaticContact CE1-CD1 3.79Å; F458-Y509 HydrophobicContact CE1-CD1 3.79Å; F458-Y509 HydrophobicContact CE1-CD2 4.21Å; F458-Y509 AromaticContact CE1-CE1 3.65Å; F458-Y509 HydrophobicContact CE1-CE1 3.65Å; F458-Y509 HydrophobicContact CE1-CE2 4.08Å; F458-Y509 HydrophobicContact CE1-CG 4.1Å; F458-Y509 AromaticContact CE1-CZ 3.81Å; F458-Y509 HydrophobicContact CE2-CD2 4.24Å; F458-Y509 HydrophobicContact CE2-CE2 4.24Å; F458-Y509 HydrophobicContact CG-CD2 4.47Å; F458-Y509 HydrophobicContact CG-CE1 4.29Å; F458-Y509 AromaticContact CG-CE2 3.72Å; F458-Y509 HydrophobicContact CG-CE2 3.72Å; F458-Y509 AromaticContact CG-CZ 3.63Å; F458-Y509 HydrophobicContact CZ-CD1 4.33Å; F458-Y509 HydrophobicContact CZ-CD2 4.14Å; F458-Y509 HydrophobicContact CZ-CE1 4.48Å; F458-Y509 HydrophobicContact CZ-CE2 4.3Å; F458-Y509 HydrophobicContact CZ-CG 4.18Å; N506-Y509 HydrophobicContact CB-CD2 3.84Å; N506-Y509 HydrophobicContact CB-CE2 3.86Å; N506-Y509 PolarHBondContact O-N 3.44Å; N506-Y509 VanDerWaalsContact O-N 3.15Å; P507-Y509 VanDerWaalsContact C-N 3.25Å; P507-Y509 PolarHBondContact O-N 3.07Å; Y509-L511 WeakPolarHBondContact O-CG 3.18Å; Y509-L511 PolarHBondContact O-N 2.86Å; Y509-L511 VanDerWaalsContact O-N 3.16Å; Y509-N531 PolarHBondContact O-ND2 3.47Å
510	C	84.2	Confident	78.4	Confident	3 Å²	3	34.1 Å²	34.1	2%	0.02	16%	0.163	C	C	.	.			trans	59.6	18.6	178.5	-48.1	0	0	0	0	115.3	Q295 P507 M508 N525 S528	Q295-C510 HydrophobicContact CG-CB 4.41Å; Q295-C510 WeakPolarHBondContact CG-SG 3.5Å; P507-C510 PolarHBondContact O-N 2.85Å; M508-C510 VanDerWaalsContact C-N 3.31Å; C510-N525 WeakPolarHBondContact O-CB 3.23Å; C510-N525 PolarHBondContact O-ND2 3.01Å; C510-S528 WeakPolarHBondContact O-CA 3.43Å; C510-S528 VanDerWaalsContact O-CB 3.32Å; C510-S528 WeakPolarHBondContact O-CB 3.36Å
511	L	89.4	Confident	77.1	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.01	17%	0.168	C	C	.	.			trans	-81.9	-42.6	-173.7	-55.8	176.7	0	0	0	113.3	F458 Y509 N525 H534 Y537 F538 I541	F458-L511 HydrophobicContact CZ-CD1 4.11Å; Y509-L511 WeakPolarHBondContact O-CG 3.18Å; Y509-L511 PolarHBondContact O-N 2.86Å; Y509-L511 VanDerWaalsContact O-N 3.16Å; L511-N525 WeakPolarHBondContact O-CB 3.28Å; L511-N525 PolarHBondContact O-N 3.34Å; L511-H534 HydrophobicContact CD2-CB 3.77Å; L511-Y537 HydrophobicContact CD1-CG 4.25Å; L511-Y537 HydrophobicContact CD2-CD2 4.37Å; L511-F538 HydrophobicContact CB-CE1 4.18Å; L511-F538 HydrophobicContact CB-CZ 3.87Å; L511-F538 HydrophobicContact CD2-CE2 4.02Å; L511-F538 HydrophobicContact CD2-CZ 4.12Å; L511-F538 WeakPolarHBondContact O-CZ 3.34Å; L511-I541 HydrophobicContact CD1-CD1 3.73Å
512	F	87.9	Confident	76.5	Confident	24 Å²	24	34.8 Å²	34.8	11%	0.105	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	156.8	-178.5	-60.7	-76.8	0	0	0	111.4	V504 L505 Q523 I524 F538 I541 F559	V504-F512 WeakPolarHBondContact O-CD2 3.29Å; L505-F512 HydrophobicContact CD2-CD2 4.34Å; F512-Q523 WeakPolarHBondContact CA-O 3.23Å; F512-I524 HydrophobicContact CD1-CG1 4.28Å; F512-I524 HydrophobicContact CE1-CG1 3.96Å; F512-F538 HydrophobicContact CE1-CE1 4.06Å; F512-F538 HydrophobicContact CZ-CD1 4.46Å; F512-F538 HydrophobicContact CZ-CE1 4Å; F512-I541 HydrophobicContact CE2-CD1 3.81Å; F512-I541 HydrophobicContact CZ-CD1 4.15Å; F512-I541 HydrophobicContact CZ-CG2 4.32Å; F512-F559 HydrophobicContact CE1-CD1 4.45Å; F512-F559 AromaticContact CE1-CE1 3.88Å; F512-F559 HydrophobicContact CE1-CE1 3.88Å; F512-F559 AromaticContact CZ-CE1 3.98Å; F512-F559 HydrophobicContact CZ-CE1 3.98Å
513	E	79.8	Confident	76.5	Confident	73 Å²	73	36.2 Å²	36.2	34%	0.341	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	166.8	167.3	64.1	-177.2	-178	0	0	109.9	Q523 N525 P526	E513-Q523 HydrophobicContact CG-CG 3.51Å; E513-Q523 PolarHBondContact N-O 2.95Å; E513-Q523 PolarHBondContact O-N 3.44Å; E513-Q523 PolarHBondContact OE1-NE2 3.3Å; E513-N525 HydrophobicContact CB-CB 4.49Å; E513-N525 HydrophobicContact CG-CB 4.38Å; E513-P526 WeakPolarHBondContact OE1-CD 3.35Å
514	Y	73.2	Confident	76.6	Confident	78 Å²	78	35.7 Å²	35.7	31%	0.306	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	135.5	175.8	-67.5	-70.6	0	0	0	110.4	G516 K519 L522	Y514-G516 PolarHBondContact O-N 3.49Å; Y514-K519 HydrophobicContact CD1-CB 4.46Å; Y514-K519 HydrophobicContact CE1-CB 4.43Å; Y514-K519 WeakPolarHBondContact CE1-O 3.5Å; Y514-L522 HydrophobicContact CD1-CD2 4.05Å; Y514-L522 HydrophobicContact CE1-CD2 3.87Å
515	A	67.4	Low	76.4	Confident	3 Å²	3	36 Å²	36	3%	0.025	17%	0.173	C	C	.	.	S	Bend	trans	-72.3	114.3	177	0	0	0	0	0	110.5	N518 S521 Q523 T560	A515-N518 PolarHBondContact O-N 3.27Å; A515-S521 PolarHBondContact N-O 3.27Å; A515-Q523 VanDerWaalsContact CB-OE1 3.29Å; A515-T560 HydrophobicContact CB-CG2 4.27Å
516	G	65.2	Low	76.6	Confident	49 Å²	49	37.1 Å²	37.1	51%	0.505	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	-137.4	-174.3	0	0	0	0	0	112.5	Y514	Y514-G516 PolarHBondContact O-N 3.49Å
517	R	62.2	Low	76.7	Confident	171 Å²	171	37.5 Å²	37.5	65%	0.645	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.1	5.7	173.8	-42.9	180	-177.2	174.7	1.6	113.2	S748	R517-S748 WeakPolarHBondContact CB-O 3.35Å; R517-S748 WeakPolarHBondContact CG-O 3.42Å; R517-S748 PolarHBondContact N-O 2.88Å
518	N	59.4	Low	77.2	Confident	24 Å²	24	36.3 Å²	36.3	13%	0.128	18%	0.178	C	C	.	.			trans	-84.2	116.5	-179.3	-179.8	4.4	0	0	0	110.2	A515 Y520 S521	A515-N518 PolarHBondContact O-N 3.27Å; N518-Y520 PolarHBondContact O-N 2.98Å; N518-Y520 WeakPolarHBondContact OD1-CD2 3.36Å; N518-Y520 PolarHBondContact OD1-N 3.3Å; N518-S521 PolarHBondContact ND2-OG 2.86Å; N518-S521 PolarHBondContact O-OG 3.4Å
519	K	63.6	Low	77.6	Confident	98 Å²	98	40.5 Å²	40.5	43%	0.426	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	10.2	-175.2	-56.4	-176.3	-171.3	-179.4	0	114.7	Y514	Y514-K519 HydrophobicContact CD1-CB 4.46Å; Y514-K519 HydrophobicContact CE1-CB 4.43Å; Y514-K519 WeakPolarHBondContact CE1-O 3.5Å
520	Y	60	Low	77.5	Confident	48 Å²	48	40.5 Å²	40.5	19%	0.188	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-24.7	-178.9	-55.3	-53.4	0	0	0	114	N518 R736 P738 Q746	N518-Y520 PolarHBondContact O-N 2.98Å; N518-Y520 WeakPolarHBondContact OD1-CD2 3.36Å; N518-Y520 PolarHBondContact OD1-N 3.3Å; Y520-R736 VanDerWaalsContact O-CZ 3.31Å; Y520-R736 PolarHBondContact O-NH1 3.46Å; Y520-R736 PolarHBondContact O-NH2 2.89Å; Y520-P738 HydrophobicContact CE2-CG 3.87Å; Y520-P738 WeakPolarHBondContact OH-CB 3.4Å; Y520-P738 WeakPolarHBondContact OH-CG 3.46Å; Y520-Q746 HydrophobicContact CD2-CB 4.06Å; Y520-Q746 HydrophobicContact CD2-CG 4.45Å; Y520-Q746 HydrophobicContact CE2-CB 3.63Å; Y520-Q746 HydrophobicContact CE2-CG 3.6Å; Y520-Q746 PolarHBondContact OH-NE2 2.81Å
521	S	65.4	Low	77.5	Confident	14 Å²	14	40.5 Å²	40.5	10%	0.098	20%	0.201	C	C	.	.			trans	-94.4	118.3	-179.2	36.9	0	0	0	0	111	A515 N518	A515-S521 PolarHBondContact N-O 3.27Å; N518-S521 PolarHBondContact ND2-OG 2.86Å; N518-S521 PolarHBondContact O-OG 3.4Å
522	L	77.9	Confident	77.4	Confident	5 Å²	5	42.7 Å²	42.7	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	136.1	-179.8	-64.1	168.9	0	0	0	111.6	L505 Y514 S557 T560	L505-L522 HydrophobicContact CD1-CD1 4.07Å; L505-L522 HydrophobicContact CD1-CD2 4.46Å; L505-L522 HydrophobicContact CD2-CD1 3.31Å; L505-L522 HydrophobicContact CD2-CD2 3.87Å; L505-L522 HydrophobicContact CD2-CG 4.23Å; L505-L522 HydrophobicContact CG-CD1 4.33Å; Y514-L522 HydrophobicContact CD1-CD2 4.05Å; Y514-L522 HydrophobicContact CE1-CD2 3.87Å; L522-S557 WeakPolarHBondContact CD1-OG 3.47Å; L522-T560 PolarHBondContact O-N 3.11Å
523	Q	84.4	Confident	77.6	Confident	35 Å²	35	43.8 Å²	43.8	16%	0.164	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	152.8	168.5	70.8	-168.6	27.7	0	0	110.6	F512 E513 A515 N525	F512-Q523 WeakPolarHBondContact CA-O 3.23Å; E513-Q523 HydrophobicContact CG-CG 3.51Å; E513-Q523 PolarHBondContact N-O 2.95Å; E513-Q523 PolarHBondContact O-N 3.44Å; E513-Q523 PolarHBondContact OE1-NE2 3.3Å; A515-Q523 VanDerWaalsContact CB-OE1 3.29Å; Q523-N525 PolarHBondContact O-N 2.9Å
524	I	90.8	Very high	78.2	Confident	12 Å²	12	41 Å²	41	6%	0.062	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	131.4	171.9	-66.8	176	0	0	0	107.9	F512 P526 F538 F563 V650 Q653	F512-I524 HydrophobicContact CD1-CG1 4.28Å; F512-I524 HydrophobicContact CE1-CG1 3.96Å; I524-P526 WeakPolarHBondContact O-CD 3.41Å; I524-F538 HydrophobicContact CD1-CE1 4.3Å; I524-F538 HydrophobicContact CG1-CE1 4.01Å; I524-F538 HydrophobicContact CG2-CE1 4.12Å; I524-F538 HydrophobicContact CG2-CE2 4.46Å; I524-F538 HydrophobicContact CG2-CZ 3.76Å; I524-F563 HydrophobicContact CD1-CE2 4.05Å; I524-V650 HydrophobicContact CB-CB 4.05Å; I524-V650 HydrophobicContact CB-CG1 3.85Å; I524-V650 HydrophobicContact CG2-CB 3.86Å; I524-V650 HydrophobicContact CG2-CG1 3.66Å; I524-V650 WeakPolarHBondContact O-CG1 3.32Å; I524-Q653 HydrophobicContact CD1-CB 4.07Å; I524-Q653 HydrophobicContact CG2-CB 3.68Å; I524-Q653 HydrophobicContact CG2-CG 3.92Å
525	N	87	Confident	79.4	Confident	16 Å²	16	40 Å²	40	9%	0.086	21%	0.209	C	C	.	.			trans	-71.2	121	173.4	171	19.8	0	0	0	109.5	C510 L511 E513 Q523 A527 S528	C510-N525 WeakPolarHBondContact O-CB 3.23Å; C510-N525 PolarHBondContact O-ND2 3.01Å; L511-N525 WeakPolarHBondContact O-CB 3.28Å; L511-N525 PolarHBondContact O-N 3.34Å; E513-N525 HydrophobicContact CB-CB 4.49Å; E513-N525 HydrophobicContact CG-CB 4.38Å; Q523-N525 PolarHBondContact O-N 2.9Å; N525-A527 PolarHBondContact O-N 3.08Å; N525-A527 WeakPolarHBondContact OD1-CA 3.36Å; N525-A527 WeakPolarHBondContact OD1-CB 3.42Å; N525-A527 PolarHBondContact OD1-N 3.15Å; N525-S528 PolarHBondContact ND2-N 2.67Å; N525-S528 WeakPolarHBondContact O-CB 3.33Å; N525-S528 PolarHBondContact O-N 3.01Å; N525-S528 VanDerWaalsContact O-N 3.07Å; N525-S528 PolarHBondContact O-OG 2.93Å
526	P	87.1	Confident	80.7	Confident	38 Å²	38	45.3 Å²	45.3	25%	0.247	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-61.9	-31	175.4	-21.9	33.8	0	0	0	112.9	E513 I524 S528 F529 G649 V650	E513-P526 WeakPolarHBondContact OE1-CD 3.35Å; I524-P526 WeakPolarHBondContact O-CD 3.41Å; P526-S528 PolarHBondContact O-N 3.23Å; P526-F529 VanDerWaalsContact O-CD1 3.24Å; P526-F529 WeakPolarHBondContact O-CD1 3.44Å; P526-F529 WeakPolarHBondContact O-CE1 3.14Å; P526-G649 WeakPolarHBondContact CA-O 3.12Å; P526-V650 HydrophobicContact CB-CG1 4.37Å; P526-V650 HydrophobicContact CG-CG1 4.01Å
527	A	84.1	Confident	82.2	Confident	18 Å²	18	44 Å²	44	15%	0.149	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-83.1	19.1	175.2	0	0	0	0	0	113.7	N525 F529 V530	N525-A527 PolarHBondContact O-N 3.08Å; N525-A527 WeakPolarHBondContact OD1-CA 3.36Å; N525-A527 WeakPolarHBondContact OD1-CB 3.42Å; N525-A527 PolarHBondContact OD1-N 3.15Å; A527-F529 PolarHBondContact O-N 2.76Å; A527-V530 WeakPolarHBondContact O-CG2 3.2Å; A527-V530 PolarHBondContact O-N 2.83Å
528	S	90	Very high	83.9	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-65.4	-21.3	178.2	47.8	0	0	0	0	113.6	C510 N525 P526 V530 N531 H534 Q653	C510-S528 WeakPolarHBondContact O-CA 3.43Å; C510-S528 VanDerWaalsContact O-CB 3.32Å; C510-S528 WeakPolarHBondContact O-CB 3.36Å; N525-S528 PolarHBondContact ND2-N 2.67Å; N525-S528 WeakPolarHBondContact O-CB 3.33Å; N525-S528 PolarHBondContact O-N 3.01Å; N525-S528 VanDerWaalsContact O-N 3.07Å; N525-S528 PolarHBondContact O-OG 2.93Å; P526-S528 PolarHBondContact O-N 3.23Å; S528-V530 PolarHBondContact O-N 2.78Å; S528-V530 VanDerWaalsContact O-N 3.08Å; S528-N531 WeakPolarHBondContact O-CB 3.41Å; S528-N531 PolarHBondContact O-N 2.95Å; S528-H534 WeakPolarHBondContact O-CB 3.2Å; S528-H534 PolarHBondContact OG-ND1 3.17Å; S528-Q653 WeakPolarHBondContact OG-CG 3.44Å; S528-Q653 PolarHBondContact OG-NE2 2.93Å
529	F	87.3	Confident	85.7	Confident	93 Å²	93	36.3 Å²	36.3	41%	0.408	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-60.9	-14.2	175.1	63.2	-100.7	0	0	0	114.5	P526 A527 N531 L612	P526-F529 VanDerWaalsContact O-CD1 3.24Å; P526-F529 WeakPolarHBondContact O-CD1 3.44Å; P526-F529 WeakPolarHBondContact O-CE1 3.14Å; A527-F529 PolarHBondContact O-N 2.76Å; F529-N531 PolarHBondContact O-N 2.72Å; F529-L612 HydrophobicContact CE2-CD1 4.07Å; F529-L612 HydrophobicContact CZ-CD1 3.86Å; F529-L612 HydrophobicContact CZ-CG 4.4Å
530	V	80.5	Confident	87.3	Confident	47 Å²	47	31.6 Å²	31.6	29%	0.285	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-62.3	-28.8	170.1	178.9	0	0	0	0	111	W294 Q295 A527 S528 P532	W294-V530 HydrophobicContact CB-CG1 4.08Å; W294-V530 VanDerWaalsContact CB-O 3.28Å; W294-V530 WeakPolarHBondContact CB-O 3.45Å; Q295-V530 HydrophobicContact CG-CB 4.21Å; Q295-V530 HydrophobicContact CG-CG1 3.69Å; A527-V530 WeakPolarHBondContact O-CG2 3.2Å; A527-V530 PolarHBondContact O-N 2.83Å; S528-V530 PolarHBondContact O-N 2.78Å; S528-V530 VanDerWaalsContact O-N 3.08Å; V530-P532 WeakPolarHBondContact O-CD 3.45Å
531	N	84.8	Confident	89.1	Confident	2 Å²	2	29.4 Å²	29.4	1%	0.011	16%	0.155	C	C	.	.	S	Bend	trans	-86.7	110.3	166	177.3	-8.5	0	0	0	108.7	Y509 S528 F529 D533 H534 Y537	Y509-N531 PolarHBondContact O-ND2 3.47Å; S528-N531 WeakPolarHBondContact O-CB 3.41Å; S528-N531 PolarHBondContact O-N 2.95Å; F529-N531 PolarHBondContact O-N 2.72Å; N531-D533 PolarHBondContact O-N 3.43Å; N531-D533 VanDerWaalsContact O-N 3.07Å; N531-D533 PolarHBondContact OD1-N 2.65Å; N531-H534 HydrophobicContact CB-CB 4.27Å; N531-H534 VanDerWaalsContact O-CB 3.28Å; N531-H534 WeakPolarHBondContact O-CB 3.49Å; N531-H534 PolarHBondContact O-CD2 3.43Å; N531-H534 PolarHBondContact O-N 3.47Å; N531-Y537 WeakPolarHBondContact ND2-CE2 3.19Å
532	P	87.9	Confident	90.5	Very high	49 Å²	49	28.8 Å²	28.8	32%	0.318	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-15.7	-172.8	29	-36.9	0	0	0	114.1	W294 V530	W294-P532 HydrophobicContact CD2-CG 4.31Å; W294-P532 HydrophobicContact CH2-CG 4.18Å; W294-P532 HydrophobicContact CZ2-CG 3.79Å; V530-P532 WeakPolarHBondContact O-CD 3.45Å
533	D	91.6	Very high	91.5	Very high	46 Å²	46	30.3 Å²	30.3	25%	0.246	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	8	178.2	-70.8	-74	0	0	0	112.6	N531 L535 K536 Y537	N531-D533 PolarHBondContact O-N 3.43Å; N531-D533 VanDerWaalsContact O-N 3.07Å; N531-D533 PolarHBondContact OD1-N 2.65Å; D533-L535 VanDerWaalsContact C-N 3.33Å; D533-L535 PolarHBondContact O-N 3.3Å; D533-K536 HydrophobicContact CB-CD 4.41Å; D533-K536 WeakPolarHBondContact O-CA 3.49Å; D533-K536 WeakPolarHBondContact O-CB 3.4Å; D533-K536 PolarHBondContact O-N 3.01Å; D533-K536 VanDerWaalsContact OD1-CD 3.3Å; D533-K536 WeakPolarHBondContact OD1-CD 3.45Å; D533-K536 VanDerWaalsContact OD1-CE 3.24Å; D533-K536 WeakPolarHBondContact OD1-CE 3.18Å; D533-K536 IonicContact OD1-NZ 3.47Å; D533-K536 PolarHBondContact OD1-NZ 3.07Å; D533-Y537 HydrophobicContact CB-CD2 4.06Å; D533-Y537 HydrophobicContact CB-CE2 3.64Å; D533-Y537 VanDerWaalsContact O-CD2 3.28Å; D533-Y537 WeakPolarHBondContact O-CD2 3.15Å; D533-Y537 PolarHBondContact O-N 2.89Å
534	H	93.6	Very high	92.1	Very high	15 Å²	15	28.7 Å²	28.7	7%	0.069	15%	0.148	C	C	.	.	H	α-helix	trans	-50.8	-44.2	-175.4	73.6	128.9	0	0	0	113.9	L511 S528 N531 K536 Y537 F538	L511-H534 HydrophobicContact CD2-CB 3.77Å; S528-H534 WeakPolarHBondContact O-CB 3.2Å; S528-H534 PolarHBondContact OG-ND1 3.17Å; N531-H534 HydrophobicContact CB-CB 4.27Å; N531-H534 VanDerWaalsContact O-CB 3.28Å; N531-H534 WeakPolarHBondContact O-CB 3.49Å; N531-H534 PolarHBondContact O-CD2 3.43Å; N531-H534 PolarHBondContact O-N 3.47Å; H534-K536 VanDerWaalsContact C-N 3.3Å; H534-K536 PolarHBondContact O-N 3.05Å; H534-Y537 CarbonylContact O-C 3.57Å; H534-Y537 PolarHBondContact O-N 3.18Å; H534-Y537 VanDerWaalsContact O-N 3.12Å; H534-F538 HydrophobicContact CB-CD2 4.36Å; H534-F538 HydrophobicContact CB-CE2 4.05Å; H534-F538 AromaticContact ND1-CE2 3.96Å; H534-F538 WeakPolarHBondContact O-CD2 3.37Å; H534-F538 PolarHBondContact O-N 2.76Å
535	L	96.7	Very high	92.3	Very high	58 Å²	58	28.3 Å²	28.3	30%	0.304	15%	0.147	S	C	.	.	H	α-helix	trans	-63.1	-33.5	177.3	-57.1	-175.1	0	0	0	112.9	D533 T539 E652 Q653 A656	D533-L535 VanDerWaalsContact C-N 3.33Å; D533-L535 PolarHBondContact O-N 3.3Å; L535-T539 WeakPolarHBondContact O-CB 3.36Å; L535-T539 PolarHBondContact O-N 3.14Å; L535-T539 PolarHBondContact O-OG1 2.66Å; L535-E652 HydrophobicContact CD1-CB 4.43Å; L535-E652 HydrophobicContact CD2-CB 3.82Å; L535-Q653 HydrophobicContact CD2-CG 4.19Å; L535-A656 HydrophobicContact CB-CB 4.22Å; L535-A656 HydrophobicContact CD2-CB 4.29Å; L535-A656 WeakPolarHBondContact O-CB 3.43Å
536	K	96.5	Very high	92.7	Very high	113 Å²	113	27.6 Å²	27.6	49%	0.491	14%	0.143	S	C	.	.	H	α-helix	trans	-68.7	-42.2	173.7	-56.6	178.7	-169	161.6	0	110.3	F462 D533 H534 T539 F540	F462-K536 HydrophobicContact CE2-CB 4.07Å; F462-K536 HydrophobicContact CZ-CB 4Å; D533-K536 HydrophobicContact CB-CD 4.41Å; D533-K536 WeakPolarHBondContact O-CA 3.49Å; D533-K536 WeakPolarHBondContact O-CB 3.4Å; D533-K536 PolarHBondContact O-N 3.01Å; D533-K536 VanDerWaalsContact OD1-CD 3.3Å; D533-K536 WeakPolarHBondContact OD1-CD 3.45Å; D533-K536 VanDerWaalsContact OD1-CE 3.24Å; D533-K536 WeakPolarHBondContact OD1-CE 3.18Å; D533-K536 IonicContact OD1-NZ 3.47Å; D533-K536 PolarHBondContact OD1-NZ 3.07Å; H534-K536 VanDerWaalsContact C-N 3.3Å; H534-K536 PolarHBondContact O-N 3.05Å; K536-T539 WeakPolarHBondContact O-CB 3.33Å; K536-T539 PolarHBondContact O-N 2.94Å; K536-F540 PolarHBondContact O-N 2.85Å
537	Y	96.5	Very high	93.2	Very high	23 Å²	23	25.8 Å²	25.8	9%	0.09	13%	0.131	C	C	.	.	H	α-helix	trans	-63.7	-41.9	174.7	-65.3	-60	0	0	0	112.1	F458 E459 F462 L511 N531 D533 H534 T539 F540 I541	F458-Y537 HydrophobicContact CD1-CE1 4.37Å; F458-Y537 AromaticContact CE1-CD1 3.52Å; F458-Y537 HydrophobicContact CE1-CD1 3.52Å; F458-Y537 AromaticContact CE1-CE1 3.41Å; F458-Y537 HydrophobicContact CE1-CE1 3.41Å; F458-Y537 VanDerWaalsContact CE1-CE1 3.41Å; F458-Y537 HydrophobicContact CE1-CG 4.36Å; F458-Y537 AromaticContact CZ-CD1 3.65Å; F458-Y537 HydrophobicContact CZ-CD1 3.65Å; F458-Y537 HydrophobicContact CZ-CE1 4.06Å; F458-Y537 HydrophobicContact CZ-CG 4.23Å; E459-Y537 WeakPolarHBondContact OE1-CE1 3.46Å; E459-Y537 PolarHBondContact OE1-OH 2.74Å; F462-Y537 HydrophobicContact CD1-CE1 4.11Å; F462-Y537 AromaticContact CD2-CD1 3.68Å; F462-Y537 HydrophobicContact CD2-CD1 3.68Å; F462-Y537 AromaticContact CD2-CE1 3.95Å; F462-Y537 HydrophobicContact CD2-CE1 3.95Å; F462-Y537 HydrophobicContact CE1-CE1 4.26Å; F462-Y537 AromaticContact CE2-CD1 3.82Å; F462-Y537 HydrophobicContact CE2-CD1 3.82Å; F462-Y537 HydrophobicContact CE2-CE1 4.1Å; F462-Y537 HydrophobicContact CG-CD1 4.15Å; F462-Y537 AromaticContact CG-CE1 3.97Å; F462-Y537 HydrophobicContact CG-CE1 3.97Å; F462-Y537 HydrophobicContact CZ-CD1 4.38Å; F462-Y537 HydrophobicContact CZ-CE1 4.26Å; L511-Y537 HydrophobicContact CD1-CG 4.25Å; L511-Y537 HydrophobicContact CD2-CD2 4.37Å; N531-Y537 WeakPolarHBondContact ND2-CE2 3.19Å; D533-Y537 HydrophobicContact CB-CD2 4.06Å; D533-Y537 HydrophobicContact CB-CE2 3.64Å; D533-Y537 VanDerWaalsContact O-CD2 3.28Å; D533-Y537 WeakPolarHBondContact O-CD2 3.15Å; D533-Y537 PolarHBondContact O-N 2.89Å; H534-Y537 CarbonylContact O-C 3.57Å; H534-Y537 PolarHBondContact O-N 3.18Å; H534-Y537 VanDerWaalsContact O-N 3.12Å; Y537-T539 PolarHBondContact O-N 2.69Å; Y537-F540 WeakPolarHBondContact O-CB 3.35Å; Y537-F540 PolarHBondContact O-N 2.93Å; Y537-I541 WeakPolarHBondContact O-CD1 3.35Å; Y537-I541 WeakPolarHBondContact O-CG1 3.38Å; Y537-I541 PolarHBondContact O-N 3.06Å
538	F	97	Very high	93.7	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.5	-40.1	173	-72.7	-63.7	0	0	0	112.4	L511 F512 I524 H534 F540 I541 G542 Q653 A656 F657	L511-F538 HydrophobicContact CB-CE1 4.18Å; L511-F538 HydrophobicContact CB-CZ 3.87Å; L511-F538 HydrophobicContact CD2-CE2 4.02Å; L511-F538 HydrophobicContact CD2-CZ 4.12Å; L511-F538 WeakPolarHBondContact O-CZ 3.34Å; F512-F538 HydrophobicContact CE1-CE1 4.06Å; F512-F538 HydrophobicContact CZ-CD1 4.46Å; F512-F538 HydrophobicContact CZ-CE1 4Å; I524-F538 HydrophobicContact CD1-CE1 4.3Å; I524-F538 HydrophobicContact CG1-CE1 4.01Å; I524-F538 HydrophobicContact CG2-CE1 4.12Å; I524-F538 HydrophobicContact CG2-CE2 4.46Å; I524-F538 HydrophobicContact CG2-CZ 3.76Å; H534-F538 HydrophobicContact CB-CD2 4.36Å; H534-F538 HydrophobicContact CB-CE2 4.05Å; H534-F538 AromaticContact ND1-CE2 3.96Å; H534-F538 WeakPolarHBondContact O-CD2 3.37Å; H534-F538 PolarHBondContact O-N 2.76Å; F538-F540 VanDerWaalsContact C-N 3.33Å; F538-F540 PolarHBondContact O-N 3.47Å; F538-I541 HydrophobicContact CD1-CD1 4.44Å; F538-I541 PolarHBondContact O-N 3.04Å; F538-G542 PolarHBondContact O-N 2.83Å; F538-Q653 HydrophobicContact CD1-CB 4.43Å; F538-Q653 HydrophobicContact CD2-CB 3.58Å; F538-Q653 HydrophobicContact CD2-CG 3.68Å; F538-Q653 HydrophobicContact CE1-CB 4.43Å; F538-Q653 HydrophobicContact CE2-CB 3.59Å; F538-Q653 HydrophobicContact CE2-CG 3.36Å; F538-Q653 HydrophobicContact CG-CB 4.05Å; F538-Q653 HydrophobicContact CZ-CB 4.04Å; F538-Q653 HydrophobicContact CZ-CG 4.05Å; F538-A656 HydrophobicContact CB-CB 3.98Å; F538-F657 HydrophobicContact CB-CB 4.44Å; F538-F657 WeakPolarHBondContact O-CA 3.45Å
539	T	97.7	Very high	93.9	Very high	32 Å²	32	25 Å²	25	20%	0.196	12%	0.124	C	C	.	.	H	α-helix	trans	-60.1	-43	173.2	-53.5	0	0	0	0	111.6	M466 L535 K536 Y537 G542 R543 A656 G660	M466-T539 HydrophobicContact CE-CG2 3.92Å; M466-T539 HydrophobicContact SD-CG2 4.43Å; L535-T539 WeakPolarHBondContact O-CB 3.36Å; L535-T539 PolarHBondContact O-N 3.14Å; L535-T539 PolarHBondContact O-OG1 2.66Å; K536-T539 WeakPolarHBondContact O-CB 3.33Å; K536-T539 PolarHBondContact O-N 2.94Å; Y537-T539 PolarHBondContact O-N 2.69Å; T539-G542 PolarHBondContact O-N 2.64Å; T539-R543 PolarHBondContact O-N 3.1Å; T539-R543 VanDerWaalsContact O-N 3.09Å; T539-A656 WeakPolarHBondContact CA-O 3.31Å; T539-G660 VanDerWaalsContact O-CA 3.32Å; T539-G660 WeakPolarHBondContact O-CA 3.22Å
540	F	97.5	Very high	94.3	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.7	-46	174.1	159.2	-118.1	0	0	0	112.5	F458 F462 V465 M466 L500 K536 Y537 F538 G542 R543 F544	F458-F540 HydrophobicContact CD2-CE1 4.38Å; F458-F540 HydrophobicContact CE2-CE1 4.14Å; F458-F540 HydrophobicContact CZ-CE1 4.49Å; F462-F540 HydrophobicContact CB-CD1 4.09Å; F462-F540 HydrophobicContact CB-CE1 4.04Å; F462-F540 HydrophobicContact CB-CE2 4.48Å; F462-F540 HydrophobicContact CB-CG 4.31Å; F462-F540 HydrophobicContact CB-CZ 4.23Å; F462-F540 HydrophobicContact CD2-CB 3.58Å; F462-F540 AromaticContact CD2-CD1 3.83Å; F462-F540 HydrophobicContact CD2-CD1 3.83Å; F462-F540 HydrophobicContact CD2-CD2 4.41Å; F462-F540 AromaticContact CD2-CG 3.69Å; F462-F540 HydrophobicContact CD2-CG 3.69Å; F462-F540 HydrophobicContact CE2-CB 4.02Å; F462-F540 HydrophobicContact CG-CD1 4.46Å; F462-F540 HydrophobicContact CG-CG 4.49Å; V465-F540 HydrophobicContact CB-CD2 3.94Å; V465-F540 HydrophobicContact CB-CE2 3.85Å; V465-F540 HydrophobicContact CG1-CD2 3.99Å; V465-F540 HydrophobicContact CG1-CE2 4.22Å; V465-F540 HydrophobicContact CG2-CE2 4.1Å; M466-F540 HydrophobicContact CG-CB 3.97Å; M466-F540 HydrophobicContact SD-CB 3.79Å; L500-F540 HydrophobicContact CD1-CE1 4.41Å; L500-F540 HydrophobicContact CD1-CZ 4.09Å; L500-F540 HydrophobicContact CD2-CZ 3.9Å; L500-F540 HydrophobicContact CG-CZ 4.48Å; K536-F540 PolarHBondContact O-N 2.85Å; Y537-F540 WeakPolarHBondContact O-CB 3.35Å; Y537-F540 PolarHBondContact O-N 2.93Å; F538-F540 VanDerWaalsContact C-N 3.33Å; F538-F540 PolarHBondContact O-N 3.47Å; F540-G542 VanDerWaalsContact C-N 3.31Å; F540-G542 PolarHBondContact O-N 2.95Å; F540-R543 WeakPolarHBondContact O-CB 3.19Å; F540-R543 PolarHBondContact O-N 2.81Å; F540-F544 WeakPolarHBondContact O-CB 3.25Å; F540-F544 PolarHBondContact O-N 3Å
541	I	96.3	Very high	94.8	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-62.7	-41.4	178.4	-64.8	156.8	0	0	0	109.9	V504 L511 F512 Y537 F538 R543 F544 I545 F657	V504-I541 HydrophobicContact CG1-CD1 4.45Å; V504-I541 HydrophobicContact CG1-CG1 3.96Å; L511-I541 HydrophobicContact CD1-CD1 3.73Å; F512-I541 HydrophobicContact CE2-CD1 3.81Å; F512-I541 HydrophobicContact CZ-CD1 4.15Å; F512-I541 HydrophobicContact CZ-CG2 4.32Å; Y537-I541 WeakPolarHBondContact O-CD1 3.35Å; Y537-I541 WeakPolarHBondContact O-CG1 3.38Å; Y537-I541 PolarHBondContact O-N 3.06Å; F538-I541 HydrophobicContact CD1-CD1 4.44Å; F538-I541 PolarHBondContact O-N 3.04Å; I541-R543 PolarHBondContact O-N 2.97Å; I541-F544 WeakPolarHBondContact O-CB 3.47Å; I541-F544 PolarHBondContact O-N 3.27Å; I541-F544 VanDerWaalsContact O-N 3.15Å; I541-I545 HydrophobicContact CG2-CG1 4.1Å; I541-I545 VanDerWaalsContact O-CG1 3.28Å; I541-I545 WeakPolarHBondContact O-CG1 3.28Å; I541-I545 PolarHBondContact O-N 3.42Å; I541-F657 HydrophobicContact CG2-CD2 4.14Å; I541-F657 HydrophobicContact CG2-CE2 3.91Å
542	G	96.3	Very high	95.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-55.2	-49.1	172.2	0	0	0	0	0	112.4	F538 T539 F540 F544 I545 A546 F657 F661	F538-G542 PolarHBondContact O-N 2.83Å; T539-G542 PolarHBondContact O-N 2.64Å; F540-G542 VanDerWaalsContact C-N 3.31Å; F540-G542 PolarHBondContact O-N 2.95Å; G542-F544 PolarHBondContact O-N 3.36Å; G542-I545 PolarHBondContact O-N 3.21Å; G542-A546 WeakPolarHBondContact O-CB 3.28Å; G542-A546 PolarHBondContact O-N 2.99Å; G542-F657 WeakPolarHBondContact CA-O 3.5Å; G542-F661 WeakPolarHBondContact O-CA 3.48Å
543	R	97.6	Very high	95.3	Very high	37 Å²	37	22 Å²	22	14%	0.14	11%	0.111	C	C	.	.	H	α-helix	trans	-58.9	-44.9	173.6	-73	-176.9	172.1	-161.4	1.9	112.1	V465 M466 K468 S470 L473 T539 F540 I541 A546 M547 G660 V664	V465-R543 HydrophobicContact CG1-CB 4.07Å; V465-R543 PolarHBondContact O-NH1 2.91Å; M466-R543 PolarHBondContact O-NH1 2.65Å; K468-R543 PolarHBondContact O-NH1 2.97Å; S470-R543 PolarHBondContact OG-NE 3.11Å; S470-R543 PolarHBondContact OG-NH2 3.34Å; L473-R543 HydrophobicContact CD1-CB 4.41Å; T539-R543 PolarHBondContact O-N 3.1Å; T539-R543 VanDerWaalsContact O-N 3.09Å; F540-R543 WeakPolarHBondContact O-CB 3.19Å; F540-R543 PolarHBondContact O-N 2.81Å; I541-R543 PolarHBondContact O-N 2.97Å; R543-A546 PolarHBondContact O-N 3.07Å; R543-M547 VanDerWaalsContact O-CG 3.24Å; R543-M547 WeakPolarHBondContact O-CG 3.46Å; R543-M547 PolarHBondContact O-N 3.01Å; R543-G660 VanDerWaalsContact CG-O 3.24Å; R543-G660 WeakPolarHBondContact CG-O 3.45Å; R543-V664 HydrophobicContact CB-CG2 3.97Å; R543-V664 HydrophobicContact CG-CG2 3.91Å
544	F	96.9	Very high	95.2	Very high	1 Å²	1	21.2 Å²	21.2	0%	0.004	11%	0.106	C	C	.	.	H	α-helix	trans	-63.3	-45.2	-179.3	166.9	-107.3	0	0	0	112.8	W496 F497 L500 F540 I541 G542 M547 A548 I555	W496-F544 HydrophobicContact CE3-CE2 4.49Å; W496-F544 AromaticContact CH2-CD2 3.96Å; W496-F544 HydrophobicContact CH2-CD2 3.96Å; W496-F544 HydrophobicContact CH2-CE2 4.27Å; W496-F544 HydrophobicContact CZ3-CD2 4.09Å; W496-F544 HydrophobicContact CZ3-CE2 4.05Å; F497-F544 HydrophobicContact CD1-CD2 4.03Å; F497-F544 AromaticContact CD1-CE2 3.28Å; F497-F544 HydrophobicContact CD1-CE2 3.28Å; F497-F544 AromaticContact CD1-CZ 3.77Å; F497-F544 HydrophobicContact CD1-CZ 3.77Å; F497-F544 AromaticContact CE1-CD2 3.9Å; F497-F544 HydrophobicContact CE1-CD2 3.9Å; F497-F544 AromaticContact CE1-CE2 3.65Å; F497-F544 HydrophobicContact CE1-CE2 3.65Å; F497-F544 HydrophobicContact CE1-CZ 4.44Å; F497-F544 HydrophobicContact CG-CE2 4.19Å; L500-F544 HydrophobicContact CB-CE2 3.99Å; L500-F544 HydrophobicContact CB-CZ 4.02Å; L500-F544 HydrophobicContact CD2-CD2 3.52Å; L500-F544 HydrophobicContact CD2-CE2 3.51Å; L500-F544 HydrophobicContact CD2-CG 4.2Å; L500-F544 HydrophobicContact CD2-CZ 4.18Å; L500-F544 HydrophobicContact CG-CD2 4.17Å; L500-F544 HydrophobicContact CG-CE1 4.45Å; L500-F544 HydrophobicContact CG-CE2 3.83Å; L500-F544 HydrophobicContact CG-CZ 3.99Å; F540-F544 WeakPolarHBondContact O-CB 3.25Å; F540-F544 PolarHBondContact O-N 3Å; I541-F544 WeakPolarHBondContact O-CB 3.47Å; I541-F544 PolarHBondContact O-N 3.27Å; I541-F544 VanDerWaalsContact O-N 3.15Å; G542-F544 PolarHBondContact O-N 3.36Å; F544-M547 WeakPolarHBondContact O-CB 3.43Å; F544-M547 PolarHBondContact O-N 3.14Å; F544-A548 PolarHBondContact O-N 2.84Å; F544-I555 HydrophobicContact CE1-CG2 4.27Å; F544-I555 HydrophobicContact CZ-CG2 4.4Å
