A0A077ZIV9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZIV9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,162 aa.

						>A0A077ZIV9_TRITR|A0A077ZIV9
MQHFKSVKANEGCDREKAAQFVELVKGMDREEQLLQPTFKIHDPSEELQNVKDKLEQILNRGATKTEVYYKVTEEKMAITCTIGKHSTAVVILQLKETNCEKSAEPFTYPKPEELCDAWKYKDTTAYRLPVPEKYVPWKVEMDAYAPPECTWYERFGTRCTKLSVEDVQAANQSPPEDLRHKDGRTGMRGRGVNRKLGGNAHHHLLVLRKTEQGDKQVLIRRIAAETGRFILPLFAAADIPFWHALGIRAAGDMAAKVMECARTAMKDVFKASTKLYGGNIWAPRNTDNAWMDLYSHVISDEKYLENIKHGADSDFTWLSINKTTEDYLKDILEKMFPAETAQKLMQPTGSIKEKLLVLQKLNVVRQTIDLTNCAASFYPFVPMGLPVNDFLGIVTENECDKEKAAQFVELVKGMNEAEQMVEPTPTIHDPSNDLQDVQDKLEQILNRGIPKSSVYYKVTENKMAVTCNIGKHSTAVVILQLKETNCEKSTEPFTYPKPEELCDAWKYKDTTAYRLPVPEKYVPWKVEMDAYAPPECTWYERFGTRCTKLSVEDVQAANQSPPEDLRHKDGRTGMRGRGVNRKLGGNAHHHLLVLRKTEQGDKQVLIRRIAAETGRFILPLFAAADIPFWHALGIRAAGDMAAKVMECARTAMKDVFKASTKLYGGNIWAPRNTDNAWMDLYSHVISDEKYLENIKHGADSDFTWLSINKTTEDYLKDILEKMFPAETAQKLMQPTGSIKEKLLVLQKLNVVRQTIDLTNCAASFYPFVPMGLPVNDFLGIVTENECDKEKAAQFVELVKGMNEAEQMVEPTPTIHDPSNDLQDVQDKLEQILNRGIPKSSVYYKVTENKMAVTCNIGKHSTAVVILQLKETNCEKSTTEIGTTSGYVFKEAFTYPKPEELCTSWRYKHTTTYRFPVPEKYRRWSVEIDAYGPPECSWSPHYGGYCTKLSMEDVQALNQSIPQEFRHRDGRTGMRGRGVNQKLGSNIYSHLLILKKTAQGDKQVLMRRIAVKKGKFVMPLFPSADMPFWHALGKPLMDDMATEMTACAQKTMKSVFKVTKKLYGGPMWDARNTDNAWMDLYSHVISDDKYLQNIKHGADSEFTWLSINKTTEEYLKDILVKLFPDETEELIKPTGSIKEKLLVLEDLDIVRQTIKLANCAAL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32	Very low	35.7	Very low	158 Å²	158	146.1 Å²	146.1	78%	0.778	74%	0.737	S	S	*	*				0	-48.6	0	-88.3	-178.1	125.6	0	0	114.9	H3 F4 K5	M1-H3 VanDerWaalsContact C-N 3.26Å; M1-H3 PolarHBondContact O-N 2.63Å; M1-F4 PolarHBondContact O-N 3.21Å; M1-K5 PolarHBondContact O-N 3.3Å
2	Q	32	Very low	36.6	Very low	180 Å²	180	137.7 Å²	137.7	84%	0.841	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-30.5	178.8	-83.9	177.7	-20.2	0	0	113.6
3	H	36.3	Very low	37.2	Very low	163 Å²	163	131 Å²	131	76%	0.755	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-39.5	177.9	-131.3	42.4	0	0	0	113.3	M1 K5 S6	M1-H3 VanDerWaalsContact C-N 3.26Å; M1-H3 PolarHBondContact O-N 2.63Å; H3-K5 PolarHBondContact O-N 3.19Å; H3-S6 PolarHBondContact O-N 2.87Å; H3-S6 PolarHBondContact O-OG 2.96Å
4	F	36.5	Very low	38.6	Very low	115 Å²	115	127.1 Å²	127.1	50%	0.504	67%	0.666	S	S	.	*	G	3₁₀ helix	trans	-72.7	-25.6	178.3	-90	-87.5	0	0	0	113.8	M1 S6 F21	M1-F4 PolarHBondContact O-N 3.21Å; F4-S6 PolarHBondContact O-N 3.44Å; F4-F21 HydrophobicContact CE2-CE1 4.4Å; F4-F21 HydrophobicContact CZ-CE1 4.24Å
5	K	35.6	Very low	39.5	Very low	183 Å²	183	133.1 Å²	133.1	80%	0.796	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-72.5	-12.9	175.4	-74.7	-174.9	175.1	-177.3	0	113.6	M1 H3	M1-K5 PolarHBondContact O-N 3.3Å; H3-K5 PolarHBondContact O-N 3.19Å
6	S	36.8	Very low	40.6	Very low	86 Å²	86	133.4 Å²	133.4	60%	0.601	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-95.1	-9.9	-178.4	71.8	0	0	0	0	114.4	H3 F4 K8	H3-S6 PolarHBondContact O-N 2.87Å; H3-S6 PolarHBondContact O-OG 2.96Å; F4-S6 PolarHBondContact O-N 3.44Å; S6-K8 VanDerWaalsContact C-N 3.29Å; S6-K8 PolarHBondContact O-N 3.11Å
7	V	36.5	Very low	41.3	Very low	99 Å²	99	131.4 Å²	131.4	60%	0.6	66%	0.66	S	S	*	*			trans	-84.7	73.5	-178.9	-170.1	0	0	0	0	109.7	A9	V7-A9 PolarHBondContact O-N 2.91Å
8	K	34.6	Very low	41.8	Very low	198 Å²	198	126 Å²	126	86%	0.861	64%	0.639	S	S	*	*			trans	-71	115	158.9	-86.3	-174.9	176	-179.6	0	107.9	S6	S6-K8 VanDerWaalsContact C-N 3.29Å; S6-K8 PolarHBondContact O-N 3.11Å
9	A	32.7	Very low	42.7	Very low	78 Å²	78	122.5 Å²	122.5	65%	0.645	63%	0.631	S	S	*	*			trans	46.9	97.5	152.8	0	0	0	0	0	116.9	V7	V7-A9 PolarHBondContact O-N 2.91Å
10	N	34	Very low	43.4	Very low	155 Å²	155	121.3 Å²	121.3	83%	0.829	62%	0.623	S	S	*	*			trans	-154.2	144.6	144.1	-92.5	-27.2	0	0	0	109.9
11	E	45.6	Very low	43.7	Very low	192 Å²	192	117 Å²	117	90%	0.897	60%	0.6	S	S	*	*	S	Bend	trans	-52.8	126.6	-171.5	-61.6	164.8	161.4	0	0	112.3
12	G	47.2	Very low	44.7	Very low	45 Å²	45	112.8 Å²	112.8	46%	0.464	58%	0.583	S	S	.	*			trans	146.1	-5.7	169.4	0	0	0	0	0	119.1	T82	G12-T82 PolarHBondContact O-N 3.32Å
13	C	43.7	Very low	45.8	Very low	51 Å²	51	109.8 Å²	109.8	35%	0.345	57%	0.568	S	S	.	*	S	Bend	trans	-114.7	137.1	171.8	-58.2	0	0	0	0	111.1	R15 C81	C13-R15 PolarHBondContact O-N 3.41Å; C13-R15 VanDerWaalsContact O-N 3.08Å; C13-C81 HydrophobicContact CB-CB 4.37Å; C13-C81 WeakPolarHBondContact CB-SG 3.31Å; C13-C81 WeakPolarHBondContact SG-CA 3.33Å; C13-C81 WeakPolarHBondContact SG-CB 3.5Å; C13-C81 CovalentContact SG-SG 2.03Å; C13-C81 PolarHBondContact SG-SG 3.07Å
14	D	56.2	Low	46.6	Very low	76 Å²	76	105 Å²	105	41%	0.406	55%	0.548	S	S	.	.			trans	-59.8	109	168.4	-177.1	-19.7	0	0	0	109.7	E16 K17 A18	D14-E16 PolarHBondContact O-N 3.26Å; D14-E16 WeakPolarHBondContact OD1-CB 3.39Å; D14-E16 PolarHBondContact OD1-N 2.98Å; D14-K17 HydrophobicContact CB-CB 4.21Å; D14-K17 HydrophobicContact CB-CD 4.27Å; D14-K17 HydrophobicContact CB-CG 4.32Å; D14-K17 PolarHBondContact O-N 3.28Å; D14-K17 PolarHBondContact OD1-N 3.39Å; D14-K17 WeakPolarHBondContact OD2-CD 3.41Å; D14-K17 WeakPolarHBondContact OD2-CE 3.24Å; D14-K17 WeakPolarHBondContact OD2-CG 3.3Å; D14-A18 WeakPolarHBondContact O-CB 3.35Å; D14-A18 PolarHBondContact O-N 3.19Å
15	R	53	Low	47.2	Very low	217 Å²	217	101.3 Å²	101.3	82%	0.819	54%	0.535	S	S	*	.	H	α-helix	trans	-60.4	-31.5	-176.9	-89.8	-175.7	172.6	170.5	-0.2	112.6	C13 A19	C13-R15 PolarHBondContact O-N 3.41Å; C13-R15 VanDerWaalsContact O-N 3.08Å; R15-A19 WeakPolarHBondContact O-CB 3.23Å; R15-A19 PolarHBondContact O-N 3.39Å
16	E	57.4	Low	47.9	Very low	138 Å²	138	99 Å²	99	65%	0.645	53%	0.525	S	S	*	.	H	α-helix	trans	-74.5	-45.6	-176.8	-163.4	172.3	-173.1	0	0	110.2	D14 A18 A19 Q20	D14-E16 PolarHBondContact O-N 3.26Å; D14-E16 WeakPolarHBondContact OD1-CB 3.39Å; D14-E16 PolarHBondContact OD1-N 2.98Å; E16-A18 PolarHBondContact O-N 3.44Å; E16-A19 PolarHBondContact O-N 3.03Å; E16-Q20 WeakPolarHBondContact O-CG 3.37Å; E16-Q20 PolarHBondContact O-N 3.47Å
17	K	52.7	Low	48.6	Very low	99 Å²	99	98.2 Å²	98.2	43%	0.43	53%	0.53	S	S	.	.	H	α-helix	trans	-65.2	-39.1	174.3	-67.6	-177.4	-176.2	-179.3	0	112.5	D14 A19 Q20 F21 I79	D14-K17 HydrophobicContact CB-CB 4.21Å; D14-K17 HydrophobicContact CB-CD 4.27Å; D14-K17 HydrophobicContact CB-CG 4.32Å; D14-K17 PolarHBondContact O-N 3.28Å; D14-K17 PolarHBondContact OD1-N 3.39Å; D14-K17 WeakPolarHBondContact OD2-CD 3.41Å; D14-K17 WeakPolarHBondContact OD2-CE 3.24Å; D14-K17 WeakPolarHBondContact OD2-CG 3.3Å; K17-A19 VanDerWaalsContact C-N 3.32Å; K17-A19 PolarHBondContact O-N 3.3Å; K17-Q20 PolarHBondContact O-N 3.24Å; K17-F21 WeakPolarHBondContact O-CB 3.47Å; K17-F21 PolarHBondContact O-N 2.73Å; K17-I79 HydrophobicContact CB-CD1 4.19Å; K17-I79 HydrophobicContact CB-CG1 4.24Å; K17-I79 VanDerWaalsContact O-CD1 3.24Å; K17-I79 WeakPolarHBondContact O-CD1 3.48Å
18	A	50.3	Low	49.1	Very low	35 Å²	35	97 Å²	97	29%	0.289	52%	0.519	S	S	.	.	H	α-helix	trans	-63.9	-36.9	174.7	0	0	0	0	0	112.3	D14 E16 V22	D14-A18 WeakPolarHBondContact O-CB 3.35Å; D14-A18 PolarHBondContact O-N 3.19Å; E16-A18 PolarHBondContact O-N 3.44Å; A18-V22 WeakPolarHBondContact O-CG2 3.48Å; A18-V22 PolarHBondContact O-N 3.03Å; A18-V22 VanDerWaalsContact O-N 3.16Å
19	A	57.3	Low	49.3	Very low	59 Å²	59	94.1 Å²	94.1	49%	0.488	51%	0.513	S	S	.	.	H	α-helix	trans	-68.9	-41.4	174	0	0	0	0	0	112.1	R15 E16 K17 F21 V22 E23	R15-A19 WeakPolarHBondContact O-CB 3.23Å; R15-A19 PolarHBondContact O-N 3.39Å; E16-A19 PolarHBondContact O-N 3.03Å; K17-A19 VanDerWaalsContact C-N 3.32Å; K17-A19 PolarHBondContact O-N 3.3Å; A19-F21 VanDerWaalsContact C-N 3.33Å; A19-F21 PolarHBondContact O-N 3.05Å; A19-V22 PolarHBondContact O-N 2.92Å; A19-E23 PolarHBondContact O-N 3.25Å
20	Q	56.7	Low	49.9	Very low	98 Å²	98	102.3 Å²	102.3	46%	0.458	53%	0.527	S	S	.	.	H	α-helix	trans	-61.9	-38.7	174.6	-70.5	172.5	1	0	0	112.2	E16 K17 E23 L24 M77	E16-Q20 WeakPolarHBondContact O-CG 3.37Å; E16-Q20 PolarHBondContact O-N 3.47Å; K17-Q20 PolarHBondContact O-N 3.24Å; Q20-E23 PolarHBondContact O-N 3.49Å; Q20-L24 WeakPolarHBondContact O-CB 3.3Å; Q20-L24 PolarHBondContact O-N 3.22Å; Q20-M77 HydrophobicContact CB-CE 3.71Å
21	F	50.1	Low	50	Low	32 Å²	32	104 Å²	104	14%	0.14	53%	0.53	C	S	.	.	H	α-helix	trans	-62.7	-42.4	173.5	177.9	-93.4	0	0	0	112.8	F4 K17 A19 E23 L24 V25 M77 I79 V90 I92	F4-F21 HydrophobicContact CE2-CE1 4.4Å; F4-F21 HydrophobicContact CZ-CE1 4.24Å; K17-F21 WeakPolarHBondContact O-CB 3.47Å; K17-F21 PolarHBondContact O-N 2.73Å; A19-F21 VanDerWaalsContact C-N 3.33Å; A19-F21 PolarHBondContact O-N 3.05Å; F21-E23 VanDerWaalsContact C-N 3.34Å; F21-L24 PolarHBondContact O-N 2.7Å; F21-V25 HydrophobicContact CD1-CG2 4.35Å; F21-V25 HydrophobicContact CE1-CG2 4.06Å; F21-V25 HydrophobicContact CE2-CG2 4.34Å; F21-V25 HydrophobicContact CZ-CG2 4.04Å; F21-V25 WeakPolarHBondContact O-CB 3.36Å; F21-V25 VanDerWaalsContact O-CG2 3.24Å; F21-V25 WeakPolarHBondContact O-CG2 3.06Å; F21-V25 PolarHBondContact O-N 2.81Å; F21-M77 HydrophobicContact CB-SD 3.92Å; F21-M77 HydrophobicContact CD2-SD 4.29Å; F21-I79 HydrophobicContact CB-CD1 3.42Å; F21-I79 VanDerWaalsContact CB-CD1 3.42Å; F21-I79 HydrophobicContact CD2-CD1 4.01Å; F21-I79 HydrophobicContact CG-CD1 3.91Å; F21-V90 HydrophobicContact CD2-CG1 4.44Å; F21-V90 HydrophobicContact CE2-CG1 3.53Å; F21-V90 HydrophobicContact CZ-CG1 3.86Å; F21-I92 HydrophobicContact CD2-CD1 3.65Å; F21-I92 HydrophobicContact CD2-CG1 4.35Å; F21-I92 HydrophobicContact CE2-CD1 3.65Å; F21-I92 HydrophobicContact CE2-CG1 4.06Å
22	V	52.8	Low	49.7	Very low	70 Å²	70	100.6 Å²	100.6	42%	0.424	51%	0.514	S	S	.	.	H	α-helix	trans	-66.2	-37.4	178	170.2	0	0	0	0	111.5	A18 A19 K26	A18-V22 WeakPolarHBondContact O-CG2 3.48Å; A18-V22 PolarHBondContact O-N 3.03Å; A18-V22 VanDerWaalsContact O-N 3.16Å; A19-V22 PolarHBondContact O-N 2.92Å; V22-K26 VanDerWaalsContact O-CG 3.28Å; V22-K26 WeakPolarHBondContact O-CG 3.29Å; V22-K26 PolarHBondContact O-N 3.18Å
23	E	56.4	Low	49.1	Very low	116 Å²	116	107.3 Å²	107.3	54%	0.542	53%	0.533	S	S	.	.	H	α-helix	trans	-67.8	-44.5	172.8	-88.6	-60.8	123.1	0	0	112.4	A19 Q20 F21 V25 K26 G27	A19-E23 PolarHBondContact O-N 3.25Å; Q20-E23 PolarHBondContact O-N 3.49Å; F21-E23 VanDerWaalsContact C-N 3.34Å; E23-V25 VanDerWaalsContact C-N 3.3Å; E23-V25 PolarHBondContact O-N 3.42Å; E23-K26 PolarHBondContact O-N 2.02Å; E23-K26 VanDerWaalsContact O-N 3.14Å; E23-K26 WeakPolarHBondContact OE1-CD 3.34Å; E23-K26 IonicContact OE1-NZ 2.82Å; E23-K26 PolarHBondContact OE1-NZ 3Å; E23-G27 PolarHBondContact O-N 2.87Å
24	L	51.6	Low	48.8	Very low	62 Å²	62	111.3 Å²	111.3	33%	0.325	55%	0.551	S	S	.	*	H	α-helix	trans	-58.9	-42.2	178.2	-162	88.8	0	0	0	111.8	Q20 F21 G27 M28 I92	Q20-L24 WeakPolarHBondContact O-CB 3.3Å; Q20-L24 PolarHBondContact O-N 3.22Å; F21-L24 PolarHBondContact O-N 2.7Å; L24-G27 PolarHBondContact O-N 2.9Å; L24-M28 WeakPolarHBondContact O-CG 3.07Å; L24-I92 HydrophobicContact CD2-CD1 3.34Å; L24-I92 HydrophobicContact CD2-CG2 4.26Å
25	V	49.5	Very low	47.8	Very low	38 Å²	38	113.3 Å²	113.3	23%	0.23	56%	0.561	C	S	.	*	H	α-helix	trans	-72	-26.1	179.1	172.9	0	0	0	0	112.8	F21 E23 G27	F21-V25 HydrophobicContact CD1-CG2 4.35Å; F21-V25 HydrophobicContact CE1-CG2 4.06Å; F21-V25 HydrophobicContact CE2-CG2 4.34Å; F21-V25 HydrophobicContact CZ-CG2 4.04Å; F21-V25 WeakPolarHBondContact O-CB 3.36Å; F21-V25 VanDerWaalsContact O-CG2 3.24Å; F21-V25 WeakPolarHBondContact O-CG2 3.06Å; F21-V25 PolarHBondContact O-N 2.81Å; E23-V25 VanDerWaalsContact C-N 3.3Å; E23-V25 PolarHBondContact O-N 3.42Å; V25-G27 VanDerWaalsContact C-N 3.32Å
26	K	50.4	Low	47	Very low	136 Å²	136	110.8 Å²	110.8	59%	0.591	56%	0.558	S	S	*	*	H	α-helix	trans	-74.1	-23	175	-77.5	172.5	-172.2	171.5	0	113.2	V22 E23	V22-K26 VanDerWaalsContact O-CG 3.28Å; V22-K26 WeakPolarHBondContact O-CG 3.29Å; V22-K26 PolarHBondContact O-N 3.18Å; E23-K26 PolarHBondContact O-N 2.02Å; E23-K26 VanDerWaalsContact O-N 3.14Å; E23-K26 WeakPolarHBondContact OE1-CD 3.34Å; E23-K26 IonicContact OE1-NZ 2.82Å; E23-K26 PolarHBondContact OE1-NZ 3Å
27	G	52.2	Low	45.8	Very low	69 Å²	69	107 Å²	107	71%	0.711	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-5.6	179.8	0	0	0	0	0	114.9	E23 L24 V25	E23-G27 PolarHBondContact O-N 2.87Å; L24-G27 PolarHBondContact O-N 2.9Å; V25-G27 VanDerWaalsContact C-N 3.32Å
28	M	46.9	Very low	45	Very low	72 Å²	72	109.1 Å²	109.1	36%	0.355	57%	0.567	S	S	.	*	S	Bend	trans	-82	121.7	-179.8	-69.5	168.8	75.3	0	0	110.4	L24 E32	L24-M28 WeakPolarHBondContact O-CG 3.07Å; M28-E32 HydrophobicContact CE-CB 4.35Å; M28-E32 WeakPolarHBondContact CE-OE2 3.38Å; M28-E32 WeakPolarHBondContact CG-OE2 3.26Å
29	D	39.4	Very low	44.5	Very low	138 Å²	138	111.2 Å²	111.2	74%	0.738	57%	0.57	S	S	*	*			trans	-72.5	157.9	-177.6	-147.4	-15.7	0	0	0	111.8	E31 E32	D29-E31 PolarHBondContact O-N 3.45Å; D29-E32 PolarHBondContact O-N 3.42Å
30	R	43.6	Very low	43.8	Very low	251 Å²	251	116.9 Å²	116.9	95%	0.947	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-2.6	-164.3	-100.9	179.8	174.8	-179.7	-0.9	117.2
31	E	37.6	Very low	43	Very low	189 Å²	189	113.9 Å²	113.9	88%	0.883	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-6.2	-176.5	-67.7	-166.4	157.3	0	0	114.9	D29 Q33	D29-E31 PolarHBondContact O-N 3.45Å; E31-Q33 PolarHBondContact O-N 3.4Å
32	E	38.9	Very low	42.6	Very low	121 Å²	121	120.8 Å²	120.8	57%	0.565	60%	0.603	S	S	*	*			trans	-86.9	104.4	-178	-66.8	-176.8	154	0	0	112.2	M28 D29 L34	M28-E32 HydrophobicContact CE-CB 4.35Å; M28-E32 WeakPolarHBondContact CE-OE2 3.38Å; M28-E32 WeakPolarHBondContact CG-OE2 3.26Å; D29-E32 PolarHBondContact O-N 3.42Å; E32-L34 PolarHBondContact O-N 2.9Å
33	Q	35	Very low	42.2	Very low	186 Å²	186	120.9 Å²	120.9	87%	0.869	60%	0.601	S	S	*	*			trans	-68.7	108.2	175.5	-72.6	-174.9	9.9	0	0	111.7	E31 L35	E31-Q33 PolarHBondContact O-N 3.4Å; Q33-L35 PolarHBondContact O-N 3.46Å
34	L	35.8	Very low	41.6	Very low	135 Å²	135	119 Å²	119	71%	0.707	60%	0.599	S	S	*	*			trans	-75.6	101.6	169.3	-89.8	152.2	0	0	0	111.1	E32	E32-L34 PolarHBondContact O-N 2.9Å
35	L	36.1	Very low	41.2	Very low	119 Å²	119	120.7 Å²	120.7	62%	0.623	62%	0.615	S	S	*	*			trans	-79.7	121.6	161.2	-81.3	159.3	0	0	0	108.9	Q33 P37 L59	Q33-L35 PolarHBondContact O-N 3.46Å; L35-P37 VanDerWaalsContact C-CD 3.49Å; L35-P37 WeakPolarHBondContact O-CD 3.29Å; L35-L59 HydrophobicContact CD1-CD2 4.33Å
36	Q	35.4	Very low	41.1	Very low	163 Å²	163	126.6 Å²	126.6	76%	0.762	64%	0.641	S	S	*	*			trans	-98.7	91.5	172.3	-72.9	-161	-19.9	0	0	110.7	T38	Q36-T38 PolarHBondContact O-N 3.42Å