545	I	95.5	Very high	95	Very high	5 Å²	5	20.7 Å²	20.7	3%	0.026	10%	0.103	C	C	.	.	H	α-helix	trans	-64.5	-40.9	176.4	-63.9	-63.2	0	0	0	110.7	I541 G542 A548 L549 I555 F559 F657 F661 L682	I541-I545 HydrophobicContact CG2-CG1 4.1Å; I541-I545 VanDerWaalsContact O-CG1 3.28Å; I541-I545 WeakPolarHBondContact O-CG1 3.28Å; I541-I545 PolarHBondContact O-N 3.42Å; G542-I545 PolarHBondContact O-N 3.21Å; I545-A548 WeakPolarHBondContact O-CB 3.34Å; I545-A548 PolarHBondContact O-N 2.68Å; I545-L549 PolarHBondContact O-N 2.98Å; I545-L549 VanDerWaalsContact O-N 3.08Å; I545-I555 HydrophobicContact CD1-CD1 3.68Å; I545-I555 HydrophobicContact CD1-CG2 4.24Å; I545-F559 HydrophobicContact CD1-CE2 3.9Å; I545-F559 HydrophobicContact CD1-CZ 3.98Å; I545-F559 HydrophobicContact CG1-CE2 4.05Å; I545-F559 HydrophobicContact CG1-CZ 4.03Å; I545-F559 HydrophobicContact CG2-CE2 4.43Å; I545-F657 HydrophobicContact CB-CE2 4.47Å; I545-F657 HydrophobicContact CB-CZ 4.15Å; I545-F657 HydrophobicContact CG1-CE2 4.01Å; I545-F657 HydrophobicContact CG1-CZ 4.1Å; I545-F657 HydrophobicContact CG2-CZ 4.18Å; I545-F661 HydrophobicContact CG2-CD2 4.23Å; I545-F661 HydrophobicContact CG2-CE2 4Å; I545-L682 HydrophobicContact CG2-CD1 3.88Å; I545-L682 HydrophobicContact CG2-CD2 4.01Å
546	A	96.3	Very high	94.2	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.3	-38.3	173.8	0	0	0	0	0	112.5	G542 R543 A548 L549 F550 F661 V664 F665	G542-A546 WeakPolarHBondContact O-CB 3.28Å; G542-A546 PolarHBondContact O-N 2.99Å; R543-A546 PolarHBondContact O-N 3.07Å; A546-A548 VanDerWaalsContact C-N 3.33Å; A546-A548 PolarHBondContact O-N 3.08Å; A546-L549 PolarHBondContact O-N 2.91Å; A546-F550 VanDerWaalsContact O-CB 3.26Å; A546-F550 WeakPolarHBondContact O-CB 3.02Å; A546-F550 PolarHBondContact O-N 2.96Å; A546-F661 HydrophobicContact CB-CB 4.47Å; A546-F661 HydrophobicContact CB-CD1 4.17Å; A546-F661 HydrophobicContact CB-CD2 3.87Å; A546-F661 HydrophobicContact CB-CE1 4.35Å; A546-F661 HydrophobicContact CB-CE2 4.11Å; A546-F661 HydrophobicContact CB-CG 3.91Å; A546-F661 HydrophobicContact CB-CZ 4.33Å; A546-V664 HydrophobicContact CB-CB 3.67Å; A546-V664 HydrophobicContact CB-CG1 4.05Å; A546-V664 HydrophobicContact CB-CG2 4.1Å; A546-F665 HydrophobicContact CB-CD1 4.04Å; A546-F665 HydrophobicContact CB-CE1 3.83Å; A546-F665 WeakPolarHBondContact O-CE1 3.44Å
547	M	96.4	Very high	93.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.8	-39.5	171.6	-72	166	62.2	0	0	112	I450 V465 L473 L477 W496 F497 R543 F544 F550 H551 V664	I450-M547 HydrophobicContact CD1-CE 4.05Å; V465-M547 HydrophobicContact CG1-SD 3.92Å; V465-M547 HydrophobicContact CG2-CE 4.32Å; V465-M547 HydrophobicContact CG2-SD 4.28Å; L473-M547 HydrophobicContact CB-CG 4.05Å; L473-M547 HydrophobicContact CB-SD 4.16Å; L473-M547 HydrophobicContact CD1-CG 4.48Å; L473-M547 HydrophobicContact CD1-SD 3.9Å; L473-M547 HydrophobicContact CD2-CE 4.2Å; L473-M547 HydrophobicContact CD2-SD 3.89Å; L473-M547 HydrophobicContact CG-SD 4.2Å; L477-M547 HydrophobicContact CD1-CE 3.79Å; L477-M547 HydrophobicContact CD2-CE 3.93Å; W496-M547 HydrophobicContact CH2-CE 3.83Å; W496-M547 HydrophobicContact CZ3-CE 4.02Å; F497-M547 HydrophobicContact CE1-CB 4.14Å; F497-M547 HydrophobicContact CZ-CB 3.95Å; R543-M547 VanDerWaalsContact O-CG 3.24Å; R543-M547 WeakPolarHBondContact O-CG 3.46Å; R543-M547 PolarHBondContact O-N 3.01Å; F544-M547 WeakPolarHBondContact O-CB 3.43Å; F544-M547 PolarHBondContact O-N 3.14Å; M547-F550 PolarHBondContact O-N 3.41Å; M547-H551 WeakPolarHBondContact O-CB 3.47Å; M547-H551 PolarHBondContact O-CD2 2.97Å; M547-H551 VanDerWaalsContact O-CD2 3.28Å; M547-H551 PolarHBondContact O-N 3.37Å; M547-V664 HydrophobicContact CG-CG1 4.47Å
548	A	95.1	Very high	92.4	Very high	1 Å²	1	14 Å²	14	1%	0.008	7%	0.073	C	C	.	.	H	α-helix	trans	-61.3	-50.3	178.1	0	0	0	0	0	111	F497 F544 I545 A546 G552 K553 I555 L682	F497-A548 HydrophobicContact CD1-CB 3.73Å; F497-A548 VanDerWaalsContact CE1-CA 3.4Å; F497-A548 HydrophobicContact CE1-CB 3.58Å; F544-A548 PolarHBondContact O-N 2.84Å; I545-A548 WeakPolarHBondContact O-CB 3.34Å; I545-A548 PolarHBondContact O-N 2.68Å; A546-A548 VanDerWaalsContact C-N 3.33Å; A546-A548 PolarHBondContact O-N 3.08Å; A548-G552 PolarHBondContact O-N 2.81Å; A548-G552 VanDerWaalsContact O-N 3.09Å; A548-K553 CarbonylContact C-O 3.36Å; A548-K553 WeakPolarHBondContact CB-O 3.36Å; A548-K553 PolarHBondContact O-N 3.43Å; A548-I555 HydrophobicContact CB-CG2 3.98Å; A548-L682 HydrophobicContact CB-CD1 4.19Å
549	L	94.4	Very high	92	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.2	-51.2	175	-68.7	172.6	0	0	0	111.8	F435 R436 I545 A546 G552 F661 F665 L670 L681 L682	F435-L549 HydrophobicContact CE1-CB 4.38Å; F435-L549 HydrophobicContact CZ-CB 4.19Å; R436-L549 PolarHBondContact NH1-O 3.15Å; R436-L549 PolarHBondContact NH2-O 2.69Å; I545-L549 PolarHBondContact O-N 2.98Å; I545-L549 VanDerWaalsContact O-N 3.08Å; A546-L549 PolarHBondContact O-N 2.91Å; L549-G552 PolarHBondContact O-N 2.79Å; L549-F661 HydrophobicContact CD1-CE2 3.69Å; L549-F661 HydrophobicContact CD1-CZ 3.58Å; L549-F665 HydrophobicContact CB-CE1 4.08Å; L549-F665 HydrophobicContact CB-CZ 4.11Å; L549-F665 HydrophobicContact CD1-CZ 4.06Å; L549-L670 HydrophobicContact CD1-CD1 4.23Å; L549-L681 HydrophobicContact CD2-CB 4.28Å; L549-L681 HydrophobicContact CD2-CD2 3.92Å; L549-L681 HydrophobicContact CD2-CG 3.72Å; L549-L682 HydrophobicContact CD2-CB 4Å; L549-L682 HydrophobicContact CD2-CD1 3.81Å; L549-L682 HydrophobicContact CD2-CG 4.47Å; L549-L682 HydrophobicContact CG-CD1 3.84Å
550	F	94.7	Very high	91.4	Very high	9 Å²	9	13.8 Å²	13.8	4%	0.039	7%	0.07	C	C	.	.	H	α-helix	trans	-60.5	-49.3	-175.8	-169.5	-80.6	0	0	0	112	R436 C439 R474 A546 M547 G552 F665 W669	R436-F550 PolarHBondContact NH1-O 2.84Å; C439-F550 HydrophobicContact CB-CD1 4.44Å; C439-F550 HydrophobicContact CB-CD2 4.09Å; C439-F550 HydrophobicContact CB-CE1 4.39Å; C439-F550 HydrophobicContact CB-CE2 4.06Å; C439-F550 HydrophobicContact CB-CG 4.29Å; C439-F550 HydrophobicContact CB-CZ 4.2Å; C439-F550 WeakPolarHBondContact O-CZ 3.45Å; R474-F550 HydrophobicContact CB-CE1 3.84Å; R474-F550 HydrophobicContact CB-CE2 4.21Å; R474-F550 HydrophobicContact CB-CZ 3.61Å; R474-F550 HydrophobicContact CG-CD2 4.49Å; R474-F550 HydrophobicContact CG-CE1 4.36Å; R474-F550 HydrophobicContact CG-CE2 3.91Å; R474-F550 HydrophobicContact CG-CZ 3.85Å; R474-F550 WeakPolarHBondContact O-CE1 3.47Å; A546-F550 VanDerWaalsContact O-CB 3.26Å; A546-F550 WeakPolarHBondContact O-CB 3.02Å; A546-F550 PolarHBondContact O-N 2.96Å; M547-F550 PolarHBondContact O-N 3.41Å; F550-G552 VanDerWaalsContact C-N 3.32Å; F550-G552 PolarHBondContact O-N 2.69Å; F550-F665 HydrophobicContact CB-CD1 4.33Å; F550-F665 HydrophobicContact CB-CE1 4.45Å; F550-F665 HydrophobicContact CD2-CB 4.49Å; F550-F665 HydrophobicContact CD2-CD1 4.16Å; F550-W669 HydrophobicContact CD2-CZ3 4.28Å; F550-W669 HydrophobicContact CE2-CH2 4.4Å; F550-W669 AromaticContact CE2-CZ3 3.96Å; F550-W669 HydrophobicContact CE2-CZ3 3.96Å
551	H	92.6	Very high	90.8	Very high	43 Å²	43	14.9 Å²	14.9	20%	0.199	8%	0.076	C	C	.	.	H	α-helix	trans	-84.6	0.8	-177.3	-68.4	-72.7	0	0	0	114.8	L473 R475 L477 M547 K553	L473-H551 PolarHBondContact O-NE2 2.93Å; R475-H551 PolarHBondContact O-CE1 2.97Å; L477-H551 HydrophobicContact CD1-CB 4.36Å; L477-H551 VanDerWaalsContact CD1-CD2 3.48Å; L477-H551 WeakPolarHBondContact CD1-CD2 3.35Å; M547-H551 WeakPolarHBondContact O-CB 3.47Å; M547-H551 PolarHBondContact O-CD2 2.97Å; M547-H551 VanDerWaalsContact O-CD2 3.28Å; M547-H551 PolarHBondContact O-N 3.37Å; H551-K553 HydrophobicContact CB-CG 4.15Å
552	G	90.8	Very high	90.5	Very high	30 Å²	30	15 Å²	15	31%	0.309	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	51.3	178.4	0	0	0	0	0	112.2	A548 L549 F550	A548-G552 PolarHBondContact O-N 2.81Å; A548-G552 VanDerWaalsContact O-N 3.09Å; L549-G552 PolarHBondContact O-N 2.79Å; F550-G552 VanDerWaalsContact C-N 3.32Å; F550-G552 PolarHBondContact O-N 2.69Å
553	K	91	Very high	90.3	Very high	47 Å²	47	15.7 Å²	15.7	20%	0.204	8%	0.08	C	C	.	.			trans	-122.9	133	179.3	-54.5	-64.1	171.3	-176.6	0	108.6	R494 F497 A548 H551	R494-K553 HydrophobicContact CG-CD 4.07Å; F497-K553 HydrophobicContact CB-CB 4.12Å; F497-K553 HydrophobicContact CD1-CB 4.21Å; F497-K553 HydrophobicContact CD2-CB 3.41Å; F497-K553 VanDerWaalsContact CD2-CB 3.41Å; F497-K553 HydrophobicContact CD2-CD 4.43Å; F497-K553 HydrophobicContact CD2-CG 3.51Å; F497-K553 HydrophobicContact CE2-CB 3.8Å; F497-K553 HydrophobicContact CE2-CG 3.58Å; F497-K553 HydrophobicContact CG-CB 3.65Å; F497-K553 HydrophobicContact CG-CG 4.28Å; F497-K553 HydrophobicContact CZ-CB 4.34Å; F497-K553 HydrophobicContact CZ-CG 4.38Å; A548-K553 CarbonylContact C-O 3.36Å; A548-K553 WeakPolarHBondContact CB-O 3.36Å; A548-K553 PolarHBondContact O-N 3.43Å; H551-K553 HydrophobicContact CB-CG 4.15Å
554	F	90.3	Very high	90	Very high	30 Å²	30	14 Å²	14	13%	0.132	7%	0.073	C	C	.	.			trans	-80.8	158.1	-179.8	-55.1	-50.3	0	0	0	111.6	W319 R322 L324 L682	W319-F554 HydrophobicContact CZ2-CB 4.08Å; W319-F554 VanDerWaalsContact CZ2-O 3.29Å; W319-F554 WeakPolarHBondContact CZ2-O 3.37Å; R322-F554 HydrophobicContact CB-CD2 4.04Å; R322-F554 HydrophobicContact CB-CE2 4.36Å; R322-F554 WeakPolarHBondContact O-CE2 3.34Å; L324-F554 HydrophobicContact CB-CZ 4.34Å; L324-F554 HydrophobicContact CD1-CE1 3.71Å; L324-F554 HydrophobicContact CD1-CZ 4.11Å; L324-F554 HydrophobicContact CG-CE1 3.74Å; L324-F554 HydrophobicContact CG-CZ 3.83Å; F554-L682 CarbonylContact C-O 3.59Å; F554-L682 VanDerWaalsContact CA-O 3.27Å; F554-L682 WeakPolarHBondContact CA-O 3.38Å
555	I	89.2	Confident	89.7	Confident	3 Å²	3	15.1 Å²	15.1	2%	0.015	8%	0.078	C	C	.	.			trans	-108.9	157.2	167.5	70.3	179.6	0	0	0	110.4	R322 F544 I545 A548 S557 L682	R322-I555 PolarHBondContact NH1-O 3.2Å; F544-I555 HydrophobicContact CE1-CG2 4.27Å; F544-I555 HydrophobicContact CZ-CG2 4.4Å; I545-I555 HydrophobicContact CD1-CD1 3.68Å; I545-I555 HydrophobicContact CD1-CG2 4.24Å; A548-I555 HydrophobicContact CB-CG2 3.98Å; I555-S557 WeakPolarHBondContact CD1-O 3.26Å; I555-S557 WeakPolarHBondContact CG1-O 3.33Å; I555-L682 HydrophobicContact CD1-CD1 4.03Å; I555-L682 HydrophobicContact CD1-CD2 3.6Å; I555-L682 HydrophobicContact CD1-CG 3.54Å; I555-L682 HydrophobicContact CG1-CD1 4.38Å; I555-L682 HydrophobicContact CG1-CD2 4.46Å; I555-L682 HydrophobicContact CG1-CG 3.9Å; I555-L682 HydrophobicContact CG2-CD1 4.31Å; I555-L682 PolarHBondContact N-O 2.7Å
556	Y	80.7	Confident	89.6	Confident	43 Å²	43	16.7 Å²	16.7	17%	0.169	9%	0.085	C	C	.	.	S	Bend	trans	-65.3	-54.4	-178.8	172.1	-128.5	0	0	0	112.2	A315 R322 F498 S501 H502	A315-Y556 HydrophobicContact CB-CD2 4.05Å; A315-Y556 HydrophobicContact CB-CE1 4.34Å; A315-Y556 HydrophobicContact CB-CE2 3.39Å; R322-Y556 PolarHBondContact NH1-O 3.47Å; R322-Y556 VanDerWaalsContact NH1-O 3.11Å; R322-Y556 PolarHBondContact NH2-O 2.84Å; F498-Y556 HydrophobicContact CD2-CG 4.42Å; F498-Y556 AromaticContact CE2-CD2 3.8Å; F498-Y556 HydrophobicContact CE2-CD2 3.8Å; F498-Y556 AromaticContact CE2-CG 3.87Å; F498-Y556 HydrophobicContact CE2-CG 3.87Å; S501-Y556 WeakPolarHBondContact OG-CB 3.45Å; S501-Y556 PolarHBondContact OG-N 3.37Å; H502-Y556 HydrophobicContact CB-CD1 4.38Å; H502-Y556 AromaticContact CE1-CE1 3.93Å; H502-Y556 AromaticContact ND1-CD1 3.36Å; H502-Y556 WeakPolarHBondContact ND1-CD1 3.29Å; H502-Y556 AromaticContact ND1-CE1 3.38Å; H502-Y556 WeakPolarHBondContact ND1-CE1 3.43Å
557	S	75.7	Confident	89.3	Confident	11 Å²	11	17 Å²	17	8%	0.077	9%	0.086	C	C	.	.	S	Bend	trans	-117.5	137.7	-177.9	-169.5	0	0	0	0	112.2	L522 I555 R736	L522-S557 WeakPolarHBondContact CD1-OG 3.47Å; I555-S557 WeakPolarHBondContact CD1-O 3.26Å; I555-S557 WeakPolarHBondContact CG1-O 3.33Å; S557-R736 PolarHBondContact OG-NH1 3.04Å
558	G	79.5	Confident	89.1	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.093	C	C	.	.			trans	-92	168.6	173.7	0	0	0	0	0	113.3	Y564 C683	G558-Y564 VanDerWaalsContact CA-OH 3.29Å; G558-Y564 WeakPolarHBondContact CA-OH 3.22Å; G558-C683 WeakPolarHBondContact CA-SG 3.28Å; G558-C683 PolarHBondContact N-SG 3.3Å
559	F	86.9	Confident	88.8	Confident	12 Å²	12	26.5 Å²	26.5	5%	0.053	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-82.6	175.2	172	-53.4	-75.9	0	0	0	111.7	F512 I545 F563 Y564 F657 L682	F512-F559 HydrophobicContact CE1-CD1 4.45Å; F512-F559 AromaticContact CE1-CE1 3.88Å; F512-F559 HydrophobicContact CE1-CE1 3.88Å; F512-F559 AromaticContact CZ-CE1 3.98Å; F512-F559 HydrophobicContact CZ-CE1 3.98Å; I545-F559 HydrophobicContact CD1-CE2 3.9Å; I545-F559 HydrophobicContact CD1-CZ 3.98Å; I545-F559 HydrophobicContact CG1-CE2 4.05Å; I545-F559 HydrophobicContact CG1-CZ 4.03Å; I545-F559 HydrophobicContact CG2-CE2 4.43Å; F559-F563 HydrophobicContact CB-CB 3.85Å; F559-F563 HydrophobicContact CB-CD1 3.44Å; F559-F563 VanDerWaalsContact CB-CD1 3.44Å; F559-F563 HydrophobicContact CB-CE1 4.21Å; F559-F563 HydrophobicContact CB-CG 3.82Å; F559-F563 HydrophobicContact CD1-CD1 4.09Å; F559-F563 HydrophobicContact CD1-CE1 4.06Å; F559-F563 HydrophobicContact CD1-CZ 4.49Å; F559-F563 AromaticContact CD2-CD1 3.71Å; F559-F563 HydrophobicContact CD2-CD1 3.71Å; F559-F563 AromaticContact CD2-CE1 3.66Å; F559-F563 HydrophobicContact CD2-CE1 3.66Å; F559-F563 HydrophobicContact CE1-CE1 4.38Å; F559-F563 HydrophobicContact CE2-CD1 4.5Å; F559-F563 HydrophobicContact CE2-CE1 4.01Å; F559-F563 AromaticContact CG-CD1 3.46Å; F559-F563 HydrophobicContact CG-CD1 3.46Å; F559-F563 VanDerWaalsContact CG-CD1 3.46Å; F559-F563 AromaticContact CG-CE1 3.7Å; F559-F563 HydrophobicContact CG-CE1 3.7Å; F559-F563 HydrophobicContact CG-CG 4.14Å; F559-F563 HydrophobicContact CZ-CE1 4.36Å; F559-Y564 HydrophobicContact CB-CE1 4.21Å; F559-Y564 HydrophobicContact CB-CE2 4.44Å; F559-Y564 AromaticContact CD2-CE1 3.83Å; F559-Y564 HydrophobicContact CD2-CE1 3.83Å; F559-Y564 PolarHBondContact N-OH 2.92Å; F559-Y564 WeakPolarHBondContact O-CE2 3.39Å; F559-F657 HydrophobicContact CE2-CE2 4.35Å; F559-F657 HydrophobicContact CE2-CZ 4.21Å; F559-F657 AromaticContact CZ-CE2 3.91Å; F559-F657 HydrophobicContact CZ-CE2 3.91Å; F559-F657 HydrophobicContact CZ-CZ 4.24Å; F559-L682 HydrophobicContact CD2-CD2 4.37Å; F559-L682 HydrophobicContact CE2-CD2 4.28Å
560	T	85.5	Confident	88.6	Confident	15 Å²	15	29 Å²	29	9%	0.092	14%	0.135	C	C	.	.			trans	-69.5	153.2	171.7	47.4	0	0	0	0	112.5	A515 L522 F563 Y564 V580	A515-T560 HydrophobicContact CB-CG2 4.27Å; L522-T560 PolarHBondContact O-N 3.11Å; T560-F563 WeakPolarHBondContact O-CA 3.2Å; T560-F563 VanDerWaalsContact O-CB 3.29Å; T560-F563 WeakPolarHBondContact O-CB 3.44Å; T560-F563 PolarHBondContact O-N 3.22Å; T560-Y564 PolarHBondContact O-N 3.16Å; T560-V580 HydrophobicContact CG2-CG2 4.37Å
561	M	86	Confident	88.4	Confident	23 Å²	23	35.8 Å²	35.8	11%	0.113	16%	0.164	C	C	.	.	H	α-helix	trans	-53.1	-45.7	174.7	-68.5	-67.3	167	0	0	113.8	F563 Y564 K565 E675 R676 E679 G733	M561-F563 PolarHBondContact O-N 3.25Å; M561-Y564 PolarHBondContact O-N 3.2Å; M561-Y564 VanDerWaalsContact O-N 3.16Å; M561-Y564 HydrophobicContact SD-CD2 4.4Å; M561-K565 PolarHBondContact O-N 3.26Å; M561-E675 HydrophobicContact SD-CG 4.22Å; M561-R676 HydrophobicContact CE-CG 4Å; M561-R676 HydrophobicContact SD-CG 3.94Å; M561-E679 HydrophobicContact CE-CB 4.33Å; M561-E679 VanDerWaalsContact CE-OE2 3.23Å; M561-E679 WeakPolarHBondContact CE-OE2 3.44Å; M561-G733 VanDerWaalsContact CE-O 3.23Å; M561-G733 WeakPolarHBondContact CE-O 3.38Å
562	P	89.3	Confident	88.3	Confident	4 Å²	4	34.8 Å²	34.8	3%	0.026	16%	0.161	C	C	.	.	H	α-helix	trans	-54.5	-32.4	170.2	10.9	-26.3	0	0	0	114.9	K565 K566 L572 D576 V580 L646	P562-K565 PolarHBondContact O-N 3.37Å; P562-K566 WeakPolarHBondContact O-CG 3.36Å; P562-K566 PolarHBondContact O-N 3.46Å; P562-L572 HydrophobicContact CB-CD2 4.03Å; P562-D576 HydrophobicContact CB-CB 4.12Å; P562-D576 HydrophobicContact CG-CB 4.26Å; P562-V580 HydrophobicContact CG-CG2 3.82Å; P562-L646 HydrophobicContact CB-CD2 4.42Å
563	F	91.2	Very high	88.4	Confident	16 Å²	16	35.8 Å²	35.8	7%	0.07	16%	0.161	C	C	.	.	H	α-helix	trans	-68.7	-42.3	176.5	-173.7	-92.7	0	0	0	112.1	I524 F559 T560 M561 K565 K566 M567 F657 F658	I524-F563 HydrophobicContact CD1-CE2 4.05Å; F559-F563 HydrophobicContact CB-CB 3.85Å; F559-F563 HydrophobicContact CB-CD1 3.44Å; F559-F563 VanDerWaalsContact CB-CD1 3.44Å; F559-F563 HydrophobicContact CB-CE1 4.21Å; F559-F563 HydrophobicContact CB-CG 3.82Å; F559-F563 HydrophobicContact CD1-CD1 4.09Å; F559-F563 HydrophobicContact CD1-CE1 4.06Å; F559-F563 HydrophobicContact CD1-CZ 4.49Å; F559-F563 AromaticContact CD2-CD1 3.71Å; F559-F563 HydrophobicContact CD2-CD1 3.71Å; F559-F563 AromaticContact CD2-CE1 3.66Å; F559-F563 HydrophobicContact CD2-CE1 3.66Å; F559-F563 HydrophobicContact CE1-CE1 4.38Å; F559-F563 HydrophobicContact CE2-CD1 4.5Å; F559-F563 HydrophobicContact CE2-CE1 4.01Å; F559-F563 AromaticContact CG-CD1 3.46Å; F559-F563 HydrophobicContact CG-CD1 3.46Å; F559-F563 VanDerWaalsContact CG-CD1 3.46Å; F559-F563 AromaticContact CG-CE1 3.7Å; F559-F563 HydrophobicContact CG-CE1 3.7Å; F559-F563 HydrophobicContact CG-CG 4.14Å; F559-F563 HydrophobicContact CZ-CE1 4.36Å; T560-F563 WeakPolarHBondContact O-CA 3.2Å; T560-F563 VanDerWaalsContact O-CB 3.29Å; T560-F563 WeakPolarHBondContact O-CB 3.44Å; T560-F563 PolarHBondContact O-N 3.22Å; M561-F563 PolarHBondContact O-N 3.25Å; F563-K565 VanDerWaalsContact C-N 3.35Å; F563-K566 WeakPolarHBondContact O-CB 3.38Å; F563-K566 PolarHBondContact O-N 3.36Å; F563-M567 PolarHBondContact O-N 2.84Å; F563-F657 HydrophobicContact CE1-CD1 4.38Å; F563-F657 AromaticContact CE1-CE1 3.79Å; F563-F657 HydrophobicContact CE1-CE1 3.79Å; F563-F657 HydrophobicContact CE1-CE2 4.29Å; F563-F657 AromaticContact CE1-CZ 3.73Å; F563-F657 HydrophobicContact CE1-CZ 3.73Å; F563-F657 AromaticContact CZ-CD1 3.73Å; F563-F657 HydrophobicContact CZ-CD1 3.73Å; F563-F657 HydrophobicContact CZ-CD2 4.12Å; F563-F657 AromaticContact CZ-CE1 3.59Å; F563-F657 HydrophobicContact CZ-CE1 3.59Å; F563-F657 AromaticContact CZ-CE2 3.94Å; F563-F657 HydrophobicContact CZ-CE2 3.94Å; F563-F657 HydrophobicContact CZ-CG 4.02Å; F563-F657 AromaticContact CZ-CZ 3.7Å; F563-F657 HydrophobicContact CZ-CZ 3.7Å; F563-F658 HydrophobicContact CZ-CZ 4.46Å
564	Y	91.5	Very high	88.4	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.3	-35.7	173.8	-61.5	-52.5	0	0	0	112.2	G558 F559 T560 M561 M567 L568 I678 E679 L682	G558-Y564 VanDerWaalsContact CA-OH 3.29Å; G558-Y564 WeakPolarHBondContact CA-OH 3.22Å; F559-Y564 HydrophobicContact CB-CE1 4.21Å; F559-Y564 HydrophobicContact CB-CE2 4.44Å; F559-Y564 AromaticContact CD2-CE1 3.83Å; F559-Y564 HydrophobicContact CD2-CE1 3.83Å; F559-Y564 PolarHBondContact N-OH 2.92Å; F559-Y564 WeakPolarHBondContact O-CE2 3.39Å; T560-Y564 PolarHBondContact O-N 3.16Å; M561-Y564 PolarHBondContact O-N 3.2Å; M561-Y564 VanDerWaalsContact O-N 3.16Å; M561-Y564 HydrophobicContact SD-CD2 4.4Å; Y564-M567 HydrophobicContact CD1-CE 4.29Å; Y564-M567 WeakPolarHBondContact O-CB 3.16Å; Y564-M567 PolarHBondContact O-N 3.03Å; Y564-L568 PolarHBondContact O-N 2.74Å; Y564-I678 HydrophobicContact CD1-CG2 3.46Å; Y564-I678 VanDerWaalsContact CD1-CG2 3.46Å; Y564-I678 HydrophobicContact CE1-CG2 3.86Å; Y564-I678 HydrophobicContact CG-CG2 4.05Å; Y564-E679 HydrophobicContact CD2-CB 4.24Å; Y564-E679 HydrophobicContact CE2-CB 3.65Å; Y564-E679 HydrophobicContact CE2-CG 3.82Å; Y564-L682 HydrophobicContact CE1-CD2 3.9Å
565	K	92	Very high	88.3	Confident	25 Å²	25	36.3 Å²	36.3	11%	0.109	18%	0.177	C	C	.	.	H	α-helix	trans	-60.4	-44.4	170.2	-77.6	-177.8	171.7	175.5	0	112.6	M561 P562 F563 M567 L568 R569 K570 L572 D576 E675	M561-K565 PolarHBondContact O-N 3.26Å; P562-K565 PolarHBondContact O-N 3.37Å; F563-K565 VanDerWaalsContact C-N 3.35Å; K565-M567 VanDerWaalsContact C-N 3.29Å; K565-M567 PolarHBondContact O-N 3.03Å; K565-L568 CarbonylContact O-C 3.59Å; K565-L568 PolarHBondContact O-N 2.82Å; K565-R569 PolarHBondContact O-N 2.8Å; K565-R569 VanDerWaalsContact O-N 3.1Å; K565-K570 HydrophobicContact CB-CB 4.15Å; K565-K570 HydrophobicContact CG-CB 4.29Å; K565-K570 HydrophobicContact CG-CD 4.49Å; K565-K570 PolarHBondContact O-N 3.08Å; K565-L572 HydrophobicContact CB-CD2 3.71Å; K565-L572 HydrophobicContact CD-CD2 4.31Å; K565-D576 WeakPolarHBondContact CD-OD1 3.49Å; K565-D576 WeakPolarHBondContact CE-OD1 3.27Å; K565-D576 IonicContact NZ-OD1 3.26Å; K565-D576 PolarHBondContact NZ-OD1 2.93Å; K565-D576 IonicContact NZ-OD2 2.67Å; K565-D576 PolarHBondContact NZ-OD2 3Å; K565-E675 WeakPolarHBondContact CE-OE1 3.06Å; K565-E675 HydrophobicContact CG-CB 4.08Å; K565-E675 HydrophobicContact CG-CG 3.95Å; K565-E675 IonicContact NZ-OE1 3.58Å
566	K	91.7	Very high	88.2	Confident	38 Å²	38	36.8 Å²	36.8	17%	0.165	18%	0.179	C	C	.	.	H	α-helix	trans	-57.5	-42.3	172.1	-69.7	-169.4	-166.7	-167.8	0	111.6	P562 F563 L568 R569 L572 L646 N647 T654 F658	P562-K566 WeakPolarHBondContact O-CG 3.36Å; P562-K566 PolarHBondContact O-N 3.46Å; F563-K566 WeakPolarHBondContact O-CB 3.38Å; F563-K566 PolarHBondContact O-N 3.36Å; K566-L568 VanDerWaalsContact C-N 3.3Å; K566-L568 PolarHBondContact O-N 2.71Å; K566-R569 PolarHBondContact O-N 2.93Å; K566-L572 HydrophobicContact CG-CD1 4.05Å; K566-L572 HydrophobicContact CG-CD2 4.31Å; K566-L646 WeakPolarHBondContact CE-O 3.37Å; K566-L646 PolarHBondContact NZ-O 2.98Å; K566-N647 VanDerWaalsContact CE-OD1 3.25Å; K566-N647 WeakPolarHBondContact CE-OD1 3.4Å; K566-N647 PolarHBondContact NZ-OD1 3.36Å; K566-T654 HydrophobicContact CD-CG2 4.27Å; K566-F658 HydrophobicContact CB-CE2 4.15Å; K566-F658 HydrophobicContact CB-CZ 4.16Å
567	M	91.4	Very high	88.6	Confident	6 Å²	6	34.7 Å²	34.7	3%	0.03	17%	0.171	C	C	.	.	H	α-helix	trans	-63.2	-35.3	178.6	-166.3	163.3	75.3	0	0	112.8	F563 Y564 K565 R569 F658 F661 L667 L670 I678	F563-M567 PolarHBondContact O-N 2.84Å; Y564-M567 HydrophobicContact CD1-CE 4.29Å; Y564-M567 WeakPolarHBondContact O-CB 3.16Å; Y564-M567 PolarHBondContact O-N 3.03Å; K565-M567 VanDerWaalsContact C-N 3.29Å; K565-M567 PolarHBondContact O-N 3.03Å; M567-R569 VanDerWaalsContact C-N 3.29Å; M567-F658 HydrophobicContact CB-CE1 3.55Å; M567-F658 HydrophobicContact CB-CZ 3.79Å; M567-F658 HydrophobicContact CG-CD1 4.21Å; M567-F658 HydrophobicContact CG-CE1 3.51Å; M567-F658 HydrophobicContact CG-CZ 4.26Å; M567-F658 HydrophobicContact SD-CE1 4.04Å; M567-F661 HydrophobicContact CE-CE2 4.36Å; M567-F661 HydrophobicContact CE-CZ 4.46Å; M567-F661 HydrophobicContact SD-CD2 4.08Å; M567-F661 HydrophobicContact SD-CE2 3.58Å; M567-F661 VanDerWaalsContact SD-CE2 3.58Å; M567-F661 HydrophobicContact SD-CZ 3.92Å; M567-L667 HydrophobicContact CG-CD2 3.45Å; M567-L667 VanDerWaalsContact CG-CD2 3.45Å; M567-L667 HydrophobicContact SD-CD2 4.29Å; M567-L670 HydrophobicContact CE-CD1 3.92Å; M567-I678 HydrophobicContact CE-CD1 3.94Å; M567-I678 HydrophobicContact CE-CG2 3.48Å; M567-I678 VanDerWaalsContact CE-CG2 3.48Å
568	L	90.9	Very high	89.1	Confident	29 Å²	29	34.8 Å²	34.8	15%	0.152	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	3	172.5	-74.8	172	0	0	0	114.3	Y564 K565 K566 K570 L670 F673 E675 I678	Y564-L568 PolarHBondContact O-N 2.74Å; K565-L568 CarbonylContact O-C 3.59Å; K565-L568 PolarHBondContact O-N 2.82Å; K566-L568 VanDerWaalsContact C-N 3.3Å; K566-L568 PolarHBondContact O-N 2.71Å; L568-K570 HydrophobicContact CB-CD 4.2Å; L568-K570 HydrophobicContact CB-CG 3.92Å; L568-K570 HydrophobicContact CD1-CD 4.26Å; L568-K570 PolarHBondContact O-N 2.91Å; L568-L670 HydrophobicContact CD2-CB 4.29Å; L568-L670 WeakPolarHBondContact CD2-O 3.13Å; L568-F673 VanDerWaalsContact CD1-O 3.28Å; L568-F673 WeakPolarHBondContact CD1-O 3.43Å; L568-E675 HydrophobicContact CD1-CB 4.45Å; L568-I678 HydrophobicContact CD1-CD1 3.67Å; L568-I678 HydrophobicContact CD2-CD1 3.7Å; L568-I678 HydrophobicContact CG-CD1 3.54Å
569	R	90.2	Very high	89	Confident	172 Å²	172	36.1 Å²	36.1	65%	0.649	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	25.2	-172.6	-51.6	-178.4	-174.1	133.4	8	113.8	K565 K566 M567 E668	K565-R569 PolarHBondContact O-N 2.8Å; K565-R569 VanDerWaalsContact O-N 3.1Å; K566-R569 PolarHBondContact O-N 2.93Å; M567-R569 VanDerWaalsContact C-N 3.29Å; R569-E668 IonicContact CZ-OE1 3.65Å; R569-E668 IonicContact NH1-OE1 2.74Å; R569-E668 PolarHBondContact NH1-OE1 2.91Å; R569-E668 IonicContact NH2-OE1 3.4Å; R569-E668 PolarHBondContact NH2-OE1 2.81Å
570	K	90.2	Very high	88.8	Confident	53 Å²	53	36.1 Å²	36.1	23%	0.23	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-76.9	146.1	176.9	-69.9	-176.8	-179.6	-174.9	0	111.1	K565 L568 L572 E675 E798	K565-K570 HydrophobicContact CB-CB 4.15Å; K565-K570 HydrophobicContact CG-CB 4.29Å; K565-K570 HydrophobicContact CG-CD 4.49Å; K565-K570 PolarHBondContact O-N 3.08Å; L568-K570 HydrophobicContact CB-CD 4.2Å; L568-K570 HydrophobicContact CB-CG 3.92Å; L568-K570 HydrophobicContact CD1-CD 4.26Å; L568-K570 PolarHBondContact O-N 2.91Å; K570-L572 PolarHBondContact O-N 3.07Å; K570-E675 WeakPolarHBondContact CD-OE2 3.21Å; K570-E675 IonicContact NZ-OE2 3.5Å; K570-E675 PolarHBondContact NZ-OE2 2.75Å; K570-E798 WeakPolarHBondContact CE-OE2 3.17Å; K570-E798 IonicContact NZ-OE1 2.66Å; K570-E798 PolarHBondContact NZ-OE1 3.46Å; K570-E798 IonicContact NZ-OE2 2.69Å; K570-E798 PolarHBondContact NZ-OE2 3Å
571	K	90.1	Very high	88.7	Confident	151 Å²	151	37 Å²	37	66%	0.657	19%	0.185	S	C	*	.	P	Polyproline II helix	trans	-61.9	133.1	173.9	-178.1	174.8	177.9	-177.4	0	110.4	N639	K571-N639 WeakPolarHBondContact CE-OD1 3.46Å; K571-N639 PolarHBondContact NZ-OD1 3.31Å
572	L	91.1	Very high	88.6	Confident	23 Å²	23	36.9 Å²	36.9	12%	0.12	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-81.3	143.5	172.8	-56.2	176.6	0	0	0	110.4	P562 K565 K566 K570 L646	P562-L572 HydrophobicContact CB-CD2 4.03Å; K565-L572 HydrophobicContact CB-CD2 3.71Å; K565-L572 HydrophobicContact CD-CD2 4.31Å; K566-L572 HydrophobicContact CG-CD1 4.05Å; K566-L572 HydrophobicContact CG-CD2 4.31Å; K570-L572 PolarHBondContact O-N 3.07Å; L572-L646 HydrophobicContact CB-CD1 3.81Å; L572-L646 HydrophobicContact CD1-CB 3.84Å; L572-L646 HydrophobicContact CD1-CD1 3.9Å; L572-L646 HydrophobicContact CG-CD1 4.35Å
573	T	91.4	Very high	88.4	Confident	51 Å²	51	44 Å²	44	31%	0.313	22%	0.219	S	C	.	.			trans	-123.3	162.6	-173.4	69.2	0	0	0	0	111.7	A575 D576	T573-A575 PolarHBondContact O-N 3.22Å; T573-D576 WeakPolarHBondContact CB-OD2 3.48Å; T573-D576 PolarHBondContact N-OD2 2.98Å; T573-D576 WeakPolarHBondContact O-CB 3.49Å; T573-D576 PolarHBondContact O-N 3Å; T573-D576 PolarHBondContact OG1-OD2 2.92Å
574	V	91.5	Very high	88.4	Confident	25 Å²	25	44.9 Å²	44.9	15%	0.152	22%	0.222	C	C	.	.	H	α-helix	trans	-54.8	-38	177.3	-172	0	0	0	0	111.2	D576 I577 Y585 L588 I638	V574-D576 VanDerWaalsContact C-N 3.28Å; V574-D576 PolarHBondContact O-N 3.45Å; V574-I577 HydrophobicContact CG1-CD1 4.43Å; V574-I577 VanDerWaalsContact O-CB 3.25Å; V574-I577 WeakPolarHBondContact O-CB 3.4Å; V574-I577 WeakPolarHBondContact O-CG1 3.41Å; V574-I577 PolarHBondContact O-N 2.98Å; V574-I577 VanDerWaalsContact O-N 3.11Å; V574-Y585 HydrophobicContact CG1-CD2 3.94Å; V574-Y585 HydrophobicContact CG1-CE2 4.07Å; V574-Y585 VanDerWaalsContact O-CD2 3.22Å; V574-Y585 WeakPolarHBondContact O-CD2 3.08Å; V574-L588 HydrophobicContact CG1-CB 4.12Å; V574-I638 HydrophobicContact CG2-CG2 3.48Å; V574-I638 VanDerWaalsContact CG2-CG2 3.48Å
575	A	88	Confident	88.3	Confident	63 Å²	63	46.9 Å²	46.9	52%	0.521	23%	0.23	S	C	.	.	H	α-helix	trans	-63.4	-29.2	178.1	0	0	0	0	0	113.7	T573 I577 E578	T573-A575 PolarHBondContact O-N 3.22Å; A575-I577 PolarHBondContact O-N 2.89Å; A575-E578 WeakPolarHBondContact O-CB 3.41Å; A575-E578 PolarHBondContact O-N 3.45Å
576	D	88.4	Confident	88.3	Confident	12 Å²	12	50.1 Å²	50.1	6%	0.064	25%	0.249	C	C	.	.	H	α-helix	trans	-66.3	-28	176.3	-64.2	-64.7	0	0	0	111.9	P562 K565 T573 V574 E578 S579 L646	P562-D576 HydrophobicContact CB-CB 4.12Å; P562-D576 HydrophobicContact CG-CB 4.26Å; K565-D576 WeakPolarHBondContact CD-OD1 3.49Å; K565-D576 WeakPolarHBondContact CE-OD1 3.27Å; K565-D576 IonicContact NZ-OD1 3.26Å; K565-D576 PolarHBondContact NZ-OD1 2.93Å; K565-D576 IonicContact NZ-OD2 2.67Å; K565-D576 PolarHBondContact NZ-OD2 3Å; T573-D576 WeakPolarHBondContact CB-OD2 3.48Å; T573-D576 PolarHBondContact N-OD2 2.98Å; T573-D576 WeakPolarHBondContact O-CB 3.49Å; T573-D576 PolarHBondContact O-N 3Å; T573-D576 PolarHBondContact OG1-OD2 2.92Å; V574-D576 VanDerWaalsContact C-N 3.28Å; V574-D576 PolarHBondContact O-N 3.45Å; D576-E578 VanDerWaalsContact C-N 3.32Å; D576-E578 PolarHBondContact O-N 3.22Å; D576-S579 PolarHBondContact O-OG 3.41Å; D576-L646 HydrophobicContact CB-CD1 4.32Å