37	P	33.5	Very low	41.4	Very low	59 Å²	59	123.3 Å²	123.3	38%	0.383	63%	0.627	S	S	.	*			trans	-78.3	118.8	165.1	32.8	-32.3	0	0	0	108.7	L35 F39 L55	L35-P37 VanDerWaalsContact C-CD 3.49Å; L35-P37 WeakPolarHBondContact O-CD 3.29Å; P37-F39 HydrophobicContact CB-CD2 4.04Å; P37-F39 HydrophobicContact CB-CE1 4.42Å; P37-F39 HydrophobicContact CB-CE2 3.36Å; P37-F39 HydrophobicContact CB-CZ 3.58Å; P37-F39 HydrophobicContact CG-CD2 4.19Å; P37-F39 HydrophobicContact CG-CE2 3.47Å; P37-F39 VanDerWaalsContact CG-CE2 3.47Å; P37-F39 HydrophobicContact CG-CZ 4.1Å; P37-F39 PolarHBondContact O-N 3.1Å; P37-L55 HydrophobicContact CG-CD1 4.05Å
38	T	35.8	Very low	41.5	Very low	143 Å²	143	122.2 Å²	122.2	88%	0.877	61%	0.605	S	S	*	*			trans	-84.5	105.4	172.6	-12.4	0	0	0	0	108.3	Q36	Q36-T38 PolarHBondContact O-N 3.42Å
39	F	40.3	Very low	42.2	Very low	79 Å²	79	124 Å²	124	35%	0.346	61%	0.613	S	S	.	*			trans	-104.2	135.1	171.5	-57.8	-73	0	0	0	109.6	P37 I41 V51 K54	P37-F39 HydrophobicContact CB-CD2 4.04Å; P37-F39 HydrophobicContact CB-CE1 4.42Å; P37-F39 HydrophobicContact CB-CE2 3.36Å; P37-F39 HydrophobicContact CB-CZ 3.58Å; P37-F39 HydrophobicContact CG-CD2 4.19Å; P37-F39 HydrophobicContact CG-CE2 3.47Å; P37-F39 VanDerWaalsContact CG-CE2 3.47Å; P37-F39 HydrophobicContact CG-CZ 4.1Å; P37-F39 PolarHBondContact O-N 3.1Å; F39-I41 HydrophobicContact CB-CG1 4.29Å; F39-V51 HydrophobicContact CD2-CG1 4.42Å; F39-V51 HydrophobicContact CD2-CG2 4.32Å; F39-V51 HydrophobicContact CE2-CG1 4.1Å; F39-K54 HydrophobicContact CE1-CD 4.49Å
40	K	41.7	Very low	43.1	Very low	178 Å²	178	121.4 Å²	121.4	77%	0.774	60%	0.599	S	S	*	*			trans	-83.4	117.9	164.1	-85.9	-176.9	175.3	178.6	0	107.4
41	I	39.8	Very low	43.8	Very low	35 Å²	35	110.6 Å²	110.6	18%	0.179	56%	0.56	C	S	.	*			trans	-107.6	122.7	-176.6	-63.4	165	0	0	0	108.3	F39 E47 A89	F39-I41 HydrophobicContact CB-CG1 4.29Å; I41-E47 VanDerWaalsContact CA-OE2 3.27Å; I41-E47 WeakPolarHBondContact CA-OE2 3.26Å; I41-E47 WeakPolarHBondContact CG2-OE2 3.09Å; I41-A89 HydrophobicContact CD1-CB 3.74Å
42	H	42.8	Very low	45	Very low	178 Å²	178	103.5 Å²	103.5	82%	0.824	53%	0.527	S	S	*	.	S	Bend	trans	-97.6	-25.2	177.9	-79.5	-61.3	0	0	0	112.5	E47	H42-E47 PolarHBondContact N-OE2 2.63Å
43	D	44	Very low	46.2	Very low	72 Å²	72	101.4 Å²	101.4	39%	0.385	52%	0.519	S	S	.	.			trans	-140.4	117.3	173.1	-166.2	-40.3	0	0	0	110.3	S45	D43-S45 VanDerWaalsContact C-N 3.28Å; D43-S45 PolarHBondContact O-N 2.81Å; D43-S45 PolarHBondContact OD1-N 2.84Å; D43-S45 PolarHBondContact OD1-OG 3.43Å; D43-S45 VanDerWaalsContact OD1-OG 3.06Å
44	P	43.7	Very low	47.4	Very low	77 Å²	77	97 Å²	97	50%	0.5	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-18.1	-172.9	-18.3	30.3	0	0	0	115.8
45	S	43.6	Very low	48.5	Very low	96 Å²	96	92.1 Å²	92.1	67%	0.671	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-36.7	-168.3	64.8	0	0	0	0	114	D43	D43-S45 VanDerWaalsContact C-N 3.28Å; D43-S45 PolarHBondContact O-N 2.81Å; D43-S45 PolarHBondContact OD1-N 2.84Å; D43-S45 PolarHBondContact OD1-OG 3.43Å; D43-S45 VanDerWaalsContact OD1-OG 3.06Å
46	E	47.2	Very low	49.7	Very low	163 Å²	163	89 Å²	89	76%	0.762	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-25.1	177.5	-101.8	-175.4	159.3	0	0	113.2
47	E	55.4	Low	50.9	Low	67 Å²	67	86.8 Å²	86.8	31%	0.313	44%	0.443	S	S	.	.	H	α-helix	trans	-91.5	-13	-175.2	-70.9	-168.8	138.5	0	0	114.5	I41 H42 Q49 N50 V51	I41-E47 VanDerWaalsContact CA-OE2 3.27Å; I41-E47 WeakPolarHBondContact CA-OE2 3.26Å; I41-E47 WeakPolarHBondContact CG2-OE2 3.09Å; H42-E47 PolarHBondContact N-OE2 2.63Å; E47-Q49 PolarHBondContact O-N 2.83Å; E47-N50 CarbonylContact O-C 3.51Å; E47-N50 WeakPolarHBondContact O-CB 3.49Å; E47-N50 PolarHBondContact O-N 2.99Å; E47-V51 WeakPolarHBondContact O-CG2 2.98Å; E47-V51 PolarHBondContact O-N 3.45Å
48	L	55.2	Low	52.2	Low	45 Å²	45	88.1 Å²	88.1	24%	0.236	45%	0.446	C	S	.	.	H	α-helix	trans	-67.6	-38.1	-174.2	-171.6	65.6	0	0	0	113	N50 V51 K52 E75 V91	L48-N50 VanDerWaalsContact C-N 3.33Å; L48-V51 PolarHBondContact O-N 3.29Å; L48-K52 WeakPolarHBondContact O-CG 3Å; L48-K52 PolarHBondContact O-N 2.88Å; L48-E75 WeakPolarHBondContact CD2-OE2 3.1Å; L48-V91 HydrophobicContact CD1-CG1 4.08Å; L48-V91 HydrophobicContact CD1-CG2 3.83Å
49	Q	61.5	Low	53.3	Low	111 Å²	111	83.7 Å²	83.7	52%	0.519	42%	0.417	S	S	.	.	H	α-helix	trans	-65.6	-41	173.1	-170.6	58.8	40.9	0	0	110.7	E47 V51 K52 D53	E47-Q49 PolarHBondContact O-N 2.83Å; Q49-V51 VanDerWaalsContact C-N 3.28Å; Q49-V51 PolarHBondContact O-N 3.34Å; Q49-K52 WeakPolarHBondContact O-CB 3.27Å; Q49-K52 PolarHBondContact O-N 2.89Å; Q49-K52 VanDerWaalsContact O-N 3.14Å; Q49-D53 PolarHBondContact NE2-OD1 3.29Å; Q49-D53 WeakPolarHBondContact O-CB 3.27Å; Q49-D53 PolarHBondContact O-N 3.4Å
50	N	58.5	Low	54.4	Low	83 Å²	83	81.7 Å²	81.7	44%	0.444	41%	0.41	S	S	.	.	H	α-helix	trans	-64.9	-32.1	177.2	-152.3	-7.2	0	0	0	112.2	E47 L48 K54	E47-N50 CarbonylContact O-C 3.51Å; E47-N50 WeakPolarHBondContact O-CB 3.49Å; E47-N50 PolarHBondContact O-N 2.99Å; L48-N50 VanDerWaalsContact C-N 3.33Å; N50-K54 VanDerWaalsContact O-CB 3.27Å; N50-K54 WeakPolarHBondContact O-CB 3.33Å; N50-K54 WeakPolarHBondContact O-CG 3.27Å; N50-K54 PolarHBondContact O-N 3.24Å
51	V	58.1	Low	54.7	Low	24 Å²	24	82.7 Å²	82.7	15%	0.145	41%	0.409	C	S	.	.	H	α-helix	trans	-71	-43	171.6	171.1	0	0	0	0	111.2	F39 E47 L48 Q49 K54 L55	F39-V51 HydrophobicContact CD2-CG1 4.42Å; F39-V51 HydrophobicContact CD2-CG2 4.32Å; F39-V51 HydrophobicContact CE2-CG1 4.1Å; E47-V51 WeakPolarHBondContact O-CG2 2.98Å; E47-V51 PolarHBondContact O-N 3.45Å; L48-V51 PolarHBondContact O-N 3.29Å; Q49-V51 VanDerWaalsContact C-N 3.28Å; Q49-V51 PolarHBondContact O-N 3.34Å; V51-K54 PolarHBondContact O-N 2.8Å; V51-L55 VanDerWaalsContact O-CB 3.3Å; V51-L55 WeakPolarHBondContact O-CB 3.25Å; V51-L55 PolarHBondContact O-N 3.07Å
52	K	62.1	Low	55.1	Low	40 Å²	40	83.9 Å²	83.9	17%	0.174	43%	0.429	C	S	.	.	H	α-helix	trans	-59.1	-49.3	174.1	-72.8	173.2	-178	173.7	0	110.6	L48 Q49 K54 L55 E56 V72 E75 L93	L48-K52 WeakPolarHBondContact O-CG 3Å; L48-K52 PolarHBondContact O-N 2.88Å; Q49-K52 WeakPolarHBondContact O-CB 3.27Å; Q49-K52 PolarHBondContact O-N 2.89Å; Q49-K52 VanDerWaalsContact O-N 3.14Å; K52-K54 PolarHBondContact O-N 2.91Å; K52-L55 PolarHBondContact O-N 3.36Å; K52-E56 WeakPolarHBondContact O-CG 3.3Å; K52-E56 PolarHBondContact O-N 2.91Å; K52-V72 HydrophobicContact CG-CG1 4.46Å; K52-E75 IonicContact NZ-OE2 2.89Å; K52-E75 PolarHBondContact NZ-OE2 3.21Å; K52-L93 HydrophobicContact CG-CD1 4.18Å; K52-L93 HydrophobicContact CG-CD2 4.44Å
53	D	64	Low	55.6	Low	76 Å²	76	78.6 Å²	78.6	41%	0.406	42%	0.417	S	S	.	.	H	α-helix	trans	-63.3	-44.6	-179.8	-61.6	-14.8	0	0	0	111.3	Q49 E56 Q57	Q49-D53 PolarHBondContact NE2-OD1 3.29Å; Q49-D53 WeakPolarHBondContact O-CB 3.27Å; Q49-D53 PolarHBondContact O-N 3.4Å; D53-E56 PolarHBondContact O-N 3.02Å; D53-Q57 WeakPolarHBondContact O-CB 3.47Å; D53-Q57 PolarHBondContact O-N 2.95Å
54	K	60.2	Low	55.4	Low	95 Å²	95	81.4 Å²	81.4	41%	0.413	44%	0.437	S	S	.	.	H	α-helix	trans	-64	-39.2	174.7	-86	174	178.2	165.6	0	112.9	F39 N50 V51 K52 Q57 I58	F39-K54 HydrophobicContact CE1-CD 4.49Å; N50-K54 VanDerWaalsContact O-CB 3.27Å; N50-K54 WeakPolarHBondContact O-CB 3.33Å; N50-K54 WeakPolarHBondContact O-CG 3.27Å; N50-K54 PolarHBondContact O-N 3.24Å; V51-K54 PolarHBondContact O-N 2.8Å; K52-K54 PolarHBondContact O-N 2.91Å; K54-Q57 PolarHBondContact O-N 2.75Å; K54-I58 WeakPolarHBondContact O-CB 3.27Å; K54-I58 WeakPolarHBondContact O-CD1 3.5Å; K54-I58 WeakPolarHBondContact O-CG1 2.95Å; K54-I58 PolarHBondContact O-N 3.01Å