577	I	88.6	Confident	88.3	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.4	-33.7	175.2	-48.8	173.3	0	0	0	111.1	V574 A575 S579 V580 D581 F584 L588 T642 R645 L646	V574-I577 HydrophobicContact CG1-CD1 4.43Å; V574-I577 VanDerWaalsContact O-CB 3.25Å; V574-I577 WeakPolarHBondContact O-CB 3.4Å; V574-I577 WeakPolarHBondContact O-CG1 3.41Å; V574-I577 PolarHBondContact O-N 2.98Å; V574-I577 VanDerWaalsContact O-N 3.11Å; A575-I577 PolarHBondContact O-N 2.89Å; I577-S579 PolarHBondContact O-N 3.44Å; I577-S579 VanDerWaalsContact O-N 3.14Å; I577-V580 PolarHBondContact O-N 2.95Å; I577-D581 HydrophobicContact CG2-CB 4.11Å; I577-D581 CarbonylContact O-C 3.57Å; I577-D581 PolarHBondContact O-N 3.28Å; I577-F584 HydrophobicContact CD1-CD1 4.28Å; I577-F584 HydrophobicContact CD1-CE1 4.47Å; I577-F584 HydrophobicContact CG2-CB 4.39Å; I577-F584 HydrophobicContact CG2-CD1 4.07Å; I577-L588 HydrophobicContact CD1-CD1 3.61Å; I577-T642 HydrophobicContact CD1-CG2 3.97Å; I577-T642 HydrophobicContact CG1-CG2 4.21Å; I577-R645 HydrophobicContact CG2-CG 4.43Å; I577-L646 HydrophobicContact CG1-CD1 4.1Å; I577-L646 HydrophobicContact CG1-CG 4.32Å
578	E	85.6	Confident	88.4	Confident	13 Å²	13	51.1 Å²	51.1	6%	0.061	26%	0.261	C	S	.	.	H	α-helix	trans	-50.8	-46.7	-177.6	-170.2	-169.5	-113.3	0	0	110.1	A575 D576 V580 P582 Y585 H769 T770 C771	A575-E578 WeakPolarHBondContact O-CB 3.41Å; A575-E578 PolarHBondContact O-N 3.45Å; D576-E578 VanDerWaalsContact C-N 3.32Å; D576-E578 PolarHBondContact O-N 3.22Å; E578-V580 PolarHBondContact O-N 2.87Å; E578-P582 WeakPolarHBondContact O-CG 3.24Å; E578-Y585 HydrophobicContact CB-CD1 3.69Å; E578-Y585 HydrophobicContact CB-CD2 4.07Å; E578-Y585 HydrophobicContact CB-CE1 3.87Å; E578-Y585 HydrophobicContact CB-CE2 4.26Å; E578-Y585 HydrophobicContact CB-CG 3.77Å; E578-Y585 HydrophobicContact CG-CD1 3.61Å; E578-Y585 HydrophobicContact CG-CE1 3.71Å; E578-Y585 HydrophobicContact CG-CG 4.2Å; E578-Y585 WeakPolarHBondContact OE1-CE1 3.31Å; E578-H769 IonicContact OE1-CE1 3.65Å; E578-H769 IonicContact OE1-CG 2.67Å; E578-H769 IonicContact OE1-ND1 3.76Å; E578-H769 PolarHBondContact OE1-ND1 2.77Å; E578-H769 WeakPolarHBondContact OE2-CA 3.4Å; E578-T770 PolarHBondContact OE2-N 3.35Å; E578-T770 PolarHBondContact OE2-OG1 2.71Å; E578-C771 HydrophobicContact CG-CB 4.45Å; E578-C771 PolarHBondContact O-SG 3.4Å
579	S	77.8	Confident	88.5	Confident	27 Å²	27	51.8 Å²	51.8	19%	0.189	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-16.9	-179.1	73.8	0	0	0	0	115.8	D576 I577	D576-S579 PolarHBondContact O-OG 3.41Å; I577-S579 PolarHBondContact O-N 3.44Å; I577-S579 VanDerWaalsContact O-N 3.14Å
580	V	81.7	Confident	88.6	Confident	12 Å²	12	48.5 Å²	48.5	7%	0.073	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-44.4	-173.7	174.4	0	0	0	0	111.6	T560 P562 I577 E578 L646	T560-V580 HydrophobicContact CG2-CG2 4.37Å; P562-V580 HydrophobicContact CG-CG2 3.82Å; I577-V580 PolarHBondContact O-N 2.95Å; E578-V580 PolarHBondContact O-N 2.87Å; V580-L646 HydrophobicContact CB-CD2 4.41Å; V580-L646 HydrophobicContact CG1-CD2 4.46Å; V580-L646 HydrophobicContact CG2-CD2 4.18Å
581	D	83.9	Confident	88.8	Confident	34 Å²	34	46.9 Å²	46.9	18%	0.182	25%	0.25	C	S	.	.			trans	-148.4	84.8	-173.1	-166.2	-31.5	0	0	0	110.2	I577 E583 F584 Y585 R645	I577-D581 HydrophobicContact CG2-CB 4.11Å; I577-D581 CarbonylContact O-C 3.57Å; I577-D581 PolarHBondContact O-N 3.28Å; D581-E583 PolarHBondContact O-N 3.23Å; D581-E583 PolarHBondContact OD1-N 2.81Å; D581-F584 HydrophobicContact CB-CB 3.96Å; D581-F584 PolarHBondContact O-N 3.22Å; D581-F584 WeakPolarHBondContact OD1-CB 3.37Å; D581-F584 PolarHBondContact OD1-N 3.23Å; D581-Y585 WeakPolarHBondContact O-CB 3.3Å; D581-Y585 PolarHBondContact O-N 3.17Å; D581-R645 IonicContact OD2-CZ 3.54Å; D581-R645 IonicContact OD2-NE 3.83Å; D581-R645 PolarHBondContact OD2-NE 2.88Å; D581-R645 IonicContact OD2-NH2 2.64Å; D581-R645 PolarHBondContact OD2-NH2 3.49Å
582	P	83.8	Confident	88.9	Confident	21 Å²	21	43.2 Å²	43.2	14%	0.136	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-28.7	-177.9	-21.4	30.4	0	0	0	113.3	E578 N586 C771	E578-P582 WeakPolarHBondContact O-CG 3.24Å; P582-N586 WeakPolarHBondContact O-CB 3.48Å; P582-N586 PolarHBondContact O-N 3.03Å; P582-N586 PolarHBondContact O-ND2 3.25Å; P582-C771 HydrophobicContact CG-CB 4.26Å
583	E	86.1	Confident	88.9	Confident	154 Å²	154	46.1 Å²	46.1	72%	0.72	26%	0.258	S	S	*	.	H	α-helix	trans	-76.6	-40.1	-177.8	-63.7	-171.1	-166.9	0	0	111	D581 S587	D581-E583 PolarHBondContact O-N 3.23Å; D581-E583 PolarHBondContact OD1-N 2.81Å; E583-S587 WeakPolarHBondContact O-CB 3.05Å; E583-S587 PolarHBondContact O-N 3.34Å; E583-S587 VanDerWaalsContact O-N 3.09Å; E583-S587 PolarHBondContact O-OG 3.3Å
584	F	89.9	Confident	89	Confident	34 Å²	34	46.4 Å²	46.4	15%	0.149	26%	0.257	C	S	.	.	H	α-helix	trans	-67.3	-41.1	171.3	-161.6	-90	0	0	0	111.7	I577 D581 S587 L588 M641 W644 R645	I577-F584 HydrophobicContact CD1-CD1 4.28Å; I577-F584 HydrophobicContact CD1-CE1 4.47Å; I577-F584 HydrophobicContact CG2-CB 4.39Å; I577-F584 HydrophobicContact CG2-CD1 4.07Å; D581-F584 HydrophobicContact CB-CB 3.96Å; D581-F584 PolarHBondContact O-N 3.22Å; D581-F584 WeakPolarHBondContact OD1-CB 3.37Å; D581-F584 PolarHBondContact OD1-N 3.23Å; F584-S587 WeakPolarHBondContact O-CB 3.34Å; F584-S587 PolarHBondContact O-N 3.08Å; F584-S587 VanDerWaalsContact O-N 3.17Å; F584-L588 HydrophobicContact CD1-CD1 3.95Å; F584-L588 HydrophobicContact CD1-CG 4.2Å; F584-L588 HydrophobicContact CE1-CD1 3.66Å; F584-L588 HydrophobicContact CE1-CG 4.09Å; F584-L588 PolarHBondContact O-N 3.36Å; F584-M641 HydrophobicContact CE1-CB 4.3Å; F584-M641 HydrophobicContact CE2-CE 3.77Å; F584-M641 HydrophobicContact CZ-CB 4.2Å; F584-M641 HydrophobicContact CZ-CE 3.52Å; F584-M641 HydrophobicContact CZ-SD 3.88Å; F584-W644 HydrophobicContact CE2-CZ3 4.32Å; F584-W644 HydrophobicContact CZ-CE3 4.45Å; F584-W644 HydrophobicContact CZ-CZ3 4.31Å; F584-R645 HydrophobicContact CD1-CB 4.03Å; F584-R645 HydrophobicContact CD1-CG 3.68Å; F584-R645 HydrophobicContact CD2-CG 4.49Å; F584-R645 HydrophobicContact CE1-CB 3.47Å; F584-R645 VanDerWaalsContact CE1-CB 3.47Å; F584-R645 HydrophobicContact CE1-CG 3.66Å; F584-R645 HydrophobicContact CG-CG 4.09Å; F584-R645 HydrophobicContact CZ-CB 3.79Å; F584-R645 HydrophobicContact CZ-CG 4.1Å
585	Y	90.8	Very high	88.9	Confident	42 Å²	42	48.1 Å²	48.1	17%	0.165	27%	0.266	C	S	.	.	H	α-helix	trans	-58.3	-49.9	173.8	170.1	-109.6	0	0	0	112.8	V574 E578 D581 S587 L588 T589	V574-Y585 HydrophobicContact CG1-CD2 3.94Å; V574-Y585 HydrophobicContact CG1-CE2 4.07Å; V574-Y585 VanDerWaalsContact O-CD2 3.22Å; V574-Y585 WeakPolarHBondContact O-CD2 3.08Å; E578-Y585 HydrophobicContact CB-CD1 3.69Å; E578-Y585 HydrophobicContact CB-CD2 4.07Å; E578-Y585 HydrophobicContact CB-CE1 3.87Å; E578-Y585 HydrophobicContact CB-CE2 4.26Å; E578-Y585 HydrophobicContact CB-CG 3.77Å; E578-Y585 HydrophobicContact CG-CD1 3.61Å; E578-Y585 HydrophobicContact CG-CE1 3.71Å; E578-Y585 HydrophobicContact CG-CG 4.2Å; E578-Y585 WeakPolarHBondContact OE1-CE1 3.31Å; D581-Y585 WeakPolarHBondContact O-CB 3.3Å; D581-Y585 PolarHBondContact O-N 3.17Å; Y585-S587 PolarHBondContact O-N 3.15Å; Y585-L588 PolarHBondContact O-N 3.33Å; Y585-T589 WeakPolarHBondContact CE2-OG1 3.4Å; Y585-T589 WeakPolarHBondContact O-CB 3.49Å; Y585-T589 PolarHBondContact O-N 2.97Å; Y585-T589 PolarHBondContact O-OG1 2.91Å
586	N	91.3	Very high	89	Confident	93 Å²	93	45.1 Å²	45.1	50%	0.497	24%	0.241	S	C	.	.	H	α-helix	trans	-60	-35.2	176	-82.7	-69.6	0	0	0	111.5	P582 F590	P582-N586 WeakPolarHBondContact O-CB 3.48Å; P582-N586 PolarHBondContact O-N 3.03Å; P582-N586 PolarHBondContact O-ND2 3.25Å; N586-F590 WeakPolarHBondContact O-CB 3.42Å; N586-F590 PolarHBondContact O-N 3.23Å
587	S	92.2	Very high	88.8	Confident	61 Å²	61	48.4 Å²	48.4	43%	0.427	26%	0.258	S	S	.	.	H	α-helix	trans	-67	-46.9	177.8	-58	0	0	0	0	112	E583 F584 Y585 F590 I591	E583-S587 WeakPolarHBondContact O-CB 3.05Å; E583-S587 PolarHBondContact O-N 3.34Å; E583-S587 VanDerWaalsContact O-N 3.09Å; E583-S587 PolarHBondContact O-OG 3.3Å; F584-S587 WeakPolarHBondContact O-CB 3.34Å; F584-S587 PolarHBondContact O-N 3.08Å; F584-S587 VanDerWaalsContact O-N 3.17Å; Y585-S587 PolarHBondContact O-N 3.15Å; S587-F590 PolarHBondContact O-N 3.49Å; S587-I591 VanDerWaalsContact O-CG1 3.31Å; S587-I591 WeakPolarHBondContact O-CG1 3.33Å; S587-I591 PolarHBondContact O-N 2.94Å; S587-I591 VanDerWaalsContact O-N 3.12Å
588	L	93.9	Very high	88.7	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.016	29%	0.294	C	S	.	.	H	α-helix	trans	-67.7	-40.1	175.7	-69	-175.9	0	0	0	112.4	V574 I577 F584 Y585 F590 I591 Q592 Y637 I638 M641	V574-L588 HydrophobicContact CG1-CB 4.12Å; I577-L588 HydrophobicContact CD1-CD1 3.61Å; F584-L588 HydrophobicContact CD1-CD1 3.95Å; F584-L588 HydrophobicContact CD1-CG 4.2Å; F584-L588 HydrophobicContact CE1-CD1 3.66Å; F584-L588 HydrophobicContact CE1-CG 4.09Å; F584-L588 PolarHBondContact O-N 3.36Å; Y585-L588 PolarHBondContact O-N 3.33Å; L588-F590 VanDerWaalsContact C-N 3.27Å; L588-F590 PolarHBondContact O-N 2.94Å; L588-I591 PolarHBondContact O-N 3.09Å; L588-I591 VanDerWaalsContact O-N 3.17Å; L588-Q592 WeakPolarHBondContact O-CB 3.45Å; L588-Q592 PolarHBondContact O-N 2.71Å; L588-Y637 HydrophobicContact CD2-CE1 4.43Å; L588-I638 HydrophobicContact CD2-CG1 4.43Å; L588-M641 HydrophobicContact CD1-CB 4.14Å; L588-M641 HydrophobicContact CD2-CB 3.92Å; L588-M641 HydrophobicContact CD2-CG 4.4Å
589	T	92.9	Very high	88.8	Confident	44 Å²	44	57.2 Å²	57.2	27%	0.27	31%	0.31	S	S	.	.	H	α-helix	trans	-62.6	-35.8	176.4	-53.6	0	0	0	0	111.4	Y585 S593	Y585-T589 WeakPolarHBondContact CE2-OG1 3.4Å; Y585-T589 WeakPolarHBondContact O-CB 3.49Å; Y585-T589 PolarHBondContact O-N 2.97Å; Y585-T589 PolarHBondContact O-OG1 2.91Å; T589-S593 WeakPolarHBondContact O-CB 3.45Å; T589-S593 PolarHBondContact O-N 3.07Å; T589-S593 PolarHBondContact O-OG 2.93Å
590	F	92.5	Very high	89	Confident	103 Å²	103	61 Å²	61	45%	0.452	33%	0.328	S	S	.	.	H	α-helix	trans	-65.1	-46.2	172.6	-179.3	-92.8	0	0	0	111.9	N586 S587 L588 Q592 S593 N594 L599	N586-F590 WeakPolarHBondContact O-CB 3.42Å; N586-F590 PolarHBondContact O-N 3.23Å; S587-F590 PolarHBondContact O-N 3.49Å; L588-F590 VanDerWaalsContact C-N 3.27Å; L588-F590 PolarHBondContact O-N 2.94Å; F590-Q592 VanDerWaalsContact C-N 3.31Å; F590-Q592 PolarHBondContact O-N 3.31Å; F590-S593 PolarHBondContact O-N 3.43Å; F590-S593 PolarHBondContact O-OG 3.43Å; F590-N594 WeakPolarHBondContact CD2-ND2 3.31Å; F590-N594 WeakPolarHBondContact CE2-ND2 3.26Å; F590-N594 WeakPolarHBondContact O-CB 3.37Å; F590-N594 PolarHBondContact O-N 2.81Å; F590-N594 VanDerWaalsContact O-N 3.15Å; F590-N594 PolarHBondContact O-ND2 3.16Å; F590-L599 HydrophobicContact CE1-CD1 3.81Å; F590-L599 HydrophobicContact CZ-CD1 3.95Å
591	I	92.8	Very high	89.1	Confident	19 Å²	19	62.9 Å²	62.9	10%	0.097	34%	0.337	C	S	.	.	H	α-helix	trans	-61.6	-38.6	177.3	-68.7	169.9	0	0	0	111.3	S587 L588 I596 L603 Y637 I638	S587-I591 VanDerWaalsContact O-CG1 3.31Å; S587-I591 WeakPolarHBondContact O-CG1 3.33Å; S587-I591 PolarHBondContact O-N 2.94Å; S587-I591 VanDerWaalsContact O-N 3.12Å; L588-I591 PolarHBondContact O-N 3.09Å; L588-I591 VanDerWaalsContact O-N 3.17Å; I591-I596 HydrophobicContact CG2-CD1 3.58Å; I591-I596 HydrophobicContact CG2-CG1 4.3Å; I591-L603 HydrophobicContact CD1-CD1 3.89Å; I591-L603 HydrophobicContact CG1-CD1 4.32Å; I591-Y637 HydrophobicContact CD1-CE1 4.09Å; I591-I638 HydrophobicContact CG2-CD1 4.22Å; I591-I638 HydrophobicContact CG2-CG1 4.25Å
592	Q	92.4	Very high	89.2	Confident	74 Å²	74	68.9 Å²	68.9	35%	0.346	36%	0.364	S	S	.	.	H	α-helix	trans	-67.5	-47.9	176.4	-172.1	160.1	54.9	0	0	112.6	L588 F590 N594 K634 E635 I638	L588-Q592 WeakPolarHBondContact O-CB 3.45Å; L588-Q592 PolarHBondContact O-N 2.71Å; F590-Q592 VanDerWaalsContact C-N 3.31Å; F590-Q592 PolarHBondContact O-N 3.31Å; Q592-N594 PolarHBondContact O-N 2.69Å; Q592-K634 WeakPolarHBondContact O-CE 3.11Å; Q592-K634 PolarHBondContact O-NZ 3.19Å; Q592-E635 WeakPolarHBondContact CG-OE1 3.33Å; Q592-E635 PolarHBondContact NE2-OE1 2.84Å; Q592-E635 PolarHBondContact NE2-OE2 3.38Å; Q592-E635 VanDerWaalsContact NE2-OE2 3.09Å; Q592-I638 HydrophobicContact CB-CD1 3.76Å; Q592-I638 HydrophobicContact CG-CD1 4.22Å
593	S	92.1	Very high	89.6	Confident	84 Å²	84	69.8 Å²	69.8	59%	0.587	37%	0.368	S	S	*	.	H	α-helix	trans	-82.2	-6.6	-171.9	57.4	0	0	0	0	115.7	T589 F590	T589-S593 WeakPolarHBondContact O-CB 3.45Å; T589-S593 PolarHBondContact O-N 3.07Å; T589-S593 PolarHBondContact O-OG 2.93Å; F590-S593 PolarHBondContact O-N 3.43Å; F590-S593 PolarHBondContact O-OG 3.43Å
594	N	92.4	Very high	90	Very high	57 Å²	57	66.9 Å²	66.9	31%	0.305	35%	0.351	S	S	.	.	S	Bend	trans	-120	157.3	177.7	-64.3	-96.2	0	0	0	110.6	F590 Q592 L599 K634	F590-N594 WeakPolarHBondContact CD2-ND2 3.31Å; F590-N594 WeakPolarHBondContact CE2-ND2 3.26Å; F590-N594 WeakPolarHBondContact O-CB 3.37Å; F590-N594 PolarHBondContact O-N 2.81Å; F590-N594 VanDerWaalsContact O-N 3.15Å; F590-N594 PolarHBondContact O-ND2 3.16Å; Q592-N594 PolarHBondContact O-N 2.69Å; N594-L599 HydrophobicContact CB-CD1 3.71Å; N594-K634 PolarHBondContact O-NZ 3.12Å
595	N	90.3	Very high	90.4	Very high	60 Å²	60	65.3 Å²	65.3	32%	0.321	34%	0.344	S	S	.	.			trans	-80.4	121.6	174.5	-177.9	-85	0	0	0	110.4	D597 V598 L599 E631	N595-D597 PolarHBondContact OD1-N 3.11Å; N595-V598 HydrophobicContact CB-CB 4.3Å; N595-V598 HydrophobicContact CB-CG2 4.45Å; N595-V598 WeakPolarHBondContact OD1-CB 3.47Å; N595-V598 VanDerWaalsContact OD1-CG2 3.25Å; N595-V598 WeakPolarHBondContact OD1-CG2 3.24Å; N595-V598 PolarHBondContact OD1-N 3.35Å; N595-L599 WeakPolarHBondContact O-CG 3.17Å; N595-L599 PolarHBondContact O-N 2.82Å; N595-E631 VanDerWaalsContact CA-OE2 3.27Å; N595-E631 WeakPolarHBondContact CA-OE2 3.29Å; N595-E631 WeakPolarHBondContact ND2-CG 3.31Å; N595-E631 PolarHBondContact ND2-OE1 3.46Å; N595-E631 VanDerWaalsContact ND2-OE1 3.17Å
596	I	88.8	Confident	90.5	Very high	1 Å²	1	66 Å²	66	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-71.4	-42	-173.5	-60.5	-175.1	0	0	0	111.6	I591 V598 L599 D600 L601 V629 E631 K634	I591-I596 HydrophobicContact CG2-CD1 3.58Å; I591-I596 HydrophobicContact CG2-CG1 4.3Å; I596-V598 VanDerWaalsContact C-N 3.31Å; I596-V598 PolarHBondContact O-N 3.48Å; I596-L599 PolarHBondContact O-N 2.99Å; I596-L599 VanDerWaalsContact O-N 3.07Å; I596-D600 PolarHBondContact O-N 3.2Å; I596-D600 VanDerWaalsContact O-N 3.11Å; I596-L601 HydrophobicContact CG2-CB 4.18Å; I596-V629 HydrophobicContact CD1-CG1 3.79Å; I596-E631 PolarHBondContact N-OE2 3.42Å; I596-K634 HydrophobicContact CD1-CB 3.39Å; I596-K634 HydrophobicContact CD1-CD 3.79Å; I596-K634 HydrophobicContact CD1-CG 4.27Å; I596-K634 HydrophobicContact CG1-CB 4.44Å; I596-K634 HydrophobicContact CG1-CD 4Å
597	D	85.8	Confident	90.6	Very high	80 Å²	80	62.1 Å²	62.1	43%	0.428	33%	0.33	S	S	.	.	H	α-helix	trans	-65.6	-36.2	-174.5	-52.2	-28.1	0	0	0	111.4	N595 D600 T630 E631	N595-D597 PolarHBondContact OD1-N 3.11Å; D597-D600 PolarHBondContact O-N 3.32Å; D597-T630 VanDerWaalsContact OD1-CA 3.25Å; D597-T630 WeakPolarHBondContact OD1-CA 3.39Å; D597-T630 WeakPolarHBondContact OD1-CB 3.25Å; D597-E631 PolarHBondContact OD1-N 2.91Å; D597-E631 WeakPolarHBondContact OD2-CB 3.32Å; D597-E631 PolarHBondContact OD2-N 2.99Å
598	V	86.7	Confident	90.4	Very high	123 Å²	123	64.3 Å²	64.3	75%	0.745	34%	0.337	S	S	*	.	H	α-helix	trans	-71.7	-26.7	174.2	169.5	0	0	0	0	112.8	N595 I596	N595-V598 HydrophobicContact CB-CB 4.3Å; N595-V598 HydrophobicContact CB-CG2 4.45Å; N595-V598 WeakPolarHBondContact OD1-CB 3.47Å; N595-V598 VanDerWaalsContact OD1-CG2 3.25Å; N595-V598 WeakPolarHBondContact OD1-CG2 3.24Å; N595-V598 PolarHBondContact OD1-N 3.35Å; I596-V598 VanDerWaalsContact C-N 3.31Å; I596-V598 PolarHBondContact O-N 3.48Å
599	L	86.8	Confident	90	Very high	75 Å²	75	66.9 Å²	66.9	39%	0.393	35%	0.347	S	S	.	.	H	α-helix	trans	-85.6	-8.4	176.1	-70.7	177.2	0	0	0	113.5	F590 N594 N595 I596 L601	F590-L599 HydrophobicContact CE1-CD1 3.81Å; F590-L599 HydrophobicContact CZ-CD1 3.95Å; N594-L599 HydrophobicContact CB-CD1 3.71Å; N595-L599 WeakPolarHBondContact O-CG 3.17Å; N595-L599 PolarHBondContact O-N 2.82Å; I596-L599 PolarHBondContact O-N 2.99Å; I596-L599 VanDerWaalsContact O-N 3.07Å; L599-L601 HydrophobicContact CB-CD1 4.33Å; L599-L601 HydrophobicContact CB-CD2 4.17Å; L599-L601 HydrophobicContact CB-CG 3.81Å; L599-L601 HydrophobicContact CD1-CD1 4.27Å; L599-L601 PolarHBondContact O-N 2.94Å
600	D	82.4	Confident	89.3	Confident	106 Å²	106	71.9 Å²	71.9	57%	0.567	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.6	45.4	-173.8	-161.4	17.4	0	0	0	113.3	I596 D597 E602 R628	I596-D600 PolarHBondContact O-N 3.2Å; I596-D600 VanDerWaalsContact O-N 3.11Å; D597-D600 PolarHBondContact O-N 3.32Å; D600-E602 PolarHBondContact O-N 3.29Å; D600-R628 IonicContact OD1-CZ 2.8Å; D600-R628 IonicContact OD1-NH1 3.78Å; D600-R628 PolarHBondContact OD1-NH1 2.94Å; D600-R628 VanDerWaalsContact OD1-NH1 3.14Å; D600-R628 IonicContact OD1-NH2 2.78Å; D600-R628 PolarHBondContact OD1-NH2 3.41Å
601	L	82.5	Confident	88.3	Confident	53 Å²	53	69 Å²	69	28%	0.277	36%	0.356	S	S	.	.			trans	-72.6	122.1	175.8	-54.9	178.1	0	0	0	109.1	I596 L599 L603 R628	I596-L601 HydrophobicContact CG2-CB 4.18Å; L599-L601 HydrophobicContact CB-CD1 4.33Å; L599-L601 HydrophobicContact CB-CD2 4.17Å; L599-L601 HydrophobicContact CB-CG 3.81Å; L599-L601 HydrophobicContact CD1-CD1 4.27Å; L599-L601 PolarHBondContact O-N 2.94Å; L601-L603 HydrophobicContact CB-CD1 4.06Å; L601-L603 HydrophobicContact CB-CG 3.98Å; L601-L603 HydrophobicContact CD1-CD1 4.09Å; L601-L603 PolarHBondContact O-N 3.15Å; L601-R628 PolarHBondContact O-NH2 3.01Å
602	E	86.8	Confident	87.1	Confident	160 Å²	160	74.5 Å²	74.5	75%	0.748	39%	0.385	S	S	*	.			trans	-76.1	54.4	174.9	-62.1	-174.3	133.5	0	0	111.5	D600	D600-E602 PolarHBondContact O-N 3.29Å
603	L	92.3	Very high	86.2	Confident	40 Å²	40	73.6 Å²	73.6	21%	0.209	40%	0.396	C	S	.	.			trans	-86.1	142.5	176.5	-68.7	174.3	0	0	0	110.6	I591 L601 R628 V629 Y637	I591-L603 HydrophobicContact CD1-CD1 3.89Å; I591-L603 HydrophobicContact CG1-CD1 4.32Å; L601-L603 HydrophobicContact CB-CD1 4.06Å; L601-L603 HydrophobicContact CB-CG 3.98Å; L601-L603 HydrophobicContact CD1-CD1 4.09Å; L601-L603 PolarHBondContact O-N 3.15Å; L603-R628 WeakPolarHBondContact O-CG 3.22Å; L603-V629 HydrophobicContact CB-CB 3.78Å; L603-V629 HydrophobicContact CB-CG2 3.9Å; L603-V629 PolarHBondContact O-N 3.28Å; L603-Y637 HydrophobicContact CD1-CE1 4.5Å
604	Y	95.1	Very high	85.4	Confident	93 Å²	93	74.3 Å²	74.3	37%	0.365	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-131.4	170	175.2	-69.1	-96.8	0	0	0	108.9	L606 I627 R628 Y637	Y604-L606 PolarHBondContact O-N 2.71Å; Y604-I627 VanDerWaalsContact CA-O 3.26Å; Y604-I627 WeakPolarHBondContact CA-O 3.32Å; Y604-I627 WeakPolarHBondContact CD1-O 3.36Å; Y604-R628 HydrophobicContact CD1-CB 4.27Å; Y604-R628 HydrophobicContact CE1-CB 3.94Å; Y604-Y637 WeakPolarHBondContact O-CE2 3.26Å
605	F	96.6	Very high	85	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	41%	0.406	C	S	.	.	S	Bend	trans	-77.6	50.1	174.3	-75.9	-105.8	0	0	0	111.9	L620 K621 G624 I627 V629 N633 E636 Y637 L640	F605-L620 HydrophobicContact CB-CB 4.34Å; F605-L620 HydrophobicContact CD1-CB 4.49Å; F605-L620 PolarHBondContact O-N 3.22Å; F605-K621 HydrophobicContact CB-CD 4.18Å; F605-K621 HydrophobicContact CB-CG 3.93Å; F605-K621 HydrophobicContact CD1-CD 3.36Å; F605-K621 HydrophobicContact CD1-CG 3.88Å; F605-K621 HydrophobicContact CD2-CD 4.45Å; F605-K621 HydrophobicContact CE1-CD 3.73Å; F605-K621 HydrophobicContact CG-CD 3.77Å; F605-K621 HydrophobicContact CG-CG 4.08Å; F605-K621 HydrophobicContact CZ-CD 4.41Å; F605-G624 PolarHBondContact N-O 3.37Å; F605-G624 VanDerWaalsContact N-O 3.15Å; F605-I627 HydrophobicContact CD2-CB 3.9Å; F605-I627 HydrophobicContact CD2-CG2 3.5Å; F605-I627 VanDerWaalsContact CD2-CG2 3.5Å; F605-I627 HydrophobicContact CE2-CG2 3.66Å; F605-I627 HydrophobicContact CG-CG2 4.44Å; F605-I627 PolarHBondContact N-O 3.2Å; F605-I627 VanDerWaalsContact N-O 3.16Å; F605-V629 HydrophobicContact CD2-CG2 3.87Å; F605-V629 HydrophobicContact CE2-CG2 3.86Å; F605-N633 HydrophobicContact CZ-CB 4.28Å; F605-E636 HydrophobicContact CE1-CB 4.14Å; F605-E636 HydrophobicContact CE1-CG 4.01Å; F605-E636 HydrophobicContact CZ-CB 4.25Å; F605-E636 HydrophobicContact CZ-CG 4.5Å; F605-Y637 HydrophobicContact CD1-CD2 4.37Å; F605-Y637 HydrophobicContact CG-CD2 4.49Å; F605-L640 HydrophobicContact CD1-CD1 3.83Å; F605-L640 HydrophobicContact CE1-CD1 3.91Å
606	L	94.4	Very high	84.8	Confident	56 Å²	56	80.1 Å²	80.1	29%	0.293	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	155.5	176.8	-64.3	-178.5	0	0	0	109.8	Y604 T617 H618 E619	Y604-L606 PolarHBondContact O-N 2.71Å; L606-T617 HydrophobicContact CB-CG2 4.23Å; L606-T617 HydrophobicContact CD1-CG2 4.18Å; L606-T617 HydrophobicContact CD2-CG2 4.1Å; L606-T617 HydrophobicContact CG-CG2 4.41Å; L606-H618 CarbonylContact C-O 3.55Å; L606-H618 WeakPolarHBondContact CA-O 3.17Å; L606-E619 HydrophobicContact CD2-CB 4.21Å; L606-E619 HydrophobicContact CD2-CG 3.72Å
607	V	91.8	Very high	84.9	Confident	13 Å²	13	84.2 Å²	84.2	8%	0.079	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	127.9	165.1	61	0	0	0	0	111.4	H618 L620 M641 W644	V607-H618 HydrophobicContact CG1-CB 4.06Å; V607-H618 PolarHBondContact N-O 2.89Å; V607-H618 PolarHBondContact O-N 3.24Å; V607-L620 HydrophobicContact CG1-CD2 3.81Å; V607-L620 HydrophobicContact CG1-CG 4.36Å; V607-M641 HydrophobicContact CB-CE 4.16Å; V607-M641 HydrophobicContact CB-SD 3.87Å; V607-M641 HydrophobicContact CG1-SD 4.32Å; V607-M641 HydrophobicContact CG2-CE 3.79Å; V607-M641 HydrophobicContact CG2-SD 3.96Å; V607-W644 HydrophobicContact CB-CH2 4.18Å; V607-W644 HydrophobicContact CB-CZ2 4.4Å; V607-W644 HydrophobicContact CB-CZ3 4.32Å; V607-W644 HydrophobicContact CG1-CD2 3.7Å; V607-W644 VanDerWaalsContact CG1-CE2 3.44Å; V607-W644 HydrophobicContact CG1-CE3 3.94Å; V607-W644 HydrophobicContact CG1-CG 4.35Å; V607-W644 HydrophobicContact CG1-CH2 3.67Å; V607-W644 HydrophobicContact CG1-CZ2 3.45Å; V607-W644 VanDerWaalsContact CG1-CZ2 3.45Å; V607-W644 HydrophobicContact CG1-CZ3 3.93Å; V607-W644 HydrophobicContact CG2-CE3 4.21Å; V607-W644 HydrophobicContact CG2-CH2 3.4Å; V607-W644 HydrophobicContact CG2-CZ2 4.08Å; V607-W644 HydrophobicContact CG2-CZ3 3.51Å
608	D	89.3	Confident	85.1	Confident	106 Å²	106	84.1 Å²	84.1	57%	0.567	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	137.4	171.5	-68.6	-30.8	0	0	0	110.3	I615 R616 T617	D608-I615 HydrophobicContact CB-CG2 4.22Å; D608-R616 WeakPolarHBondContact CA-O 3.47Å; D608-T617 WeakPolarHBondContact OD1-CA 3.32Å; D608-T617 VanDerWaalsContact OD1-CB 3.28Å; D608-T617 WeakPolarHBondContact OD1-CB 3.4Å; D608-T617 WeakPolarHBondContact OD1-CG2 3.48Å; D608-T617 PolarHBondContact OD1-OG1 2.9Å
609	Y	84.4	Confident	85.5	Confident	58 Å²	58	82.5 Å²	82.5	23%	0.227	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	147.2	176.6	71.5	-74.2	0	0	0	111.8	L611 I615 R616 H618 W644	Y609-L611 HydrophobicContact CD2-CB 4.33Å; Y609-L611 HydrophobicContact CE2-CB 4.02Å; Y609-L611 HydrophobicContact CE2-CD2 4.35Å; Y609-I615 WeakPolarHBondContact O-CA 3.12Å; Y609-R616 HydrophobicContact CD1-CB 4.2Å; Y609-R616 WeakPolarHBondContact CD1-O 3.28Å; Y609-R616 HydrophobicContact CE1-CB 3.65Å; Y609-R616 PolarHBondContact N-O 3.14Å; Y609-R616 PolarHBondContact O-N 2.92Å; Y609-H618 HydrophobicContact CD1-CB 4.5Å; Y609-H618 HydrophobicContact CE1-CB 4.09Å; Y609-W644 AromaticContact CD1-CZ2 3.81Å; Y609-W644 HydrophobicContact CD1-CZ2 3.81Å; Y609-W644 HydrophobicContact CE1-CZ2 4.48Å; Y609-W644 HydrophobicContact CG-CH2 4.35Å; Y609-W644 AromaticContact CG-CZ2 3.94Å; Y609-W644 HydrophobicContact CG-CZ2 3.94Å
610	E	78.2	Confident	85.9	Confident	148 Å²	148	79.8 Å²	79.8	69%	0.692	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	129	175.2	-166.8	-176.6	144.7	0	0	110.1	G613 E614	E610-G613 WeakPolarHBondContact OE1-CA 3.39Å; E610-E614 CarbonylContact C-O 3.56Å; E610-E614 WeakPolarHBondContact CA-O 3.24Å
611	L	71.7	Confident	86.5	Confident	44 Å²	44	77.9 Å²	77.9	23%	0.23	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	113	174.1	-178.4	63.7	0	0	0	108.7	Y609 G613 E614	Y609-L611 HydrophobicContact CD2-CB 4.33Å; Y609-L611 HydrophobicContact CE2-CB 4.02Å; Y609-L611 HydrophobicContact CE2-CD2 4.35Å; L611-G613 PolarHBondContact O-N 2.97Å; L611-E614 PolarHBondContact N-O 3.15Å; L611-E614 WeakPolarHBondContact O-CB 3.4Å; L611-E614 PolarHBondContact O-N 2.93Å
612	L	68.9	Low	87	Confident	134 Å²	134	84.3 Å²	84.3	70%	0.702	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	30.8	-176.5	-55.1	-178.9	0	0	0	114.5	F529	F529-L612 HydrophobicContact CE2-CD1 4.07Å; F529-L612 HydrophobicContact CZ-CD1 3.86Å; F529-L612 HydrophobicContact CZ-CG 4.4Å
613	G	72.8	Confident	87.3	Confident	55 Å²	55	78.2 Å²	78.2	57%	0.567	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	-3.6	-177.1	0	0	0	0	0	115.1	E610 L611	E610-G613 WeakPolarHBondContact OE1-CA 3.39Å; L611-G613 PolarHBondContact O-N 2.97Å
614	E	75	Confident	87.3	Confident	98 Å²	98	76.3 Å²	76.3	46%	0.458	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	126	170.8	-174.6	178.4	-135.6	0	0	109.8	E610 L611 R616	E610-E614 CarbonylContact C-O 3.56Å; E610-E614 WeakPolarHBondContact CA-O 3.24Å; L611-E614 PolarHBondContact N-O 3.15Å; L611-E614 WeakPolarHBondContact O-CB 3.4Å; L611-E614 PolarHBondContact O-N 2.93Å; E614-R616 HydrophobicContact CG-CG 4.18Å; E614-R616 IonicContact OE2-CZ 3.81Å; E614-R616 IonicContact OE2-NE 3.18Å; E614-R616 PolarHBondContact OE2-NE 3.18Å; E614-R616 IonicContact OE2-NH2 2.74Å; E614-R616 PolarHBondContact OE2-NH2 2.8Å
615	I	83.4	Confident	87.2	Confident	127 Å²	127	73.2 Å²	73.2	65%	0.651	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	123.8	170.5	-59.3	174.9	0	0	0	108.2	D608 Y609	D608-I615 HydrophobicContact CB-CG2 4.22Å; Y609-I615 WeakPolarHBondContact O-CA 3.12Å
616	R	86.3	Confident	87	Confident	113 Å²	113	78.5 Å²	78.5	43%	0.426	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.3	176.2	-64.4	-175.8	176.8	-162.2	-2.6	110	D608 Y609 E614	D608-R616 WeakPolarHBondContact CA-O 3.47Å; Y609-R616 HydrophobicContact CD1-CB 4.2Å; Y609-R616 WeakPolarHBondContact CD1-O 3.28Å; Y609-R616 HydrophobicContact CE1-CB 3.65Å; Y609-R616 PolarHBondContact N-O 3.14Å; Y609-R616 PolarHBondContact O-N 2.92Å; E614-R616 HydrophobicContact CG-CG 4.18Å; E614-R616 IonicContact OE2-CZ 3.81Å; E614-R616 IonicContact OE2-NE 3.18Å; E614-R616 PolarHBondContact OE2-NE 3.18Å; E614-R616 IonicContact OE2-NH2 2.74Å; E614-R616 PolarHBondContact OE2-NH2 2.8Å
617	T	91.2	Very high	87	Confident	87 Å²	87	78.4 Å²	78.4	53%	0.534	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	136.9	172.8	-50.1	0	0	0	0	109.4	L606 D608	L606-T617 HydrophobicContact CB-CG2 4.23Å; L606-T617 HydrophobicContact CD1-CG2 4.18Å; L606-T617 HydrophobicContact CD2-CG2 4.1Å; L606-T617 HydrophobicContact CG-CG2 4.41Å; D608-T617 WeakPolarHBondContact OD1-CA 3.32Å; D608-T617 VanDerWaalsContact OD1-CB 3.28Å; D608-T617 WeakPolarHBondContact OD1-CB 3.4Å; D608-T617 WeakPolarHBondContact OD1-CG2 3.48Å; D608-T617 PolarHBondContact OD1-OG1 2.9Å
618	H	90.8	Very high	87.1	Confident	77 Å²	77	81.9 Å²	81.9	36%	0.356	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	127.3	177.5	179.5	-73.3	0	0	0	110	L606 V607 Y609 W644	L606-H618 CarbonylContact C-O 3.55Å; L606-H618 WeakPolarHBondContact CA-O 3.17Å; V607-H618 HydrophobicContact CG1-CB 4.06Å; V607-H618 PolarHBondContact N-O 2.89Å; V607-H618 PolarHBondContact O-N 3.24Å; Y609-H618 HydrophobicContact CD1-CB 4.5Å; Y609-H618 HydrophobicContact CE1-CB 4.09Å; H618-W644 AromaticContact CD2-NE1 3.77Å; H618-W644 AromaticContact CE1-CD1 3.63Å; H618-W644 AromaticContact CE1-NE1 3.97Å; H618-W644 AromaticContact CG-NE1 3.57Å; H618-W644 AromaticContact ND1-CD1 3.65Å; H618-W644 AromaticContact ND1-NE1 3.67Å; H618-W644 AromaticContact NE2-CD1 3.91Å
619	E	95.2	Very high	87.4	Confident	90 Å²	90	76.8 Å²	76.8	42%	0.421	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	126.2	171.4	-54.5	-146	124.3	0	0	110.3	L606 K621 G623 G624 G625	L606-E619 HydrophobicContact CD2-CB 4.21Å; L606-E619 HydrophobicContact CD2-CG 3.72Å; E619-K621 VanDerWaalsContact C-N 3.27Å; E619-K621 WeakPolarHBondContact CB-O 3.5Å; E619-K621 PolarHBondContact O-N 2.84Å; E619-G623 WeakPolarHBondContact OE2-CA 3.35Å; E619-G623 PolarHBondContact OE2-N 2.58Å; E619-G624 VanDerWaalsContact CD-N 3.34Å; E619-G624 PolarHBondContact OE1-N 2.81Å; E619-G624 PolarHBondContact OE2-N 2.76Å; E619-G625 PolarHBondContact OE1-N 3.3Å
620	L	94.6	Very high	87.8	Confident	18 Å²	18	76 Å²	76	9%	0.094	41%	0.407	C	S	.	.	S	Bend	trans	-73.9	-20	-179.6	-65.7	172	0	0	0	113	F605 V607 Y637 L640 M641 W644	F605-L620 HydrophobicContact CB-CB 4.34Å; F605-L620 HydrophobicContact CD1-CB 4.49Å; F605-L620 PolarHBondContact O-N 3.22Å; V607-L620 HydrophobicContact CG1-CD2 3.81Å; V607-L620 HydrophobicContact CG1-CG 4.36Å; L620-Y637 HydrophobicContact CD1-CD2 3.76Å; L620-Y637 HydrophobicContact CD1-CE2 3.71Å; L620-L640 HydrophobicContact CB-CB 4.14Å; L620-L640 HydrophobicContact CB-CD1 4.29Å; L620-M641 HydrophobicContact CD1-CG 3.68Å; L620-M641 HydrophobicContact CD1-SD 3.77Å; L620-M641 HydrophobicContact CD2-SD 4Å; L620-M641 HydrophobicContact CG-SD 4.48Å; L620-W644 HydrophobicContact CD2-CB 3.96Å; L620-W644 HydrophobicContact CD2-CG 4.07Å
621	K	95.1	Very high	88.6	Confident	65 Å²	65	71.7 Å²	71.7	28%	0.283	39%	0.387	S	S	.	.	S	Bend	trans	-152.9	162.2	174.7	61	-171.8	-73.2	169.2	0	108.6	F605 E619 G623 G624 I627 E636 L640	F605-K621 HydrophobicContact CB-CD 4.18Å; F605-K621 HydrophobicContact CB-CG 3.93Å; F605-K621 HydrophobicContact CD1-CD 3.36Å; F605-K621 HydrophobicContact CD1-CG 3.88Å; F605-K621 HydrophobicContact CD2-CD 4.45Å; F605-K621 HydrophobicContact CE1-CD 3.73Å; F605-K621 HydrophobicContact CG-CD 3.77Å; F605-K621 HydrophobicContact CG-CG 4.08Å; F605-K621 HydrophobicContact CZ-CD 4.41Å; E619-K621 VanDerWaalsContact C-N 3.27Å; E619-K621 WeakPolarHBondContact CB-O 3.5Å; E619-K621 PolarHBondContact O-N 2.84Å; K621-G623 PolarHBondContact O-N 3.09Å; K621-G624 WeakPolarHBondContact O-CA 3.47Å; K621-G624 PolarHBondContact O-N 2.75Å; K621-I627 HydrophobicContact CD-CD1 3.98Å; K621-I627 HydrophobicContact CG-CD1 4.19Å; K621-E636 IonicContact NZ-OE1 2.68Å; K621-E636 PolarHBondContact NZ-OE1 3.47Å; K621-E636 IonicContact NZ-OE2 2.64Å; K621-E636 PolarHBondContact NZ-OE2 3.46Å; K621-L640 HydrophobicContact CB-CD1 4.22Å; K621-L640 HydrophobicContact CD-CD1 4.24Å
622	E	93.9	Very high	89.6	Confident	189 Å²	189	78.7 Å²	78.7	88%	0.883	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	124.6	178.9	-173.7	178	-179.2	0	0	111.9	G624	E622-G624 VanDerWaalsContact C-N 3.28Å; E622-G624 PolarHBondContact O-N 3.41Å
623	G	92.7	Very high	90.9	Very high	31 Å²	31	74 Å²	74	32%	0.32	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	17.1	-177.6	0	0	0	0	0	113.9	E619 K621 G625 S626	E619-G623 WeakPolarHBondContact OE2-CA 3.35Å; E619-G623 PolarHBondContact OE2-N 2.58Å; K621-G623 PolarHBondContact O-N 3.09Å; G623-G625 PolarHBondContact O-N 2.89Å; G623-G625 VanDerWaalsContact O-N 3.12Å; G623-S626 WeakPolarHBondContact O-CB 3.48Å; G623-S626 PolarHBondContact O-N 3.25Å
624	G	92.6	Very high	91.9	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-55.7	-30.2	-171.2	0	0	0	0	0	114.9	F605 E619 K621 E622 S626 I627	F605-G624 PolarHBondContact N-O 3.37Å; F605-G624 VanDerWaalsContact N-O 3.15Å; E619-G624 VanDerWaalsContact CD-N 3.34Å; E619-G624 PolarHBondContact OE1-N 2.81Å; E619-G624 PolarHBondContact OE2-N 2.76Å; K621-G624 WeakPolarHBondContact O-CA 3.47Å; K621-G624 PolarHBondContact O-N 2.75Å; E622-G624 VanDerWaalsContact C-N 3.28Å; E622-G624 PolarHBondContact O-N 3.41Å; G624-S626 PolarHBondContact O-N 3.49Å; G624-I627 PolarHBondContact O-N 3.19Å
625	G	91.6	Very high	92.8	Very high	29 Å²	29	71.4 Å²	71.4	30%	0.299	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-68.4	-14.5	174	0	0	0	0	0	115.3	E619 G623	E619-G625 PolarHBondContact OE1-N 3.3Å; G623-G625 PolarHBondContact O-N 2.89Å; G623-G625 VanDerWaalsContact O-N 3.12Å
626	S	93	Very high	93.4	Very high	111 Å²	111	69.3 Å²	69.3	78%	0.776	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-96.9	-9.9	173.1	-57.4	0	0	0	0	113.2	G623 G624	G623-S626 WeakPolarHBondContact O-CB 3.48Å; G623-S626 PolarHBondContact O-N 3.25Å; G624-S626 PolarHBondContact O-N 3.49Å
627	I	94.9	Very high	93.9	Very high	53 Å²	53	64.5 Å²	64.5	27%	0.272	34%	0.336	S	S	.	.			trans	-102.2	107.1	-174	-55.1	172.7	0	0	0	108.7	Y604 F605 K621 G624	Y604-I627 VanDerWaalsContact CA-O 3.26Å; Y604-I627 WeakPolarHBondContact CA-O 3.32Å; Y604-I627 WeakPolarHBondContact CD1-O 3.36Å; F605-I627 HydrophobicContact CD2-CB 3.9Å; F605-I627 HydrophobicContact CD2-CG2 3.5Å; F605-I627 VanDerWaalsContact CD2-CG2 3.5Å; F605-I627 HydrophobicContact CE2-CG2 3.66Å; F605-I627 HydrophobicContact CG-CG2 4.44Å; F605-I627 PolarHBondContact N-O 3.2Å; F605-I627 VanDerWaalsContact N-O 3.16Å; K621-I627 HydrophobicContact CD-CD1 3.98Å; K621-I627 HydrophobicContact CG-CD1 4.19Å; G624-I627 PolarHBondContact O-N 3.19Å
628	R	94.1	Very high	94.1	Very high	86 Å²	86	60.3 Å²	60.3	33%	0.325	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-69.3	139	171.1	-176.5	172.7	178.4	166.1	3.9	109.9	D600 L601 L603 Y604 N633	D600-R628 IonicContact OD1-CZ 2.8Å; D600-R628 IonicContact OD1-NH1 3.78Å; D600-R628 PolarHBondContact OD1-NH1 2.94Å; D600-R628 VanDerWaalsContact OD1-NH1 3.14Å; D600-R628 IonicContact OD1-NH2 2.78Å; D600-R628 PolarHBondContact OD1-NH2 3.41Å; L601-R628 PolarHBondContact O-NH2 3.01Å; L603-R628 WeakPolarHBondContact O-CG 3.22Å; Y604-R628 HydrophobicContact CD1-CB 4.27Å; Y604-R628 HydrophobicContact CE1-CB 3.94Å; R628-N633 PolarHBondContact O-ND2 2.69Å
629	V	94.9	Very high	94.3	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.309	C	S	.	.			trans	-77.7	128.1	170.1	-174.5	0	0	0	0	108.8	I596 L603 F605 N633 K634 Y637	I596-V629 HydrophobicContact CD1-CG1 3.79Å; L603-V629 HydrophobicContact CB-CB 3.78Å; L603-V629 HydrophobicContact CB-CG2 3.9Å; L603-V629 PolarHBondContact O-N 3.28Å; F605-V629 HydrophobicContact CD2-CG2 3.87Å; F605-V629 HydrophobicContact CE2-CG2 3.86Å; V629-N633 VanDerWaalsContact CA-OD1 3.23Å; V629-N633 WeakPolarHBondContact CA-OD1 3.45Å; V629-N633 WeakPolarHBondContact CG1-OD1 3.18Å; V629-K634 HydrophobicContact CG1-CB 4.22Å; V629-Y637 HydrophobicContact CG1-CD1 4.23Å; V629-Y637 HydrophobicContact CG1-CG 4.06Å; V629-Y637 HydrophobicContact CG2-CD1 4.37Å; V629-Y637 HydrophobicContact CG2-CD2 3.52Å; V629-Y637 HydrophobicContact CG2-CE2 4.01Å; V629-Y637 HydrophobicContact CG2-CG 3.71Å
630	T	93.4	Very high	94.4	Very high	41 Å²	41	57.3 Å²	57.3	25%	0.252	30%	0.299	S	S	.	.			trans	-125.3	171.1	178.9	62.8	0	0	0	0	109.6	D597 E632 N633 K634	D597-T630 VanDerWaalsContact OD1-CA 3.25Å; D597-T630 WeakPolarHBondContact OD1-CA 3.39Å; D597-T630 WeakPolarHBondContact OD1-CB 3.25Å; T630-E632 PolarHBondContact O-N 3.22Å; T630-N633 PolarHBondContact N-OD1 2.92Å; T630-N633 PolarHBondContact O-N 2.78Å; T630-N633 PolarHBondContact O-OD1 3.14Å; T630-N633 PolarHBondContact OG1-ND2 2.8Å; T630-K634 WeakPolarHBondContact O-CB 3.46Å; T630-K634 PolarHBondContact O-N 3.22Å
631	E	94.1	Very high	94.4	Very high	58 Å²	58	57 Å²	57	27%	0.271	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-35.1	175.3	-169.9	73.3	164.7	0	0	112.8	N595 I596 D597 K634	N595-E631 VanDerWaalsContact CA-OE2 3.27Å; N595-E631 WeakPolarHBondContact CA-OE2 3.29Å; N595-E631 WeakPolarHBondContact ND2-CG 3.31Å; N595-E631 PolarHBondContact ND2-OE1 3.46Å; N595-E631 VanDerWaalsContact ND2-OE1 3.17Å; I596-E631 PolarHBondContact N-OE2 3.42Å; D597-E631 PolarHBondContact OD1-N 2.91Å; D597-E631 WeakPolarHBondContact OD2-CB 3.32Å; D597-E631 PolarHBondContact OD2-N 2.99Å; E631-K634 IonicContact OE1-NZ 3.67Å; E631-K634 PolarHBondContact OE1-NZ 2.9Å; E631-K634 WeakPolarHBondContact OE2-CD 3.29Å; E631-K634 WeakPolarHBondContact OE2-CE 3.33Å; E631-K634 IonicContact OE2-NZ 2.71Å; E631-K634 PolarHBondContact OE2-NZ 3.44Å
632	E	93.6	Very high	94.3	Very high	190 Å²	190	54.1 Å²	54.1	89%	0.888	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-32.6	-178.5	-60.9	-175.3	152.5	0	0	113.4	T630	T630-E632 PolarHBondContact O-N 3.22Å
633	N	94.9	Very high	94.2	Very high	36 Å²	36	50.7 Å²	50.7	19%	0.193	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-0.5	-174.8	73.2	26.7	0	0	0	114.1	F605 R628 V629 T630 E635 E636 Y637	F605-N633 HydrophobicContact CZ-CB 4.28Å; R628-N633 PolarHBondContact O-ND2 2.69Å; V629-N633 VanDerWaalsContact CA-OD1 3.23Å; V629-N633 WeakPolarHBondContact CA-OD1 3.45Å; V629-N633 WeakPolarHBondContact CG1-OD1 3.18Å; T630-N633 PolarHBondContact N-OD1 2.92Å; T630-N633 PolarHBondContact O-N 2.78Å; T630-N633 PolarHBondContact O-OD1 3.14Å; T630-N633 PolarHBondContact OG1-ND2 2.8Å; N633-E635 VanDerWaalsContact C-N 3.28Å; N633-E635 PolarHBondContact O-N 3.13Å; N633-E636 WeakPolarHBondContact O-CB 3.12Å; N633-E636 PolarHBondContact O-N 2.98Å; N633-Y637 PolarHBondContact O-N 3.4Å
634	K	94.5	Very high	94.3	Very high	16 Å²	16	50.1 Å²	50.1	7%	0.07	26%	0.258	C	S	.	.	H	α-helix	trans	-58.5	-34.4	-174.4	76.9	-175.8	-175.2	-176.5	0	114.8	Q592 N594 I596 V629 T630 E631 E636 Y637 I638	Q592-K634 WeakPolarHBondContact O-CE 3.11Å; Q592-K634 PolarHBondContact O-NZ 3.19Å; N594-K634 PolarHBondContact O-NZ 3.12Å; I596-K634 HydrophobicContact CD1-CB 3.39Å; I596-K634 HydrophobicContact CD1-CD 3.79Å; I596-K634 HydrophobicContact CD1-CG 4.27Å; I596-K634 HydrophobicContact CG1-CB 4.44Å; I596-K634 HydrophobicContact CG1-CD 4Å; V629-K634 HydrophobicContact CG1-CB 4.22Å; T630-K634 WeakPolarHBondContact O-CB 3.46Å; T630-K634 PolarHBondContact O-N 3.22Å; E631-K634 IonicContact OE1-NZ 3.67Å; E631-K634 PolarHBondContact OE1-NZ 2.9Å; E631-K634 WeakPolarHBondContact OE2-CD 3.29Å; E631-K634 WeakPolarHBondContact OE2-CE 3.33Å; E631-K634 IonicContact OE2-NZ 2.71Å; E631-K634 PolarHBondContact OE2-NZ 3.44Å; K634-E636 VanDerWaalsContact C-N 3.3Å; K634-E636 PolarHBondContact O-N 3.28Å; K634-Y637 WeakPolarHBondContact O-CB 3.35Å; K634-Y637 PolarHBondContact O-N 3.1Å; K634-I638 HydrophobicContact CG-CD1 4.31Å; K634-I638 WeakPolarHBondContact O-CB 3.29Å; K634-I638 WeakPolarHBondContact O-CD1 3.46Å; K634-I638 VanDerWaalsContact O-CG1 3.22Å; K634-I638 WeakPolarHBondContact O-CG1 3.34Å; K634-I638 PolarHBondContact O-N 3.09Å
635	E	94.9	Very high	94.2	Very high	82 Å²	82	51.6 Å²	51.6	38%	0.383	26%	0.263	S	S	.	.	H	α-helix	trans	-66.3	-33.5	177.5	-70.4	-60.9	141.5	0	0	111.5	Q592 N633 N639	Q592-E635 WeakPolarHBondContact CG-OE1 3.33Å; Q592-E635 PolarHBondContact NE2-OE1 2.84Å; Q592-E635 PolarHBondContact NE2-OE2 3.38Å; Q592-E635 VanDerWaalsContact NE2-OE2 3.09Å; N633-E635 VanDerWaalsContact C-N 3.28Å; N633-E635 PolarHBondContact O-N 3.13Å; E635-N639 WeakPolarHBondContact O-CB 3.43Å; E635-N639 PolarHBondContact O-N 2.85Å; E635-N639 PolarHBondContact O-ND2 2.88Å
636	E	96.1	Very high	94.2	Very high	84 Å²	84	51.1 Å²	51.1	39%	0.393	25%	0.254	S	S	.	.	H	α-helix	trans	-63.8	-48.9	171.3	-169	-170.3	-162.3	0	0	110.4	F605 K621 N633 K634 I638 N639 L640	F605-E636 HydrophobicContact CE1-CB 4.14Å; F605-E636 HydrophobicContact CE1-CG 4.01Å; F605-E636 HydrophobicContact CZ-CB 4.25Å; F605-E636 HydrophobicContact CZ-CG 4.5Å; K621-E636 IonicContact NZ-OE1 2.68Å; K621-E636 PolarHBondContact NZ-OE1 3.47Å; K621-E636 IonicContact NZ-OE2 2.64Å; K621-E636 PolarHBondContact NZ-OE2 3.46Å; N633-E636 WeakPolarHBondContact O-CB 3.12Å; N633-E636 PolarHBondContact O-N 2.98Å; K634-E636 VanDerWaalsContact C-N 3.3Å; K634-E636 PolarHBondContact O-N 3.28Å; E636-I638 PolarHBondContact O-N 3.17Å; E636-N639 PolarHBondContact O-N 3.01Å; E636-L640 HydrophobicContact CG-CD1 3.99Å; E636-L640 HydrophobicContact CG-CG 4.5Å; E636-L640 WeakPolarHBondContact O-CG 3.45Å; E636-L640 PolarHBondContact O-N 3.14Å
637	Y	96	Very high	94.1	Very high	11 Å²	11	47.8 Å²	47.8	4%	0.043	23%	0.227	C	C	.	.	H	α-helix	trans	-58.7	-43	177.3	171.4	-97.2	0	0	0	112.5	L588 I591 L603 Y604 F605 L620 V629 N633 K634 L640 M641	L588-Y637 HydrophobicContact CD2-CE1 4.43Å; I591-Y637 HydrophobicContact CD1-CE1 4.09Å; L603-Y637 HydrophobicContact CD1-CE1 4.5Å; Y604-Y637 WeakPolarHBondContact O-CE2 3.26Å; F605-Y637 HydrophobicContact CD1-CD2 4.37Å; F605-Y637 HydrophobicContact CG-CD2 4.49Å; L620-Y637 HydrophobicContact CD1-CD2 3.76Å; L620-Y637 HydrophobicContact CD1-CE2 3.71Å; V629-Y637 HydrophobicContact CG1-CD1 4.23Å; V629-Y637 HydrophobicContact CG1-CG 4.06Å; V629-Y637 HydrophobicContact CG2-CD1 4.37Å; V629-Y637 HydrophobicContact CG2-CD2 3.52Å; V629-Y637 HydrophobicContact CG2-CE2 4.01Å; V629-Y637 HydrophobicContact CG2-CG 3.71Å; N633-Y637 PolarHBondContact O-N 3.4Å; K634-Y637 WeakPolarHBondContact O-CB 3.35Å; K634-Y637 PolarHBondContact O-N 3.1Å; Y637-L640 PolarHBondContact O-N 2.88Å; Y637-M641 HydrophobicContact CD1-CG 4.46Å; Y637-M641 HydrophobicContact CD2-CG 4.25Å; Y637-M641 HydrophobicContact CE1-CG 4.07Å; Y637-M641 HydrophobicContact CE2-CG 3.84Å; Y637-M641 VanDerWaalsContact O-CB 3.29Å; Y637-M641 WeakPolarHBondContact O-CB 3.49Å; Y637-M641 WeakPolarHBondContact O-CG 3.48Å; Y637-M641 PolarHBondContact O-N 2.86Å
638	I	95.5	Very high	93.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.1	-42.2	177	-70.3	158.5	0	0	0	111.1	V574 L588 I591 Q592 K634 E636 T642	V574-I638 HydrophobicContact CG2-CG2 3.48Å; V574-I638 VanDerWaalsContact CG2-CG2 3.48Å; L588-I638 HydrophobicContact CD2-CG1 4.43Å; I591-I638 HydrophobicContact CG2-CD1 4.22Å; I591-I638 HydrophobicContact CG2-CG1 4.25Å; Q592-I638 HydrophobicContact CB-CD1 3.76Å; Q592-I638 HydrophobicContact CG-CD1 4.22Å; K634-I638 HydrophobicContact CG-CD1 4.31Å; K634-I638 WeakPolarHBondContact O-CB 3.29Å; K634-I638 WeakPolarHBondContact O-CD1 3.46Å; K634-I638 VanDerWaalsContact O-CG1 3.22Å; K634-I638 WeakPolarHBondContact O-CG1 3.34Å; K634-I638 PolarHBondContact O-N 3.09Å; E636-I638 PolarHBondContact O-N 3.17Å; I638-T642 WeakPolarHBondContact O-CB 3.25Å; I638-T642 PolarHBondContact O-N 3.38Å; I638-T642 PolarHBondContact O-OG1 3.31Å
639	N	95	Very high	93.3	Very high	60 Å²	60	46.5 Å²	46.5	32%	0.321	23%	0.231	S	C	.	.	H	α-helix	trans	-64.6	-47.3	176.6	-83.5	-92.1	0	0	0	111.3	K571 E635 E636 T642 E643	K571-N639 WeakPolarHBondContact CE-OD1 3.46Å; K571-N639 PolarHBondContact NZ-OD1 3.31Å; E635-N639 WeakPolarHBondContact O-CB 3.43Å; E635-N639 PolarHBondContact O-N 2.85Å; E635-N639 PolarHBondContact O-ND2 2.88Å; E636-N639 PolarHBondContact O-N 3.01Å; N639-T642 WeakPolarHBondContact O-CB 3.42Å; N639-T642 PolarHBondContact O-N 3.11Å; N639-E643 PolarHBondContact O-N 3.42Å
640	L	96.1	Very high	93.1	Very high	43 Å²	43	47.3 Å²	47.3	23%	0.225	24%	0.235	C	C	.	.	H	α-helix	trans	-65.4	-41.1	178.9	-67.6	170.6	0	0	0	112.3	F605 L620 K621 E636 Y637 T642 E643 W644	F605-L640 HydrophobicContact CD1-CD1 3.83Å; F605-L640 HydrophobicContact CE1-CD1 3.91Å; L620-L640 HydrophobicContact CB-CB 4.14Å; L620-L640 HydrophobicContact CB-CD1 4.29Å; K621-L640 HydrophobicContact CB-CD1 4.22Å; K621-L640 HydrophobicContact CD-CD1 4.24Å; E636-L640 HydrophobicContact CG-CD1 3.99Å; E636-L640 HydrophobicContact CG-CG 4.5Å; E636-L640 WeakPolarHBondContact O-CG 3.45Å; E636-L640 PolarHBondContact O-N 3.14Å; Y637-L640 PolarHBondContact O-N 2.88Å; L640-T642 VanDerWaalsContact C-N 3.31Å; L640-T642 PolarHBondContact O-N 2.82Å; L640-E643 PolarHBondContact O-N 2.95Å; L640-W644 VanDerWaalsContact O-CB 3.26Å; L640-W644 WeakPolarHBondContact O-CB 3.47Å; L640-W644 PolarHBondContact O-N 3.22Å
641	M	94.7	Very high	93.1	Very high	13 Å²	13	49.8 Å²	49.8	6%	0.064	24%	0.244	C	C	.	.	H	α-helix	trans	-63.7	-34.9	173.2	-81.8	-68.1	-104.8	0	0	112.7	F584 L588 V607 L620 Y637 W644 R645	F584-M641 HydrophobicContact CE1-CB 4.3Å; F584-M641 HydrophobicContact CE2-CE 3.77Å; F584-M641 HydrophobicContact CZ-CB 4.2Å; F584-M641 HydrophobicContact CZ-CE 3.52Å; F584-M641 HydrophobicContact CZ-SD 3.88Å; L588-M641 HydrophobicContact CD1-CB 4.14Å; L588-M641 HydrophobicContact CD2-CB 3.92Å; L588-M641 HydrophobicContact CD2-CG 4.4Å; V607-M641 HydrophobicContact CB-CE 4.16Å; V607-M641 HydrophobicContact CB-SD 3.87Å; V607-M641 HydrophobicContact CG1-SD 4.32Å; V607-M641 HydrophobicContact CG2-CE 3.79Å; V607-M641 HydrophobicContact CG2-SD 3.96Å; L620-M641 HydrophobicContact CD1-CG 3.68Å; L620-M641 HydrophobicContact CD1-SD 3.77Å; L620-M641 HydrophobicContact CD2-SD 4Å; L620-M641 HydrophobicContact CG-SD 4.48Å; Y637-M641 HydrophobicContact CD1-CG 4.46Å; Y637-M641 HydrophobicContact CD2-CG 4.25Å; Y637-M641 HydrophobicContact CE1-CG 4.07Å; Y637-M641 HydrophobicContact CE2-CG 3.84Å; Y637-M641 VanDerWaalsContact O-CB 3.29Å; Y637-M641 WeakPolarHBondContact O-CB 3.49Å; Y637-M641 WeakPolarHBondContact O-CG 3.48Å; Y637-M641 PolarHBondContact O-N 2.86Å; M641-W644 HydrophobicContact SD-CE3 4.35Å; M641-R645 WeakPolarHBondContact O-CB 3.42Å; M641-R645 PolarHBondContact O-N 3.18Å
642	T	93.9	Very high	93.1	Very high	4 Å²	4	53 Å²	53	3%	0.025	26%	0.259	C	S	.	.	H	α-helix	trans	-64.8	-50.3	174.9	-63.3	0	0	0	0	111	I577 I638 N639 L640 R645 L646	I577-T642 HydrophobicContact CD1-CG2 3.97Å; I577-T642 HydrophobicContact CG1-CG2 4.21Å; I638-T642 WeakPolarHBondContact O-CB 3.25Å; I638-T642 PolarHBondContact O-N 3.38Å; I638-T642 PolarHBondContact O-OG1 3.31Å; N639-T642 WeakPolarHBondContact O-CB 3.42Å; N639-T642 PolarHBondContact O-N 3.11Å; L640-T642 VanDerWaalsContact C-N 3.31Å; L640-T642 PolarHBondContact O-N 2.82Å; T642-R645 PolarHBondContact O-N 3.48Å; T642-L646 HydrophobicContact CG2-CD1 4.13Å; T642-L646 WeakPolarHBondContact O-CG 3.3Å; T642-L646 PolarHBondContact O-N 2.82Å
643	E	92.8	Very high	93.2	Very high	116 Å²	116	44.3 Å²	44.3	54%	0.542	22%	0.219	S	C	.	.	H	α-helix	trans	-63.6	-50.1	-179.9	-174.9	167.6	-178.3	0	0	111.3	N639 L640 R645 L646 N647	N639-E643 PolarHBondContact O-N 3.42Å; L640-E643 PolarHBondContact O-N 2.95Å; E643-R645 PolarHBondContact O-N 2.93Å; E643-L646 PolarHBondContact O-N 3.24Å; E643-N647 WeakPolarHBondContact CG-ND2 3.5Å; E643-N647 VanDerWaalsContact O-CB 3.31Å; E643-N647 WeakPolarHBondContact O-CB 3.35Å; E643-N647 PolarHBondContact O-N 3.44Å; E643-N647 PolarHBondContact O-ND2 2.99Å
644	W	93.2	Very high	93.2	Very high	20 Å²	20	43.2 Å²	43.2	8%	0.076	21%	0.213	C	C	.	.	H	α-helix	trans	-58.4	-47	176.6	176	89	0	0	0	112	F584 V607 Y609 H618 L620 L640 M641 L646 N647 R648	F584-W644 HydrophobicContact CE2-CZ3 4.32Å; F584-W644 HydrophobicContact CZ-CE3 4.45Å; F584-W644 HydrophobicContact CZ-CZ3 4.31Å; V607-W644 HydrophobicContact CB-CH2 4.18Å; V607-W644 HydrophobicContact CB-CZ2 4.4Å; V607-W644 HydrophobicContact CB-CZ3 4.32Å; V607-W644 HydrophobicContact CG1-CD2 3.7Å; V607-W644 VanDerWaalsContact CG1-CE2 3.44Å; V607-W644 HydrophobicContact CG1-CE3 3.94Å; V607-W644 HydrophobicContact CG1-CG 4.35Å; V607-W644 HydrophobicContact CG1-CH2 3.67Å; V607-W644 HydrophobicContact CG1-CZ2 3.45Å; V607-W644 VanDerWaalsContact CG1-CZ2 3.45Å; V607-W644 HydrophobicContact CG1-CZ3 3.93Å; V607-W644 HydrophobicContact CG2-CE3 4.21Å; V607-W644 HydrophobicContact CG2-CH2 3.4Å; V607-W644 HydrophobicContact CG2-CZ2 4.08Å; V607-W644 HydrophobicContact CG2-CZ3 3.51Å; Y609-W644 AromaticContact CD1-CZ2 3.81Å; Y609-W644 HydrophobicContact CD1-CZ2 3.81Å; Y609-W644 HydrophobicContact CE1-CZ2 4.48Å; Y609-W644 HydrophobicContact CG-CH2 4.35Å; Y609-W644 AromaticContact CG-CZ2 3.94Å; Y609-W644 HydrophobicContact CG-CZ2 3.94Å; H618-W644 AromaticContact CD2-NE1 3.77Å; H618-W644 AromaticContact CE1-CD1 3.63Å; H618-W644 AromaticContact CE1-NE1 3.97Å; H618-W644 AromaticContact CG-NE1 3.57Å; H618-W644 AromaticContact ND1-CD1 3.65Å; H618-W644 AromaticContact ND1-NE1 3.67Å; H618-W644 AromaticContact NE2-CD1 3.91Å; L620-W644 HydrophobicContact CD2-CB 3.96Å; L620-W644 HydrophobicContact CD2-CG 4.07Å; L640-W644 VanDerWaalsContact O-CB 3.26Å; L640-W644 WeakPolarHBondContact O-CB 3.47Å; L640-W644 PolarHBondContact O-N 3.22Å; M641-W644 HydrophobicContact SD-CE3 4.35Å; W644-L646 PolarHBondContact O-N 3.11Å; W644-N647 PolarHBondContact O-N 2.94Å; W644-R648 HydrophobicContact CD2-CB 4.38Å; W644-R648 HydrophobicContact CZ2-CB 4.46Å; W644-R648 VanDerWaalsContact O-CB 3.24Å; W644-R648 WeakPolarHBondContact O-CB 3.31Å; W644-R648 WeakPolarHBondContact O-CG 3.49Å; W644-R648 PolarHBondContact O-N 2.93Å
645	R	91.6	Very high	93.3	Very high	31 Å²	31	47 Å²	47	12%	0.117	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-31.2	-177.7	179.2	60.5	-169.5	87.7	-5.7	112.8	I577 D581 F584 M641 T642 E643	I577-R645 HydrophobicContact CG2-CG 4.43Å; D581-R645 IonicContact OD2-CZ 3.54Å; D581-R645 IonicContact OD2-NE 3.83Å; D581-R645 PolarHBondContact OD2-NE 2.88Å; D581-R645 IonicContact OD2-NH2 2.64Å; D581-R645 PolarHBondContact OD2-NH2 3.49Å; F584-R645 HydrophobicContact CD1-CB 4.03Å; F584-R645 HydrophobicContact CD1-CG 3.68Å; F584-R645 HydrophobicContact CD2-CG 4.49Å; F584-R645 HydrophobicContact CE1-CB 3.47Å; F584-R645 VanDerWaalsContact CE1-CB 3.47Å; F584-R645 HydrophobicContact CE1-CG 3.66Å; F584-R645 HydrophobicContact CG-CG 4.09Å; F584-R645 HydrophobicContact CZ-CB 3.79Å; F584-R645 HydrophobicContact CZ-CG 4.1Å; M641-R645 WeakPolarHBondContact O-CB 3.42Å; M641-R645 PolarHBondContact O-N 3.18Å; T642-R645 PolarHBondContact O-N 3.48Å; E643-R645 PolarHBondContact O-N 2.93Å
646	L	90.2	Very high	93.4	Very high	19 Å²	19	43.7 Å²	43.7	10%	0.099	22%	0.224	C	C	.	.	H	α-helix	trans	-92.7	-14.7	-178.9	-64.6	172.5	0	0	0	113.5	P562 K566 L572 D576 I577 V580 T642 E643 W644	P562-L646 HydrophobicContact CB-CD2 4.42Å; K566-L646 WeakPolarHBondContact CE-O 3.37Å; K566-L646 PolarHBondContact NZ-O 2.98Å; L572-L646 HydrophobicContact CB-CD1 3.81Å; L572-L646 HydrophobicContact CD1-CB 3.84Å; L572-L646 HydrophobicContact CD1-CD1 3.9Å; L572-L646 HydrophobicContact CG-CD1 4.35Å; D576-L646 HydrophobicContact CB-CD1 4.32Å; I577-L646 HydrophobicContact CG1-CD1 4.1Å; I577-L646 HydrophobicContact CG1-CG 4.32Å; V580-L646 HydrophobicContact CB-CD2 4.41Å; V580-L646 HydrophobicContact CG1-CD2 4.46Å; V580-L646 HydrophobicContact CG2-CD2 4.18Å; T642-L646 HydrophobicContact CG2-CD1 4.13Å; T642-L646 WeakPolarHBondContact O-CG 3.3Å; T642-L646 PolarHBondContact O-N 2.82Å; E643-L646 PolarHBondContact O-N 3.24Å; W644-L646 PolarHBondContact O-N 3.11Å
647	N	90.8	Very high	93.4	Very high	40 Å²	40	39.7 Å²	39.7	21%	0.214	21%	0.206	C	C	.	.	H	α-helix	trans	-103.8	-33.9	178	-74.5	-25.4	0	0	0	114.7	K566 E643 W644 G649 V650 E651	K566-N647 VanDerWaalsContact CE-OD1 3.25Å; K566-N647 WeakPolarHBondContact CE-OD1 3.4Å; K566-N647 PolarHBondContact NZ-OD1 3.36Å; E643-N647 WeakPolarHBondContact CG-ND2 3.5Å; E643-N647 VanDerWaalsContact O-CB 3.31Å; E643-N647 WeakPolarHBondContact O-CB 3.35Å; E643-N647 PolarHBondContact O-N 3.44Å; E643-N647 PolarHBondContact O-ND2 2.99Å; W644-N647 PolarHBondContact O-N 2.94Å; N647-G649 PolarHBondContact O-N 3.29Å; N647-V650 WeakPolarHBondContact O-CG2 3.47Å; N647-V650 PolarHBondContact O-N 2.72Å; N647-V650 VanDerWaalsContact O-N 3.15Å; N647-E651 HydrophobicContact CB-CG 4.41Å
648	R	87.7	Confident	93.4	Very high	76 Å²	76	40.7 Å²	40.7	29%	0.287	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	123.2	-166.3	67.9	-177.6	-160.2	-169	5.2	114.5	W644 V650 E651	W644-R648 HydrophobicContact CD2-CB 4.38Å; W644-R648 HydrophobicContact CZ2-CB 4.46Å; W644-R648 VanDerWaalsContact O-CB 3.24Å; W644-R648 WeakPolarHBondContact O-CB 3.31Å; W644-R648 WeakPolarHBondContact O-CG 3.49Å; W644-R648 PolarHBondContact O-N 2.93Å; R648-V650 PolarHBondContact O-N 2.68Å; R648-E651 VanDerWaalsContact CA-OE1 3.26Å; R648-E651 WeakPolarHBondContact CA-OE1 3.46Å
649	G	85.3	Confident	93.4	Very high	37 Å²	37	44.2 Å²	44.2	38%	0.381	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	10.7	173	0	0	0	0	0	115.2	P526 N647 E651 Q653	P526-G649 WeakPolarHBondContact CA-O 3.12Å; N647-G649 PolarHBondContact O-N 3.29Å; G649-E651 WeakPolarHBondContact CA-OE2 3.37Å; G649-E651 PolarHBondContact N-OE1 3.4Å; G649-E651 PolarHBondContact N-OE2 2.83Å; G649-Q653 PolarHBondContact O-NE2 3.03Å; G649-Q653 PolarHBondContact O-OE1 3.24Å
650	V	91.6	Very high	93.5	Very high	17 Å²	17	41.4 Å²	41.4	10%	0.103	22%	0.22	C	C	.	.			trans	-122.3	8.5	176.1	-56.2	0	0	0	0	112.9	I524 P526 N647 R648 Q653 T654	I524-V650 HydrophobicContact CB-CB 4.05Å; I524-V650 HydrophobicContact CB-CG1 3.85Å; I524-V650 HydrophobicContact CG2-CB 3.86Å; I524-V650 HydrophobicContact CG2-CG1 3.66Å; I524-V650 WeakPolarHBondContact O-CG1 3.32Å; P526-V650 HydrophobicContact CB-CG1 4.37Å; P526-V650 HydrophobicContact CG-CG1 4.01Å; N647-V650 WeakPolarHBondContact O-CG2 3.47Å; N647-V650 PolarHBondContact O-N 2.72Å; N647-V650 VanDerWaalsContact O-N 3.15Å; R648-V650 PolarHBondContact O-N 2.68Å; V650-Q653 PolarHBondContact O-OE1 3.46Å; V650-T654 WeakPolarHBondContact O-CB 3.31Å; V650-T654 PolarHBondContact O-N 2.94Å; V650-T654 PolarHBondContact O-OG1 3.45Å
651	E	92	Very high	93.5	Very high	92 Å²	92	39.3 Å²	39.3	43%	0.43	21%	0.209	S	C	.	.	H	α-helix	trans	-67.8	-48.7	-172.7	-57.9	86.9	166.9	0	0	112.4	N647 R648 G649 T654 T655	N647-E651 HydrophobicContact CB-CG 4.41Å; R648-E651 VanDerWaalsContact CA-OE1 3.26Å; R648-E651 WeakPolarHBondContact CA-OE1 3.46Å; G649-E651 WeakPolarHBondContact CA-OE2 3.37Å; G649-E651 PolarHBondContact N-OE1 3.4Å; G649-E651 PolarHBondContact N-OE2 2.83Å; E651-T654 PolarHBondContact O-N 2.85Å; E651-T655 WeakPolarHBondContact O-CB 3.4Å; E651-T655 PolarHBondContact O-N 3.19Å; E651-T655 PolarHBondContact O-OG1 2.97Å
652	E	95	Very high	93.5	Very high	127 Å²	127	41 Å²	41	59%	0.593	22%	0.222	S	C	*	.	H	α-helix	trans	-65	-41.4	178.5	-62.9	-172	166.9	0	0	111.4	L535 T655 A656	L535-E652 HydrophobicContact CD1-CB 4.43Å; L535-E652 HydrophobicContact CD2-CB 3.82Å; E652-T655 PolarHBondContact O-N 2.82Å; E652-A656 WeakPolarHBondContact O-CB 3.26Å; E652-A656 PolarHBondContact O-N 2.95Å
653	Q	95.5	Very high	93.6	Very high	7 Å²	7	42.8 Å²	42.8	3%	0.033	24%	0.235	C	C	.	.	H	α-helix	trans	-65.1	-43.6	178.5	-58.7	91.2	-34	0	0	111.3	I524 S528 L535 F538 G649 V650 T655 A656 F657	I524-Q653 HydrophobicContact CD1-CB 4.07Å; I524-Q653 HydrophobicContact CG2-CB 3.68Å; I524-Q653 HydrophobicContact CG2-CG 3.92Å; S528-Q653 WeakPolarHBondContact OG-CG 3.44Å; S528-Q653 PolarHBondContact OG-NE2 2.93Å; L535-Q653 HydrophobicContact CD2-CG 4.19Å; F538-Q653 HydrophobicContact CD1-CB 4.43Å; F538-Q653 HydrophobicContact CD2-CB 3.58Å; F538-Q653 HydrophobicContact CD2-CG 3.68Å; F538-Q653 HydrophobicContact CE1-CB 4.43Å; F538-Q653 HydrophobicContact CE2-CB 3.59Å; F538-Q653 HydrophobicContact CE2-CG 3.36Å; F538-Q653 HydrophobicContact CG-CB 4.05Å; F538-Q653 HydrophobicContact CZ-CB 4.04Å; F538-Q653 HydrophobicContact CZ-CG 4.05Å; G649-Q653 PolarHBondContact O-NE2 3.03Å; G649-Q653 PolarHBondContact O-OE1 3.24Å; V650-Q653 PolarHBondContact O-OE1 3.46Å; Q653-T655 VanDerWaalsContact C-N 3.35Å; Q653-A656 PolarHBondContact O-N 2.98Å; Q653-F657 WeakPolarHBondContact O-CB 3.41Å; Q653-F657 PolarHBondContact O-N 2.82Å
654	T	94.6	Very high	93.8	Very high	13 Å²	13	37.3 Å²	37.3	8%	0.08	21%	0.209	C	C	.	.	H	α-helix	trans	-63.4	-41.9	174.4	-60.9	0	0	0	0	110.7	K566 V650 E651 F657 F658	K566-T654 HydrophobicContact CD-CG2 4.27Å; V650-T654 WeakPolarHBondContact O-CB 3.31Å; V650-T654 PolarHBondContact O-N 2.94Å; V650-T654 PolarHBondContact O-OG1 3.45Å; E651-T654 PolarHBondContact O-N 2.85Å; T654-F657 PolarHBondContact O-N 3.24Å; T654-F658 HydrophobicContact CG2-CD2 3.67Å; T654-F658 HydrophobicContact CG2-CE2 3.33Å; T654-F658 HydrophobicContact CG2-CZ 4.29Å; T654-F658 WeakPolarHBondContact O-CD2 3.49Å; T654-F658 PolarHBondContact O-N 3.27Å
655	T	95.8	Very high	93.7	Very high	95 Å²	95	36.3 Å²	36.3	58%	0.583	21%	0.205	S	C	*	.	H	α-helix	trans	-65.7	-44.6	177.5	-57.8	0	0	0	0	111.6	E651 E652 Q653 F658 S659	E651-T655 WeakPolarHBondContact O-CB 3.4Å; E651-T655 PolarHBondContact O-N 3.19Å; E651-T655 PolarHBondContact O-OG1 2.97Å; E652-T655 PolarHBondContact O-N 2.82Å; Q653-T655 VanDerWaalsContact C-N 3.35Å; T655-F658 PolarHBondContact O-N 2.87Å; T655-S659 VanDerWaalsContact O-CB 3.29Å; T655-S659 WeakPolarHBondContact O-CB 3.38Å; T655-S659 PolarHBondContact O-N 3.3Å
656	A	97.5	Very high	93.8	Very high	12 Å²	12	37.1 Å²	37.1	10%	0.099	22%	0.215	C	C	.	.	H	α-helix	trans	-61.6	-43.7	175.2	0	0	0	0	0	111.8	L535 F538 T539 E652 Q653 S659 G660	L535-A656 HydrophobicContact CB-CB 4.22Å; L535-A656 HydrophobicContact CD2-CB 4.29Å; L535-A656 WeakPolarHBondContact O-CB 3.43Å; F538-A656 HydrophobicContact CB-CB 3.98Å; T539-A656 WeakPolarHBondContact CA-O 3.31Å; E652-A656 WeakPolarHBondContact O-CB 3.26Å; E652-A656 PolarHBondContact O-N 2.95Å; Q653-A656 PolarHBondContact O-N 2.98Å; A656-S659 PolarHBondContact O-N 2.86Å; A656-G660 PolarHBondContact O-N 3.29Å