55	L	59.7	Low	55.2	Low	31 Å²	31	86.6 Å²	86.6	16%	0.162	45%	0.452	C	S	.	.	H	α-helix	trans	-67.5	-43.5	179.5	-155.5	87.5	0	0	0	110.6	P37 V51 K52 Q57 I58 L59 L93	P37-L55 HydrophobicContact CG-CD1 4.05Å; V51-L55 VanDerWaalsContact O-CB 3.3Å; V51-L55 WeakPolarHBondContact O-CB 3.25Å; V51-L55 PolarHBondContact O-N 3.07Å; K52-L55 PolarHBondContact O-N 3.36Å; L55-Q57 VanDerWaalsContact C-N 3.3Å; L55-Q57 PolarHBondContact O-N 2.94Å; L55-I58 PolarHBondContact O-N 2.98Å; L55-L59 HydrophobicContact CD2-CD1 4.04Å; L55-L59 HydrophobicContact CG-CD1 4.05Å; L55-L59 WeakPolarHBondContact O-CB 3.43Å; L55-L59 VanDerWaalsContact O-CG 3.23Å; L55-L59 WeakPolarHBondContact O-CG 3.11Å; L55-L59 PolarHBondContact O-N 3.24Å; L55-L93 HydrophobicContact CD2-CD1 3.92Å
56	E	61.9	Low	55	Low	53 Å²	53	87.9 Å²	87.9	25%	0.248	46%	0.455	C	S	.	.	H	α-helix	trans	-61.1	-39	171.7	-71.6	-171.1	163	0	0	111.6	K52 D53 N60 V72	K52-E56 WeakPolarHBondContact O-CG 3.3Å; K52-E56 PolarHBondContact O-N 2.91Å; D53-E56 PolarHBondContact O-N 3.02Å; E56-N60 VanDerWaalsContact O-CB 3.27Å; E56-N60 WeakPolarHBondContact O-CB 3.43Å; E56-N60 PolarHBondContact O-N 3.36Å; E56-N60 PolarHBondContact O-ND2 3.37Å; E56-V72 HydrophobicContact CG-CB 4.47Å; E56-V72 HydrophobicContact CG-CG2 3.79Å; E56-V72 PolarHBondContact OE1-N 2.84Å
57	Q	59.9	Low	55.3	Low	117 Å²	117	88.9 Å²	88.9	55%	0.547	46%	0.46	S	S	.	.	H	α-helix	trans	-66.1	-36.3	175.8	-133.7	-179.1	41.9	0	0	112.8	D53 K54 L55 R61	D53-Q57 WeakPolarHBondContact O-CB 3.47Å; D53-Q57 PolarHBondContact O-N 2.95Å; K54-Q57 PolarHBondContact O-N 2.75Å; L55-Q57 VanDerWaalsContact C-N 3.3Å; L55-Q57 PolarHBondContact O-N 2.94Å; Q57-R61 WeakPolarHBondContact O-CB 3.47Å; Q57-R61 VanDerWaalsContact O-CG 3.25Å; Q57-R61 WeakPolarHBondContact O-CG 3.35Å; Q57-R61 PolarHBondContact O-N 3.47Å; Q57-R61 VanDerWaalsContact O-N 3.09Å
58	I	60.4	Low	55.1	Low	87 Å²	87	88.3 Å²	88.3	45%	0.446	46%	0.461	S	S	.	.	H	α-helix	trans	-73.1	-48.2	177.9	-71.7	163.2	0	0	0	110.5	K54 L55 N60 R61	K54-I58 WeakPolarHBondContact O-CB 3.27Å; K54-I58 WeakPolarHBondContact O-CD1 3.5Å; K54-I58 WeakPolarHBondContact O-CG1 2.95Å; K54-I58 PolarHBondContact O-N 3.01Å; L55-I58 PolarHBondContact O-N 2.98Å; I58-N60 PolarHBondContact O-N 3.27Å; I58-R61 PolarHBondContact O-N 2.82Å
59	L	59.5	Low	55.1	Low	51 Å²	51	90 Å²	90	27%	0.267	47%	0.465	S	S	.	.	H	α-helix	trans	-63.8	-30.8	-179.1	-70.9	166.8	0	0	0	112.1	L35 L55 L95	L35-L59 HydrophobicContact CD1-CD2 4.33Å; L55-L59 HydrophobicContact CD2-CD1 4.04Å; L55-L59 HydrophobicContact CG-CD1 4.05Å; L55-L59 WeakPolarHBondContact O-CB 3.43Å; L55-L59 VanDerWaalsContact O-CG 3.23Å; L55-L59 WeakPolarHBondContact O-CG 3.11Å; L55-L59 PolarHBondContact O-N 3.24Å; L59-L95 HydrophobicContact CD1-CD1 3.67Å; L59-L95 HydrophobicContact CD1-CD2 3.63Å; L59-L95 HydrophobicContact CD1-CG 4.32Å
60	N	63.2	Low	54.9	Low	37 Å²	37	88.9 Å²	88.9	20%	0.198	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-0.3	179.5	-60.5	-55.3	0	0	0	113.5	E56 I58 G62 Y69 Y70	E56-N60 VanDerWaalsContact O-CB 3.27Å; E56-N60 WeakPolarHBondContact O-CB 3.43Å; E56-N60 PolarHBondContact O-N 3.36Å; E56-N60 PolarHBondContact O-ND2 3.37Å; I58-N60 PolarHBondContact O-N 3.27Å; N60-G62 PolarHBondContact O-N 3.43Å; N60-Y69 HydrophobicContact CB-CE1 4.35Å; N60-Y70 PolarHBondContact ND2-O 3.44Å; N60-Y70 VanDerWaalsContact ND2-O 3.14Å; N60-Y70 PolarHBondContact OD1-N 2.78Å
61	R	48.4	Very low	55	Low	199 Å²	199	90.6 Å²	90.6	75%	0.751	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	97.6	173.9	-106.4	179.8	171.6	172.9	1.1	110.3	Q57 I58	Q57-R61 WeakPolarHBondContact O-CB 3.47Å; Q57-R61 VanDerWaalsContact O-CG 3.25Å; Q57-R61 WeakPolarHBondContact O-CG 3.35Å; Q57-R61 PolarHBondContact O-N 3.47Å; Q57-R61 VanDerWaalsContact O-N 3.09Å; I58-R61 PolarHBondContact O-N 2.82Å
62	G	48.2	Very low	55.3	Low	59 Å²	59	90.4 Å²	90.4	61%	0.608	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	126.3	-4.7	173.8	0	0	0	0	0	115	N60 T64	N60-G62 PolarHBondContact O-N 3.43Å; G62-T64 VanDerWaalsContact C-N 3.26Å; G62-T64 PolarHBondContact O-N 3.31Å; G62-T64 PolarHBondContact O-OG1 3.18Å
63	A	52.8	Low	55.3	Low	68 Å²	68	91.8 Å²	91.8	56%	0.562	47%	0.471	S	S	*	.			trans	-65.8	85.4	171.8	0	0	0	0	0	110
64	T	40.5	Very low	55.2	Low	130 Å²	130	93.5 Å²	93.5	80%	0.798	48%	0.476	S	S	*	.			trans	-100.4	1.4	-175.4	41.4	0	0	0	0	113	G62	G62-T64 VanDerWaalsContact C-N 3.26Å; G62-T64 PolarHBondContact O-N 3.31Å; G62-T64 PolarHBondContact O-OG1 3.18Å
65	K	38.7	Very low	55.1	Low	187 Å²	187	92.3 Å²	92.3	81%	0.813	47%	0.472	S	S	*	.	S	Bend	trans	-161.7	139.2	174.6	-97.9	151.7	-171.4	-171.2	0	109.4
66	T	40.1	Very low	54.9	Low	122 Å²	122	96.3 Å²	96.3	75%	0.748	49%	0.488	S	S	*	.	S	Bend	trans	72	101.8	163.4	56.5	0	0	0	0	120.2	V68	T66-V68 PolarHBondContact O-N 3.13Å
67	E	53.7	Low	54.4	Low	184 Å²	184	95.3 Å²	95.3	86%	0.86	48%	0.484	S	S	*	.	S	Bend	trans	55.9	-9	140.4	-63.9	-177.1	176.1	0	0	123.6
68	V	49.8	Very low	53.8	Low	55 Å²	55	91.7 Å²	91.7	33%	0.333	47%	0.474	S	S	.	.			trans	-120.9	117.6	-171.2	-173.1	0	0	0	0	113	T66 Y70 E97	T66-V68 PolarHBondContact O-N 3.13Å; V68-Y70 HydrophobicContact CG1-CE1 4.35Å; V68-Y70 HydrophobicContact CG1-CE2 4Å; V68-E97 HydrophobicContact CG1-CB 4.09Å; V68-E97 HydrophobicContact CG1-CG 3.41Å; V68-E97 VanDerWaalsContact CG1-CG 3.41Å; V68-E97 WeakPolarHBondContact CG1-OE1 3.44Å
69	Y	56.2	Low	53.5	Low	81 Å²	81	88 Å²	88	32%	0.318	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.9	172.4	-103.1	-97.2	0	0	0	110.9	N60 E97 T98 K102	N60-Y69 HydrophobicContact CB-CE1 4.35Å; Y69-E97 WeakPolarHBondContact O-CA 3.44Å; Y69-T98 PolarHBondContact O-N 3.48Å; Y69-T98 PolarHBondContact O-OG1 3.37Å; Y69-K102 PolarHBondContact OH-NZ 2.66Å
70	Y	57.9	Low	53	Low	88 Å²	88	88.7 Å²	88.7	35%	0.345	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	123.2	174.6	-64.6	-78.4	0	0	0	110.4	N60 V68 L95 E97	N60-Y70 PolarHBondContact ND2-O 3.44Å; N60-Y70 VanDerWaalsContact ND2-O 3.14Å; N60-Y70 PolarHBondContact OD1-N 2.78Å; V68-Y70 HydrophobicContact CG1-CE1 4.35Å; V68-Y70 HydrophobicContact CG1-CE2 4Å; Y70-L95 HydrophobicContact CD1-CB 4.45Å; Y70-E97 HydrophobicContact CD1-CG 4.07Å; Y70-E97 HydrophobicContact CE1-CG 3.48Å; Y70-E97 VanDerWaalsContact CE1-CG 3.48Å; Y70-E97 PolarHBondContact OH-OE1 3.35Å
71	K	60.3	Low	52.2	Low	118 Å²	118	87.9 Å²	87.9	51%	0.513	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	138.3	173.2	-171.1	173.9	-176.8	174.4	0	109.9	T73 L95 K96 T98	K71-T73 PolarHBondContact O-N 2.83Å; K71-L95 WeakPolarHBondContact O-CA 3.28Å; K71-K96 PolarHBondContact N-O 3.19Å; K71-K96 VanDerWaalsContact N-O 3.12Å; K71-K96 PolarHBondContact O-N 2.96Å; K71-T98 HydrophobicContact CB-CG2 4.14Å
72	V	63.9	Low	52.1	Low	21 Å²	21	81.3 Å²	81.3	13%	0.127	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	111.5	171.6	176.4	0	0	0	0	108	K52 E56 L93 L95	K52-V72 HydrophobicContact CG-CG1 4.46Å; E56-V72 HydrophobicContact CG-CB 4.47Å; E56-V72 HydrophobicContact CG-CG2 3.79Å; E56-V72 PolarHBondContact OE1-N 2.84Å; V72-L93 HydrophobicContact CG1-CB 4.09Å; V72-L93 HydrophobicContact CG1-CD1 4.21Å; V72-L93 HydrophobicContact CG1-CD2 3.94Å; V72-L93 HydrophobicContact CG1-CG 4.3Å; V72-L93 HydrophobicContact CG2-CD1 4.31Å; V72-L95 HydrophobicContact CG2-CD2 3.75Å