657	F	96.2	Very high	93.8	Very high	1 Å²	1	37 Å²	37	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-58.4	-52.2	173.5	178.4	-79.2	0	0	0	111.8	F538 I541 G542 I545 F559 F563 Q653 T654 S659 G660 F661	F538-F657 HydrophobicContact CB-CB 4.44Å; F538-F657 WeakPolarHBondContact O-CA 3.45Å; I541-F657 HydrophobicContact CG2-CD2 4.14Å; I541-F657 HydrophobicContact CG2-CE2 3.91Å; G542-F657 WeakPolarHBondContact CA-O 3.5Å; I545-F657 HydrophobicContact CB-CE2 4.47Å; I545-F657 HydrophobicContact CB-CZ 4.15Å; I545-F657 HydrophobicContact CG1-CE2 4.01Å; I545-F657 HydrophobicContact CG1-CZ 4.1Å; I545-F657 HydrophobicContact CG2-CZ 4.18Å; F559-F657 HydrophobicContact CE2-CE2 4.35Å; F559-F657 HydrophobicContact CE2-CZ 4.21Å; F559-F657 AromaticContact CZ-CE2 3.91Å; F559-F657 HydrophobicContact CZ-CE2 3.91Å; F559-F657 HydrophobicContact CZ-CZ 4.24Å; F563-F657 HydrophobicContact CE1-CD1 4.38Å; F563-F657 AromaticContact CE1-CE1 3.79Å; F563-F657 HydrophobicContact CE1-CE1 3.79Å; F563-F657 HydrophobicContact CE1-CE2 4.29Å; F563-F657 AromaticContact CE1-CZ 3.73Å; F563-F657 HydrophobicContact CE1-CZ 3.73Å; F563-F657 AromaticContact CZ-CD1 3.73Å; F563-F657 HydrophobicContact CZ-CD1 3.73Å; F563-F657 HydrophobicContact CZ-CD2 4.12Å; F563-F657 AromaticContact CZ-CE1 3.59Å; F563-F657 HydrophobicContact CZ-CE1 3.59Å; F563-F657 AromaticContact CZ-CE2 3.94Å; F563-F657 HydrophobicContact CZ-CE2 3.94Å; F563-F657 HydrophobicContact CZ-CG 4.02Å; F563-F657 AromaticContact CZ-CZ 3.7Å; F563-F657 HydrophobicContact CZ-CZ 3.7Å; Q653-F657 WeakPolarHBondContact O-CB 3.41Å; Q653-F657 PolarHBondContact O-N 2.82Å; T654-F657 PolarHBondContact O-N 3.24Å; F657-S659 VanDerWaalsContact C-N 3.34Å; F657-S659 PolarHBondContact O-N 2.82Å; F657-G660 PolarHBondContact O-N 3.33Å; F657-F661 HydrophobicContact CE1-CB 4.49Å; F657-F661 HydrophobicContact CE1-CD2 4.13Å; F657-F661 HydrophobicContact CZ-CD2 4.45Å; F657-F661 WeakPolarHBondContact O-CB 3.41Å; F657-F661 PolarHBondContact O-N 2.75Å
658	F	95.6	Very high	93.7	Very high	32 Å²	32	39 Å²	39	14%	0.14	22%	0.222	C	C	.	.	H	α-helix	trans	-70.8	-28.1	-177.9	-68.4	-44.3	0	0	0	113.4	F563 K566 M567 T654 T655 S662 L667	F563-F658 HydrophobicContact CZ-CZ 4.46Å; K566-F658 HydrophobicContact CB-CE2 4.15Å; K566-F658 HydrophobicContact CB-CZ 4.16Å; M567-F658 HydrophobicContact CB-CE1 3.55Å; M567-F658 HydrophobicContact CB-CZ 3.79Å; M567-F658 HydrophobicContact CG-CD1 4.21Å; M567-F658 HydrophobicContact CG-CE1 3.51Å; M567-F658 HydrophobicContact CG-CZ 4.26Å; M567-F658 HydrophobicContact SD-CE1 4.04Å; T654-F658 HydrophobicContact CG2-CD2 3.67Å; T654-F658 HydrophobicContact CG2-CE2 3.33Å; T654-F658 HydrophobicContact CG2-CZ 4.29Å; T654-F658 WeakPolarHBondContact O-CD2 3.49Å; T654-F658 PolarHBondContact O-N 3.27Å; T655-F658 PolarHBondContact O-N 2.87Å; F658-S662 WeakPolarHBondContact O-CB 3.29Å; F658-S662 PolarHBondContact O-N 2.86Å; F658-S662 PolarHBondContact O-OG 2.86Å; F658-L667 HydrophobicContact CD1-CD1 4.49Å
659	S	96.1	Very high	93.9	Very high	74 Å²	74	37.4 Å²	37.4	52%	0.517	22%	0.216	S	C	.	.	H	α-helix	trans	-62.8	-49.2	168.2	179.3	0	0	0	0	111.3	T655 A656 F657 F661 S663	T655-S659 VanDerWaalsContact O-CB 3.29Å; T655-S659 WeakPolarHBondContact O-CB 3.38Å; T655-S659 PolarHBondContact O-N 3.3Å; A656-S659 PolarHBondContact O-N 2.86Å; F657-S659 VanDerWaalsContact C-N 3.34Å; F657-S659 PolarHBondContact O-N 2.82Å; S659-F661 PolarHBondContact O-N 2.74Å; S659-S663 WeakPolarHBondContact O-CB 3.47Å; S659-S663 PolarHBondContact O-N 3.17Å; S659-S663 VanDerWaalsContact O-N 3.08Å
660	G	96.7	Very high	94.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-56	-50.5	174.2	0	0	0	0	0	112.8	T539 R543 A656 F657 S663	T539-G660 VanDerWaalsContact O-CA 3.32Å; T539-G660 WeakPolarHBondContact O-CA 3.22Å; R543-G660 VanDerWaalsContact CG-O 3.24Å; R543-G660 WeakPolarHBondContact CG-O 3.45Å; A656-G660 PolarHBondContact O-N 3.29Å; F657-G660 PolarHBondContact O-N 3.33Å; G660-S663 PolarHBondContact O-OG 3.31Å
661	F	96.1	Very high	93.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.7	-56.7	178.2	-172.2	-70.6	0	0	0	111.8	G542 I545 A546 L549 M567 F657 S659 S663 V664 F665 L667 L670	G542-F661 WeakPolarHBondContact O-CA 3.48Å; I545-F661 HydrophobicContact CG2-CD2 4.23Å; I545-F661 HydrophobicContact CG2-CE2 4Å; A546-F661 HydrophobicContact CB-CB 4.47Å; A546-F661 HydrophobicContact CB-CD1 4.17Å; A546-F661 HydrophobicContact CB-CD2 3.87Å; A546-F661 HydrophobicContact CB-CE1 4.35Å; A546-F661 HydrophobicContact CB-CE2 4.11Å; A546-F661 HydrophobicContact CB-CG 3.91Å; A546-F661 HydrophobicContact CB-CZ 4.33Å; L549-F661 HydrophobicContact CD1-CE2 3.69Å; L549-F661 HydrophobicContact CD1-CZ 3.58Å; M567-F661 HydrophobicContact CE-CE2 4.36Å; M567-F661 HydrophobicContact CE-CZ 4.46Å; M567-F661 HydrophobicContact SD-CD2 4.08Å; M567-F661 HydrophobicContact SD-CE2 3.58Å; M567-F661 VanDerWaalsContact SD-CE2 3.58Å; M567-F661 HydrophobicContact SD-CZ 3.92Å; F657-F661 HydrophobicContact CE1-CB 4.49Å; F657-F661 HydrophobicContact CE1-CD2 4.13Å; F657-F661 HydrophobicContact CZ-CD2 4.45Å; F657-F661 WeakPolarHBondContact O-CB 3.41Å; F657-F661 PolarHBondContact O-N 2.75Å; S659-F661 PolarHBondContact O-N 2.74Å; F661-S663 PolarHBondContact O-N 3.37Å; F661-V664 PolarHBondContact O-N 3.3Å; F661-F665 HydrophobicContact CE1-CE1 4.12Å; F661-F665 AromaticContact CE1-CE2 3.91Å; F661-F665 HydrophobicContact CE1-CE2 3.91Å; F661-F665 AromaticContact CE1-CZ 3.68Å; F661-F665 HydrophobicContact CE1-CZ 3.68Å; F661-F665 HydrophobicContact CZ-CE1 4.1Å; F661-F665 HydrophobicContact CZ-CE2 4.22Å; F661-F665 AromaticContact CZ-CZ 3.6Å; F661-F665 HydrophobicContact CZ-CZ 3.6Å; F661-F665 PolarHBondContact O-N 2.92Å; F661-L667 HydrophobicContact CD1-CD2 3.62Å; F661-L667 HydrophobicContact CD1-CG 4.19Å; F661-L667 HydrophobicContact CE1-CD2 3.51Å; F661-L667 HydrophobicContact CE1-CG 4.3Å; F661-L667 HydrophobicContact CG-CD2 4.43Å; F661-L667 HydrophobicContact CZ-CD2 4.19Å; F661-L670 HydrophobicContact CE1-CD1 4.46Å; F661-L670 HydrophobicContact CZ-CD1 3.94Å
662	S	95.5	Very high	93.6	Very high	47 Å²	47	42.5 Å²	42.5	33%	0.329	22%	0.224	S	C	.	.	H	α-helix	trans	-63.4	-26.5	-174.2	-54.6	0	0	0	0	112.4	F658 V664 F665	F658-S662 WeakPolarHBondContact O-CB 3.29Å; F658-S662 PolarHBondContact O-N 2.86Å; F658-S662 PolarHBondContact O-OG 2.86Å; S662-V664 PolarHBondContact O-N 3.46Å; S662-F665 WeakPolarHBondContact CA-O 3.25Å; S662-F665 CarbonylContact O-C 3.52Å
663	S	95.9	Very high	93.3	Very high	43 Å²	43	36.9 Å²	36.9	30%	0.301	20%	0.197	S	C	.	.	H	α-helix	trans	-62	-32	173.2	82.5	0	0	0	0	112.8	S470 S659 G660 F661	S470-S663 VanDerWaalsContact CB-C 3.46Å; S470-S663 WeakPolarHBondContact CB-O 3.37Å; S470-S663 WeakPolarHBondContact OG-CB 3.39Å; S470-S663 PolarHBondContact OG-OG 2.88Å; S659-S663 WeakPolarHBondContact O-CB 3.47Å; S659-S663 PolarHBondContact O-N 3.17Å; S659-S663 VanDerWaalsContact O-N 3.08Å; G660-S663 PolarHBondContact O-OG 3.31Å; F661-S663 PolarHBondContact O-N 3.37Å
664	V	95.9	Very high	93	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-80.9	-50.9	178.7	-177.1	0	0	0	0	110.4	L473 R474 R543 A546 M547 F661 S662	L473-V664 HydrophobicContact CD1-CG2 4.15Å; R474-V664 PolarHBondContact NE-O 3.47Å; R474-V664 PolarHBondContact NH2-O 2.81Å; R543-V664 HydrophobicContact CB-CG2 3.97Å; R543-V664 HydrophobicContact CG-CG2 3.91Å; A546-V664 HydrophobicContact CB-CB 3.67Å; A546-V664 HydrophobicContact CB-CG1 4.05Å; A546-V664 HydrophobicContact CB-CG2 4.1Å; M547-V664 HydrophobicContact CG-CG1 4.47Å; F661-V664 PolarHBondContact O-N 3.3Å; S662-V664 PolarHBondContact O-N 3.46Å
665	F	92.9	Very high	92.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-152.6	154.4	168.3	72.6	-92.6	0	0	0	112	F435 A546 L549 F550 F661 S662 W669 L670	F435-F665 HydrophobicContact CE2-CD2 4.5Å; F435-F665 AromaticContact CE2-CE2 3.8Å; F435-F665 HydrophobicContact CE2-CE2 3.8Å; F435-F665 HydrophobicContact CE2-CZ 4.03Å; F435-F665 HydrophobicContact CZ-CE1 4.41Å; F435-F665 HydrophobicContact CZ-CE2 4.07Å; F435-F665 AromaticContact CZ-CZ 3.8Å; F435-F665 HydrophobicContact CZ-CZ 3.8Å; A546-F665 HydrophobicContact CB-CD1 4.04Å; A546-F665 HydrophobicContact CB-CE1 3.83Å; A546-F665 WeakPolarHBondContact O-CE1 3.44Å; L549-F665 HydrophobicContact CB-CE1 4.08Å; L549-F665 HydrophobicContact CB-CZ 4.11Å; L549-F665 HydrophobicContact CD1-CZ 4.06Å; F550-F665 HydrophobicContact CB-CD1 4.33Å; F550-F665 HydrophobicContact CB-CE1 4.45Å; F550-F665 HydrophobicContact CD2-CB 4.49Å; F550-F665 HydrophobicContact CD2-CD1 4.16Å; F661-F665 HydrophobicContact CE1-CE1 4.12Å; F661-F665 AromaticContact CE1-CE2 3.91Å; F661-F665 HydrophobicContact CE1-CE2 3.91Å; F661-F665 AromaticContact CE1-CZ 3.68Å; F661-F665 HydrophobicContact CE1-CZ 3.68Å; F661-F665 HydrophobicContact CZ-CE1 4.1Å; F661-F665 HydrophobicContact CZ-CE2 4.22Å; F661-F665 AromaticContact CZ-CZ 3.6Å; F661-F665 HydrophobicContact CZ-CZ 3.6Å; F661-F665 PolarHBondContact O-N 2.92Å; S662-F665 WeakPolarHBondContact CA-O 3.25Å; S662-F665 CarbonylContact O-C 3.52Å; F665-W669 HydrophobicContact CB-CD2 4.5Å; F665-W669 HydrophobicContact CB-CE3 3.99Å; F665-W669 HydrophobicContact CB-CH2 4.18Å; F665-W669 HydrophobicContact CB-CZ3 3.82Å; F665-W669 HydrophobicContact CD2-CB 4.11Å; F665-W669 HydrophobicContact CD2-CD2 4.08Å; F665-W669 AromaticContact CD2-CE3 3.7Å; F665-W669 HydrophobicContact CD2-CE3 3.7Å; F665-W669 HydrophobicContact CD2-CG 4.3Å; F665-W669 HydrophobicContact CD2-CZ3 4.35Å; F665-W669 HydrophobicContact CE2-CB 4.27Å; F665-W669 HydrophobicContact CG-CE3 4.05Å; F665-W669 HydrophobicContact CG-CZ3 4.24Å; F665-L670 HydrophobicContact CE2-CD1 4.48Å; F665-L670 HydrophobicContact CE2-CD2 4.37Å; F665-L670 HydrophobicContact CE2-CG 4.16Å
666	P	91.8	Very high	92.4	Very high	48 Å²	48	35 Å²	35	31%	0.312	18%	0.18	S	C	.	.			trans	-65.8	138.9	-176.5	-18.4	32.1	0	0	0	112.9	E668 W669	P666-E668 VanDerWaalsContact CB-OE2 3.23Å; P666-E668 WeakPolarHBondContact CB-OE2 3.33Å; P666-E668 PolarHBondContact O-N 3.36Å; P666-E668 VanDerWaalsContact O-N 3.16Å; P666-W669 PolarHBondContact O-N 2.74Å; P666-W669 VanDerWaalsContact O-N 3.14Å
667	L	90.4	Very high	92.1	Very high	17 Å²	17	34.6 Å²	34.6	9%	0.089	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-58.8	-28.1	177.5	-75.5	167.2	0	0	0	112.6	M567 F658 F661 W669 L670	M567-L667 HydrophobicContact CG-CD2 3.45Å; M567-L667 VanDerWaalsContact CG-CD2 3.45Å; M567-L667 HydrophobicContact SD-CD2 4.29Å; F658-L667 HydrophobicContact CD1-CD1 4.49Å; F661-L667 HydrophobicContact CD1-CD2 3.62Å; F661-L667 HydrophobicContact CD1-CG 4.19Å; F661-L667 HydrophobicContact CE1-CD2 3.51Å; F661-L667 HydrophobicContact CE1-CG 4.3Å; F661-L667 HydrophobicContact CG-CD2 4.43Å; F661-L667 HydrophobicContact CZ-CD2 4.19Å; L667-W669 PolarHBondContact O-N 3.35Å; L667-W669 VanDerWaalsContact O-N 3.13Å; L667-L670 WeakPolarHBondContact O-CB 3.48Å; L667-L670 PolarHBondContact O-N 3.23Å
668	E	90.1	Very high	91.9	Very high	81 Å²	81	34.6 Å²	34.6	38%	0.379	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-57.7	-23.8	177.9	-66.1	67.5	-151.2	0	0	112.7	R569 P666 L670 Q671	R569-E668 IonicContact CZ-OE1 3.65Å; R569-E668 IonicContact NH1-OE1 2.74Å; R569-E668 PolarHBondContact NH1-OE1 2.91Å; R569-E668 IonicContact NH2-OE1 3.4Å; R569-E668 PolarHBondContact NH2-OE1 2.81Å; P666-E668 VanDerWaalsContact CB-OE2 3.23Å; P666-E668 WeakPolarHBondContact CB-OE2 3.33Å; P666-E668 PolarHBondContact O-N 3.36Å; P666-E668 VanDerWaalsContact O-N 3.16Å; E668-L670 PolarHBondContact O-N 2.74Å; E668-Q671 WeakPolarHBondContact O-CB 3.47Å; E668-Q671 WeakPolarHBondContact O-CG 3.46Å; E668-Q671 PolarHBondContact O-N 2.75Å; E668-Q671 PolarHBondContact O-OE1 2.93Å
669	W	91.8	Very high	91.7	Very high	43 Å²	43	33.1 Å²	33.1	16%	0.163	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-68.6	-15.5	173.4	-68	10.7	0	0	0	113.5	F435 L438 N442 F550 F665 P666 L667	F435-W669 HydrophobicContact CD2-CB 4.35Å; F435-W669 HydrophobicContact CE2-CB 4.22Å; F435-W669 HydrophobicContact CE2-CE3 4.44Å; L438-W669 HydrophobicContact CB-CD2 4.38Å; L438-W669 HydrophobicContact CB-CE3 4.15Å; L438-W669 HydrophobicContact CB-CZ3 4.43Å; L438-W669 HydrophobicContact CD1-CB 4.43Å; L438-W669 HydrophobicContact CD1-CD2 4.47Å; L438-W669 HydrophobicContact CD1-CG 4.25Å; N442-W669 HydrophobicContact CB-CH2 3.52Å; N442-W669 HydrophobicContact CB-CZ2 4.28Å; N442-W669 HydrophobicContact CB-CZ3 4.38Å; N442-W669 VanDerWaalsContact CG-CH2 3.44Å; F550-W669 HydrophobicContact CD2-CZ3 4.28Å; F550-W669 HydrophobicContact CE2-CH2 4.4Å; F550-W669 AromaticContact CE2-CZ3 3.96Å; F550-W669 HydrophobicContact CE2-CZ3 3.96Å; F665-W669 HydrophobicContact CB-CD2 4.5Å; F665-W669 HydrophobicContact CB-CE3 3.99Å; F665-W669 HydrophobicContact CB-CH2 4.18Å; F665-W669 HydrophobicContact CB-CZ3 3.82Å; F665-W669 HydrophobicContact CD2-CB 4.11Å; F665-W669 HydrophobicContact CD2-CD2 4.08Å; F665-W669 AromaticContact CD2-CE3 3.7Å; F665-W669 HydrophobicContact CD2-CE3 3.7Å; F665-W669 HydrophobicContact CD2-CG 4.3Å; F665-W669 HydrophobicContact CD2-CZ3 4.35Å; F665-W669 HydrophobicContact CE2-CB 4.27Å; F665-W669 HydrophobicContact CG-CE3 4.05Å; F665-W669 HydrophobicContact CG-CZ3 4.24Å; P666-W669 PolarHBondContact O-N 2.74Å; P666-W669 VanDerWaalsContact O-N 3.14Å; L667-W669 PolarHBondContact O-N 3.35Å; L667-W669 VanDerWaalsContact O-N 3.13Å
670	L	91	Very high	91.4	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-95.9	-1.3	176.7	-59.3	-179.3	0	0	0	113.6	F435 L549 M567 L568 F661 F665 L667 E668 Y672 F673 I678 L681	F435-L670 HydrophobicContact CD2-CD2 3.92Å; F435-L670 HydrophobicContact CE2-CD2 3.52Å; F435-L670 HydrophobicContact CZ-CD2 3.96Å; L549-L670 HydrophobicContact CD1-CD1 4.23Å; M567-L670 HydrophobicContact CE-CD1 3.92Å; L568-L670 HydrophobicContact CD2-CB 4.29Å; L568-L670 WeakPolarHBondContact CD2-O 3.13Å; F661-L670 HydrophobicContact CE1-CD1 4.46Å; F661-L670 HydrophobicContact CZ-CD1 3.94Å; F665-L670 HydrophobicContact CE2-CD1 4.48Å; F665-L670 HydrophobicContact CE2-CD2 4.37Å; F665-L670 HydrophobicContact CE2-CG 4.16Å; L667-L670 WeakPolarHBondContact O-CB 3.48Å; L667-L670 PolarHBondContact O-N 3.23Å; E668-L670 PolarHBondContact O-N 2.74Å; L670-Y672 PolarHBondContact O-N 3.27Å; L670-F673 HydrophobicContact CB-CD2 4.31Å; L670-F673 HydrophobicContact CD2-CD2 3.86Å; L670-F673 HydrophobicContact CD2-CE2 3.98Å; L670-F673 PolarHBondContact O-N 3.35Å; L670-I678 HydrophobicContact CB-CD1 4.28Å; L670-I678 HydrophobicContact CD1-CD1 4.11Å; L670-L681 HydrophobicContact CD2-CD2 4.24Å
671	Q	85.6	Confident	91.2	Very high	119 Å²	119	29.7 Å²	29.7	56%	0.556	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-18.2	-171.6	73.4	-173.7	10.3	0	0	115.7	E668	E668-Q671 WeakPolarHBondContact O-CB 3.47Å; E668-Q671 WeakPolarHBondContact O-CG 3.46Å; E668-Q671 PolarHBondContact O-N 2.75Å; E668-Q671 PolarHBondContact O-OE1 2.93Å
672	Y	84.8	Confident	91	Very high	133 Å²	133	29.7 Å²	29.7	52%	0.522	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-15	178.2	-58.6	-66.2	0	0	0	113.7	K431 L670	K431-Y672 VanDerWaalsContact CD-O 3.26Å; K431-Y672 WeakPolarHBondContact CD-O 3.48Å; K431-Y672 WeakPolarHBondContact CE-O 3.32Å; K431-Y672 PolarHBondContact NZ-O 3.4Å; L670-Y672 PolarHBondContact O-N 3.27Å
673	F	90.1	Very high	90.6	Very high	8 Å²	8	27.5 Å²	27.5	4%	0.035	13%	0.13	C	C	.	.	S	Bend	trans	-90.2	148.3	179.2	-61.7	-72.8	0	0	0	111.5	F428 K431 I432 F435 L568 L670 E677 I678 L681	F428-F673 HydrophobicContact CD2-CD1 4.07Å; F428-F673 AromaticContact CD2-CE1 3.99Å; F428-F673 HydrophobicContact CD2-CE1 3.99Å; F428-F673 HydrophobicContact CE2-CD1 4Å; F428-F673 AromaticContact CE2-CE1 3.9Å; F428-F673 HydrophobicContact CE2-CE1 3.9Å; K431-F673 HydrophobicContact CB-CD1 3.87Å; K431-F673 HydrophobicContact CB-CE1 3.37Å; K431-F673 HydrophobicContact CB-CZ 3.92Å; K431-F673 HydrophobicContact CD-CD1 3.98Å; K431-F673 HydrophobicContact CD-CE1 4.34Å; K431-F673 HydrophobicContact CG-CE1 4.49Å; K431-F673 WeakPolarHBondContact O-CZ 3.46Å; I432-F673 HydrophobicContact CG1-CE1 4.12Å; I432-F673 HydrophobicContact CG1-CZ 4.41Å; F435-F673 HydrophobicContact CB-CE2 3.8Å; F435-F673 HydrophobicContact CB-CZ 3.76Å; F435-F673 HydrophobicContact CD2-CE2 4.19Å; F435-F673 AromaticContact CG-CE2 3.95Å; F435-F673 HydrophobicContact CG-CE2 3.95Å; F435-F673 HydrophobicContact CG-CZ 4.24Å; L568-F673 VanDerWaalsContact CD1-O 3.28Å; L568-F673 WeakPolarHBondContact CD1-O 3.43Å; L670-F673 HydrophobicContact CB-CD2 4.31Å; L670-F673 HydrophobicContact CD2-CD2 3.86Å; L670-F673 HydrophobicContact CD2-CE2 3.98Å; L670-F673 PolarHBondContact O-N 3.35Å; F673-E677 WeakPolarHBondContact CA-OE2 3.24Å; F673-E677 HydrophobicContact CB-CB 4.12Å; F673-E677 HydrophobicContact CD1-CB 3.98Å; F673-I678 HydrophobicContact CB-CD1 4.48Å; F673-I678 HydrophobicContact CB-CG1 3.86Å; F673-L681 HydrophobicContact CD2-CD2 4.33Å; F673-L681 HydrophobicContact CE1-CD2 4.44Å; F673-L681 HydrophobicContact CE2-CD2 3.88Å; F673-L681 HydrophobicContact CZ-CD2 3.93Å
674	D	89.7	Confident	90.2	Very high	21 Å²	21	25.5 Å²	25.5	11%	0.112	12%	0.117	C	C	.	.			trans	-86	169.4	163.6	69.7	63	0	0	0	111.8	R676 E677 I678 R726 E798	D674-R676 PolarHBondContact O-N 2.93Å; D674-R676 VanDerWaalsContact OD1-CA 3.31Å; D674-R676 WeakPolarHBondContact OD1-CA 3.41Å; D674-R676 WeakPolarHBondContact OD1-CB 3.35Å; D674-R676 PolarHBondContact OD1-N 3.35Å; D674-E677 PolarHBondContact N-OE2 3.37Å; D674-E677 PolarHBondContact O-N 2.91Å; D674-E677 PolarHBondContact OD1-N 2.73Å; D674-E677 VanDerWaalsContact OD2-CG 3.25Å; D674-E677 WeakPolarHBondContact OD2-CG 3.46Å; D674-I678 WeakPolarHBondContact O-CG1 3.46Å; D674-I678 PolarHBondContact O-N 3.35Å; D674-R726 IonicContact OD2-NH1 2.74Å; D674-E798 VanDerWaalsContact CB-OE1 3.27Å; D674-E798 WeakPolarHBondContact CB-OE1 3.38Å
675	E	88.8	Confident	89.6	Confident	13 Å²	13	25.7 Å²	25.7	6%	0.061	12%	0.118	C	C	.	.	H	α-helix	trans	-60.7	-26.2	-178.4	54.4	-89.5	-157	0	0	114.1	M561 K565 L568 K570 E679	M561-E675 HydrophobicContact SD-CG 4.22Å; K565-E675 WeakPolarHBondContact CE-OE1 3.06Å; K565-E675 HydrophobicContact CG-CB 4.08Å; K565-E675 HydrophobicContact CG-CG 3.95Å; K565-E675 IonicContact NZ-OE1 3.58Å; L568-E675 HydrophobicContact CD1-CB 4.45Å; K570-E675 WeakPolarHBondContact CD-OE2 3.21Å; K570-E675 IonicContact NZ-OE2 3.5Å; K570-E675 PolarHBondContact NZ-OE2 2.75Å; E675-E679 PolarHBondContact O-N 3.03Å
676	R	88.2	Confident	89.2	Confident	42 Å²	42	27.3 Å²	27.3	16%	0.158	13%	0.125	C	C	.	.	H	α-helix	trans	-83.6	-40.8	177.6	-58.1	177.3	176.7	166.2	2.4	111	M561 D674 I678 E679 L680 Q729 T797	M561-R676 HydrophobicContact CE-CG 4Å; M561-R676 HydrophobicContact SD-CG 3.94Å; D674-R676 PolarHBondContact O-N 2.93Å; D674-R676 VanDerWaalsContact OD1-CA 3.31Å; D674-R676 WeakPolarHBondContact OD1-CA 3.41Å; D674-R676 WeakPolarHBondContact OD1-CB 3.35Å; D674-R676 PolarHBondContact OD1-N 3.35Å; R676-I678 PolarHBondContact O-N 2.97Å; R676-E679 WeakPolarHBondContact O-CB 3.37Å; R676-E679 PolarHBondContact O-N 3.17Å; R676-E679 VanDerWaalsContact O-N 3.11Å; R676-L680 VanDerWaalsContact O-CG 3.32Å; R676-L680 WeakPolarHBondContact O-CG 3.25Å; R676-L680 PolarHBondContact O-N 3.18Å; R676-Q729 PolarHBondContact O-NE2 2.89Å; R676-T797 PolarHBondContact NH1-OG1 2.63Å; R676-T797 PolarHBondContact NH2-OG1 3.41Å; R676-T797 VanDerWaalsContact NH2-OG1 3.16Å
677	E	90.7	Very high	89	Confident	4 Å²	4	32.3 Å²	32.3	2%	0.019	14%	0.144	C	C	.	.	H	α-helix	trans	-61.1	-33.5	171.6	-77	-178.9	165.7	0	0	111.7	F428 K431 F673 D674 L680 L681 R726	F428-E677 HydrophobicContact CD2-CB 3.77Å; F428-E677 HydrophobicContact CD2-CG 3.5Å; F428-E677 HydrophobicContact CE2-CB 3.57Å; F428-E677 HydrophobicContact CE2-CG 3.8Å; F428-E677 WeakPolarHBondContact CE2-O 3.33Å; F428-E677 HydrophobicContact CG-CG 4.1Å; F428-E677 HydrophobicContact CZ-CB 4.41Å; K431-E677 WeakPolarHBondContact CD-OE2 3.44Å; K431-E677 WeakPolarHBondContact CE-OE2 3.4Å; K431-E677 VanDerWaalsContact NZ-CD 3.33Å; K431-E677 IonicContact NZ-OE1 2.9Å; K431-E677 PolarHBondContact NZ-OE1 3.24Å; K431-E677 IonicContact NZ-OE2 3.53Å; K431-E677 PolarHBondContact NZ-OE2 3.03Å; F673-E677 WeakPolarHBondContact CA-OE2 3.24Å; F673-E677 HydrophobicContact CB-CB 4.12Å; F673-E677 HydrophobicContact CD1-CB 3.98Å; D674-E677 PolarHBondContact N-OE2 3.37Å; D674-E677 PolarHBondContact O-N 2.91Å; D674-E677 PolarHBondContact OD1-N 2.73Å; D674-E677 VanDerWaalsContact OD2-CG 3.25Å; D674-E677 WeakPolarHBondContact OD2-CG 3.46Å; E677-L680 PolarHBondContact O-N 3.18Å; E677-L681 VanDerWaalsContact O-CB 3.23Å; E677-L681 WeakPolarHBondContact O-CB 3.39Å; E677-L681 PolarHBondContact O-N 2.83Å; E677-R726 IonicContact OE1-CZ 3.16Å; E677-R726 IonicContact OE1-NH1 3.21Å; E677-R726 PolarHBondContact OE1-NH1 3.16Å; E677-R726 IonicContact OE1-NH2 2.71Å; E677-R726 PolarHBondContact OE1-NH2 2.84Å
678	I	92.3	Very high	89	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-66.2	-44.6	168.9	-74.1	-179.3	0	0	0	111.8	Y564 M567 L568 L670 F673 D674 R676 L680 L681 L682	Y564-I678 HydrophobicContact CD1-CG2 3.46Å; Y564-I678 VanDerWaalsContact CD1-CG2 3.46Å; Y564-I678 HydrophobicContact CE1-CG2 3.86Å; Y564-I678 HydrophobicContact CG-CG2 4.05Å; M567-I678 HydrophobicContact CE-CD1 3.94Å; M567-I678 HydrophobicContact CE-CG2 3.48Å; M567-I678 VanDerWaalsContact CE-CG2 3.48Å; L568-I678 HydrophobicContact CD1-CD1 3.67Å; L568-I678 HydrophobicContact CD2-CD1 3.7Å; L568-I678 HydrophobicContact CG-CD1 3.54Å; L670-I678 HydrophobicContact CB-CD1 4.28Å; L670-I678 HydrophobicContact CD1-CD1 4.11Å; F673-I678 HydrophobicContact CB-CD1 4.48Å; F673-I678 HydrophobicContact CB-CG1 3.86Å; D674-I678 WeakPolarHBondContact O-CG1 3.46Å; D674-I678 PolarHBondContact O-N 3.35Å; R676-I678 PolarHBondContact O-N 2.97Å; I678-L680 VanDerWaalsContact C-N 3.3Å; I678-L680 PolarHBondContact O-N 2.89Å; I678-L681 PolarHBondContact O-N 3.34Å; I678-L682 VanDerWaalsContact O-CB 3.27Å; I678-L682 WeakPolarHBondContact O-CB 3.4Å; I678-L682 PolarHBondContact O-N 3.37Å
679	E	91.3	Very high	89.1	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-57.9	-45.4	173.9	-168.6	-165.2	-153.9	0	0	110.7	M561 Y564 E675 R676 L681 L682 C683 Q729 T734 C735 R736	M561-E679 HydrophobicContact CE-CB 4.33Å; M561-E679 VanDerWaalsContact CE-OE2 3.23Å; M561-E679 WeakPolarHBondContact CE-OE2 3.44Å; Y564-E679 HydrophobicContact CD2-CB 4.24Å; Y564-E679 HydrophobicContact CE2-CB 3.65Å; Y564-E679 HydrophobicContact CE2-CG 3.82Å; E675-E679 PolarHBondContact O-N 3.03Å; R676-E679 WeakPolarHBondContact O-CB 3.37Å; R676-E679 PolarHBondContact O-N 3.17Å; R676-E679 VanDerWaalsContact O-N 3.11Å; E679-L681 PolarHBondContact O-N 2.9Å; E679-L682 PolarHBondContact O-N 2.86Å; E679-C683 VanDerWaalsContact O-CB 3.3Å; E679-C683 WeakPolarHBondContact O-CB 3.19Å; E679-C683 PolarHBondContact O-N 2.86Å; E679-Q729 PolarHBondContact OE2-NE2 3.4Å; E679-T734 WeakPolarHBondContact OE1-CA 3.3Å; E679-T734 VanDerWaalsContact OE1-CB 3.28Å; E679-T734 WeakPolarHBondContact OE1-CB 3.4Å; E679-T734 PolarHBondContact OE1-OG1 2.74Å; E679-T734 WeakPolarHBondContact OE2-CA 3.48Å; E679-C735 PolarHBondContact OE1-N 2.88Å; E679-C735 PolarHBondContact OE2-N 2.85Å; E679-R736 IonicContact OE1-NE 3.33Å; E679-R736 IonicContact OE1-NH2 2.75Å
680	L	90.2	Very high	89.3	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.6	-45.1	175.8	-65.6	176.1	0	0	0	111.8	L324 F428 R676 E677 I678 L682 G684 M685 T725 C735	L324-L680 HydrophobicContact CD2-CB 4.49Å; L324-L680 WeakPolarHBondContact CD2-O 3.41Å; F428-L680 HydrophobicContact CD1-CD1 4.37Å; F428-L680 HydrophobicContact CE1-CB 3.83Å; F428-L680 HydrophobicContact CE1-CD1 3.79Å; F428-L680 HydrophobicContact CE1-CG 4.46Å; F428-L680 HydrophobicContact CZ-CB 3.52Å; F428-L680 HydrophobicContact CZ-CD1 4.1Å; F428-L680 HydrophobicContact CZ-CG 4.46Å; R676-L680 VanDerWaalsContact O-CG 3.32Å; R676-L680 WeakPolarHBondContact O-CG 3.25Å; R676-L680 PolarHBondContact O-N 3.18Å; E677-L680 PolarHBondContact O-N 3.18Å; I678-L680 VanDerWaalsContact C-N 3.3Å; I678-L680 PolarHBondContact O-N 2.89Å; L680-L682 PolarHBondContact O-N 3.14Å; L680-G684 VanDerWaalsContact O-CA 3.23Å; L680-G684 WeakPolarHBondContact O-CA 3.24Å; L680-G684 PolarHBondContact O-N 3.04Å; L680-M685 HydrophobicContact CD2-CG 3.76Å; L680-T725 HydrophobicContact CD2-CG2 3.56Å; L680-C735 HydrophobicContact CD2-CB 3.51Å
681	L	91.4	Very high	89.6	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-62.9	-29.4	179.9	-173.9	61.6	0	0	0	112.8	L324 I432 F435 L549 L670 F673 E677 I678 E679	L324-L681 HydrophobicContact CD1-CD1 3.91Å; I432-L681 HydrophobicContact CG1-CD1 4.09Å; F435-L681 HydrophobicContact CD1-CD1 4.48Å; F435-L681 HydrophobicContact CD1-CD2 4.04Å; F435-L681 HydrophobicContact CE1-CD2 4.06Å; L549-L681 HydrophobicContact CD2-CB 4.28Å; L549-L681 HydrophobicContact CD2-CD2 3.92Å; L549-L681 HydrophobicContact CD2-CG 3.72Å; L670-L681 HydrophobicContact CD2-CD2 4.24Å; F673-L681 HydrophobicContact CD2-CD2 4.33Å; F673-L681 HydrophobicContact CE1-CD2 4.44Å; F673-L681 HydrophobicContact CE2-CD2 3.88Å; F673-L681 HydrophobicContact CZ-CD2 3.93Å; E677-L681 VanDerWaalsContact O-CB 3.23Å; E677-L681 WeakPolarHBondContact O-CB 3.39Å; E677-L681 PolarHBondContact O-N 2.83Å; I678-L681 PolarHBondContact O-N 3.34Å; E679-L681 PolarHBondContact O-N 2.9Å
682	L	91.8	Very high	90.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-97.9	-40.7	-174.4	-172.4	64.1	0	0	0	113.4	I545 A548 L549 F554 I555 F559 Y564 I678 E679 L680	I545-L682 HydrophobicContact CG2-CD1 3.88Å; I545-L682 HydrophobicContact CG2-CD2 4.01Å; A548-L682 HydrophobicContact CB-CD1 4.19Å; L549-L682 HydrophobicContact CD2-CB 4Å; L549-L682 HydrophobicContact CD2-CD1 3.81Å; L549-L682 HydrophobicContact CD2-CG 4.47Å; L549-L682 HydrophobicContact CG-CD1 3.84Å; F554-L682 CarbonylContact C-O 3.59Å; F554-L682 VanDerWaalsContact CA-O 3.27Å; F554-L682 WeakPolarHBondContact CA-O 3.38Å; I555-L682 HydrophobicContact CD1-CD1 4.03Å; I555-L682 HydrophobicContact CD1-CD2 3.6Å; I555-L682 HydrophobicContact CD1-CG 3.54Å; I555-L682 HydrophobicContact CG1-CD1 4.38Å; I555-L682 HydrophobicContact CG1-CD2 4.46Å; I555-L682 HydrophobicContact CG1-CG 3.9Å; I555-L682 HydrophobicContact CG2-CD1 4.31Å; I555-L682 PolarHBondContact N-O 2.7Å; F559-L682 HydrophobicContact CD2-CD2 4.37Å; F559-L682 HydrophobicContact CE2-CD2 4.28Å; Y564-L682 HydrophobicContact CE1-CD2 3.9Å; I678-L682 VanDerWaalsContact O-CB 3.27Å; I678-L682 WeakPolarHBondContact O-CB 3.4Å; I678-L682 PolarHBondContact O-N 3.37Å; E679-L682 PolarHBondContact O-N 2.86Å; L680-L682 PolarHBondContact O-N 3.14Å
683	C	88.8	Confident	90.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-92.2	-25.6	-179.9	-68.2	0	0	0	0	113.5	R322 G558 E679	R322-C683 WeakPolarHBondContact CD-O 3.19Å; R322-C683 PolarHBondContact NH1-O 3.18Å; G558-C683 WeakPolarHBondContact CA-SG 3.28Å; G558-C683 PolarHBondContact N-SG 3.3Å; E679-C683 VanDerWaalsContact O-CB 3.3Å; E679-C683 WeakPolarHBondContact O-CB 3.19Å; E679-C683 PolarHBondContact O-N 2.86Å
684	G	86.1	Confident	91	Very high	2 Å²	2	26.2 Å²	26.2	2%	0.021	13%	0.129	C	C	.	.			trans	81	153.7	-169.5	0	0	0	0	0	113	L680	L680-G684 VanDerWaalsContact O-CA 3.23Å; L680-G684 WeakPolarHBondContact O-CA 3.24Å; L680-G684 PolarHBondContact O-N 3.04Å
685	M	84.1	Confident	91.3	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.02	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-77.6	159.2	164.2	-72.8	-173.4	-69.7	0	0	110.9	R322 F323 L324 L680 E722 T725	R322-M685 CarbonylContact C-O 3.57Å; R322-M685 VanDerWaalsContact CA-O 3.22Å; R322-M685 WeakPolarHBondContact CA-O 3.45Å; R322-M685 WeakPolarHBondContact CB-O 3.36Å; F323-M685 HydrophobicContact CD2-CB 4.4Å; F323-M685 HydrophobicContact CE2-CB 4.2Å; F323-M685 HydrophobicContact CE2-CE 4.44Å; F323-M685 PolarHBondContact N-O 3.3Å; F323-M685 PolarHBondContact O-N 2.63Å; L324-M685 HydrophobicContact CD2-CE 4.42Å; L324-M685 WeakPolarHBondContact O-CE 3.47Å; L680-M685 HydrophobicContact CD2-CG 3.76Å; M685-E722 HydrophobicContact SD-CB 4Å; M685-E722 HydrophobicContact SD-CG 4.12Å; M685-T725 HydrophobicContact CG-CG2 4.32Å
686	Q	84.4	Confident	91.7	Very high	33 Å²	33	33.7 Å²	33.7	15%	0.154	16%	0.157	C	C	.	.			trans	-126.3	158.1	166.5	59.8	-176.4	105.9	0	0	108.6	N721	Q686-N721 PolarHBondContact O-ND2 3.15Å