73	T	62.9	Low	52.1	Low	68 Å²	68	83.6 Å²	83.6	42%	0.417	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	-29.8	-177.1	47.6	0	0	0	0	113.8	K71 Q94 K96	K71-T73 PolarHBondContact O-N 2.83Å; T73-Q94 PolarHBondContact N-O 2.76Å; T73-Q94 PolarHBondContact OG1-O 2.67Å; T73-K96 HydrophobicContact CG2-CB 3.34Å; T73-K96 HydrophobicContact CG2-CD 4.02Å; T73-K96 HydrophobicContact CG2-CG 4.3Å
74	E	61.9	Low	52.4	Low	112 Å²	112	83.9 Å²	83.9	52%	0.523	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	144.8	-174.4	-155.6	172.2	-174.3	0	0	111.3	Q94	E74-Q94 HydrophobicContact CB-CB 4.03Å; E74-Q94 PolarHBondContact O-N 2.86Å; E74-Q94 PolarHBondContact OE2-OE1 3.46Å
75	E	58.3	Low	52.7	Low	71 Å²	71	87.3 Å²	87.3	33%	0.332	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	108.5	170.4	-175.9	177.1	162	0	0	108.2	L48 K52 V91 L93	L48-E75 WeakPolarHBondContact CD2-OE2 3.1Å; K52-E75 IonicContact NZ-OE2 2.89Å; K52-E75 PolarHBondContact NZ-OE2 3.21Å; E75-V91 HydrophobicContact CG-CG1 4.18Å; E75-L93 HydrophobicContact CB-CD2 4.1Å; E75-L93 HydrophobicContact CG-CD2 4.1Å
76	K	54.2	Low	52.7	Low	114 Å²	114	84.6 Å²	84.6	50%	0.496	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-35.2	-176.6	-78.1	-150.9	176.4	-175	0	112.8	I92 Q94	K76-I92 HydrophobicContact CB-CB 4.31Å; K76-I92 HydrophobicContact CB-CG2 4Å; K76-I92 PolarHBondContact N-O 2.78Å; K76-Q94 HydrophobicContact CG-CB 4.43Å
77	M	52.6	Low	52.8	Low	32 Å²	32	81.6 Å²	81.6	16%	0.158	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	134.1	-174.4	-176	168.6	-84	0	0	111.4	Q20 F21 I79 V91 I92	Q20-M77 HydrophobicContact CB-CE 3.71Å; F21-M77 HydrophobicContact CB-SD 3.92Å; F21-M77 HydrophobicContact CD2-SD 4.29Å; M77-I79 HydrophobicContact CG-CD1 4.25Å; M77-I79 HydrophobicContact CG-CG1 3.89Å; M77-I79 HydrophobicContact SD-CD1 3.75Å; M77-I79 HydrophobicContact SD-CG1 4.06Å; M77-V91 CarbonylContact O-C 3.52Å; M77-V91 WeakPolarHBondContact O-CA 3.4Å; M77-I92 HydrophobicContact CB-CB 4.3Å; M77-I92 HydrophobicContact CB-CD1 4.33Å; M77-I92 HydrophobicContact CB-CG1 4.37Å; M77-I92 PolarHBondContact N-O 3.47Å; M77-I92 PolarHBondContact O-N 3.26Å
78	A	47.2	Very low	52.3	Low	42 Å²	42	76.4 Å²	76.4	35%	0.347	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.1	165.9	0	0	0	0	0	109.5	V90 V91	A78-V90 CarbonylContact C-O 3.54Å; A78-V90 WeakPolarHBondContact CA-O 3.35Å; A78-V91 HydrophobicContact CB-CG2 4.25Å
79	I	52.8	Low	52.1	Low	10 Å²	10	75.3 Å²	75.3	5%	0.051	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.8	175.8	-61.2	-177.7	0	0	0	108.4	K17 F21 M77 A89 V90	K17-I79 HydrophobicContact CB-CD1 4.19Å; K17-I79 HydrophobicContact CB-CG1 4.24Å; K17-I79 VanDerWaalsContact O-CD1 3.24Å; K17-I79 WeakPolarHBondContact O-CD1 3.48Å; F21-I79 HydrophobicContact CB-CD1 3.42Å; F21-I79 VanDerWaalsContact CB-CD1 3.42Å; F21-I79 HydrophobicContact CD2-CD1 4.01Å; F21-I79 HydrophobicContact CG-CD1 3.91Å; M77-I79 HydrophobicContact CG-CD1 4.25Å; M77-I79 HydrophobicContact CG-CG1 3.89Å; M77-I79 HydrophobicContact SD-CD1 3.75Å; M77-I79 HydrophobicContact SD-CG1 4.06Å; I79-A89 CarbonylContact O-C 3.47Å; I79-A89 VanDerWaalsContact O-CA 3.29Å; I79-A89 WeakPolarHBondContact O-CA 3.25Å; I79-V90 PolarHBondContact N-O 3.08Å; I79-V90 PolarHBondContact O-N 3.44Å
80	T	49.2	Very low	51.6	Low	64 Å²	64	73.4 Å²	73.4	39%	0.393	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	120.6	171.4	-38.5	0	0	0	0	108.4	T88 A89	T80-T88 CarbonylContact C-O 3.59Å; T80-T88 WeakPolarHBondContact CA-O 3.31Å; T80-A89 HydrophobicContact CG2-CB 4.34Å
81	C	47.6	Very low	51.1	Low	21 Å²	21	71.3 Å²	71.3	14%	0.142	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	115.6	178.4	-91.8	0	0	0	0	108.8	C13 T88	C13-C81 HydrophobicContact CB-CB 4.37Å; C13-C81 WeakPolarHBondContact CB-SG 3.31Å; C13-C81 WeakPolarHBondContact SG-CA 3.33Å; C13-C81 WeakPolarHBondContact SG-CB 3.5Å; C13-C81 CovalentContact SG-SG 2.03Å; C13-C81 PolarHBondContact SG-SG 3.07Å; C81-T88 PolarHBondContact N-O 3.05Å; C81-T88 PolarHBondContact O-N 2.83Å
82	T	45.9	Very low	50.6	Low	60 Å²	60	67.1 Å²	67.1	37%	0.368	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	121.7	178.9	-42.3	0	0	0	0	108.8	G12	G12-T82 PolarHBondContact O-N 3.32Å
83	I	47.2	Very low	50	Low	108 Å²	108	67.7 Å²	67.7	55%	0.554	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	102.5	175	-54.9	177.9	0	0	0	107.4	K85 H86	I83-K85 PolarHBondContact O-N 3.14Å; I83-H86 PolarHBondContact N-O 2.62Å; I83-H86 PolarHBondContact O-N 3.38Å
84	G	59.5	Low	49.3	Very low	74 Å²	74	67.9 Å²	67.9	76%	0.763	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	-126	-175.7	0	0	0	0	0	112.5	H86	G84-H86 VanDerWaalsContact C-N 3.27Å; G84-H86 PolarHBondContact O-N 3.47Å
85	K	47	Very low	48.9	Very low	202 Å²	202	66 Å²	66	88%	0.878	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	4.6	177	-67.6	-174.2	177.9	-178.1	0	114	I83	I83-K85 PolarHBondContact O-N 3.14Å
86	H	38.2	Very low	49	Very low	129 Å²	129	68.8 Å²	68.8	60%	0.597	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.8	121	-173.6	-63	-55.2	0	0	0	110.7	I83 G84	I83-H86 PolarHBondContact N-O 2.62Å; I83-H86 PolarHBondContact O-N 3.38Å; G84-H86 VanDerWaalsContact C-N 3.27Å; G84-H86 PolarHBondContact O-N 3.47Å
87	S	43.3	Very low	49	Very low	60 Å²	60	68.5 Å²	68.5	42%	0.42	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.7	171.4	-53	0	0	0	0	108.9
88	T	43.5	Very low	49.1	Very low	75 Å²	75	68.4 Å²	68.4	46%	0.46	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	114.5	174.5	-50.5	0	0	0	0	108.3	T80 C81	T80-T88 CarbonylContact C-O 3.59Å; T80-T88 WeakPolarHBondContact CA-O 3.31Å; C81-T88 PolarHBondContact N-O 3.05Å; C81-T88 PolarHBondContact O-N 2.83Å
89	A	44.6	Very low	49.1	Very low	31 Å²	31	73.8 Å²	73.8	26%	0.256	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.3	171.2	0	0	0	0	0	110.4	I41 I79 T80	I41-A89 HydrophobicContact CD1-CB 3.74Å; I79-A89 CarbonylContact O-C 3.47Å; I79-A89 VanDerWaalsContact O-CA 3.29Å; I79-A89 WeakPolarHBondContact O-CA 3.25Å; T80-A89 HydrophobicContact CG2-CB 4.34Å
90	V	46	Very low	48.5	Very low	42 Å²	42	77.4 Å²	77.4	26%	0.255	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	114.3	172.6	-177.9	0	0	0	0	107.1	F21 A78 I79	F21-V90 HydrophobicContact CD2-CG1 4.44Å; F21-V90 HydrophobicContact CE2-CG1 3.53Å; F21-V90 HydrophobicContact CZ-CG1 3.86Å; A78-V90 CarbonylContact C-O 3.54Å; A78-V90 WeakPolarHBondContact CA-O 3.35Å; I79-V90 PolarHBondContact N-O 3.08Å; I79-V90 PolarHBondContact O-N 3.44Å
91	V	48.2	Very low	47.9	Very low	44 Å²	44	83.3 Å²	83.3	27%	0.267	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	128.6	-179.3	-171.5	0	0	0	0	109.1	L48 E75 M77 A78 L93	L48-V91 HydrophobicContact CD1-CG1 4.08Å; L48-V91 HydrophobicContact CD1-CG2 3.83Å; E75-V91 HydrophobicContact CG-CG1 4.18Å; M77-V91 CarbonylContact O-C 3.52Å; M77-V91 WeakPolarHBondContact O-CA 3.4Å; A78-V91 HydrophobicContact CB-CG2 4.25Å; V91-L93 HydrophobicContact CG1-CD2 3.76Å; V91-L93 HydrophobicContact CG1-CG 3.96Å
92	I	47.8	Very low	47.4	Very low	30 Å²	30	89.1 Å²	89.1	15%	0.154	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	117.9	172.7	-56.3	-172.6	0	0	0	107.9	F21 L24 K76 M77	F21-I92 HydrophobicContact CD2-CD1 3.65Å; F21-I92 HydrophobicContact CD2-CG1 4.35Å; F21-I92 HydrophobicContact CE2-CD1 3.65Å; F21-I92 HydrophobicContact CE2-CG1 4.06Å; L24-I92 HydrophobicContact CD2-CD1 3.34Å; L24-I92 HydrophobicContact CD2-CG2 4.26Å; K76-I92 HydrophobicContact CB-CB 4.31Å; K76-I92 HydrophobicContact CB-CG2 4Å; K76-I92 PolarHBondContact N-O 2.78Å; M77-I92 HydrophobicContact CB-CB 4.3Å; M77-I92 HydrophobicContact CB-CD1 4.33Å; M77-I92 HydrophobicContact CB-CG1 4.37Å; M77-I92 PolarHBondContact N-O 3.47Å; M77-I92 PolarHBondContact O-N 3.26Å
93	L	51.3	Low	46.8	Very low	32 Å²	32	92.3 Å²	92.3	17%	0.168	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	135.3	179.3	-62.7	175	0	0	0	109.3	K52 L55 V72 E75 V91	K52-L93 HydrophobicContact CG-CD1 4.18Å; K52-L93 HydrophobicContact CG-CD2 4.44Å; L55-L93 HydrophobicContact CD2-CD1 3.92Å; V72-L93 HydrophobicContact CG1-CB 4.09Å; V72-L93 HydrophobicContact CG1-CD1 4.21Å; V72-L93 HydrophobicContact CG1-CD2 3.94Å; V72-L93 HydrophobicContact CG1-CG 4.3Å; V72-L93 HydrophobicContact CG2-CD1 4.31Å; E75-L93 HydrophobicContact CB-CD2 4.1Å; E75-L93 HydrophobicContact CG-CD2 4.1Å; V91-L93 HydrophobicContact CG1-CD2 3.76Å; V91-L93 HydrophobicContact CG1-CG 3.96Å
94	Q	50	Low	46.3	Very low	73 Å²	73	89.7 Å²	89.7	34%	0.341	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	126	171.9	-171.4	168.4	-13.3	0	0	109	T73 E74 K76	T73-Q94 PolarHBondContact N-O 2.76Å; T73-Q94 PolarHBondContact OG1-O 2.67Å; E74-Q94 HydrophobicContact CB-CB 4.03Å; E74-Q94 PolarHBondContact O-N 2.86Å; E74-Q94 PolarHBondContact OE2-OE1 3.46Å; K76-Q94 HydrophobicContact CG-CB 4.43Å
95	L	53.3	Low	45.3	Very low	71 Å²	71	95 Å²	95	37%	0.372	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	141.5	176.4	-64.2	166.2	0	0	0	109.3	L59 Y70 K71 V72	L59-L95 HydrophobicContact CD1-CD1 3.67Å; L59-L95 HydrophobicContact CD1-CD2 3.63Å; L59-L95 HydrophobicContact CD1-CG 4.32Å; Y70-L95 HydrophobicContact CD1-CB 4.45Å; K71-L95 WeakPolarHBondContact O-CA 3.28Å; V72-L95 HydrophobicContact CG2-CD2 3.75Å
96	K	58.6	Low	45.2	Very low	131 Å²	131	90.5 Å²	90.5	57%	0.57	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	135.7	170.6	-168.8	-178.9	175.5	177.9	0	109.4	K71 T73	K71-K96 PolarHBondContact N-O 3.19Å; K71-K96 VanDerWaalsContact N-O 3.12Å; K71-K96 PolarHBondContact O-N 2.96Å; T73-K96 HydrophobicContact CG2-CB 3.34Å; T73-K96 HydrophobicContact CG2-CD 4.02Å; T73-K96 HydrophobicContact CG2-CG 4.3Å
97	E	55.6	Low	45.6	Very low	108 Å²	108	89.3 Å²	89.3	51%	0.505	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	130.4	165.9	-72.2	-174.6	163.6	0	0	109.6	V68 Y69 Y70	V68-E97 HydrophobicContact CG1-CB 4.09Å; V68-E97 HydrophobicContact CG1-CG 3.41Å; V68-E97 VanDerWaalsContact CG1-CG 3.41Å; V68-E97 WeakPolarHBondContact CG1-OE1 3.44Å; Y69-E97 WeakPolarHBondContact O-CA 3.44Å; Y70-E97 HydrophobicContact CD1-CG 4.07Å; Y70-E97 HydrophobicContact CE1-CG 3.48Å; Y70-E97 VanDerWaalsContact CE1-CG 3.48Å; Y70-E97 PolarHBondContact OH-OE1 3.35Å
98	T	54.1	Low	45.8	Very low	30 Å²	30	92 Å²	92	18%	0.184	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	133.9	179	63.6	0	0	0	0	110.8	Y69 K71 C100	Y69-T98 PolarHBondContact O-N 3.48Å; Y69-T98 PolarHBondContact O-OG1 3.37Å; K71-T98 HydrophobicContact CB-CG2 4.14Å; T98-C100 PolarHBondContact O-N 2.83Å
99	N	47	Very low	46.3	Very low	154 Å²	154	93 Å²	93	82%	0.824	50%	0.496	S	S	*	.			trans	-78.8	32.3	175.4	-60.2	-3.2	0	0	0	112	E101	N99-E101 PolarHBondContact O-N 2.83Å
100	C	41.2	Very low	46.8	Very low	87 Å²	87	93.4 Å²	93.4	59%	0.588	50%	0.496	S	S	*	.			trans	-74	104.2	-175.7	-68.6	0	0	0	0	109.6	T98 K102	T98-C100 PolarHBondContact O-N 2.83Å; C100-K102 PolarHBondContact O-N 3.49Å; C100-K102 VanDerWaalsContact O-N 3.15Å
101	E	36.7	Very low	47.1	Very low	188 Å²	188	97.3 Å²	97.3	88%	0.879	51%	0.51	S	S	*	.			trans	-53.7	119.6	158.2	-76.3	-176	160.5	0	0	107.8	N99 S103	N99-E101 PolarHBondContact O-N 2.83Å; E101-S103 PolarHBondContact O-N 2.74Å
102	K	36.4	Very low	47.1	Very low	143 Å²	143	99.9 Å²	99.9	62%	0.622	53%	0.527	S	S	*	.			trans	-62.3	106.5	171.3	-138.2	176.6	-172.2	166.7	0	106	Y69 C100 A104	Y69-K102 PolarHBondContact OH-NZ 2.66Å; C100-K102 PolarHBondContact O-N 3.49Å; C100-K102 VanDerWaalsContact O-N 3.15Å; K102-A104 HydrophobicContact CB-CB 4.39Å; K102-A104 HydrophobicContact CD-CB 4.18Å; K102-A104 HydrophobicContact CG-CB 3.99Å; K102-A104 PolarHBondContact O-N 3.47Å
103	S	34.2	Very low	47.4	Very low	127 Å²	127	106 Å²	106	89%	0.888	56%	0.556	S	S	*	*			trans	-71.4	48.5	160.7	78.1	0	0	0	0	109.5	E101	E101-S103 PolarHBondContact O-N 2.74Å
104	A	35.7	Very low	47.5	Very low	53 Å²	53	110.1 Å²	110.1	44%	0.438	57%	0.574	S	S	.	*			trans	-97.5	93.2	161.3	0	0	0	0	0	103.1	K102 P106	K102-A104 HydrophobicContact CB-CB 4.39Å; K102-A104 HydrophobicContact CD-CB 4.18Å; K102-A104 HydrophobicContact CG-CB 3.99Å; K102-A104 PolarHBondContact O-N 3.47Å; A104-P106 WeakPolarHBondContact O-CD 3.49Å
105	E	39.5	Very low	47.7	Very low	185 Å²	185	108 Å²	108	86%	0.864	57%	0.565	S	S	*	*			trans	-48.3	115.5	159.9	-76.4	-172.5	168.3	0	0	105.9	F107	E105-F107 VanDerWaalsContact C-N 3.33Å; E105-F107 PolarHBondContact O-N 3.31Å
106	P	43.7	Very low	48	Very low	108 Å²	108	108.1 Å²	108.1	70%	0.701	57%	0.57	S	S	*	*			trans	-63.8	104	176.8	24.1	-29.2	0	0	0	105.6	A104 T108	A104-P106 WeakPolarHBondContact O-CD 3.49Å; P106-T108 VanDerWaalsContact C-N 3.3Å; P106-T108 PolarHBondContact O-N 3.49Å; P106-T108 PolarHBondContact O-OG1 2.84Å; P106-T108 VanDerWaalsContact O-OG1 3.06Å
107	F	47	Very low	48.3	Very low	104 Å²	104	107.5 Å²	107.5	46%	0.456	57%	0.573	S	S	.	*			trans	-58.8	104.3	171.7	176.4	-102.6	0	0	0	106.4	E105 Y109 P130 P132	E105-F107 VanDerWaalsContact C-N 3.33Å; E105-F107 PolarHBondContact O-N 3.31Å; F107-Y109 HydrophobicContact CD1-CD1 4.32Å; F107-Y109 HydrophobicContact CD1-CE1 4.29Å; F107-Y109 AromaticContact CE1-CD1 3.69Å; F107-Y109 HydrophobicContact CE1-CD1 3.69Å; F107-Y109 AromaticContact CE1-CE1 3.84Å; F107-Y109 HydrophobicContact CE1-CE1 3.84Å; F107-Y109 HydrophobicContact CE1-CG 4.28Å; F107-Y109 PolarHBondContact O-N 2.81Å; F107-P130 HydrophobicContact CE1-CB 4.44Å; F107-P130 HydrophobicContact CZ-CB 4.06Å; F107-P132 HydrophobicContact CD2-CG 4.26Å; F107-P132 HydrophobicContact CE2-CG 4.27Å; F107-P132 HydrophobicContact CG-CG 4.41Å; F107-P132 HydrophobicContact CZ-CG 4.41Å
108	T	46.8	Very low	48.5	Very low	117 Å²	117	104.3 Å²	104.3	72%	0.718	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-84.8	116.7	179.1	-18	0	0	0	0	104.6	P106	P106-T108 VanDerWaalsContact C-N 3.3Å; P106-T108 PolarHBondContact O-N 3.49Å; P106-T108 PolarHBondContact O-OG1 2.84Å; P106-T108 VanDerWaalsContact O-OG1 3.06Å
109	Y	55.2	Low	49.3	Very low	96 Å²	96	106.4 Å²	106.4	38%	0.376	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-54.9	135.3	174.5	-73.9	-75.8	0	0	0	108.5	F107 K111 L129 A144	F107-Y109 HydrophobicContact CD1-CD1 4.32Å; F107-Y109 HydrophobicContact CD1-CE1 4.29Å; F107-Y109 AromaticContact CE1-CD1 3.69Å; F107-Y109 HydrophobicContact CE1-CD1 3.69Å; F107-Y109 AromaticContact CE1-CE1 3.84Å; F107-Y109 HydrophobicContact CE1-CE1 3.84Å; F107-Y109 HydrophobicContact CE1-CG 4.28Å; F107-Y109 PolarHBondContact O-N 2.81Å; Y109-K111 PolarHBondContact O-N 2.76Å; Y109-L129 HydrophobicContact CD1-CD1 4.05Å; Y109-L129 HydrophobicContact CE1-CD1 3.38Å; Y109-L129 HydrophobicContact CE1-CG 4.12Å; Y109-A144 PolarHBondContact OH-O 3.15Å
110	P	55.3	Low	50.9	Low	39 Å²	39	102.4 Å²	102.4	25%	0.253	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-52.8	137.3	171.4	-17.3	26.4	0	0	0	108.3	E114 L115 P130	P110-E114 VanDerWaalsContact CA-OE2 3.26Å; P110-E114 WeakPolarHBondContact CA-OE2 3.29Å; P110-E114 HydrophobicContact CB-CB 3.96Å; P110-L115 HydrophobicContact CB-CD2 3.93Å; P110-L115 HydrophobicContact CB-CG 4.31Å; P110-L115 HydrophobicContact CG-CD2 4.05Å; P110-P130 HydrophobicContact CG-CG 4.28Å