687	E	87.3	Confident	92.2	Very high	154 Å²	154	32.2 Å²	32.2	72%	0.72	15%	0.153	S	C	*	.			trans	-69.2	134.2	170.3	-172.9	165.9	-164.2	0	0	109.8	F323	F323-E687 HydrophobicContact CE1-CB 4.36Å
688	I	90.5	Very high	92.5	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.021	17%	0.17	C	C	.	.			trans	-101.9	109	-175.6	-66.9	175	0	0	0	110.1	I690 W693 N721 R724 T725 L728 F742	I688-I690 PolarHBondContact O-N 2.88Å; I688-I690 VanDerWaalsContact O-N 3.1Å; I688-W693 HydrophobicContact CG2-CE3 3.53Å; I688-W693 HydrophobicContact CG2-CZ3 3.8Å; I688-N721 PolarHBondContact N-OD1 3.08Å; I688-R724 HydrophobicContact CB-CB 4.45Å; I688-R724 HydrophobicContact CD1-CB 3.94Å; I688-T725 HydrophobicContact CD1-CG2 4.48Å; I688-T725 WeakPolarHBondContact CD1-OG1 3.34Å; I688-L728 HydrophobicContact CD1-CB 4.39Å; I688-L728 HydrophobicContact CD1-CD2 4.23Å; I688-F742 HydrophobicContact CG2-CE2 4.26Å; I688-F742 HydrophobicContact CG2-CZ 4.14Å
689	D	93.1	Very high	92.7	Very high	85 Å²	85	37.1 Å²	37.1	46%	0.455	18%	0.178	S	C	.	.			trans	-66.7	102.7	168.8	-178	-5.5	0	0	0	110.2	D691 D692 W693	D689-D691 VanDerWaalsContact C-N 3.3Å; D689-D691 WeakPolarHBondContact OD1-CA 3.4Å; D689-D691 WeakPolarHBondContact OD1-CB 3.28Å; D689-D691 PolarHBondContact OD1-N 3.21Å; D689-D692 HydrophobicContact CB-CB 4.14Å; D689-D692 PolarHBondContact OD1-N 2.8Å; D689-D692 WeakPolarHBondContact OD2-CB 3.31Å; D689-W693 PolarHBondContact O-N 3.12Å; D689-W693 VanDerWaalsContact O-N 3.08Å
690	I	95.8	Very high	93	Very high	11 Å²	11	42.7 Å²	42.7	6%	0.056	20%	0.199	C	C	.	.	H	α-helix	trans	-69.6	-29.1	176.4	-60.2	176.1	0	0	0	111.3	I688 W693 Q694 W713 L716 R717	I688-I690 PolarHBondContact O-N 2.88Å; I688-I690 VanDerWaalsContact O-N 3.1Å; I690-W693 PolarHBondContact O-N 2.87Å; I690-Q694 WeakPolarHBondContact O-CB 3.22Å; I690-Q694 PolarHBondContact O-N 3.15Å; I690-W713 HydrophobicContact CG2-CE3 3.89Å; I690-W713 HydrophobicContact CG2-CZ3 4.16Å; I690-L716 HydrophobicContact CD1-CG 4.26Å; I690-L716 HydrophobicContact CG1-CD2 4.47Å; I690-L716 HydrophobicContact CG1-CG 4.46Å; I690-L716 HydrophobicContact CG2-CD2 4.19Å; I690-R717 HydrophobicContact CD1-CB 4.32Å; I690-R717 HydrophobicContact CD1-CG 3.74Å; I690-R717 HydrophobicContact CG2-CG 3.93Å
691	D	96.1	Very high	93.3	Very high	83 Å²	83	50.1 Å²	50.1	44%	0.444	23%	0.233	S	C	.	.	H	α-helix	trans	-73.1	-36.2	179.8	-68.8	-13.7	0	0	0	110.9	D689 R695 R717	D689-D691 VanDerWaalsContact C-N 3.3Å; D689-D691 WeakPolarHBondContact OD1-CA 3.4Å; D689-D691 WeakPolarHBondContact OD1-CB 3.28Å; D689-D691 PolarHBondContact OD1-N 3.21Å; D691-R695 WeakPolarHBondContact O-CB 3.34Å; D691-R695 PolarHBondContact O-N 2.88Å; D691-R717 IonicContact OD1-CZ 3.48Å; D691-R717 IonicContact OD1-NH1 2.95Å; D691-R717 PolarHBondContact OD1-NH1 2.93Å; D691-R717 IonicContact OD1-NH2 2.67Å; D691-R717 PolarHBondContact OD1-NH2 2.97Å
692	D	96.2	Very high	93.6	Very high	22 Å²	22	50.9 Å²	50.9	12%	0.118	24%	0.236	C	C	.	.	H	α-helix	trans	-70.2	-40.9	169.2	-166.8	64.5	0	0	0	112.8	D689 Q694 R695 N696 F742	D689-D692 HydrophobicContact CB-CB 4.14Å; D689-D692 PolarHBondContact OD1-N 2.8Å; D689-D692 WeakPolarHBondContact OD2-CB 3.31Å; D692-Q694 PolarHBondContact O-N 2.93Å; D692-R695 PolarHBondContact O-N 2.88Å; D692-R695 IonicContact OD1-CZ 2.74Å; D692-R695 IonicContact OD1-NH1 3.57Å; D692-R695 PolarHBondContact OD1-NH1 2.69Å; D692-N696 WeakPolarHBondContact O-CB 3.12Å; D692-N696 PolarHBondContact O-N 3.26Å; D692-N696 PolarHBondContact O-ND2 3.46Å; D692-N696 PolarHBondContact OD1-ND2 3.02Å; D692-N696 PolarHBondContact OD2-ND2 3.29Å; D692-N696 VanDerWaalsContact OD2-ND2 3.16Å; D692-F742 WeakPolarHBondContact OD2-CB 3.48Å; D692-F742 PolarHBondContact OD2-N 2.93Å
693	W	96.9	Very high	93.8	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.3	-48.3	173.7	-165.3	-10.2	0	0	0	111	I688 D689 I690 N696 T697 W713 L716 M727 L728 F742 F754	I688-W693 HydrophobicContact CG2-CE3 3.53Å; I688-W693 HydrophobicContact CG2-CZ3 3.8Å; D689-W693 PolarHBondContact O-N 3.12Å; D689-W693 VanDerWaalsContact O-N 3.08Å; I690-W693 PolarHBondContact O-N 2.87Å; W693-N696 PolarHBondContact O-N 2.83Å; W693-T697 PolarHBondContact O-N 3.16Å; W693-T697 PolarHBondContact O-OG1 2.83Å; W693-W713 HydrophobicContact CB-CH2 4.28Å; W693-W713 HydrophobicContact CB-CZ3 4.17Å; W693-W713 AromaticContact CD1-CH2 3.71Å; W693-W713 HydrophobicContact CD2-CH2 4.49Å; W693-W713 HydrophobicContact CD2-CZ3 4.35Å; W693-W713 AromaticContact CG-CH2 3.9Å; W693-W713 HydrophobicContact CG-CH2 3.9Å; W693-W713 AromaticContact CG-CZ3 3.98Å; W693-W713 HydrophobicContact CG-CZ3 3.98Å; W693-L716 HydrophobicContact CD2-CD2 4.11Å; W693-L716 HydrophobicContact CE3-CD2 3.7Å; W693-L716 HydrophobicContact CH2-CD1 4.25Å; W693-L716 HydrophobicContact CH2-CD2 4.29Å; W693-L716 HydrophobicContact CZ3-CD1 3.96Å; W693-L716 HydrophobicContact CZ3-CD2 3.8Å; W693-L716 HydrophobicContact CZ3-CG 4.43Å; W693-M727 HydrophobicContact CH2-CB 4.47Å; W693-M727 HydrophobicContact CH2-CG 4.12Å; W693-L728 HydrophobicContact CH2-CB 4.1Å; W693-L728 HydrophobicContact CH2-CD1 4.2Å; W693-L728 HydrophobicContact CZ2-CD1 4.19Å; W693-F742 HydrophobicContact CB-CD1 4.12Å; W693-F742 HydrophobicContact CB-CD2 3.76Å; W693-F742 HydrophobicContact CB-CE1 4.03Å; W693-F742 HydrophobicContact CB-CE2 3.67Å; W693-F742 HydrophobicContact CB-CG 3.99Å; W693-F742 HydrophobicContact CB-CZ 3.81Å; W693-F742 AromaticContact CD1-CD1 3.61Å; W693-F742 AromaticContact CD1-CE1 3.59Å; W693-F742 HydrophobicContact CD2-CD1 4.27Å; W693-F742 AromaticContact CD2-CE1 3.48Å; W693-F742 HydrophobicContact CD2-CE1 3.48Å; W693-F742 VanDerWaalsContact CD2-CE1 3.48Å; W693-F742 HydrophobicContact CD2-CE2 4.27Å; W693-F742 AromaticContact CD2-CZ 3.49Å; W693-F742 HydrophobicContact CD2-CZ 3.49Å; W693-F742 VanDerWaalsContact CD2-CZ 3.49Å; W693-F742 AromaticContact CE2-CE1 3.72Å; W693-F742 HydrophobicContact CE3-CE1 4.06Å; W693-F742 HydrophobicContact CE3-CE2 4.39Å; W693-F742 AromaticContact CE3-CZ 3.63Å; W693-F742 HydrophobicContact CE3-CZ 3.63Å; W693-F742 AromaticContact CG-CD1 3.75Å; W693-F742 HydrophobicContact CG-CD1 3.75Å; W693-F742 HydrophobicContact CG-CD2 4.25Å; W693-F742 AromaticContact CG-CE1 3.44Å; W693-F742 HydrophobicContact CG-CE1 3.44Å; W693-F742 VanDerWaalsContact CG-CE1 3.44Å; W693-F742 AromaticContact CG-CE2 3.99Å; W693-F742 HydrophobicContact CG-CE2 3.99Å; W693-F742 HydrophobicContact CG-CG 4.15Å; W693-F742 AromaticContact CG-CZ 3.58Å; W693-F742 HydrophobicContact CG-CZ 3.58Å; W693-F742 HydrophobicContact CZ2-CE1 4.45Å; W693-F742 HydrophobicContact CZ3-CZ 4.37Å; W693-F742 AromaticContact NE1-CE1 3.77Å; W693-F754 AromaticContact CD1-CD1 3.83Å; W693-F754 AromaticContact CD1-CG 3.9Å; W693-F754 AromaticContact CE2-CD2 3.97Å; W693-F754 AromaticContact CE2-CE2 3.8Å; W693-F754 AromaticContact CE2-CZ 3.97Å; W693-F754 HydrophobicContact CZ2-CD2 4.07Å; W693-F754 AromaticContact CZ2-CE2 3.56Å; W693-F754 HydrophobicContact CZ2-CE2 3.56Å; W693-F754 AromaticContact CZ2-CZ 3.9Å; W693-F754 HydrophobicContact CZ2-CZ 3.9Å; W693-F754 AromaticContact NE1-CD1 3.25Å; W693-F754 AromaticContact NE1-CD2 3.28Å; W693-F754 VanDerWaalsContact NE1-CD2 3.28Å; W693-F754 AromaticContact NE1-CE1 3.41Å; W693-F754 AromaticContact NE1-CE2 3.42Å; W693-F754 AromaticContact NE1-CG 3.18Å; W693-F754 AromaticContact NE1-CZ 3.5Å
694	Q	97.3	Very high	94.1	Very high	69 Å²	69	60.2 Å²	60.2	32%	0.322	29%	0.287	S	S	.	.	H	α-helix	trans	-67.2	-37.6	-179.8	-174.7	166.7	6	0	0	112.6	I690 D692 N696 W713	I690-Q694 WeakPolarHBondContact O-CB 3.22Å; I690-Q694 PolarHBondContact O-N 3.15Å; D692-Q694 PolarHBondContact O-N 2.93Å; Q694-N696 VanDerWaalsContact C-N 3.35Å; Q694-W713 VanDerWaalsContact CA-CH2 3.48Å; Q694-W713 HydrophobicContact CB-CD2 3.94Å; Q694-W713 HydrophobicContact CB-CE3 3.84Å; Q694-W713 HydrophobicContact CB-CH2 3.92Å; Q694-W713 HydrophobicContact CB-CZ2 3.98Å; Q694-W713 HydrophobicContact CB-CZ3 3.82Å; Q694-W713 HydrophobicContact CG-CD2 3.76Å; Q694-W713 HydrophobicContact CG-CE3 4.19Å; Q694-W713 HydrophobicContact CG-CG 4.14Å; Q694-W713 HydrophobicContact CG-CH2 4.48Å; Q694-W713 HydrophobicContact CG-CZ2 4.04Å
695	R	97	Very high	94.6	Very high	161 Å²	161	62.3 Å²	62.3	61%	0.608	31%	0.309	S	S	*	.	H	α-helix	trans	-63.1	-37.2	176	-178.8	-170	-52.6	131.3	5.7	112.6	D691 D692	D691-R695 WeakPolarHBondContact O-CB 3.34Å; D691-R695 PolarHBondContact O-N 2.88Å; D692-R695 PolarHBondContact O-N 2.88Å; D692-R695 IonicContact OD1-CZ 2.74Å; D692-R695 IonicContact OD1-NH1 3.57Å; D692-R695 PolarHBondContact OD1-NH1 2.69Å
696	N	96.5	Very high	95.2	Very high	29 Å²	29	63 Å²	63	16%	0.155	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	11.5	-176.7	-63.2	-66.1	0	0	0	114.2	D692 W693 Q694 F742 A743 L753	D692-N696 WeakPolarHBondContact O-CB 3.12Å; D692-N696 PolarHBondContact O-N 3.26Å; D692-N696 PolarHBondContact O-ND2 3.46Å; D692-N696 PolarHBondContact OD1-ND2 3.02Å; D692-N696 PolarHBondContact OD2-ND2 3.29Å; D692-N696 VanDerWaalsContact OD2-ND2 3.16Å; W693-N696 PolarHBondContact O-N 2.83Å; Q694-N696 VanDerWaalsContact C-N 3.35Å; N696-F742 HydrophobicContact CB-CB 3.88Å; N696-A743 PolarHBondContact ND2-N 3.35Å; N696-A743 WeakPolarHBondContact OD1-CB 3.27Å; N696-L753 HydrophobicContact CB-CD2 4.48Å
697	T	97.7	Very high	95.9	Very high	12 Å²	12	68.1 Å²	68.1	7%	0.074	34%	0.336	C	S	.	.			trans	-85.2	133.5	178.9	-67.3	0	0	0	0	113.1	W693 Y699 W713 F754 I756	W693-T697 PolarHBondContact O-N 3.16Å; W693-T697 PolarHBondContact O-OG1 2.83Å; T697-Y699 HydrophobicContact CG2-CD1 4.28Å; T697-Y699 HydrophobicContact CG2-CE1 3.66Å; T697-Y699 HydrophobicContact CG2-CE2 4Å; T697-Y699 VanDerWaalsContact O-CE2 3.31Å; T697-Y699 WeakPolarHBondContact O-CE2 3.45Å; T697-W713 HydrophobicContact CG2-CZ2 4Å; T697-W713 WeakPolarHBondContact OG1-CH2 3.46Å; T697-W713 VanDerWaalsContact OG1-CZ2 3.3Å; T697-W713 WeakPolarHBondContact OG1-CZ2 3.26Å; T697-F754 WeakPolarHBondContact CA-O 3.33Å; T697-F754 HydrophobicContact CG2-CD1 3.74Å; T697-F754 HydrophobicContact CG2-CE1 4.08Å; T697-F754 VanDerWaalsContact OG1-CD1 3.32Å; T697-F754 WeakPolarHBondContact OG1-CD1 3.29Å; T697-I756 HydrophobicContact CG2-CD1 4.3Å; T697-I756 HydrophobicContact CG2-CG1 4.08Å
698	V	96.8	Very high	96.4	Very high	64 Å²	64	62.2 Å²	62.2	39%	0.388	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	137.3	174.1	-178.2	0	0	0	0	111.3	L753 F754 S755 I756	V698-L753 HydrophobicContact CG2-CB 4.08Å; V698-L753 HydrophobicContact CG2-CD1 3.95Å; V698-F754 PolarHBondContact N-O 3.35Å; V698-S755 CarbonylContact O-C 3.56Å; V698-S755 WeakPolarHBondContact O-CA 3.48Å; V698-S755 WeakPolarHBondContact O-CB 3.38Å; V698-I756 PolarHBondContact O-N 2.69Å
699	Y	97.7	Very high	96.7	Very high	44 Å²	44	62 Å²	62	17%	0.173	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	132.5	-177.6	-55.2	-84.7	0	0	0	111.7	T697 Y702 P704 V709 W713 I756	T697-Y699 HydrophobicContact CG2-CD1 4.28Å; T697-Y699 HydrophobicContact CG2-CE1 3.66Å; T697-Y699 HydrophobicContact CG2-CE2 4Å; T697-Y699 VanDerWaalsContact O-CE2 3.31Å; T697-Y699 WeakPolarHBondContact O-CE2 3.45Å; Y699-Y702 WeakPolarHBondContact CB-O 3.35Å; Y699-P704 HydrophobicContact CD2-CG 3.92Å; Y699-P704 HydrophobicContact CE2-CB 4.49Å; Y699-P704 HydrophobicContact CE2-CG 3.76Å; Y699-V709 HydrophobicContact CD1-CG1 4.04Å; Y699-V709 HydrophobicContact CD1-CG2 3.79Å; Y699-V709 HydrophobicContact CE1-CB 4.29Å; Y699-V709 HydrophobicContact CE1-CG1 3.34Å; Y699-V709 HydrophobicContact CE1-CG2 3.89Å; Y699-W713 PolarHBondContact OH-NE1 3.4Å; Y699-I756 HydrophobicContact CD1-CB 4.3Å; Y699-I756 HydrophobicContact CE1-CD1 4.13Å
700	R	96.3	Very high	97	Very high	117 Å²	117	62.1 Å²	62.1	44%	0.442	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.7	178	-64.8	174.7	178	-109.1	1.2	109.7	Y702 I756 E757 K758	R700-Y702 PolarHBondContact O-N 2.74Å; R700-I756 PolarHBondContact N-O 2.75Å; R700-E757 HydrophobicContact CB-CB 3.8Å; R700-E757 HydrophobicContact CB-CG 3.58Å; R700-E757 VanDerWaalsContact CD-CD 3.43Å; R700-E757 WeakPolarHBondContact CD-OE2 3.49Å; R700-E757 WeakPolarHBondContact O-CA 3.28Å; R700-K758 PolarHBondContact O-N 3.36Å
701	H	96.9	Very high	97.1	Very high	156 Å²	156	63.8 Å²	63.8	72%	0.722	31%	0.312	S	S	*	.	S	Bend	trans	55.5	10.5	-172.4	-60.1	-69.6	0	0	0	115.5	E757 K758	H701-E757 IonicContact CD2-OE1 2.72Å; H701-E757 PolarHBondContact CD2-OE1 3.33Å; H701-K758 HydrophobicContact CB-CB 3.79Å
702	Y	97.6	Very high	97.2	Very high	19 Å²	19	59.8 Å²	59.8	8%	0.075	29%	0.291	C	S	.	.			trans	-129.4	172.4	169	-81.6	-53.5	0	0	0	109.5	Y699 R700 Q708 V709 I756 K758 L777 P778 P779	Y699-Y702 WeakPolarHBondContact CB-O 3.35Å; R700-Y702 PolarHBondContact O-N 2.74Å; Y702-Q708 HydrophobicContact CE1-CB 4.09Å; Y702-Q708 HydrophobicContact CE1-CG 4.46Å; Y702-V709 HydrophobicContact CD1-CG2 4.4Å; Y702-V709 HydrophobicContact CD2-CG2 4.4Å; Y702-V709 HydrophobicContact CG-CG2 4.03Å; Y702-I756 HydrophobicContact CD2-CG2 4.18Å; Y702-K758 HydrophobicContact CD1-CB 4.39Å; Y702-K758 HydrophobicContact CD1-CD 4.43Å; Y702-K758 HydrophobicContact CD2-CB 3.61Å; Y702-K758 HydrophobicContact CE1-CB 4.25Å; Y702-K758 HydrophobicContact CE1-CD 3.97Å; Y702-K758 HydrophobicContact CE1-CG 4.21Å; Y702-K758 VanDerWaalsContact CE2-CA 3.49Å; Y702-K758 HydrophobicContact CE2-CB 3.42Å; Y702-K758 VanDerWaalsContact CE2-CB 3.42Å; Y702-K758 HydrophobicContact CE2-CG 3.91Å; Y702-K758 HydrophobicContact CG-CB 4.1Å; Y702-L777 HydrophobicContact CE2-CB 4.16Å; Y702-L777 HydrophobicContact CE2-CD2 4.25Å; Y702-L777 HydrophobicContact CE2-CG 4.3Å; Y702-L777 PolarHBondContact OH-O 3.03Å; Y702-P778 PolarHBondContact OH-O 3.21Å; Y702-P779 WeakPolarHBondContact OH-CA 3.34Å
703	H	96.4	Very high	97.3	Very high	109 Å²	109	59.1 Å²	59.1	51%	0.505	29%	0.287	S	S	.	.			trans	-143.1	165.4	168.7	63.9	100.7	0	0	0	109.2	G705 S706	H703-G705 PolarHBondContact ND1-N 3.22Å; H703-G705 PolarHBondContact O-N 3.36Å; H703-S706 PolarHBondContact CD2-OG 3.17Å; H703-S706 PolarHBondContact CE1-N 3Å; H703-S706 PolarHBondContact N-OG 3.19Å; H703-S706 PolarHBondContact NE2-OG 2.85Å; H703-S706 VanDerWaalsContact NE2-OG 3.11Å; H703-S706 VanDerWaalsContact O-CB 3.26Å; H703-S706 WeakPolarHBondContact O-CB 3.45Å; H703-S706 PolarHBondContact O-N 2.96Å; H703-S706 PolarHBondContact O-OG 2.84Å
704	P	95.5	Very high	97.3	Very high	86 Å²	86	63.8 Å²	63.8	56%	0.558	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-27.6	-175.6	-29.9	35.6	0	0	0	115.9	Y699	Y699-P704 HydrophobicContact CD2-CG 3.92Å; Y699-P704 HydrophobicContact CE2-CB 4.49Å; Y699-P704 HydrophobicContact CE2-CG 3.76Å
705	G	96.6	Very high	97.3	Very high	47 Å²	47	60.8 Å²	60.8	49%	0.485	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	9.5	177.1	0	0	0	0	0	115.2	H703	H703-G705 PolarHBondContact ND1-N 3.22Å; H703-G705 PolarHBondContact O-N 3.36Å
706	S	97.5	Very high	97.3	Very high	17 Å²	17	53.1 Å²	53.1	12%	0.119	27%	0.266	C	S	.	.	S	Bend	trans	-72	137.3	173	-69.7	0	0	0	0	110.3	H703 Q708 V709 I710	H703-S706 PolarHBondContact CD2-OG 3.17Å; H703-S706 PolarHBondContact CE1-N 3Å; H703-S706 PolarHBondContact N-OG 3.19Å; H703-S706 PolarHBondContact NE2-OG 2.85Å; H703-S706 VanDerWaalsContact NE2-OG 3.11Å; H703-S706 VanDerWaalsContact O-CB 3.26Å; H703-S706 WeakPolarHBondContact O-CB 3.45Å; H703-S706 PolarHBondContact O-N 2.96Å; H703-S706 PolarHBondContact O-OG 2.84Å; S706-Q708 VanDerWaalsContact C-N 3.3Å; S706-Q708 PolarHBondContact O-N 2.92Å; S706-V709 WeakPolarHBondContact O-CA 3.36Å; S706-V709 WeakPolarHBondContact O-CB 3.47Å; S706-V709 PolarHBondContact O-N 2.84Å; S706-I710 PolarHBondContact O-N 3.15Å
707	K	97.5	Very high	97.3	Very high	141 Å²	141	56.8 Å²	56.8	61%	0.613	28%	0.277	S	S	*	.	H	α-helix	trans	-51.1	-47.3	-176.2	-66.4	-170.4	178.1	-173	0	113.1	V709 I710 W711	K707-V709 VanDerWaalsContact C-N 3.29Å; K707-V709 PolarHBondContact O-N 2.91Å; K707-I710 PolarHBondContact O-N 2.8Å; K707-W711 HydrophobicContact CB-CD2 4.36Å; K707-W711 HydrophobicContact CB-CE3 4.25Å; K707-W711 HydrophobicContact CB-CH2 3.8Å; K707-W711 HydrophobicContact CB-CZ2 3.94Å; K707-W711 HydrophobicContact CB-CZ3 3.97Å; K707-W711 HydrophobicContact CD-CH2 3.95Å; K707-W711 HydrophobicContact CD-CZ2 4.06Å; K707-W711 HydrophobicContact CG-CH2 4.49Å; K707-W711 HydrophobicContact CG-CZ2 4.46Å; K707-W711 WeakPolarHBondContact O-CB 3.23Å; K707-W711 VanDerWaalsContact O-CD2 3.27Å; K707-W711 PolarHBondContact O-N 3Å
708	Q	97.9	Very high	97.2	Very high	31 Å²	31	59.8 Å²	59.8	15%	0.145	30%	0.299	C	S	.	.	H	α-helix	trans	-66.7	-27.9	-179.9	-62	81.1	6.2	0	0	113.1	Y702 S706 W711 F712 L777 Y780 L786	Y702-Q708 HydrophobicContact CE1-CB 4.09Å; Y702-Q708 HydrophobicContact CE1-CG 4.46Å; S706-Q708 VanDerWaalsContact C-N 3.3Å; S706-Q708 PolarHBondContact O-N 2.92Å; Q708-W711 HydrophobicContact CG-CE3 4.19Å; Q708-W711 HydrophobicContact CG-CZ3 4.24Å; Q708-F712 VanDerWaalsContact O-CB 3.24Å; Q708-F712 WeakPolarHBondContact O-CB 3.48Å; Q708-F712 PolarHBondContact O-N 3.47Å; Q708-L777 HydrophobicContact CB-CD2 4.13Å; Q708-Y780 PolarHBondContact NE2-O 3.18Å; Q708-L786 HydrophobicContact CB-CD1 4.24Å; Q708-L786 WeakPolarHBondContact O-CD1 3.39Å
709	V	98.1	Very high	97	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-74.2	-42	174.1	171.1	0	0	0	0	110.9	Y699 Y702 S706 K707 F712 W713	Y699-V709 HydrophobicContact CD1-CG1 4.04Å; Y699-V709 HydrophobicContact CD1-CG2 3.79Å; Y699-V709 HydrophobicContact CE1-CB 4.29Å; Y699-V709 HydrophobicContact CE1-CG1 3.34Å; Y699-V709 HydrophobicContact CE1-CG2 3.89Å; Y702-V709 HydrophobicContact CD1-CG2 4.4Å; Y702-V709 HydrophobicContact CD2-CG2 4.4Å; Y702-V709 HydrophobicContact CG-CG2 4.03Å; S706-V709 WeakPolarHBondContact O-CA 3.36Å; S706-V709 WeakPolarHBondContact O-CB 3.47Å; S706-V709 PolarHBondContact O-N 2.84Å; K707-V709 VanDerWaalsContact C-N 3.29Å; K707-V709 PolarHBondContact O-N 2.91Å; V709-F712 PolarHBondContact O-N 2.67Å; V709-W713 PolarHBondContact O-N 3.12Å; V709-W713 VanDerWaalsContact O-N 3.15Å
710	I	98	Very high	96.7	Very high	86 Å²	86	59 Å²	59	44%	0.441	30%	0.295	S	S	.	.	H	α-helix	trans	-61.1	-50.5	174.9	-62.6	168.2	0	0	0	109.6	S706 K707 F712 W713 E714	S706-I710 PolarHBondContact O-N 3.15Å; K707-I710 PolarHBondContact O-N 2.8Å; I710-F712 VanDerWaalsContact C-N 3.29Å; I710-F712 PolarHBondContact O-N 3.43Å; I710-W713 PolarHBondContact O-N 3.38Å; I710-E714 WeakPolarHBondContact O-CB 3.33Å; I710-E714 PolarHBondContact O-N 3Å
711	W	98.3	Very high	96.4	Very high	46 Å²	46	54.7 Å²	54.7	17%	0.174	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-33	176.6	-64.1	-27.4	0	0	0	113.4	K707 Q708 F715 Y780 R781 Y783 L786	K707-W711 HydrophobicContact CB-CD2 4.36Å; K707-W711 HydrophobicContact CB-CE3 4.25Å; K707-W711 HydrophobicContact CB-CH2 3.8Å; K707-W711 HydrophobicContact CB-CZ2 3.94Å; K707-W711 HydrophobicContact CB-CZ3 3.97Å; K707-W711 HydrophobicContact CD-CH2 3.95Å; K707-W711 HydrophobicContact CD-CZ2 4.06Å; K707-W711 HydrophobicContact CG-CH2 4.49Å; K707-W711 HydrophobicContact CG-CZ2 4.46Å; K707-W711 WeakPolarHBondContact O-CB 3.23Å; K707-W711 VanDerWaalsContact O-CD2 3.27Å; K707-W711 PolarHBondContact O-N 3Å; Q708-W711 HydrophobicContact CG-CE3 4.19Å; Q708-W711 HydrophobicContact CG-CZ3 4.24Å; W711-F715 WeakPolarHBondContact O-CB 3.42Å; W711-F715 PolarHBondContact O-N 2.97Å; W711-Y780 WeakPolarHBondContact CZ3-O 3.07Å; W711-R781 VanDerWaalsContact CH2-O 3.31Å; W711-R781 WeakPolarHBondContact CH2-O 3.43Å; W711-Y783 HydrophobicContact CB-CD2 3.91Å; W711-Y783 AromaticContact CD1-CD2 3.97Å; W711-Y783 HydrophobicContact CG-CD2 4.09Å; W711-L786 HydrophobicContact CB-CD1 4Å
712	F	98	Very high	96	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.4	-46.8	174.6	173.7	-96.1	0	0	0	112.1	Q708 V709 I710 F715 L716 M727 F754 I756 L775 L777 M790	Q708-F712 VanDerWaalsContact O-CB 3.24Å; Q708-F712 WeakPolarHBondContact O-CB 3.48Å; Q708-F712 PolarHBondContact O-N 3.47Å; V709-F712 PolarHBondContact O-N 2.67Å; I710-F712 VanDerWaalsContact C-N 3.29Å; I710-F712 PolarHBondContact O-N 3.43Å; F712-F715 PolarHBondContact O-N 2.96Å; F712-L716 HydrophobicContact CE1-CD2 4.35Å; F712-L716 HydrophobicContact CZ-CD2 4.48Å; F712-L716 WeakPolarHBondContact O-CB 3.5Å; F712-L716 PolarHBondContact O-N 3.09Å; F712-M727 HydrophobicContact CE2-CE 3.76Å; F712-M727 HydrophobicContact CE2-SD 4.36Å; F712-M727 HydrophobicContact CZ-CE 4.09Å; F712-F754 HydrophobicContact CE1-CE1 4.39Å; F712-F754 HydrophobicContact CE1-CZ 4.42Å; F712-F754 HydrophobicContact CZ-CE1 4.47Å; F712-F754 HydrophobicContact CZ-CZ 4.05Å; F712-I756 HydrophobicContact CD1-CD1 3.56Å; F712-I756 HydrophobicContact CE1-CD1 3.73Å; F712-I756 HydrophobicContact CG-CD1 4.06Å; F712-I756 HydrophobicContact CZ-CD1 4.36Å; F712-L775 HydrophobicContact CD2-CD2 3.95Å; F712-L775 HydrophobicContact CE2-CD2 3.5Å; F712-L775 VanDerWaalsContact CE2-CD2 3.5Å; F712-L775 HydrophobicContact CZ-CD2 4.05Å; F712-L777 HydrophobicContact CB-CD2 4.41Å; F712-M790 HydrophobicContact CD2-SD 4.44Å; F712-M790 HydrophobicContact CE2-SD 4.49Å
713	W	98.1	Very high	95.7	Very high	7 Å²	7	50.7 Å²	50.7	3%	0.027	26%	0.263	C	S	.	.	H	α-helix	trans	-71.4	-33.6	177.7	-65.6	115.2	0	0	0	112.7	I690 W693 Q694 T697 Y699 V709 I710 L716 R717	I690-W713 HydrophobicContact CG2-CE3 3.89Å; I690-W713 HydrophobicContact CG2-CZ3 4.16Å; W693-W713 HydrophobicContact CB-CH2 4.28Å; W693-W713 HydrophobicContact CB-CZ3 4.17Å; W693-W713 AromaticContact CD1-CH2 3.71Å; W693-W713 HydrophobicContact CD2-CH2 4.49Å; W693-W713 HydrophobicContact CD2-CZ3 4.35Å; W693-W713 AromaticContact CG-CH2 3.9Å; W693-W713 HydrophobicContact CG-CH2 3.9Å; W693-W713 AromaticContact CG-CZ3 3.98Å; W693-W713 HydrophobicContact CG-CZ3 3.98Å; Q694-W713 VanDerWaalsContact CA-CH2 3.48Å; Q694-W713 HydrophobicContact CB-CD2 3.94Å; Q694-W713 HydrophobicContact CB-CE3 3.84Å; Q694-W713 HydrophobicContact CB-CH2 3.92Å; Q694-W713 HydrophobicContact CB-CZ2 3.98Å; Q694-W713 HydrophobicContact CB-CZ3 3.82Å; Q694-W713 HydrophobicContact CG-CD2 3.76Å; Q694-W713 HydrophobicContact CG-CE3 4.19Å; Q694-W713 HydrophobicContact CG-CG 4.14Å; Q694-W713 HydrophobicContact CG-CH2 4.48Å; Q694-W713 HydrophobicContact CG-CZ2 4.04Å; T697-W713 HydrophobicContact CG2-CZ2 4Å; T697-W713 WeakPolarHBondContact OG1-CH2 3.46Å; T697-W713 VanDerWaalsContact OG1-CZ2 3.3Å; T697-W713 WeakPolarHBondContact OG1-CZ2 3.26Å; Y699-W713 PolarHBondContact OH-NE1 3.4Å; V709-W713 PolarHBondContact O-N 3.12Å; V709-W713 VanDerWaalsContact O-N 3.15Å; I710-W713 PolarHBondContact O-N 3.38Å; W713-L716 HydrophobicContact CE3-CD2 3.71Å; W713-L716 HydrophobicContact CZ3-CD2 3.47Å; W713-L716 VanDerWaalsContact CZ3-CD2 3.47Å; W713-R717 WeakPolarHBondContact O-CB 3.41Å; W713-R717 VanDerWaalsContact O-CG 3.26Å; W713-R717 WeakPolarHBondContact O-CG 3.12Å; W713-R717 PolarHBondContact O-N 2.75Å
714	E	97.3	Very high	95.5	Very high	99 Å²	99	47.8 Å²	47.8	46%	0.463	25%	0.247	S	C	.	.	H	α-helix	trans	-62.2	-47	171.3	-175.4	178.4	-167.1	0	0	111.3	I710 R717 S718 Y783	I710-E714 WeakPolarHBondContact O-CB 3.33Å; I710-E714 PolarHBondContact O-N 3Å; E714-R717 PolarHBondContact O-N 2.94Å; E714-S718 PolarHBondContact O-N 2.73Å; E714-S718 VanDerWaalsContact O-N 3.11Å; E714-Y783 HydrophobicContact CB-CD2 4.47Å; E714-Y783 HydrophobicContact CB-CE2 3.95Å; E714-Y783 HydrophobicContact CG-CD2 4.19Å; E714-Y783 HydrophobicContact CG-CE2 3.63Å
715	F	97.4	Very high	95.3	Very high	5 Å²	5	43.7 Å²	43.7	2%	0.022	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-52.2	173.1	170.7	-108	0	0	0	111.4	W711 F712 R717 S718 L719 Y783 L786 A787 M790	W711-F715 WeakPolarHBondContact O-CB 3.42Å; W711-F715 PolarHBondContact O-N 2.97Å; F712-F715 PolarHBondContact O-N 2.96Å; F715-R717 VanDerWaalsContact C-N 3.27Å; F715-R717 PolarHBondContact O-N 3.38Å; F715-S718 WeakPolarHBondContact O-CA 3.23Å; F715-S718 WeakPolarHBondContact O-CB 3.17Å; F715-S718 PolarHBondContact O-N 3.17Å; F715-S718 PolarHBondContact O-OG 3.38Å; F715-L719 HydrophobicContact CD1-CD1 4.33Å; F715-L719 HydrophobicContact CE1-CD1 3.78Å; F715-L719 HydrophobicContact CE1-CG 4.36Å; F715-L719 HydrophobicContact CE2-CD2 3.94Å; F715-L719 HydrophobicContact CE2-CG 4.38Å; F715-L719 HydrophobicContact CZ-CD1 3.92Å; F715-L719 HydrophobicContact CZ-CD2 3.96Å; F715-L719 HydrophobicContact CZ-CG 4.22Å; F715-L719 PolarHBondContact O-N 2.92Å; F715-L719 VanDerWaalsContact O-N 3.14Å; F715-Y783 HydrophobicContact CB-CE2 4.09Å; F715-L786 HydrophobicContact CB-CD2 4.08Å; F715-L786 HydrophobicContact CD1-CD2 4.44Å; F715-L786 HydrophobicContact CG-CD2 4.29Å; F715-A787 HydrophobicContact CD2-CB 3.65Å; F715-A787 HydrophobicContact CE2-CB 3.94Å; F715-M790 HydrophobicContact CD1-CB 4.2Å; F715-M790 HydrophobicContact CE1-CB 3.51Å; F715-M790 HydrophobicContact CE1-CG 4.4Å; F715-M790 HydrophobicContact CZ-CB 3.73Å
716	L	96.5	Very high	95	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.9	-34	-178	-171.5	66.6	0	0	0	113.2	I690 W693 F712 W713 L719 R724 M727	I690-L716 HydrophobicContact CD1-CG 4.26Å; I690-L716 HydrophobicContact CG1-CD2 4.47Å; I690-L716 HydrophobicContact CG1-CG 4.46Å; I690-L716 HydrophobicContact CG2-CD2 4.19Å; W693-L716 HydrophobicContact CD2-CD2 4.11Å; W693-L716 HydrophobicContact CE3-CD2 3.7Å; W693-L716 HydrophobicContact CH2-CD1 4.25Å; W693-L716 HydrophobicContact CH2-CD2 4.29Å; W693-L716 HydrophobicContact CZ3-CD1 3.96Å; W693-L716 HydrophobicContact CZ3-CD2 3.8Å; W693-L716 HydrophobicContact CZ3-CG 4.43Å; F712-L716 HydrophobicContact CE1-CD2 4.35Å; F712-L716 HydrophobicContact CZ-CD2 4.48Å; F712-L716 WeakPolarHBondContact O-CB 3.5Å; F712-L716 PolarHBondContact O-N 3.09Å; W713-L716 HydrophobicContact CE3-CD2 3.71Å; W713-L716 HydrophobicContact CZ3-CD2 3.47Å; W713-L716 VanDerWaalsContact CZ3-CD2 3.47Å; L716-L719 HydrophobicContact CD1-CD1 4.3Å; L716-R724 HydrophobicContact CD1-CB 4.44Å; L716-R724 HydrophobicContact CD1-CG 4.03Å; L716-M727 HydrophobicContact CD1-CB 4.33Å; L716-M727 HydrophobicContact CD1-CG 4.01Å
717	R	97	Very high	94.8	Very high	106 Å²	106	41.9 Å²	41.9	40%	0.4	20%	0.197	S	C	.	.	H	α-helix	trans	-72.4	-30.2	173.6	-70.6	175.5	-166.4	-89.8	-0.3	112.9	I690 D691 W713 E714 F715 L719 R724	I690-R717 HydrophobicContact CD1-CB 4.32Å; I690-R717 HydrophobicContact CD1-CG 3.74Å; I690-R717 HydrophobicContact CG2-CG 3.93Å; D691-R717 IonicContact OD1-CZ 3.48Å; D691-R717 IonicContact OD1-NH1 2.95Å; D691-R717 PolarHBondContact OD1-NH1 2.93Å; D691-R717 IonicContact OD1-NH2 2.67Å; D691-R717 PolarHBondContact OD1-NH2 2.97Å; W713-R717 WeakPolarHBondContact O-CB 3.41Å; W713-R717 VanDerWaalsContact O-CG 3.26Å; W713-R717 WeakPolarHBondContact O-CG 3.12Å; W713-R717 PolarHBondContact O-N 2.75Å; E714-R717 PolarHBondContact O-N 2.94Å; F715-R717 VanDerWaalsContact C-N 3.27Å; F715-R717 PolarHBondContact O-N 3.38Å; R717-L719 VanDerWaalsContact C-N 3.33Å; R717-R724 PolarHBondContact O-NH2 3.18Å
718	S	95.1	Very high	94.6	Very high	75 Å²	75	35.2 Å²	35.2	52%	0.524	17%	0.167	S	C	.	.	H	α-helix	trans	-74	-20.2	174.6	75.7	0	0	0	0	114.1	E714 F715 Y783	E714-S718 PolarHBondContact O-N 2.73Å; E714-S718 VanDerWaalsContact O-N 3.11Å; F715-S718 WeakPolarHBondContact O-CA 3.23Å; F715-S718 WeakPolarHBondContact O-CB 3.17Å; F715-S718 PolarHBondContact O-N 3.17Å; F715-S718 PolarHBondContact O-OG 3.38Å; S718-Y783 PolarHBondContact OG-OH 2.84Å
719	L	93.8	Very high	94.2	Very high	14 Å²	14	33.9 Å²	33.9	7%	0.073	16%	0.161	C	C	.	.	S	Bend	trans	-73	147.7	175.5	-66.3	-177.2	0	0	0	112.1	F715 L716 R717 K723 R724 I794	F715-L719 HydrophobicContact CD1-CD1 4.33Å; F715-L719 HydrophobicContact CE1-CD1 3.78Å; F715-L719 HydrophobicContact CE1-CG 4.36Å; F715-L719 HydrophobicContact CE2-CD2 3.94Å; F715-L719 HydrophobicContact CE2-CG 4.38Å; F715-L719 HydrophobicContact CZ-CD1 3.92Å; F715-L719 HydrophobicContact CZ-CD2 3.96Å; F715-L719 HydrophobicContact CZ-CG 4.22Å; F715-L719 PolarHBondContact O-N 2.92Å; F715-L719 VanDerWaalsContact O-N 3.14Å; L716-L719 HydrophobicContact CD1-CD1 4.3Å; R717-L719 VanDerWaalsContact C-N 3.33Å; L719-K723 HydrophobicContact CB-CB 4.04Å; L719-K723 HydrophobicContact CD1-CB 4Å; L719-K723 HydrophobicContact CD2-CB 3.93Å; L719-K723 HydrophobicContact CD2-CD 4.01Å; L719-K723 HydrophobicContact CG-CB 4.2Å; L719-R724 HydrophobicContact CB-CG 4.1Å; L719-R724 VanDerWaalsContact O-CZ 3.23Å; L719-R724 PolarHBondContact O-NE 3.46Å; L719-R724 PolarHBondContact O-NH2 3Å; L719-I794 HydrophobicContact CD1-CD1 4.35Å