111	K	51.3	Low	52.8	Low	123 Å²	123	98.2 Å²	98.2	54%	0.535	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-59.5	152.1	172.5	-66.8	176.9	-177.1	169.1	0	108.9	Y109 E113 E114 L115	Y109-K111 PolarHBondContact O-N 2.76Å; K111-E113 WeakPolarHBondContact CB-OE2 3.38Å; K111-E113 PolarHBondContact O-N 3.09Å; K111-E114 HydrophobicContact CB-CG 4.17Å; K111-E114 PolarHBondContact N-OE2 2.79Å; K111-E114 WeakPolarHBondContact O-CA 3.32Å; K111-E114 WeakPolarHBondContact O-CB 3.5Å; K111-E114 PolarHBondContact O-N 3.09Å; K111-L115 PolarHBondContact O-N 3.11Å
112	P	48.9	Very low	54.7	Low	99 Å²	99	93.7 Å²	93.7	64%	0.643	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-30.2	176.3	-27.4	35.9	0	0	0	113.7	E114	P112-E114 VanDerWaalsContact C-N 3.31Å
113	E	54.1	Low	56.4	Low	159 Å²	159	92.6 Å²	92.6	74%	0.743	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-22.1	174.8	-51.8	89.4	-131.8	0	0	114.1	K111	K111-E113 WeakPolarHBondContact CB-OE2 3.38Å; K111-E113 PolarHBondContact O-N 3.09Å
114	E	53.2	Low	58.4	Low	117 Å²	117	87.3 Å²	87.3	55%	0.547	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-12.9	-179.9	-62.4	166.4	-179	0	0	112.3	P110 K111 P112 C116	P110-E114 VanDerWaalsContact CA-OE2 3.26Å; P110-E114 WeakPolarHBondContact CA-OE2 3.29Å; P110-E114 HydrophobicContact CB-CB 3.96Å; K111-E114 HydrophobicContact CB-CG 4.17Å; K111-E114 PolarHBondContact N-OE2 2.79Å; K111-E114 WeakPolarHBondContact O-CA 3.32Å; K111-E114 WeakPolarHBondContact O-CB 3.5Å; K111-E114 PolarHBondContact O-N 3.09Å; P112-E114 VanDerWaalsContact C-N 3.31Å; E114-C116 PolarHBondContact O-N 3.49Å; E114-C116 VanDerWaalsContact O-N 3.1Å
115	L	54.5	Low	60.3	Low	29 Å²	29	91 Å²	91	15%	0.152	48%	0.475	C	S	.	.			trans	-76.1	96.6	174.8	-67.1	174.6	0	0	0	109.6	P110 K111 W119 Y127 P130	P110-L115 HydrophobicContact CB-CD2 3.93Å; P110-L115 HydrophobicContact CB-CG 4.31Å; P110-L115 HydrophobicContact CG-CD2 4.05Å; K111-L115 PolarHBondContact O-N 3.11Å; L115-W119 HydrophobicContact CD2-CB 4.22Å; L115-W119 HydrophobicContact CD2-CD2 4.44Å; L115-W119 HydrophobicContact CD2-CG 3.99Å; L115-Y127 HydrophobicContact CB-CD1 4.05Å; L115-Y127 HydrophobicContact CB-CE1 4.19Å; L115-Y127 HydrophobicContact CD1-CD1 4.35Å; L115-Y127 HydrophobicContact CD1-CG 4.13Å; L115-P130 HydrophobicContact CD2-CG 4.13Å
116	C	58.8	Low	62.1	Low	73 Å²	73	82.8 Å²	82.8	49%	0.493	44%	0.439	S	S	.	.			trans	-59.6	154.9	171.9	42.8	0	0	0	0	111.7	E114 A118 W119	E114-C116 PolarHBondContact O-N 3.49Å; E114-C116 VanDerWaalsContact O-N 3.1Å; C116-A118 CarbonylContact O-C 3.28Å; C116-A118 PolarHBondContact O-N 2.85Å; C116-W119 PolarHBondContact O-N 2.57Å
117	D	64.3	Low	64	Low	118 Å²	118	81.6 Å²	81.6	63%	0.631	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-51.6	-19	177.3	-92	-40.9	0	0	0	113	K120	D117-K120 WeakPolarHBondContact O-CB 3.43Å; D117-K120 PolarHBondContact O-N 3.21Å; D117-K120 WeakPolarHBondContact OD1-CD 3.2Å; D117-K120 IonicContact OD1-NZ 3.81Å; D117-K120 PolarHBondContact OD1-NZ 3.23Å
118	A	60	Low	65.8	Low	41 Å²	41	77 Å²	77	34%	0.339	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-49.8	-56.6	166.7	0	0	0	0	0	111	C116 K120 F381	C116-A118 CarbonylContact O-C 3.28Å; C116-A118 PolarHBondContact O-N 2.85Å; A118-K120 PolarHBondContact O-N 3.25Å; A118-F381 VanDerWaalsContact C-CE2 3.42Å; A118-F381 VanDerWaalsContact C-CZ 3.45Å; A118-F381 HydrophobicContact CB-CD2 3.83Å; A118-F381 HydrophobicContact CB-CE2 4.13Å; A118-F381 HydrophobicContact CB-CG 4.36Å; A118-F381 WeakPolarHBondContact O-CD1 3.2Å; A118-F381 WeakPolarHBondContact O-CE1 3.45Å; A118-F381 WeakPolarHBondContact O-CE2 3.41Å; A118-F381 WeakPolarHBondContact O-CZ 3.41Å
119	W	72.1	Confident	67.7	Low	74 Å²	74	72.6 Å²	72.6	28%	0.28	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-65.3	-6.6	-175.5	-72.8	90.3	0	0	0	115.6	L115 C116 Y127 R128 P130	L115-W119 HydrophobicContact CD2-CB 4.22Å; L115-W119 HydrophobicContact CD2-CD2 4.44Å; L115-W119 HydrophobicContact CD2-CG 3.99Å; C116-W119 PolarHBondContact O-N 2.57Å; W119-Y127 HydrophobicContact CB-CD1 4.01Å; W119-Y127 WeakPolarHBondContact O-CA 3.23Å; W119-R128 HydrophobicContact CE3-CB 4.27Å; W119-R128 PolarHBondContact O-N 2.7Å; W119-P130 HydrophobicContact CD2-CG 4.29Å; W119-P130 HydrophobicContact CE3-CB 4.33Å; W119-P130 HydrophobicContact CE3-CG 3.96Å; W119-P130 HydrophobicContact CH2-CB 3.59Å; W119-P130 HydrophobicContact CH2-CG 4.06Å; W119-P130 HydrophobicContact CZ2-CB 4.12Å; W119-P130 HydrophobicContact CZ2-CG 4.34Å; W119-P130 HydrophobicContact CZ3-CB 3.76Å; W119-P130 HydrophobicContact CZ3-CG 3.91Å
120	K	79	Confident	69	Low	70 Å²	70	68.5 Å²	68.5	30%	0.304	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-71.3	129.7	-178.9	-164.2	174.9	-174.9	172	0	110.6	D117 A118 K122 T124 Y127	D117-K120 WeakPolarHBondContact O-CB 3.43Å; D117-K120 PolarHBondContact O-N 3.21Å; D117-K120 WeakPolarHBondContact OD1-CD 3.2Å; D117-K120 IonicContact OD1-NZ 3.81Å; D117-K120 PolarHBondContact OD1-NZ 3.23Å; A118-K120 PolarHBondContact O-N 3.25Å; K120-K122 PolarHBondContact O-N 3.19Å; K120-T124 WeakPolarHBondContact CE-O 3.19Å; K120-T124 VanDerWaalsContact CG-O 3.23Å; K120-T124 WeakPolarHBondContact CG-O 3.34Å; K120-Y127 HydrophobicContact CB-CD1 4.19Å; K120-Y127 HydrophobicContact CB-CE1 4.02Å; K120-Y127 HydrophobicContact CG-CE1 4.44Å
121	Y	82.4	Confident	70.4	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-67.9	125	173.7	-175.9	-108.6	0	0	0	109.7	D123 T124 A126 T158 M188 G192 V193 R285 T287	Y121-D123 PolarHBondContact O-N 2.89Å; Y121-T124 WeakPolarHBondContact CB-OG1 2.98Å; Y121-T124 HydrophobicContact CD1-CG2 3.59Å; Y121-T124 HydrophobicContact CE1-CG2 4.15Å; Y121-T124 WeakPolarHBondContact O-CB 3.23Å; Y121-T124 PolarHBondContact O-N 3.27Å; Y121-T124 PolarHBondContact O-OG1 3.42Å; Y121-A126 PolarHBondContact N-O 2.67Å; Y121-T158 HydrophobicContact CE1-CG2 4.25Å; Y121-M188 HydrophobicContact CD2-CE 4.2Å; Y121-M188 HydrophobicContact CD2-CG 4.16Å; Y121-M188 HydrophobicContact CE2-CG 4.31Å; Y121-M188 HydrophobicContact CG-CE 3.89Å; Y121-G192 VanDerWaalsContact OH-CA 3.24Å; Y121-G192 WeakPolarHBondContact OH-CA 3.5Å; Y121-V193 HydrophobicContact CE1-CG1 4.13Å; Y121-V193 PolarHBondContact OH-N 3.18Å; Y121-V193 VanDerWaalsContact OH-N 3.12Å; Y121-R285 WeakPolarHBondContact CE2-O 3.43Å; Y121-R285 PolarHBondContact OH-O 2.81Å; Y121-T287 HydrophobicContact CE2-CG2 3.97Å
122	K	76.3	Confident	71.8	Confident	93 Å²	93	63.3 Å²	63.3	40%	0.404	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	132.4	-167.2	-176.6	168.6	-176.8	166.7	0	112.6	K120 T124 P284 R285	K120-K122 PolarHBondContact O-N 3.19Å; K122-T124 PolarHBondContact O-N 2.86Å; K122-P284 HydrophobicContact CB-CB 4.07Å; K122-P284 HydrophobicContact CD-CB 4.14Å; K122-R285 HydrophobicContact CD-CG 4.34Å
123	D	72	Confident	73	Confident	120 Å²	120	62 Å²	62	64%	0.642	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	23.2	-178.4	-45.9	-36.3	0	0	0	114.2	Y121 R285	Y121-D123 PolarHBondContact O-N 2.89Å; D123-R285 IonicContact OD2-CZ 2.91Å; D123-R285 VanDerWaalsContact OD2-CZ 3.25Å; D123-R285 IonicContact OD2-NH1 2.96Å; D123-R285 PolarHBondContact OD2-NH1 2.69Å; D123-R285 IonicContact OD2-NH2 3.59Å; D123-R285 PolarHBondContact OD2-NH2 3.32Å