720	D	90.7	Very high	93.8	Very high	77 Å²	77	34.2 Å²	34.2	41%	0.412	16%	0.163	S	C	.	.			trans	-68.5	170.2	162.8	63.7	72	0	0	0	112.1	E722 K723 R724	D720-E722 VanDerWaalsContact C-N 3.34Å; D720-E722 PolarHBondContact O-N 3.21Å; D720-E722 WeakPolarHBondContact OD1-CA 3.46Å; D720-E722 VanDerWaalsContact OD1-CB 3.31Å; D720-E722 WeakPolarHBondContact OD1-CB 3.27Å; D720-E722 PolarHBondContact OD1-N 3.04Å; D720-K723 PolarHBondContact O-N 3.05Å; D720-K723 PolarHBondContact OD1-N 2.93Å; D720-K723 WeakPolarHBondContact OD2-CD 3.4Å; D720-K723 WeakPolarHBondContact OD2-CG 3.47Å; D720-R724 VanDerWaalsContact O-CG 3.27Å; D720-R724 WeakPolarHBondContact O-CG 3.25Å; D720-R724 PolarHBondContact O-N 3.49Å
721	N	90.4	Very high	93.5	Very high	28 Å²	28	30.1 Å²	30.1	15%	0.15	14%	0.142	C	C	.	.	H	α-helix	trans	-69.8	-26.7	-175.4	-162.4	80	0	0	0	114.3	Q686 I688 T725	Q686-N721 PolarHBondContact O-ND2 3.15Å; I688-N721 PolarHBondContact N-OD1 3.08Å; N721-T725 PolarHBondContact O-N 2.89Å; N721-T725 PolarHBondContact O-OG1 3.07Å
722	E	87.9	Confident	93	Very high	30 Å²	30	28.5 Å²	28.5	14%	0.14	14%	0.137	C	C	.	.	H	α-helix	trans	-66	-49.9	174	-173.6	-163.7	138.9	0	0	109.5	Y325 F428 M685 D720 R724 T725 R726	Y325-E722 PolarHBondContact OH-OE2 3.11Å; F428-E722 WeakPolarHBondContact CB-OE1 3.4Å; F428-E722 HydrophobicContact CD1-CG 4.24Å; M685-E722 HydrophobicContact SD-CB 4Å; M685-E722 HydrophobicContact SD-CG 4.12Å; D720-E722 VanDerWaalsContact C-N 3.34Å; D720-E722 PolarHBondContact O-N 3.21Å; D720-E722 WeakPolarHBondContact OD1-CA 3.46Å; D720-E722 VanDerWaalsContact OD1-CB 3.31Å; D720-E722 WeakPolarHBondContact OD1-CB 3.27Å; D720-E722 PolarHBondContact OD1-N 3.04Å; E722-R724 VanDerWaalsContact C-N 3.33Å; E722-R724 PolarHBondContact O-N 3.17Å; E722-T725 CarbonylContact O-C 3.58Å; E722-T725 WeakPolarHBondContact O-CA 3.31Å; E722-T725 PolarHBondContact O-N 3.32Å; E722-R726 PolarHBondContact O-N 2.88Å; E722-R726 IonicContact OE1-CZ 2.7Å; E722-R726 IonicContact OE1-NE 3.52Å; E722-R726 PolarHBondContact OE1-NE 2.62Å; E722-R726 IonicContact OE1-NH2 2.76Å; E722-R726 PolarHBondContact OE1-NH2 3.23Å
723	K	90.7	Very high	92.2	Very high	61 Å²	61	29.4 Å²	29.4	27%	0.265	15%	0.147	S	C	.	.	H	α-helix	trans	-67.1	-31.7	178.8	-64.3	-170.9	-174.4	-142.4	0	112.6	L719 D720 T725 M727 E795	L719-K723 HydrophobicContact CB-CB 4.04Å; L719-K723 HydrophobicContact CD1-CB 4Å; L719-K723 HydrophobicContact CD2-CB 3.93Å; L719-K723 HydrophobicContact CD2-CD 4.01Å; L719-K723 HydrophobicContact CG-CB 4.2Å; D720-K723 PolarHBondContact O-N 3.05Å; D720-K723 PolarHBondContact OD1-N 2.93Å; D720-K723 WeakPolarHBondContact OD2-CD 3.4Å; D720-K723 WeakPolarHBondContact OD2-CG 3.47Å; K723-T725 VanDerWaalsContact C-N 3.33Å; K723-M727 WeakPolarHBondContact O-CB 3.28Å; K723-M727 PolarHBondContact O-N 2.81Å; K723-E795 IonicContact NZ-OE1 2.7Å; K723-E795 PolarHBondContact NZ-OE1 3.3Å
724	R	93.9	Very high	91.5	Very high	48 Å²	48	29.8 Å²	29.8	18%	0.181	15%	0.149	C	C	.	.	H	α-helix	trans	-61.4	-39.6	167.1	-67.8	169.5	-155.8	180	1.8	111.9	I688 L716 R717 L719 D720 E722 M727 L728	I688-R724 HydrophobicContact CB-CB 4.45Å; I688-R724 HydrophobicContact CD1-CB 3.94Å; L716-R724 HydrophobicContact CD1-CB 4.44Å; L716-R724 HydrophobicContact CD1-CG 4.03Å; R717-R724 PolarHBondContact O-NH2 3.18Å; L719-R724 HydrophobicContact CB-CG 4.1Å; L719-R724 VanDerWaalsContact O-CZ 3.23Å; L719-R724 PolarHBondContact O-NE 3.46Å; L719-R724 PolarHBondContact O-NH2 3Å; D720-R724 VanDerWaalsContact O-CG 3.27Å; D720-R724 WeakPolarHBondContact O-CG 3.25Å; D720-R724 PolarHBondContact O-N 3.49Å; E722-R724 VanDerWaalsContact C-N 3.33Å; E722-R724 PolarHBondContact O-N 3.17Å; R724-M727 WeakPolarHBondContact O-CB 3.39Å; R724-M727 PolarHBondContact O-N 2.9Å; R724-L728 PolarHBondContact O-N 3.4Å
725	T	91.1	Very high	90.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-75.1	-36.8	179.4	-49.9	0	0	0	0	111.8	L680 M685 I688 N721 E722 K723 M727 L728 Q729 C735	L680-T725 HydrophobicContact CD2-CG2 3.56Å; M685-T725 HydrophobicContact CG-CG2 4.32Å; I688-T725 HydrophobicContact CD1-CG2 4.48Å; I688-T725 WeakPolarHBondContact CD1-OG1 3.34Å; N721-T725 PolarHBondContact O-N 2.89Å; N721-T725 PolarHBondContact O-OG1 3.07Å; E722-T725 CarbonylContact O-C 3.58Å; E722-T725 WeakPolarHBondContact O-CA 3.31Å; E722-T725 PolarHBondContact O-N 3.32Å; K723-T725 VanDerWaalsContact C-N 3.33Å; T725-M727 VanDerWaalsContact C-N 3.32Å; T725-M727 PolarHBondContact O-N 2.75Å; T725-L728 WeakPolarHBondContact O-CB 3.48Å; T725-L728 PolarHBondContact O-N 3.28Å; T725-Q729 WeakPolarHBondContact O-CG 3.33Å; T725-Q729 PolarHBondContact O-N 2.9Å; T725-C735 HydrophobicContact CG2-CB 3.63Å
726	R	90.2	Very high	90.2	Very high	26 Å²	26	26 Å²	26	10%	0.098	13%	0.131	C	C	.	.	H	α-helix	trans	-59.7	-41.1	168.2	-68.4	-176.4	-175.4	-101.6	2	111.6	D674 E677 E722 L728 Q729 F730	D674-R726 IonicContact OD2-NH1 2.74Å; E677-R726 IonicContact OE1-CZ 3.16Å; E677-R726 IonicContact OE1-NH1 3.21Å; E677-R726 PolarHBondContact OE1-NH1 3.16Å; E677-R726 IonicContact OE1-NH2 2.71Å; E677-R726 PolarHBondContact OE1-NH2 2.84Å; E722-R726 PolarHBondContact O-N 2.88Å; E722-R726 IonicContact OE1-CZ 2.7Å; E722-R726 IonicContact OE1-NE 3.52Å; E722-R726 PolarHBondContact OE1-NE 2.62Å; E722-R726 IonicContact OE1-NH2 2.76Å; E722-R726 PolarHBondContact OE1-NH2 3.23Å; R726-L728 VanDerWaalsContact C-N 3.35Å; R726-Q729 PolarHBondContact O-N 3.4Å; R726-F730 WeakPolarHBondContact O-CB 3.37Å; R726-F730 PolarHBondContact O-N 3.07Å
727	M	93.7	Very high	89.6	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.2	-35	174.5	-177.4	68.8	-138.8	0	0	112.6	W693 F712 L716 K723 R724 T725 F730 V731 L775 M790 I794	W693-M727 HydrophobicContact CH2-CB 4.47Å; W693-M727 HydrophobicContact CH2-CG 4.12Å; F712-M727 HydrophobicContact CE2-CE 3.76Å; F712-M727 HydrophobicContact CE2-SD 4.36Å; F712-M727 HydrophobicContact CZ-CE 4.09Å; L716-M727 HydrophobicContact CD1-CB 4.33Å; L716-M727 HydrophobicContact CD1-CG 4.01Å; K723-M727 WeakPolarHBondContact O-CB 3.28Å; K723-M727 PolarHBondContact O-N 2.81Å; R724-M727 WeakPolarHBondContact O-CB 3.39Å; R724-M727 PolarHBondContact O-N 2.9Å; T725-M727 VanDerWaalsContact C-N 3.32Å; T725-M727 PolarHBondContact O-N 2.75Å; M727-F730 HydrophobicContact CE-CD1 4.05Å; M727-F730 HydrophobicContact SD-CD1 4.42Å; M727-V731 HydrophobicContact CE-CG2 3.56Å; M727-L775 HydrophobicContact CE-CD1 4.1Å; M727-L775 HydrophobicContact CE-CD2 3.89Å; M727-M790 HydrophobicContact CE-CE 3.85Å; M727-M790 HydrophobicContact SD-CE 3.67Å; M727-I794 HydrophobicContact CB-CD1 4.48Å; M727-I794 HydrophobicContact CB-CG2 4.29Å; M727-I794 HydrophobicContact SD-CG2 3.64Å
728	L	92.6	Very high	88.9	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.6	-55	172	-175.1	67.2	0	0	0	110.6	I688 W693 R724 T725 R726 F730 V731 T732 V737 F742	I688-L728 HydrophobicContact CD1-CB 4.39Å; I688-L728 HydrophobicContact CD1-CD2 4.23Å; W693-L728 HydrophobicContact CH2-CB 4.1Å; W693-L728 HydrophobicContact CH2-CD1 4.2Å; W693-L728 HydrophobicContact CZ2-CD1 4.19Å; R724-L728 PolarHBondContact O-N 3.4Å; T725-L728 WeakPolarHBondContact O-CB 3.48Å; T725-L728 PolarHBondContact O-N 3.28Å; R726-L728 VanDerWaalsContact C-N 3.35Å; L728-F730 PolarHBondContact O-N 3.41Å; L728-V731 PolarHBondContact O-N 3.11Å; L728-T732 HydrophobicContact CD1-CG2 3.68Å; L728-T732 HydrophobicContact CG-CG2 4.29Å; L728-T732 PolarHBondContact O-N 3.27Å; L728-T732 PolarHBondContact O-OG1 2.87Å; L728-V737 HydrophobicContact CD2-CG2 3.7Å; L728-F742 HydrophobicContact CD1-CE1 3.64Å; L728-F742 HydrophobicContact CD1-CZ 4.02Å
729	Q	89.1	Confident	88	Confident	3 Å²	3	20.7 Å²	20.7	1%	0.014	11%	0.107	C	C	.	.	H	α-helix	trans	-52.7	-40.1	176.6	-75.3	176.2	-53.2	0	0	112.5	R676 E679 T725 R726 V731 G733 C735	R676-Q729 PolarHBondContact O-NE2 2.89Å; E679-Q729 PolarHBondContact OE2-NE2 3.4Å; T725-Q729 WeakPolarHBondContact O-CG 3.33Å; T725-Q729 PolarHBondContact O-N 2.9Å; R726-Q729 PolarHBondContact O-N 3.4Å; Q729-V731 VanDerWaalsContact C-N 3.29Å; Q729-V731 PolarHBondContact O-N 2.91Å; Q729-G733 VanDerWaalsContact O-CA 3.28Å; Q729-G733 WeakPolarHBondContact O-CA 3.47Å; Q729-G733 PolarHBondContact O-N 3.39Å; Q729-C735 HydrophobicContact CG-CB 3.77Å
730	F	90.7	Very high	87.4	Confident	8 Å²	8	21.6 Å²	21.6	4%	0.035	12%	0.12	C	C	.	.	H	α-helix	trans	-58.7	-37.3	176.8	175.5	-118.5	0	0	0	112.9	R726 M727 L728 S768 L775 M790 A793 I794 T797	R726-F730 WeakPolarHBondContact O-CB 3.37Å; R726-F730 PolarHBondContact O-N 3.07Å; M727-F730 HydrophobicContact CE-CD1 4.05Å; M727-F730 HydrophobicContact SD-CD1 4.42Å; L728-F730 PolarHBondContact O-N 3.41Å; F730-S768 WeakPolarHBondContact O-CB 3.33Å; F730-S768 PolarHBondContact O-OG 3.17Å; F730-L775 HydrophobicContact CD1-CD1 4.41Å; F730-L775 HydrophobicContact CE1-CD1 3.78Å; F730-M790 HydrophobicContact CD1-CE 4.35Å; F730-M790 HydrophobicContact CE1-CE 3.99Å; F730-A793 HydrophobicContact CE1-CB 4.39Å; F730-A793 HydrophobicContact CE2-CB 4.48Å; F730-A793 HydrophobicContact CZ-CB 4.04Å; F730-I794 HydrophobicContact CB-CG2 4.03Å; F730-I794 HydrophobicContact CD1-CG2 4.03Å; F730-I794 HydrophobicContact CG-CG2 4.08Å; F730-T797 HydrophobicContact CD2-CG2 3.8Å; F730-T797 HydrophobicContact CE2-CG2 3.64Å
731	V	91.5	Very high	87.2	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-101.4	-25	-173.6	-177.7	0	0	0	0	114.1	M727 L728 Q729 F754 T770 N773 L775	M727-V731 HydrophobicContact CE-CG2 3.56Å; L728-V731 PolarHBondContact O-N 3.11Å; Q729-V731 VanDerWaalsContact C-N 3.29Å; Q729-V731 PolarHBondContact O-N 2.91Å; V731-F754 HydrophobicContact CB-CD2 4.37Å; V731-F754 HydrophobicContact CB-CE2 3.77Å; V731-F754 HydrophobicContact CG1-CD2 3.76Å; V731-F754 HydrophobicContact CG1-CE2 3.41Å; V731-F754 VanDerWaalsContact CG1-CE2 3.41Å; V731-F754 HydrophobicContact CG1-CZ 4.34Å; V731-F754 HydrophobicContact CG2-CE2 4.06Å; V731-T770 WeakPolarHBondContact O-CA 3.13Å; V731-N773 WeakPolarHBondContact O-CA 3.29Å; V731-L775 HydrophobicContact CG1-CB 4.3Å; V731-L775 HydrophobicContact CG2-CB 4.09Å; V731-L775 HydrophobicContact CG2-CD1 4.08Å
732	T	86.8	Confident	87.3	Confident	11 Å²	11	17.6 Å²	17.6	7%	0.067	10%	0.102	C	C	.	.	H	α-helix	trans	-109.1	-15.3	-178.1	67.9	0	0	0	0	113.7	L728 T734 L745 N773	L728-T732 HydrophobicContact CD1-CG2 3.68Å; L728-T732 HydrophobicContact CG-CG2 4.29Å; L728-T732 PolarHBondContact O-N 3.27Å; L728-T732 PolarHBondContact O-OG1 2.87Å; T732-T734 VanDerWaalsContact C-N 3.29Å; T732-T734 PolarHBondContact OG1-N 3.11Å; T732-T734 PolarHBondContact OG1-O 3.25Å; T732-L745 HydrophobicContact CG2-CD1 4.4Å; T732-L745 HydrophobicContact CG2-CD2 4.15Å; T732-N773 WeakPolarHBondContact CA-OD1 3.39Å; T732-N773 WeakPolarHBondContact CB-OD1 3.42Å; T732-N773 WeakPolarHBondContact CG2-OD1 3.34Å
733	G	81.5	Confident	87.6	Confident	20 Å²	20	18 Å²	18	21%	0.206	11%	0.111	C	C	.	.	S	Bend	trans	76.2	8.2	-172.3	0	0	0	0	0	114.9	M561 Q729	M561-G733 VanDerWaalsContact CE-O 3.23Å; M561-G733 WeakPolarHBondContact CE-O 3.38Å; Q729-G733 VanDerWaalsContact O-CA 3.28Å; Q729-G733 WeakPolarHBondContact O-CA 3.47Å; Q729-G733 PolarHBondContact O-N 3.39Å
734	T	83.4	Confident	87.4	Confident	14 Å²	14	19.8 Å²	19.8	9%	0.086	12%	0.12	C	C	.	.	S	Bend	trans	-153	149.5	178	-174.4	0	0	0	0	113	E679 T732 R736	E679-T734 WeakPolarHBondContact OE1-CA 3.3Å; E679-T734 VanDerWaalsContact OE1-CB 3.28Å; E679-T734 WeakPolarHBondContact OE1-CB 3.4Å; E679-T734 PolarHBondContact OE1-OG1 2.74Å; E679-T734 WeakPolarHBondContact OE2-CA 3.48Å; T732-T734 VanDerWaalsContact C-N 3.29Å; T732-T734 PolarHBondContact OG1-N 3.11Å; T732-T734 PolarHBondContact OG1-O 3.25Å; T734-R736 PolarHBondContact O-N 3.4Å; T734-R736 PolarHBondContact OG1-NE 2.72Å; T734-R736 PolarHBondContact OG1-NH2 3.28Å; T734-R736 VanDerWaalsContact OG1-NH2 3.1Å
735	C	84.4	Confident	87.1	Confident	1 Å²	1	17.8 Å²	17.8	1%	0.007	11%	0.113	C	C	.	.	S	Bend	trans	-74.8	-4	178.5	70.8	0	0	0	0	114.9	E679 L680 T725 Q729	E679-C735 PolarHBondContact OE1-N 2.88Å; E679-C735 PolarHBondContact OE2-N 2.85Å; L680-C735 HydrophobicContact CD2-CB 3.51Å; T725-C735 HydrophobicContact CG2-CB 3.63Å; Q729-C735 HydrophobicContact CG-CB 3.77Å
736	R	82.9	Confident	86.7	Confident	23 Å²	23	19.4 Å²	19.4	9%	0.087	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-97.8	136.8	-169.4	-65.4	168.7	-71.3	162.5	-4.1	112.1	Y520 S557 E679 T734	Y520-R736 VanDerWaalsContact O-CZ 3.31Å; Y520-R736 PolarHBondContact O-NH1 3.46Å; Y520-R736 PolarHBondContact O-NH2 2.89Å; S557-R736 PolarHBondContact OG-NH1 3.04Å; E679-R736 IonicContact OE1-NE 3.33Å; E679-R736 IonicContact OE1-NH2 2.75Å; T734-R736 PolarHBondContact O-N 3.4Å; T734-R736 PolarHBondContact OG1-NE 2.72Å; T734-R736 PolarHBondContact OG1-NH2 3.28Å; T734-R736 VanDerWaalsContact OG1-NH2 3.1Å
737	V	84.7	Confident	86.3	Confident	15 Å²	15	18.2 Å²	18.2	9%	0.091	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-98.7	142.9	164.4	-171.8	0	0	0	0	108.7	L728 F742	L728-V737 HydrophobicContact CD2-CG2 3.7Å; V737-F742 HydrophobicContact CG1-CD2 4Å; V737-F742 HydrophobicContact CG1-CE2 4.01Å; V737-F742 HydrophobicContact CG1-CG 4.39Å; V737-F742 HydrophobicContact CG1-CZ 4.41Å; V737-F742 HydrophobicContact CG2-CE2 3.96Å; V737-F742 HydrophobicContact CG2-CZ 3.83Å
738	P	82.3	Confident	85.3	Confident	7 Å²	7	18.7 Å²	18.7	5%	0.045	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-60.8	164.2	173.6	-27.1	37	0	0	0	114.6	Y520 G740 G741 Q744 L745	Y520-P738 HydrophobicContact CE2-CG 3.87Å; Y520-P738 WeakPolarHBondContact OH-CB 3.4Å; Y520-P738 WeakPolarHBondContact OH-CG 3.46Å; P738-G740 PolarHBondContact O-N 3.03Å; P738-G741 PolarHBondContact O-N 3.04Å; P738-Q744 HydrophobicContact CB-CB 3.93Å; P738-Q744 HydrophobicContact CG-CB 4.47Å; P738-L745 HydrophobicContact CG-CD1 4.26Å
739	V	76.3	Confident	84.5	Confident	49 Å²	49	23.5 Å²	23.5	30%	0.297	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-46.2	179.9	-177.7	0	0	0	0	112.4	Q314 Q318 G741	Q314-V739 HydrophobicContact CB-CG1 3.82Å; Q318-V739 PolarHBondContact NE2-O 2.91Å; V739-G741 PolarHBondContact O-N 2.94Å
740	G	80.2	Confident	84.1	Confident	32 Å²	32	24.2 Å²	24.2	33%	0.33	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	30.4	173.3	0	0	0	0	0	115.3	P738 Q744	P738-G740 PolarHBondContact O-N 3.03Å; G740-Q744 VanDerWaalsContact CA-CD 3.47Å
741	G	87.3	Confident	83.9	Confident	17 Å²	17	29.9 Å²	29.9	18%	0.175	18%	0.184	C	C	.	.			trans	69.4	-160.8	175	0	0	0	0	0	114.6	P738 V739 A743 Q744	P738-G741 PolarHBondContact O-N 3.04Å; V739-G741 PolarHBondContact O-N 2.94Å; G741-A743 PolarHBondContact O-N 2.85Å; G741-Q744 PolarHBondContact O-N 2.82Å; G741-Q744 VanDerWaalsContact O-N 3.11Å
742	F	93	Very high	83.7	Confident	4 Å²	4	32.2 Å²	32.2	2%	0.018	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-67.1	-20.4	-179.9	-73.6	-92.4	0	0	0	112.6	I688 D692 W693 N696 L728 V737 Q744 L745 L753	I688-F742 HydrophobicContact CG2-CE2 4.26Å; I688-F742 HydrophobicContact CG2-CZ 4.14Å; D692-F742 WeakPolarHBondContact OD2-CB 3.48Å; D692-F742 PolarHBondContact OD2-N 2.93Å; W693-F742 HydrophobicContact CB-CD1 4.12Å; W693-F742 HydrophobicContact CB-CD2 3.76Å; W693-F742 HydrophobicContact CB-CE1 4.03Å; W693-F742 HydrophobicContact CB-CE2 3.67Å; W693-F742 HydrophobicContact CB-CG 3.99Å; W693-F742 HydrophobicContact CB-CZ 3.81Å; W693-F742 AromaticContact CD1-CD1 3.61Å; W693-F742 AromaticContact CD1-CE1 3.59Å; W693-F742 HydrophobicContact CD2-CD1 4.27Å; W693-F742 AromaticContact CD2-CE1 3.48Å; W693-F742 HydrophobicContact CD2-CE1 3.48Å; W693-F742 VanDerWaalsContact CD2-CE1 3.48Å; W693-F742 HydrophobicContact CD2-CE2 4.27Å; W693-F742 AromaticContact CD2-CZ 3.49Å; W693-F742 HydrophobicContact CD2-CZ 3.49Å; W693-F742 VanDerWaalsContact CD2-CZ 3.49Å; W693-F742 AromaticContact CE2-CE1 3.72Å; W693-F742 HydrophobicContact CE3-CE1 4.06Å; W693-F742 HydrophobicContact CE3-CE2 4.39Å; W693-F742 AromaticContact CE3-CZ 3.63Å; W693-F742 HydrophobicContact CE3-CZ 3.63Å; W693-F742 AromaticContact CG-CD1 3.75Å; W693-F742 HydrophobicContact CG-CD1 3.75Å; W693-F742 HydrophobicContact CG-CD2 4.25Å; W693-F742 AromaticContact CG-CE1 3.44Å; W693-F742 HydrophobicContact CG-CE1 3.44Å; W693-F742 VanDerWaalsContact CG-CE1 3.44Å; W693-F742 AromaticContact CG-CE2 3.99Å; W693-F742 HydrophobicContact CG-CE2 3.99Å; W693-F742 HydrophobicContact CG-CG 4.15Å; W693-F742 AromaticContact CG-CZ 3.58Å; W693-F742 HydrophobicContact CG-CZ 3.58Å; W693-F742 HydrophobicContact CZ2-CE1 4.45Å; W693-F742 HydrophobicContact CZ3-CZ 4.37Å; W693-F742 AromaticContact NE1-CE1 3.77Å; N696-F742 HydrophobicContact CB-CB 3.88Å; L728-F742 HydrophobicContact CD1-CE1 3.64Å; L728-F742 HydrophobicContact CD1-CZ 4.02Å; V737-F742 HydrophobicContact CG1-CD2 4Å; V737-F742 HydrophobicContact CG1-CE2 4.01Å; V737-F742 HydrophobicContact CG1-CG 4.39Å; V737-F742 HydrophobicContact CG1-CZ 4.41Å; V737-F742 HydrophobicContact CG2-CE2 3.96Å; V737-F742 HydrophobicContact CG2-CZ 3.83Å; F742-Q744 PolarHBondContact O-N 3.36Å; F742-L745 WeakPolarHBondContact O-CB 3.47Å; F742-L745 PolarHBondContact O-N 2.81Å; F742-L753 VanDerWaalsContact O-CD2 3.31Å; F742-L753 WeakPolarHBondContact O-CD2 3.49Å
743	A	92.8	Very high	84	Confident	40 Å²	40	34 Å²	34	33%	0.331	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-60.8	-22	171.8	0	0	0	0	0	113.7	N696 G741	N696-A743 PolarHBondContact ND2-N 3.35Å; N696-A743 WeakPolarHBondContact OD1-CB 3.27Å; G741-A743 PolarHBondContact O-N 2.85Å
744	Q	88.2	Confident	84.8	Confident	98 Å²	98	33.1 Å²	33.1	46%	0.458	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-109.7	12.1	-179.1	-67.4	-170.8	1.1	0	0	114	P738 G740 G741 F742 Q746	P738-Q744 HydrophobicContact CB-CB 3.93Å; P738-Q744 HydrophobicContact CG-CB 4.47Å; G740-Q744 VanDerWaalsContact CA-CD 3.47Å; G741-Q744 PolarHBondContact O-N 2.82Å; G741-Q744 VanDerWaalsContact O-N 3.11Å; F742-Q744 PolarHBondContact O-N 3.36Å; Q744-Q746 PolarHBondContact O-N 2.93Å
745	L	87.6	Confident	85.4	Confident	5 Å²	5	32.5 Å²	32.5	3%	0.026	19%	0.19	C	C	.	.			trans	-57.3	131.1	-177.9	-159.2	69.3	0	0	0	111.6	T732 P738 F742 Q752 F754 N773	T732-L745 HydrophobicContact CG2-CD1 4.4Å; T732-L745 HydrophobicContact CG2-CD2 4.15Å; P738-L745 HydrophobicContact CG-CD1 4.26Å; F742-L745 WeakPolarHBondContact O-CB 3.47Å; F742-L745 PolarHBondContact O-N 2.81Å; L745-Q752 CarbonylContact O-C 3.49Å; L745-Q752 PolarHBondContact O-N 3.14Å; L745-F754 HydrophobicContact CD2-CB 3.93Å; L745-N773 HydrophobicContact CD2-CB 3.67Å; L745-N773 VanDerWaalsContact CD2-CG 3.46Å
746	Q	81.8	Confident	86.1	Confident	34 Å²	34	32.5 Å²	32.5	16%	0.159	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	151.6	179	-61.2	177.6	34.5	0	0	111	Y520 Q744 G750 N773	Y520-Q746 HydrophobicContact CD2-CB 4.06Å; Y520-Q746 HydrophobicContact CD2-CG 4.45Å; Y520-Q746 HydrophobicContact CE2-CB 3.63Å; Y520-Q746 HydrophobicContact CE2-CG 3.6Å; Y520-Q746 PolarHBondContact OH-NE2 2.81Å; Q744-Q746 PolarHBondContact O-N 2.93Å; Q746-G750 CarbonylContact C-O 3.59Å; Q746-G750 VanDerWaalsContact CA-O 3.31Å; Q746-G750 WeakPolarHBondContact CA-O 3.43Å; Q746-N773 PolarHBondContact O-ND2 3.4Å
747	G	81	Confident	86.8	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	-166	168.4	0	0	0	0	0	110	N749 G750 C771	G747-N749 PolarHBondContact O-N 2.83Å; G747-G750 PolarHBondContact N-O 2.54Å; G747-G750 PolarHBondContact O-N 3.37Å; G747-G750 VanDerWaalsContact O-N 3.14Å; G747-C771 CarbonylContact C-O 3.49Å; G747-C771 VanDerWaalsContact CA-O 3.28Å; G747-C771 WeakPolarHBondContact CA-O 3.29Å
748	S	73.7	Confident	87.4	Confident	10 Å²	10	36.6 Å²	36.6	7%	0.07	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.5	-174.3	64.1	0	0	0	0	114.8	R517 C771	R517-S748 WeakPolarHBondContact CB-O 3.35Å; R517-S748 WeakPolarHBondContact CG-O 3.42Å; R517-S748 PolarHBondContact N-O 2.88Å; S748-C771 PolarHBondContact N-O 3.1Å
749	N	76.2	Confident	87.9	Confident	102 Å²	102	38.1 Å²	38.1	55%	0.545	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	3.4	-176.5	-72	-27.2	0	0	0	114.1	G747	G747-N749 PolarHBondContact O-N 2.83Å
750	G	79.5	Confident	88.7	Confident	18 Å²	18	37.3 Å²	37.3	19%	0.186	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	108.3	-144.2	-172.6	0	0	0	0	0	112	Q746 G747 Q752	Q746-G750 CarbonylContact C-O 3.59Å; Q746-G750 VanDerWaalsContact CA-O 3.31Å; Q746-G750 WeakPolarHBondContact CA-O 3.43Å; G747-G750 PolarHBondContact N-O 2.54Å; G747-G750 PolarHBondContact O-N 3.37Å; G747-G750 VanDerWaalsContact O-N 3.14Å; G750-Q752 PolarHBondContact O-N 2.73Å
751	L	86.2	Confident	89.3	Confident	127 Å²	127	42 Å²	42	67%	0.665	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-58.6	118.3	-179.5	-174.8	73.2	0	0	0	111.1
752	Q	88.1	Confident	89.5	Confident	48 Å²	48	44.4 Å²	44.4	22%	0.224	24%	0.237	C	C	.	.			trans	-152.2	93.9	-170.5	175.9	50.5	50.6	0	0	109	L745 G750 F772 N773	L745-Q752 CarbonylContact O-C 3.49Å; L745-Q752 PolarHBondContact O-N 3.14Å; G750-Q752 PolarHBondContact O-N 2.73Å; Q752-F772 WeakPolarHBondContact CG-O 3.47Å; Q752-F772 PolarHBondContact NE2-O 3.39Å; Q752-N773 PolarHBondContact O-ND2 2.79Å
753	L	94.1	Very high	89.5	Confident	50 Å²	50	49.3 Å²	49.3	26%	0.262	26%	0.263	S	S	.	.			trans	-58.7	153.1	-179.6	-61.6	-179.8	0	0	0	112.4	N696 V698 F742 S755	N696-L753 HydrophobicContact CB-CD2 4.48Å; V698-L753 HydrophobicContact CG2-CB 4.08Å; V698-L753 HydrophobicContact CG2-CD1 3.95Å; F742-L753 VanDerWaalsContact O-CD2 3.31Å; F742-L753 WeakPolarHBondContact O-CD2 3.49Å; L753-S755 PolarHBondContact O-N 3.22Å
754	F	96.7	Very high	89.5	Confident	1 Å²	1	51 Å²	51	0%	0.004	26%	0.261	C	S	.	.			trans	-56.7	137.1	171.1	179	-88.6	0	0	0	110.3	W693 T697 V698 F712 V731 L745 I756 N773 L775	W693-F754 AromaticContact CD1-CD1 3.83Å; W693-F754 AromaticContact CD1-CG 3.9Å; W693-F754 AromaticContact CE2-CD2 3.97Å; W693-F754 AromaticContact CE2-CE2 3.8Å; W693-F754 AromaticContact CE2-CZ 3.97Å; W693-F754 HydrophobicContact CZ2-CD2 4.07Å; W693-F754 AromaticContact CZ2-CE2 3.56Å; W693-F754 HydrophobicContact CZ2-CE2 3.56Å; W693-F754 AromaticContact CZ2-CZ 3.9Å; W693-F754 HydrophobicContact CZ2-CZ 3.9Å; W693-F754 AromaticContact NE1-CD1 3.25Å; W693-F754 AromaticContact NE1-CD2 3.28Å; W693-F754 VanDerWaalsContact NE1-CD2 3.28Å; W693-F754 AromaticContact NE1-CE1 3.41Å; W693-F754 AromaticContact NE1-CE2 3.42Å; W693-F754 AromaticContact NE1-CG 3.18Å; W693-F754 AromaticContact NE1-CZ 3.5Å; T697-F754 WeakPolarHBondContact CA-O 3.33Å; T697-F754 HydrophobicContact CG2-CD1 3.74Å; T697-F754 HydrophobicContact CG2-CE1 4.08Å; T697-F754 VanDerWaalsContact OG1-CD1 3.32Å; T697-F754 WeakPolarHBondContact OG1-CD1 3.29Å; V698-F754 PolarHBondContact N-O 3.35Å; F712-F754 HydrophobicContact CE1-CE1 4.39Å; F712-F754 HydrophobicContact CE1-CZ 4.42Å; F712-F754 HydrophobicContact CZ-CE1 4.47Å; F712-F754 HydrophobicContact CZ-CZ 4.05Å; V731-F754 HydrophobicContact CB-CD2 4.37Å; V731-F754 HydrophobicContact CB-CE2 3.77Å; V731-F754 HydrophobicContact CG1-CD2 3.76Å; V731-F754 HydrophobicContact CG1-CE2 3.41Å; V731-F754 VanDerWaalsContact CG1-CE2 3.41Å; V731-F754 HydrophobicContact CG1-CZ 4.34Å; V731-F754 HydrophobicContact CG2-CE2 4.06Å; L745-F754 HydrophobicContact CD2-CB 3.93Å; F754-I756 HydrophobicContact CD1-CG1 4.5Å; F754-I756 HydrophobicContact CE1-CD1 4.08Å; F754-I756 HydrophobicContact CE1-CG1 3.68Å; F754-I756 HydrophobicContact CZ-CG1 4.35Å; F754-N773 CarbonylContact C-O 3.55Å; F754-N773 WeakPolarHBondContact CA-O 3.35Å; F754-L775 HydrophobicContact CZ-CB 4.47Å
755	S	96.8	Very high	89.7	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.007	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	145	-176.9	62.9	0	0	0	0	114.3	V698 L753 N773 R774 L775	V698-S755 CarbonylContact O-C 3.56Å; V698-S755 WeakPolarHBondContact O-CA 3.48Å; V698-S755 WeakPolarHBondContact O-CB 3.38Å; L753-S755 PolarHBondContact O-N 3.22Å; S755-N773 PolarHBondContact N-O 3.24Å; S755-R774 CarbonylContact O-C 3.56Å; S755-R774 WeakPolarHBondContact O-CA 3.16Å; S755-L775 PolarHBondContact O-N 3.01Å
756	I	98.1	Very high	90	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	122.5	176.5	-52.6	-177	0	0	0	108.6	T697 V698 Y699 R700 Y702 F712 F754 L775 L777	T697-I756 HydrophobicContact CG2-CD1 4.3Å; T697-I756 HydrophobicContact CG2-CG1 4.08Å; V698-I756 PolarHBondContact O-N 2.69Å; Y699-I756 HydrophobicContact CD1-CB 4.3Å; Y699-I756 HydrophobicContact CE1-CD1 4.13Å; R700-I756 PolarHBondContact N-O 2.75Å; Y702-I756 HydrophobicContact CD2-CG2 4.18Å; F712-I756 HydrophobicContact CD1-CD1 3.56Å; F712-I756 HydrophobicContact CE1-CD1 3.73Å; F712-I756 HydrophobicContact CG-CD1 4.06Å; F712-I756 HydrophobicContact CZ-CD1 4.36Å; F754-I756 HydrophobicContact CD1-CG1 4.5Å; F754-I756 HydrophobicContact CE1-CD1 4.08Å; F754-I756 HydrophobicContact CE1-CG1 3.68Å; F754-I756 HydrophobicContact CZ-CG1 4.35Å; I756-L775 WeakPolarHBondContact CA-O 3.47Å; I756-L775 HydrophobicContact CG1-CD2 4.44Å; I756-L777 HydrophobicContact CG2-CB 3.66Å; I756-L777 HydrophobicContact CG2-CD2 3.74Å; I756-L777 HydrophobicContact CG2-CG 4.36Å
757	E	97.7	Very high	90.5	Very high	24 Å²	24	51 Å²	51	11%	0.112	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	133.6	179.2	-170.2	148.3	-151.5	0	0	111.9	R700 H701 V759 R774 L775 L777	R700-E757 HydrophobicContact CB-CB 3.8Å; R700-E757 HydrophobicContact CB-CG 3.58Å; R700-E757 VanDerWaalsContact CD-CD 3.43Å; R700-E757 WeakPolarHBondContact CD-OE2 3.49Å; R700-E757 WeakPolarHBondContact O-CA 3.28Å; H701-E757 IonicContact CD2-OE1 2.72Å; H701-E757 PolarHBondContact CD2-OE1 3.33Å; E757-V759 HydrophobicContact CB-CG2 4.18Å; E757-V759 HydrophobicContact CG-CG2 3.81Å; E757-V759 PolarHBondContact O-N 3.25Å; E757-V759 VanDerWaalsContact O-N 3.14Å; E757-R774 HydrophobicContact CB-CG 4.22Å; E757-R774 VanDerWaalsContact OE2-CD 3.22Å; E757-R774 WeakPolarHBondContact OE2-CD 3.48Å; E757-R774 IonicContact OE2-CZ 2.76Å; E757-R774 IonicContact OE2-NE 3.3Å; E757-R774 IonicContact OE2-NH1 2.68Å; E757-R774 PolarHBondContact OE2-NH1 3.29Å; E757-L775 PolarHBondContact N-O 3.32Å; E757-L777 PolarHBondContact O-N 2.8Å
758	K	97.5	Very high	90.9	Very high	100 Å²	100	52.5 Å²	52.5	44%	0.435	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	100.7	175.2	-177.3	176.7	162.5	166.1	0	110.4	R700 H701 Y702 P779	R700-K758 PolarHBondContact O-N 3.36Å; H701-K758 HydrophobicContact CB-CB 3.79Å; Y702-K758 HydrophobicContact CD1-CB 4.39Å; Y702-K758 HydrophobicContact CD1-CD 4.43Å; Y702-K758 HydrophobicContact CD2-CB 3.61Å; Y702-K758 HydrophobicContact CE1-CB 4.25Å; Y702-K758 HydrophobicContact CE1-CD 3.97Å; Y702-K758 HydrophobicContact CE1-CG 4.21Å; Y702-K758 VanDerWaalsContact CE2-CA 3.49Å; Y702-K758 HydrophobicContact CE2-CB 3.42Å; Y702-K758 VanDerWaalsContact CE2-CB 3.42Å; Y702-K758 HydrophobicContact CE2-CG 3.91Å; Y702-K758 HydrophobicContact CG-CB 4.1Å; K758-P779 HydrophobicContact CD-CB 4.45Å
759	V	94.2	Very high	91.6	Very high	39 Å²	39	53.8 Å²	53.8	24%	0.236	27%	0.273	C	S	.	.			trans	-126.2	144.8	180	-173.8	0	0	0	0	110.5	E757 D776 P778	E757-V759 HydrophobicContact CB-CG2 4.18Å; E757-V759 HydrophobicContact CG-CG2 3.81Å; E757-V759 PolarHBondContact O-N 3.25Å; E757-V759 VanDerWaalsContact O-N 3.14Å; V759-D776 HydrophobicContact CB-CB 3.97Å; V759-D776 WeakPolarHBondContact CG1-OD2 3.46Å; V759-D776 HydrophobicContact CG2-CB 4.12Å; V759-D776 WeakPolarHBondContact CG2-OD2 3.33Å; V759-P778 VanDerWaalsContact O-CA 3.3Å; V759-P778 WeakPolarHBondContact O-CA 3.44Å
760	G	91.7	Very high	92	Very high	33 Å²	33	50.3 Å²	50.3	34%	0.34	26%	0.256	S	S	.	.	S	Bend	trans	82.8	-161.5	166.7	0	0	0	0	0	117.1
761	K	93.2	Very high	92.1	Very high	130 Å²	130	49.9 Å²	49.9	57%	0.565	25%	0.25	S	C	*	.			trans	-116.1	156	-173.1	-62.9	173.3	-176.1	168.3	0	110.7	N763 W764 P778	K761-N763 WeakPolarHBondContact CB-OD1 3.47Å; K761-N763 PolarHBondContact O-N 2.88Å; K761-W764 HydrophobicContact CB-CD2 4.39Å; K761-W764 HydrophobicContact CB-CG 4.24Å; K761-W764 HydrophobicContact CD-CZ2 4.43Å; K761-W764 WeakPolarHBondContact O-CB 3.33Å; K761-W764 PolarHBondContact O-N 2.98Å; K761-P778 WeakPolarHBondContact O-CB 3.23Å
762	E	91.6	Very high	92.1	Very high	68 Å²	68	47.1 Å²	47.1	32%	0.318	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-19.6	-176.2	-54.6	166.8	123.8	0	0	114.7	P779 Y780 R781 Q785	E762-P779 HydrophobicContact CG-CG 4.45Å; E762-Y780 WeakPolarHBondContact O-CD1 3.46Å; E762-Y780 WeakPolarHBondContact O-CE1 3.42Å; E762-R781 WeakPolarHBondContact OE1-CG 3.31Å; E762-R781 IonicContact OE1-CZ 2.95Å; E762-R781 IonicContact OE1-NE 2.73Å; E762-R781 PolarHBondContact OE1-NE 2.8Å; E762-R781 IonicContact OE1-NH2 2.71Å; E762-R781 IonicContact OE2-CZ 3.28Å; E762-R781 VanDerWaalsContact OE2-CZ 3.3Å; E762-R781 IonicContact OE2-NE 2.77Å; E762-R781 PolarHBondContact OE2-NE 3.1Å; E762-R781 VanDerWaalsContact OE2-NE 3.11Å; E762-R781 IonicContact OE2-NH2 2.78Å; E762-R781 PolarHBondContact OE2-NH2 2.95Å; E762-Q785 PolarHBondContact O-NE2 2.94Å
763	N	92.2	Very high	92.2	Very high	106 Å²	106	44.9 Å²	44.9	57%	0.567	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-20.2	178	65.7	-58.7	0	0	0	113.8	K761 K789	K761-N763 WeakPolarHBondContact CB-OD1 3.47Å; K761-N763 PolarHBondContact O-N 2.88Å; N763-K789 PolarHBondContact O-NZ 3.08Å
764	W	93	Very high	92.3	Very high	77 Å²	77	45 Å²	45	29%	0.292	22%	0.219	S	C	.	.	S	Bend	trans	-64.1	160.2	-179.6	-67.9	0.9	0	0	0	111.3	K761 P778 Y780	K761-W764 HydrophobicContact CB-CD2 4.39Å; K761-W764 HydrophobicContact CB-CG 4.24Å; K761-W764 HydrophobicContact CD-CZ2 4.43Å; K761-W764 WeakPolarHBondContact O-CB 3.33Å; K761-W764 PolarHBondContact O-N 2.98Å; W764-P778 HydrophobicContact CB-CG 4.27Å; W764-Y780 PolarHBondContact O-OH 2.89Å; W764-Y780 VanDerWaalsContact O-OH 3.07Å
765	L	92.9	Very high	92.3	Very high	39 Å²	39	45 Å²	45	20%	0.204	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-79.9	155.2	163.9	-78.9	165	0	0	0	109.4	K789 K792 F800	L765-K789 HydrophobicContact CD2-CB 4.5Å; L765-K789 HydrophobicContact CD2-CD 3.72Å; L765-K789 HydrophobicContact CG-CD 4.43Å; L765-K792 HydrophobicContact CD2-CB 4.29Å; L765-K792 HydrophobicContact CD2-CD 4.15Å; L765-K792 HydrophobicContact CD2-CG 4.13Å; L765-F800 HydrophobicContact CD1-CD1 4.37Å; L765-F800 HydrophobicContact CD1-CE1 3.96Å; L765-F800 HydrophobicContact CD1-CE2 4.28Å; L765-F800 HydrophobicContact CD1-CZ 3.92Å
766	P	94.6	Very high	92.2	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.032	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-70.4	147.5	167.7	33.5	-30	0	0	0	108.8	L775 D776 Y780 K789 M790 A793	P766-L775 HydrophobicContact CB-CD1 4.23Å; P766-D776 VanDerWaalsContact CA-O 3.27Å; P766-D776 WeakPolarHBondContact CA-O 3.25Å; P766-D776 WeakPolarHBondContact CB-O 3.39Å; P766-Y780 VanDerWaalsContact CD-OH 3.22Å; P766-Y780 WeakPolarHBondContact CD-OH 3.36Å; P766-K789 WeakPolarHBondContact CD-O 3.26Å; P766-M790 HydrophobicContact CB-CE 4.05Å; P766-M790 HydrophobicContact CB-SD 3.96Å; P766-M790 HydrophobicContact CG-CE 3.56Å; P766-M790 HydrophobicContact CG-CG 4.22Å; P766-M790 HydrophobicContact CG-SD 3.79Å; P766-A793 HydrophobicContact CG-CB 3.54Å
767	R	91.8	Very high	92.2	Very high	93 Å²	93	45.1 Å²	45.1	35%	0.351	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	167	-179.4	-56.5	-170.4	-55.3	-159.4	8.2	109.9	D776 E803	R767-D776 HydrophobicContact CB-CB 4.15Å; R767-D776 PolarHBondContact N-O 3.33Å; R767-D776 VanDerWaalsContact N-O 3.08Å; R767-D776 WeakPolarHBondContact O-CB 3.2Å; R767-D776 PolarHBondContact O-N 2.79Å; R767-E803 IonicContact NH1-OE2 3.65Å; R767-E803 PolarHBondContact NH1-OE2 2.68Å
768	S	90.3	Very high	92.2	Very high	32 Å²	32	44.1 Å²	44.1	22%	0.224	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	156.1	177.9	53.5	0	0	0	0	112.1	F730 R774	F730-S768 WeakPolarHBondContact O-CB 3.33Å; F730-S768 PolarHBondContact O-OG 3.17Å; S768-R774 CarbonylContact C-O 3.6Å; S768-R774 VanDerWaalsContact CA-O 3.25Å; S768-R774 WeakPolarHBondContact CA-O 3.2Å
769	H	87.8	Confident	92.2	Very high	37 Å²	37	40.5 Å²	40.5	17%	0.171	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	102	166.4	-65.5	-82.2	0	0	0	108.2	E578 C771 F772 N773 R774 D776	E578-H769 IonicContact OE1-CE1 3.65Å; E578-H769 IonicContact OE1-CG 2.67Å; E578-H769 IonicContact OE1-ND1 3.76Å; E578-H769 PolarHBondContact OE1-ND1 2.77Å; E578-H769 WeakPolarHBondContact OE2-CA 3.4Å; H769-C771 VanDerWaalsContact C-N 3.31Å; H769-C771 PolarHBondContact O-N 3.26Å; H769-F772 HydrophobicContact CB-CD2 3.91Å; H769-F772 PolarHBondContact O-N 2.77Å; H769-F772 VanDerWaalsContact O-N 3.13Å; H769-N773 PolarHBondContact O-N 2.96Å; H769-R774 HydrophobicContact CB-CB 4.38Å; H769-R774 PolarHBondContact CD2-NH2 2.72Å; H769-R774 PolarHBondContact N-O 2.57Å; H769-R774 PolarHBondContact NE2-NH2 3.29Å; H769-R774 VanDerWaalsContact NE2-NH2 3.18Å; H769-R774 PolarHBondContact O-N 3Å; H769-R774 VanDerWaalsContact O-N 3.14Å; H769-D776 IonicContact CD2-OD1 3.18Å; H769-D776 IonicContact NE2-OD1 3.99Å; H769-D776 IonicContact NE2-OD2 3.99Å
770	T	85.2	Confident	92.3	Very high	29 Å²	29	38.7 Å²	38.7	18%	0.178	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-63.4	-40.1	-168	55.7	0	0	0	0	111.3	E578 V731 F772 N773	E578-T770 PolarHBondContact OE2-N 3.35Å; E578-T770 PolarHBondContact OE2-OG1 2.71Å; V731-T770 WeakPolarHBondContact O-CA 3.13Å; T770-F772 PolarHBondContact O-N 2.82Å; T770-F772 VanDerWaalsContact O-N 3.12Å; T770-N773 PolarHBondContact O-N 3.2Å; T770-N773 VanDerWaalsContact O-N 3.09Å; T770-N773 PolarHBondContact O-OD1 2.74Å
771	C	80.6	Confident	92.6	Very high	8 Å²	8	45.8 Å²	45.8	5%	0.054	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-64.3	-17.4	178.4	-74.5	0	0	0	0	115.4	E578 P582 G747 S748 H769	E578-C771 HydrophobicContact CG-CB 4.45Å; E578-C771 PolarHBondContact O-SG 3.4Å; P582-C771 HydrophobicContact CG-CB 4.26Å; G747-C771 CarbonylContact C-O 3.49Å; G747-C771 VanDerWaalsContact CA-O 3.28Å; G747-C771 WeakPolarHBondContact CA-O 3.29Å; S748-C771 PolarHBondContact N-O 3.1Å; H769-C771 VanDerWaalsContact C-N 3.31Å; H769-C771 PolarHBondContact O-N 3.26Å
772	F	86.5	Confident	92.8	Very high	69 Å²	69	42.3 Å²	42.3	30%	0.303	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-112.9	3.2	177.2	-54.5	-59	0	0	0	113	Q752 H769 T770 R774	Q752-F772 WeakPolarHBondContact CG-O 3.47Å; Q752-F772 PolarHBondContact NE2-O 3.39Å; H769-F772 HydrophobicContact CB-CD2 3.91Å; H769-F772 PolarHBondContact O-N 2.77Å; H769-F772 VanDerWaalsContact O-N 3.13Å; T770-F772 PolarHBondContact O-N 2.82Å; T770-F772 VanDerWaalsContact O-N 3.12Å; F772-R774 HydrophobicContact CB-CB 4.12Å; F772-R774 PolarHBondContact O-N 3.17Å
773	N	90.9	Very high	93.1	Very high	2 Å²	2	42 Å²	42	1%	0.011	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	41.7	-170	-60.3	-56	0	0	0	111.6	V731 T732 L745 Q746 Q752 F754 S755 H769 T770	V731-N773 WeakPolarHBondContact O-CA 3.29Å; T732-N773 WeakPolarHBondContact CA-OD1 3.39Å; T732-N773 WeakPolarHBondContact CB-OD1 3.42Å; T732-N773 WeakPolarHBondContact CG2-OD1 3.34Å; L745-N773 HydrophobicContact CD2-CB 3.67Å; L745-N773 VanDerWaalsContact CD2-CG 3.46Å; Q746-N773 PolarHBondContact O-ND2 3.4Å; Q752-N773 PolarHBondContact O-ND2 2.79Å; F754-N773 CarbonylContact C-O 3.55Å; F754-N773 WeakPolarHBondContact CA-O 3.35Å; S755-N773 PolarHBondContact N-O 3.24Å; H769-N773 PolarHBondContact O-N 2.96Å; T770-N773 PolarHBondContact O-N 3.2Å; T770-N773 VanDerWaalsContact O-N 3.09Å; T770-N773 PolarHBondContact O-OD1 2.74Å
774	R	94.5	Very high	93.3	Very high	52 Å²	52	43.1 Å²	43.1	20%	0.196	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	129.3	-171	-167.8	-179.6	87.2	-176.1	-5.9	111.9	S755 E757 S768 H769 F772 D776	S755-R774 CarbonylContact O-C 3.56Å; S755-R774 WeakPolarHBondContact O-CA 3.16Å; E757-R774 HydrophobicContact CB-CG 4.22Å; E757-R774 VanDerWaalsContact OE2-CD 3.22Å; E757-R774 WeakPolarHBondContact OE2-CD 3.48Å; E757-R774 IonicContact OE2-CZ 2.76Å; E757-R774 IonicContact OE2-NE 3.3Å; E757-R774 IonicContact OE2-NH1 2.68Å; E757-R774 PolarHBondContact OE2-NH1 3.29Å; S768-R774 CarbonylContact C-O 3.6Å; S768-R774 VanDerWaalsContact CA-O 3.25Å; S768-R774 WeakPolarHBondContact CA-O 3.2Å; H769-R774 HydrophobicContact CB-CB 4.38Å; H769-R774 PolarHBondContact CD2-NH2 2.72Å; H769-R774 PolarHBondContact N-O 2.57Å; H769-R774 PolarHBondContact NE2-NH2 3.29Å; H769-R774 VanDerWaalsContact NE2-NH2 3.18Å; H769-R774 PolarHBondContact O-N 3Å; H769-R774 VanDerWaalsContact O-N 3.14Å; F772-R774 HydrophobicContact CB-CB 4.12Å; F772-R774 PolarHBondContact O-N 3.17Å; R774-D776 IonicContact CZ-OD1 3.18Å; R774-D776 IonicContact NE-OD1 3.17Å; R774-D776 PolarHBondContact NE-OD1 3.42Å; R774-D776 IonicContact NH2-OD1 3.79Å; R774-D776 PolarHBondContact NH2-OD1 2.78Å; R774-D776 IonicContact NH2-OD2 3.81Å; R774-D776 PolarHBondContact NH2-OD2 2.99Å
775	L	96.6	Very high	93.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	114.7	166.4	178.3	65.1	0	0	0	109.7	F712 M727 F730 V731 F754 S755 I756 E757 P766 L777 M790	F712-L775 HydrophobicContact CD2-CD2 3.95Å; F712-L775 HydrophobicContact CE2-CD2 3.5Å; F712-L775 VanDerWaalsContact CE2-CD2 3.5Å; F712-L775 HydrophobicContact CZ-CD2 4.05Å; M727-L775 HydrophobicContact CE-CD1 4.1Å; M727-L775 HydrophobicContact CE-CD2 3.89Å; F730-L775 HydrophobicContact CD1-CD1 4.41Å; F730-L775 HydrophobicContact CE1-CD1 3.78Å; V731-L775 HydrophobicContact CG1-CB 4.3Å; V731-L775 HydrophobicContact CG2-CB 4.09Å; V731-L775 HydrophobicContact CG2-CD1 4.08Å; F754-L775 HydrophobicContact CZ-CB 4.47Å; S755-L775 PolarHBondContact O-N 3.01Å; I756-L775 WeakPolarHBondContact CA-O 3.47Å; I756-L775 HydrophobicContact CG1-CD2 4.44Å; E757-L775 PolarHBondContact N-O 3.32Å; P766-L775 HydrophobicContact CB-CD1 4.23Å; L775-L777 HydrophobicContact CD2-CB 4.5Å; L775-L777 HydrophobicContact CG-CB 4.33Å; L775-L777 PolarHBondContact O-N 3.37Å; L775-M790 HydrophobicContact CD1-CE 4.13Å; L775-M790 HydrophobicContact CD1-SD 4.33Å; L775-M790 HydrophobicContact CD2-SD 4.25Å
776	D	96.5	Very high	93.7	Very high	5 Å²	5	39.7 Å²	39.7	3%	0.027	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	101.3	166.1	-78.6	29.5	0	0	0	107.6	V759 P766 R767 H769 R774 P778	V759-D776 HydrophobicContact CB-CB 3.97Å; V759-D776 WeakPolarHBondContact CG1-OD2 3.46Å; V759-D776 HydrophobicContact CG2-CB 4.12Å; V759-D776 WeakPolarHBondContact CG2-OD2 3.33Å; P766-D776 VanDerWaalsContact CA-O 3.27Å; P766-D776 WeakPolarHBondContact CA-O 3.25Å; P766-D776 WeakPolarHBondContact CB-O 3.39Å; R767-D776 HydrophobicContact CB-CB 4.15Å; R767-D776 PolarHBondContact N-O 3.33Å; R767-D776 VanDerWaalsContact N-O 3.08Å; R767-D776 WeakPolarHBondContact O-CB 3.2Å; R767-D776 PolarHBondContact O-N 2.79Å; H769-D776 IonicContact CD2-OD1 3.18Å; H769-D776 IonicContact NE2-OD1 3.99Å; H769-D776 IonicContact NE2-OD2 3.99Å; R774-D776 IonicContact CZ-OD1 3.18Å; R774-D776 IonicContact NE-OD1 3.17Å; R774-D776 PolarHBondContact NE-OD1 3.42Å; R774-D776 IonicContact NH2-OD1 3.79Å; R774-D776 PolarHBondContact NH2-OD1 2.78Å; R774-D776 IonicContact NH2-OD2 3.81Å; R774-D776 PolarHBondContact NH2-OD2 2.99Å; D776-P778 WeakPolarHBondContact O-CD 3.47Å
777	L	97.4	Very high	93.8	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	114	-176.1	-178.5	62.2	0	0	0	110.7	Y702 Q708 F712 I756 E757 L775 Y780 L786 M790	Y702-L777 HydrophobicContact CE2-CB 4.16Å; Y702-L777 HydrophobicContact CE2-CD2 4.25Å; Y702-L777 HydrophobicContact CE2-CG 4.3Å; Y702-L777 PolarHBondContact OH-O 3.03Å; Q708-L777 HydrophobicContact CB-CD2 4.13Å; F712-L777 HydrophobicContact CB-CD2 4.41Å; I756-L777 HydrophobicContact CG2-CB 3.66Å; I756-L777 HydrophobicContact CG2-CD2 3.74Å; I756-L777 HydrophobicContact CG2-CG 4.36Å; E757-L777 PolarHBondContact O-N 2.8Å; L775-L777 HydrophobicContact CD2-CB 4.5Å; L775-L777 HydrophobicContact CG-CB 4.33Å; L775-L777 PolarHBondContact O-N 3.37Å; L777-Y780 HydrophobicContact CD1-CD2 4.26Å; L777-Y780 HydrophobicContact CD1-CE2 3.93Å; L777-L786 HydrophobicContact CD1-CD1 4.12Å; L777-L786 HydrophobicContact CD1-CG 4.49Å; L777-L786 HydrophobicContact CD2-CD1 4.41Å; L777-M790 HydrophobicContact CD1-SD 4.12Å
778	P	97.4	Very high	93.9	Very high	2 Å²	2	41 Å²	41	1%	0.013	19%	0.194	C	C	.	.			trans	-67.4	154.2	176.2	-24	35.1	0	0	0	113.9	Y702 V759 K761 W764 D776 Y780	Y702-P778 PolarHBondContact OH-O 3.21Å; V759-P778 VanDerWaalsContact O-CA 3.3Å; V759-P778 WeakPolarHBondContact O-CA 3.44Å; K761-P778 WeakPolarHBondContact O-CB 3.23Å; W764-P778 HydrophobicContact CB-CG 4.27Å; D776-P778 WeakPolarHBondContact O-CD 3.47Å; P778-Y780 HydrophobicContact CB-CD1 4.31Å; P778-Y780 HydrophobicContact CB-CE1 3.8Å; P778-Y780 HydrophobicContact CB-CE2 4.23Å; P778-Y780 HydrophobicContact CG-CE1 4.21Å; P778-Y780 HydrophobicContact CG-CE2 4.35Å; P778-Y780 WeakPolarHBondContact CG-OH 3.42Å; P778-Y780 WeakPolarHBondContact O-CD2 3.5Å; P778-Y780 PolarHBondContact O-N 3.36Å
779	P	97	Very high	94.2	Very high	24 Å²	24	41.4 Å²	41.4	16%	0.156	19%	0.192	C	C	.	.			trans	-79.4	55.2	-175.6	33.9	-37	0	0	0	113.7	Y702 K758 E762	Y702-P779 WeakPolarHBondContact OH-CA 3.34Å; K758-P779 HydrophobicContact CD-CB 4.45Å; E762-P779 HydrophobicContact CG-CG 4.45Å
780	Y	97.9	Very high	94.5	Very high	1 Å²	1	39.7 Å²	39.7	0%	0.004	18%	0.184	C	C	.	.			trans	-48.3	151.9	-179.1	-59.2	-54.7	0	0	0	114.1	Q708 W711 E762 W764 P766 L777 P778 Q785 L786 K789	Q708-Y780 PolarHBondContact NE2-O 3.18Å; W711-Y780 WeakPolarHBondContact CZ3-O 3.07Å; E762-Y780 WeakPolarHBondContact O-CD1 3.46Å; E762-Y780 WeakPolarHBondContact O-CE1 3.42Å; W764-Y780 PolarHBondContact O-OH 2.89Å; W764-Y780 VanDerWaalsContact O-OH 3.07Å; P766-Y780 VanDerWaalsContact CD-OH 3.22Å; P766-Y780 WeakPolarHBondContact CD-OH 3.36Å; L777-Y780 HydrophobicContact CD1-CD2 4.26Å; L777-Y780 HydrophobicContact CD1-CE2 3.93Å; P778-Y780 HydrophobicContact CB-CD1 4.31Å; P778-Y780 HydrophobicContact CB-CE1 3.8Å; P778-Y780 HydrophobicContact CB-CE2 4.23Å; P778-Y780 HydrophobicContact CG-CE1 4.21Å; P778-Y780 HydrophobicContact CG-CE2 4.35Å; P778-Y780 WeakPolarHBondContact CG-OH 3.42Å; P778-Y780 WeakPolarHBondContact O-CD2 3.5Å; P778-Y780 PolarHBondContact O-N 3.36Å; Y780-Q785 HydrophobicContact CD1-CG 3.81Å; Y780-Q785 HydrophobicContact CG-CG 4.23Å; Y780-L786 HydrophobicContact CD2-CB 3.77Å; Y780-L786 HydrophobicContact CD2-CD1 4.17Å; Y780-L786 HydrophobicContact CD2-CG 3.95Å; Y780-L786 HydrophobicContact CE2-CG 4.44Å; Y780-L786 HydrophobicContact CG-CB 4.39Å; Y780-K789 HydrophobicContact CE1-CB 4.1Å; Y780-K789 HydrophobicContact CE1-CD 4.4Å; Y780-K789 HydrophobicContact CE1-CG 3.82Å; Y780-K789 HydrophobicContact CE2-CB 4.16Å; Y780-K789 WeakPolarHBondContact OH-CB 3.28Å
781	R	96.4	Very high	94.9	Very high	183 Å²	183	40 Å²	40	69%	0.691	19%	0.186	S	C	*	.	S	Bend	trans	-82.7	-27.3	-172.2	-65.2	-175.7	-179.3	170.3	7.6	114.2	W711 E762	W711-R781 VanDerWaalsContact CH2-O 3.31Å; W711-R781 WeakPolarHBondContact CH2-O 3.43Å; E762-R781 WeakPolarHBondContact OE1-CG 3.31Å; E762-R781 IonicContact OE1-CZ 2.95Å; E762-R781 IonicContact OE1-NE 2.73Å; E762-R781 PolarHBondContact OE1-NE 2.8Å; E762-R781 IonicContact OE1-NH2 2.71Å; E762-R781 IonicContact OE2-CZ 3.28Å; E762-R781 VanDerWaalsContact OE2-CZ 3.3Å; E762-R781 IonicContact OE2-NE 2.77Å; E762-R781 PolarHBondContact OE2-NE 3.1Å; E762-R781 VanDerWaalsContact OE2-NE 3.11Å; E762-R781 IonicContact OE2-NH2 2.78Å; E762-R781 PolarHBondContact OE2-NH2 2.95Å
782	C	97.1	Very high	95.4	Very high	57 Å²	57	43.2 Å²	43.2	39%	0.385	20%	0.199	S	C	.	.	S	Bend	trans	-150.4	165	-177.1	63.3	0	0	0	0	111.9	Q784 Q785 L786	C782-Q784 PolarHBondContact O-N 2.94Å; C782-Q785 PolarHBondContact O-N 2.89Å; C782-L786 PolarHBondContact O-N 3.3Å
783	Y	97.7	Very high	95.6	Very high	62 Å²	62	40.1 Å²	40.1	24%	0.243	19%	0.187	C	C	.	.	H	α-helix	trans	-53.8	-49.4	174.9	176.1	-91.9	0	0	0	112.5	W711 E714 F715 S718 Q785 L786 A787	W711-Y783 HydrophobicContact CB-CD2 3.91Å; W711-Y783 AromaticContact CD1-CD2 3.97Å; W711-Y783 HydrophobicContact CG-CD2 4.09Å; E714-Y783 HydrophobicContact CB-CD2 4.47Å; E714-Y783 HydrophobicContact CB-CE2 3.95Å; E714-Y783 HydrophobicContact CG-CD2 4.19Å; E714-Y783 HydrophobicContact CG-CE2 3.63Å; F715-Y783 HydrophobicContact CB-CE2 4.09Å; S718-Y783 PolarHBondContact OG-OH 2.84Å; Y783-Q785 VanDerWaalsContact C-N 3.3Å; Y783-Q785 PolarHBondContact O-N 3.37Å; Y783-L786 WeakPolarHBondContact O-CA 3.16Å; Y783-L786 WeakPolarHBondContact O-CB 3.38Å; Y783-L786 PolarHBondContact O-N 3.46Å; Y783-A787 HydrophobicContact CE1-CB 4.15Å; Y783-A787 PolarHBondContact O-N 3.22Å
784	Q	97.1	Very high	95.5	Very high	129 Å²	129	40.1 Å²	40.1	60%	0.603	19%	0.186	S	C	*	.	H	α-helix	trans	-56.8	-43.1	-176.9	-172.2	64	26.3	0	0	112.4	C782 L786 A787 E788	C782-Q784 PolarHBondContact O-N 2.94Å; Q784-L786 VanDerWaalsContact C-N 3.35Å; Q784-L786 PolarHBondContact O-N 2.84Å; Q784-A787 PolarHBondContact O-N 2.97Å; Q784-E788 VanDerWaalsContact O-CB 3.3Å; Q784-E788 WeakPolarHBondContact O-CB 3.44Å; Q784-E788 PolarHBondContact O-N 3.28Å
785	Q	97.1	Very high	94.9	Very high	44 Å²	44	42.1 Å²	42.1	21%	0.206	20%	0.198	C	C	.	.	H	α-helix	trans	-64.6	-39.1	177.4	-173.5	-176	28.5	0	0	111.8	E762 Y780 C782 Y783 K789	E762-Q785 PolarHBondContact O-NE2 2.94Å; Y780-Q785 HydrophobicContact CD1-CG 3.81Å; Y780-Q785 HydrophobicContact CG-CG 4.23Å; C782-Q785 PolarHBondContact O-N 2.89Å; Y783-Q785 VanDerWaalsContact C-N 3.3Å; Y783-Q785 PolarHBondContact O-N 3.37Å; Q785-K789 HydrophobicContact CG-CG 4.43Å; Q785-K789 WeakPolarHBondContact O-CB 3.3Å; Q785-K789 WeakPolarHBondContact O-CG 3.23Å; Q785-K789 PolarHBondContact O-N 3.03Å
786	L	97.5	Very high	93.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.2	-47.6	175.8	-176.7	151.5	0	0	0	110.8	Q708 W711 F715 L777 Y780 C782 Y783 Q784 K789 M790	Q708-L786 HydrophobicContact CB-CD1 4.24Å; Q708-L786 WeakPolarHBondContact O-CD1 3.39Å; W711-L786 HydrophobicContact CB-CD1 4Å; F715-L786 HydrophobicContact CB-CD2 4.08Å; F715-L786 HydrophobicContact CD1-CD2 4.44Å; F715-L786 HydrophobicContact CG-CD2 4.29Å; L777-L786 HydrophobicContact CD1-CD1 4.12Å; L777-L786 HydrophobicContact CD1-CG 4.49Å; L777-L786 HydrophobicContact CD2-CD1 4.41Å; Y780-L786 HydrophobicContact CD2-CB 3.77Å; Y780-L786 HydrophobicContact CD2-CD1 4.17Å; Y780-L786 HydrophobicContact CD2-CG 3.95Å; Y780-L786 HydrophobicContact CE2-CG 4.44Å; Y780-L786 HydrophobicContact CG-CB 4.39Å; C782-L786 PolarHBondContact O-N 3.3Å; Y783-L786 WeakPolarHBondContact O-CA 3.16Å; Y783-L786 WeakPolarHBondContact O-CB 3.38Å; Y783-L786 PolarHBondContact O-N 3.46Å; Q784-L786 VanDerWaalsContact C-N 3.35Å; Q784-L786 PolarHBondContact O-N 2.84Å; L786-K789 PolarHBondContact O-N 3.31Å; L786-M790 HydrophobicContact CD2-CG 3.99Å; L786-M790 HydrophobicContact CG-CG 4.2Å; L786-M790 WeakPolarHBondContact O-CB 3.18Å; L786-M790 WeakPolarHBondContact O-CG 3.47Å; L786-M790 PolarHBondContact O-N 3.05Å
787	A	96.5	Very high	91.8	Very high	11 Å²	11	48.2 Å²	48.2	9%	0.091	23%	0.229	C	C	.	.	H	α-helix	trans	-61	-49.9	179.9	0	0	0	0	0	111.6	F715 Y783 Q784 K789 M790 T791	F715-A787 HydrophobicContact CD2-CB 3.65Å; F715-A787 HydrophobicContact CE2-CB 3.94Å; Y783-A787 HydrophobicContact CE1-CB 4.15Å; Y783-A787 PolarHBondContact O-N 3.22Å; Q784-A787 PolarHBondContact O-N 2.97Å; A787-K789 PolarHBondContact O-N 2.75Å; A787-M790 PolarHBondContact O-N 3.12Å; A787-T791 WeakPolarHBondContact O-CB 3.47Å; A787-T791 PolarHBondContact O-N 3.45Å; A787-T791 PolarHBondContact O-OG1 3.15Å
788	E	94.7	Very high	89.6	Confident	113 Å²	113	53.5 Å²	53.5	53%	0.528	25%	0.254	S	S	.	.	H	α-helix	trans	-56.1	-52.2	175.5	-176.2	-161.2	133.8	0	0	111.8	Q784 M790 K792	Q784-E788 VanDerWaalsContact O-CB 3.3Å; Q784-E788 WeakPolarHBondContact O-CB 3.44Å; Q784-E788 PolarHBondContact O-N 3.28Å; E788-M790 VanDerWaalsContact C-N 3.34Å; E788-M790 PolarHBondContact O-N 3.29Å; E788-K792 WeakPolarHBondContact O-CB 3.31Å; E788-K792 PolarHBondContact O-N 3.37Å
789	K	95.4	Very high	86.6	Confident	42 Å²	42	56.4 Å²	56.4	18%	0.183	28%	0.284	C	S	.	.	H	α-helix	trans	-67.3	-32.4	-178	-71.6	-80.7	177.1	169.3	0	112.9	N763 L765 P766 Y780 Q785 L786 A787 A793	N763-K789 PolarHBondContact O-NZ 3.08Å; L765-K789 HydrophobicContact CD2-CB 4.5Å; L765-K789 HydrophobicContact CD2-CD 3.72Å; L765-K789 HydrophobicContact CG-CD 4.43Å; P766-K789 WeakPolarHBondContact CD-O 3.26Å; Y780-K789 HydrophobicContact CE1-CB 4.1Å; Y780-K789 HydrophobicContact CE1-CD 4.4Å; Y780-K789 HydrophobicContact CE1-CG 3.82Å; Y780-K789 HydrophobicContact CE2-CB 4.16Å; Y780-K789 WeakPolarHBondContact OH-CB 3.28Å; Q785-K789 HydrophobicContact CG-CG 4.43Å; Q785-K789 WeakPolarHBondContact O-CB 3.3Å; Q785-K789 WeakPolarHBondContact O-CG 3.23Å; Q785-K789 PolarHBondContact O-N 3.03Å; L786-K789 PolarHBondContact O-N 3.31Å; A787-K789 PolarHBondContact O-N 2.75Å; K789-A793 WeakPolarHBondContact O-CB 3.4Å; K789-A793 PolarHBondContact O-N 2.81Å; K789-A793 VanDerWaalsContact O-N 3.1Å
790	M	94.5	Very high	83.5	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-77.9	-42.9	177.7	-71.9	-89.5	24.2	0	0	111.8	F712 F715 M727 F730 P766 L775 L777 L786 A787 E788 K792 A793 I794	F712-M790 HydrophobicContact CD2-SD 4.44Å; F712-M790 HydrophobicContact CE2-SD 4.49Å; F715-M790 HydrophobicContact CD1-CB 4.2Å; F715-M790 HydrophobicContact CE1-CB 3.51Å; F715-M790 HydrophobicContact CE1-CG 4.4Å; F715-M790 HydrophobicContact CZ-CB 3.73Å; M727-M790 HydrophobicContact CE-CE 3.85Å; M727-M790 HydrophobicContact SD-CE 3.67Å; F730-M790 HydrophobicContact CD1-CE 4.35Å; F730-M790 HydrophobicContact CE1-CE 3.99Å; P766-M790 HydrophobicContact CB-CE 4.05Å; P766-M790 HydrophobicContact CB-SD 3.96Å; P766-M790 HydrophobicContact CG-CE 3.56Å; P766-M790 HydrophobicContact CG-CG 4.22Å; P766-M790 HydrophobicContact CG-SD 3.79Å; L775-M790 HydrophobicContact CD1-CE 4.13Å; L775-M790 HydrophobicContact CD1-SD 4.33Å; L775-M790 HydrophobicContact CD2-SD 4.25Å; L777-M790 HydrophobicContact CD1-SD 4.12Å; L786-M790 HydrophobicContact CD2-CG 3.99Å; L786-M790 HydrophobicContact CG-CG 4.2Å; L786-M790 WeakPolarHBondContact O-CB 3.18Å; L786-M790 WeakPolarHBondContact O-CG 3.47Å; L786-M790 PolarHBondContact O-N 3.05Å; A787-M790 PolarHBondContact O-N 3.12Å; E788-M790 VanDerWaalsContact C-N 3.34Å; E788-M790 PolarHBondContact O-N 3.29Å; M790-K792 VanDerWaalsContact C-N 3.35Å; M790-K792 PolarHBondContact O-N 3Å; M790-A793 HydrophobicContact CE-CB 4.42Å; M790-A793 PolarHBondContact O-N 2.9Å; M790-I794 HydrophobicContact CE-CG2 4.44Å; M790-I794 WeakPolarHBondContact O-CG1 3.38Å; M790-I794 PolarHBondContact O-N 3.23Å
791	T	93.3	Very high	80.3	Confident	36 Å²	36	63.7 Å²	63.7	22%	0.221	33%	0.333	C	S	.	.	H	α-helix	trans	-56.7	-49.4	171.4	-62.8	0	0	0	0	110.4	A787 A793 I794 E795	A787-T791 WeakPolarHBondContact O-CB 3.47Å; A787-T791 PolarHBondContact O-N 3.45Å; A787-T791 PolarHBondContact O-OG1 3.15Å; T791-A793 VanDerWaalsContact C-N 3.31Å; T791-A793 PolarHBondContact O-N 3.46Å; T791-I794 WeakPolarHBondContact O-CG1 3.45Å; T791-I794 PolarHBondContact O-N 2.92Å; T791-E795 VanDerWaalsContact CG2-CD 3.5Å; T791-E795 HydrophobicContact CG2-CG 4.33Å; T791-E795 WeakPolarHBondContact CG2-OE2 3.24Å; T791-E795 WeakPolarHBondContact O-CB 3.42Å; T791-E795 WeakPolarHBondContact O-CG 3.31Å; T791-E795 PolarHBondContact O-N 2.84Å
792	K	91.2	Very high	76.9	Confident	76 Å²	76	62.4 Å²	62.4	33%	0.33	34%	0.34	S	S	.	.	H	α-helix	trans	-56.2	-43.2	175.2	-175.4	166.9	177.7	90.8	0	112.4	L765 E788 M790 E796	L765-K792 HydrophobicContact CD2-CB 4.29Å; L765-K792 HydrophobicContact CD2-CD 4.15Å; L765-K792 HydrophobicContact CD2-CG 4.13Å; E788-K792 WeakPolarHBondContact O-CB 3.31Å; E788-K792 PolarHBondContact O-N 3.37Å; M790-K792 VanDerWaalsContact C-N 3.35Å; M790-K792 PolarHBondContact O-N 3Å; K792-E796 WeakPolarHBondContact CE-OE2 3.29Å; K792-E796 HydrophobicContact CG-CG 4.24Å; K792-E796 WeakPolarHBondContact CG-OE1 3.35Å; K792-E796 IonicContact NZ-OE1 2.91Å; K792-E796 PolarHBondContact NZ-OE1 2.96Å; K792-E796 IonicContact NZ-OE2 2.85Å; K792-E796 PolarHBondContact NZ-OE2 2.9Å; K792-E796 WeakPolarHBondContact O-CB 3.41Å; K792-E796 PolarHBondContact O-N 3.29Å
793	A	90	Very high	73.6	Confident	4 Å²	4	69 Å²	69	3%	0.033	37%	0.365	C	S	.	.	H	α-helix	trans	-69.3	-32.2	-179.5	0	0	0	0	0	114.5	F730 P766 K789 M790 T791 T797	F730-A793 HydrophobicContact CE1-CB 4.39Å; F730-A793 HydrophobicContact CE2-CB 4.48Å; F730-A793 HydrophobicContact CZ-CB 4.04Å; P766-A793 HydrophobicContact CG-CB 3.54Å; K789-A793 WeakPolarHBondContact O-CB 3.4Å; K789-A793 PolarHBondContact O-N 2.81Å; K789-A793 VanDerWaalsContact O-N 3.1Å; M790-A793 HydrophobicContact CE-CB 4.42Å; M790-A793 PolarHBondContact O-N 2.9Å; T791-A793 VanDerWaalsContact C-N 3.31Å; T791-A793 PolarHBondContact O-N 3.46Å; A793-T797 WeakPolarHBondContact O-CB 3.48Å; A793-T797 PolarHBondContact O-OG1 3.49Å
794	I	89.3	Confident	72.4	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.005	37%	0.371	C	S	.	.	H	α-helix	trans	-87.1	-22.9	178.6	68.8	-178.9	0	0	0	113.4	L719 M727 F730 M790 T791	L719-I794 HydrophobicContact CD1-CD1 4.35Å; M727-I794 HydrophobicContact CB-CD1 4.48Å; M727-I794 HydrophobicContact CB-CG2 4.29Å; M727-I794 HydrophobicContact SD-CG2 3.64Å; F730-I794 HydrophobicContact CB-CG2 4.03Å; F730-I794 HydrophobicContact CD1-CG2 4.03Å; F730-I794 HydrophobicContact CG-CG2 4.08Å; M790-I794 HydrophobicContact CE-CG2 4.44Å; M790-I794 WeakPolarHBondContact O-CG1 3.38Å; M790-I794 PolarHBondContact O-N 3.23Å; T791-I794 WeakPolarHBondContact O-CG1 3.45Å; T791-I794 PolarHBondContact O-N 2.92Å
795	E	82.8	Confident	71.1	Confident	94 Å²	94	66.2 Å²	66.2	44%	0.439	36%	0.359	S	S	.	.	H	α-helix	trans	-94.4	-34.5	179.4	-66.5	179	178.7	0	0	113.1	K723 T791	K723-E795 IonicContact NZ-OE1 2.7Å; K723-E795 PolarHBondContact NZ-OE1 3.3Å; T791-E795 VanDerWaalsContact CG2-CD 3.5Å; T791-E795 HydrophobicContact CG2-CG 4.33Å; T791-E795 WeakPolarHBondContact CG2-OE2 3.24Å; T791-E795 WeakPolarHBondContact O-CB 3.42Å; T791-E795 WeakPolarHBondContact O-CG 3.31Å; T791-E795 PolarHBondContact O-N 2.84Å
796	E	70	Confident	69.6	Low	93 Å²	93	67.4 Å²	67.4	44%	0.435	37%	0.368	S	S	.	.	S	Bend	trans	-102.5	17.7	-176.8	-60.1	-177.4	-156.8	0	0	114.7	K792 E798 F800	K792-E796 WeakPolarHBondContact CE-OE2 3.29Å; K792-E796 HydrophobicContact CG-CG 4.24Å; K792-E796 WeakPolarHBondContact CG-OE1 3.35Å; K792-E796 IonicContact NZ-OE1 2.91Å; K792-E796 PolarHBondContact NZ-OE1 2.96Å; K792-E796 IonicContact NZ-OE2 2.85Å; K792-E796 PolarHBondContact NZ-OE2 2.9Å; K792-E796 WeakPolarHBondContact O-CB 3.41Å; K792-E796 PolarHBondContact O-N 3.29Å; E796-E798 PolarHBondContact O-N 3.12Å; E796-F800 HydrophobicContact CB-CE2 4.03Å; E796-F800 HydrophobicContact CB-CZ 4.01Å; E796-F800 WeakPolarHBondContact O-CE2 3.05Å
797	T	57.9	Low	68	Low	40 Å²	40	71.4 Å²	71.4	25%	0.245	39%	0.389	C	S	.	.			trans	-70	9.4	-166.8	-12.9	0	0	0	0	116.9	R676 F730 A793 G799	R676-T797 PolarHBondContact NH1-OG1 2.63Å; R676-T797 PolarHBondContact NH2-OG1 3.41Å; R676-T797 VanDerWaalsContact NH2-OG1 3.16Å; F730-T797 HydrophobicContact CD2-CG2 3.8Å; F730-T797 HydrophobicContact CE2-CG2 3.64Å; A793-T797 WeakPolarHBondContact O-CB 3.48Å; A793-T797 PolarHBondContact O-OG1 3.49Å; T797-G799 PolarHBondContact O-N 3.43Å
798	E	50.5	Low	66.2	Low	111 Å²	111	75.2 Å²	75.2	52%	0.519	41%	0.408	S	S	.	.	S	Bend	trans	-76.8	87.6	173.1	-68.5	-156.9	-142.6	0	0	111.8	K570 D674 E796	K570-E798 WeakPolarHBondContact CE-OE2 3.17Å; K570-E798 IonicContact NZ-OE1 2.66Å; K570-E798 PolarHBondContact NZ-OE1 3.46Å; K570-E798 IonicContact NZ-OE2 2.69Å; K570-E798 PolarHBondContact NZ-OE2 3Å; D674-E798 VanDerWaalsContact CB-OE1 3.27Å; D674-E798 WeakPolarHBondContact CB-OE1 3.38Å; E796-E798 PolarHBondContact O-N 3.12Å
799	G	35.2	Very low	64.3	Low	63 Å²	63	72.7 Å²	72.7	65%	0.649	40%	0.4	S	S	*	.			trans	82.6	50.9	158.1	0	0	0	0	0	116.7	T797 G801	T797-G799 PolarHBondContact O-N 3.43Å; G799-G801 PolarHBondContact O-N 3.27Å
800	F	31.8	Very low	62.1	Low	109 Å²	109	74.9 Å²	74.9	48%	0.478	42%	0.415	S	S	.	.			trans	-67.8	74.9	163.5	-75.3	-73.3	0	0	0	111.8	L765 E796	L765-F800 HydrophobicContact CD1-CD1 4.37Å; L765-F800 HydrophobicContact CD1-CE1 3.96Å; L765-F800 HydrophobicContact CD1-CE2 4.28Å; L765-F800 HydrophobicContact CD1-CZ 3.92Å; E796-F800 HydrophobicContact CB-CE2 4.03Å; E796-F800 HydrophobicContact CB-CZ 4.01Å; E796-F800 WeakPolarHBondContact O-CE2 3.05Å
801	G	29.4	Very low	59.6	Low	69 Å²	69	80.6 Å²	80.6	71%	0.711	45%	0.447	S	S	*	.			trans	-89.9	3.8	173.2	0	0	0	0	0	114.7	G799	G799-G801 PolarHBondContact O-N 3.27Å
802	N	24.9	Very low	56.8	Low	156 Å²	156	84.3 Å²	84.3	83%	0.834	47%	0.466	S	S	*	.			trans	-122	92.7	-179.3	-66.3	-15.8	0	0	0	110.3
803	E	28.3	Very low	53.7	Low	196 Å²	196	85.1 Å²	85.1	92%	0.916	48%	0.479	S	S	*	.			trans	-105	0	153.9	-79.8	-158.6	116	0	0	109.8	R767	R767-E803 IonicContact NH1-OE2 3.65Å; R767-E803 PolarHBondContact NH1-OE2 2.68Å

Retrieved 803 of 803 residues in 2884 ms (Link to these results)

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