124	T	76.3	Confident	74.5	Confident	16 Å²	16	60.7 Å²	60.7	10%	0.098	31%	0.313	C	S	.	.	S	Bend	trans	-136.5	168.9	178.1	80.3	0	0	0	0	112.5	K120 Y121 K122 A126 T158	K120-T124 WeakPolarHBondContact CE-O 3.19Å; K120-T124 VanDerWaalsContact CG-O 3.23Å; K120-T124 WeakPolarHBondContact CG-O 3.34Å; Y121-T124 WeakPolarHBondContact CB-OG1 2.98Å; Y121-T124 HydrophobicContact CD1-CG2 3.59Å; Y121-T124 HydrophobicContact CE1-CG2 4.15Å; Y121-T124 WeakPolarHBondContact O-CB 3.23Å; Y121-T124 PolarHBondContact O-N 3.27Å; Y121-T124 PolarHBondContact O-OG1 3.42Å; K122-T124 PolarHBondContact O-N 2.86Å; T124-A126 PolarHBondContact OG1-N 2.79Å; T124-T158 HydrophobicContact CG2-CG2 3.92Å
125	T	75.3	Confident	76.1	Confident	129 Å²	129	57.9 Å²	57.9	79%	0.791	30%	0.298	S	S	*	.	S	Bend	trans	-93	6.5	172	62.5	0	0	0	0	113
126	A	78.5	Confident	77.6	Confident	14 Å²	14	57.3 Å²	57.3	12%	0.116	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-92.8	144.6	-178	0	0	0	0	0	110.9	Y121 T124 C160 M188	Y121-A126 PolarHBondContact N-O 2.67Å; T124-A126 PolarHBondContact OG1-N 2.79Å; A126-C160 HydrophobicContact CB-CB 3.45Å; A126-C160 VanDerWaalsContact CB-CB 3.45Å; A126-C160 WeakPolarHBondContact CB-SG 3.08Å; A126-M188 HydrophobicContact CB-CE 4.36Å
127	Y	82.1	Confident	79	Confident	82 Å²	82	56.7 Å²	56.7	32%	0.322	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-102	142.8	175.6	-65.3	-87.9	0	0	0	110.3	L115 W119 K120 P148	L115-Y127 HydrophobicContact CB-CD1 4.05Å; L115-Y127 HydrophobicContact CB-CE1 4.19Å; L115-Y127 HydrophobicContact CD1-CD1 4.35Å; L115-Y127 HydrophobicContact CD1-CG 4.13Å; W119-Y127 HydrophobicContact CB-CD1 4.01Å; W119-Y127 WeakPolarHBondContact O-CA 3.23Å; K120-Y127 HydrophobicContact CB-CD1 4.19Å; K120-Y127 HydrophobicContact CB-CE1 4.02Å; K120-Y127 HydrophobicContact CG-CE1 4.44Å; Y127-P148 WeakPolarHBondContact O-CG 3.09Å
128	R	86.3	Confident	80.2	Confident	7 Å²	7	52.9 Å²	52.9	3%	0.026	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-67.6	145.2	169.1	-65.3	176.6	175.7	-84.4	-1.1	109.2	W119 P130 T186 G187 M188 P284 N286	W119-R128 HydrophobicContact CE3-CB 4.27Å; W119-R128 PolarHBondContact O-N 2.7Å; R128-P130 WeakPolarHBondContact O-CD 3.25Å; R128-T186 PolarHBondContact NH1-O 3.37Å; R128-G187 CarbonylContact C-O 3.57Å; R128-G187 WeakPolarHBondContact CA-O 3.45Å; R128-M188 HydrophobicContact CG-CB 4.4Å; R128-M188 HydrophobicContact CG-CE 4.05Å; R128-P284 VanDerWaalsContact NH2-C 3.34Å; R128-P284 PolarHBondContact NH2-O 3.23Å; R128-N286 VanDerWaalsContact CZ-O 3.23Å; R128-N286 PolarHBondContact NH1-O 2.76Å; R128-N286 PolarHBondContact NH2-O 2.99Å
129	L	85.9	Confident	81.4	Confident	25 Å²	25	60.6 Å²	60.6	13%	0.131	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-67.2	124.5	167.4	-175.1	72	0	0	0	108.6	Y109 V131 Y145 P147 G187	Y109-L129 HydrophobicContact CD1-CD1 4.05Å; Y109-L129 HydrophobicContact CE1-CD1 3.38Å; Y109-L129 HydrophobicContact CE1-CG 4.12Å; L129-V131 WeakPolarHBondContact O-CG2 3.38Å; L129-V131 PolarHBondContact O-N 3.45Å; L129-Y145 HydrophobicContact CD2-CD2 3.64Å; L129-Y145 HydrophobicContact CD2-CE2 3.8Å; L129-P147 HydrophobicContact CB-CB 4.01Å; L129-P147 HydrophobicContact CD2-CB 4.34Å; L129-G187 PolarHBondContact N-O 3.16Å; L129-G187 VanDerWaalsContact O-CA 3.28Å; L129-G187 WeakPolarHBondContact O-CA 3.18Å
130	P	83	Confident	82.1	Confident	10 Å²	10	60 Å²	60	7%	0.065	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-56.9	121.3	172.2	-26.7	37.6	0	0	0	112.9	F107 P110 L115 W119 R128	F107-P130 HydrophobicContact CE1-CB 4.44Å; F107-P130 HydrophobicContact CZ-CB 4.06Å; P110-P130 HydrophobicContact CG-CG 4.28Å; L115-P130 HydrophobicContact CD2-CG 4.13Å; W119-P130 HydrophobicContact CD2-CG 4.29Å; W119-P130 HydrophobicContact CE3-CB 4.33Å; W119-P130 HydrophobicContact CE3-CG 3.96Å; W119-P130 HydrophobicContact CH2-CB 3.59Å; W119-P130 HydrophobicContact CH2-CG 4.06Å; W119-P130 HydrophobicContact CZ2-CB 4.12Å; W119-P130 HydrophobicContact CZ2-CG 4.34Å; W119-P130 HydrophobicContact CZ3-CB 3.76Å; W119-P130 HydrophobicContact CZ3-CG 3.91Å; R128-P130 WeakPolarHBondContact O-CD 3.25Å
131	V	83.4	Confident	82.1	Confident	24 Å²	24	64 Å²	64	15%	0.145	32%	0.318	C	S	.	.			trans	-110.6	105.6	178.5	-167.6	0	0	0	0	107.9	L129 V136 Y145 R185	L129-V131 WeakPolarHBondContact O-CG2 3.38Å; L129-V131 PolarHBondContact O-N 3.45Å; V131-V136 HydrophobicContact CB-CG2 4.35Å; V131-V136 HydrophobicContact CG1-CG2 3.91Å; V131-Y145 HydrophobicContact CG2-CE2 3.65Å; V131-R185 HydrophobicContact CG1-CB 4.02Å; V131-R185 HydrophobicContact CG2-CB 4.44Å
132	P	81.6	Confident	82.1	Confident	30 Å²	30	65.2 Å²	65.2	20%	0.195	32%	0.324	C	S	.	.			trans	-57.4	143.1	171.7	-23.5	33.2	0	0	0	110.3	F107 K134 Y135 V136	F107-P132 HydrophobicContact CD2-CG 4.26Å; F107-P132 HydrophobicContact CE2-CG 4.27Å; F107-P132 HydrophobicContact CG-CG 4.41Å; F107-P132 HydrophobicContact CZ-CG 4.41Å; P132-K134 VanDerWaalsContact C-N 3.27Å; P132-K134 HydrophobicContact CB-CG 4.38Å; P132-K134 PolarHBondContact O-N 2.92Å; P132-K134 VanDerWaalsContact O-N 3.14Å; P132-Y135 HydrophobicContact CB-CD2 3.97Å; P132-Y135 HydrophobicContact CG-CD2 4Å; P132-Y135 WeakPolarHBondContact O-CA 3.33Å; P132-Y135 WeakPolarHBondContact O-CB 3.42Å; P132-Y135 PolarHBondContact O-N 2.72Å; P132-V136 PolarHBondContact O-N 2.94Å
133	E	74.6	Confident	81.9	Confident	70 Å²	70	67.7 Å²	67.7	33%	0.327	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-46.1	-46	-178.1	162.5	173.8	-145.9	0	0	114	Y135 V136 P137 F378 K402	E133-Y135 PolarHBondContact O-N 3Å; E133-V136 PolarHBondContact O-N 3.21Å; E133-P137 WeakPolarHBondContact O-CD 3.47Å; E133-F378 HydrophobicContact CB-CD1 4.39Å; E133-F378 HydrophobicContact CB-CE1 4.03Å; E133-F378 HydrophobicContact CG-CD1 4.41Å; E133-F378 HydrophobicContact CG-CE1 3.6Å; E133-F378 HydrophobicContact CG-CZ 4.47Å; E133-F378 WeakPolarHBondContact OE1-CE1 3.12Å; E133-F378 WeakPolarHBondContact OE1-CZ 3.46Å; E133-K402 WeakPolarHBondContact OE2-CD 3.5Å; E133-K402 WeakPolarHBondContact OE2-CE 3.46Å; E133-K402 IonicContact OE2-NZ 2.81Å; E133-K402 PolarHBondContact OE2-NZ 2.76Å
134	K	84.6	Confident	81.9	Confident	132 Å²	132	64.9 Å²	64.9	57%	0.574	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-56.2	-24.1	177.9	61.6	163.9	162.4	162.8	0	113.6	P132 V140	P132-K134 VanDerWaalsContact C-N 3.27Å; P132-K134 HydrophobicContact CB-CG 4.38Å; P132-K134 PolarHBondContact O-N 2.92Å; P132-K134 VanDerWaalsContact O-N 3.14Å; K134-V140 VanDerWaalsContact O-CB 3.27Å; K134-V140 WeakPolarHBondContact O-CB 3.5Å; K134-V140 WeakPolarHBondContact O-CG1 3.44Å; K134-V140 VanDerWaalsContact O-CG2 3.28Å; K134-V140 WeakPolarHBondContact O-CG2 3.34Å
135	Y	87.2	Confident	82.3	Confident	58 Å²	58	64.7 Å²	64.7	23%	0.227	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-104.7	-0.5	-178.6	-61.4	-57.6	0	0	0	113.5	P132 E133 V140 E141 M142 R185	P132-Y135 HydrophobicContact CB-CD2 3.97Å; P132-Y135 HydrophobicContact CG-CD2 4Å; P132-Y135 WeakPolarHBondContact O-CA 3.33Å; P132-Y135 WeakPolarHBondContact O-CB 3.42Å; P132-Y135 PolarHBondContact O-N 2.72Å; E133-Y135 PolarHBondContact O-N 3Å; Y135-V140 HydrophobicContact CD1-CB 4.49Å; Y135-V140 HydrophobicContact CD1-CG1 3.71Å; Y135-V140 HydrophobicContact CE1-CG1 3.97Å; Y135-E141 VanDerWaalsContact CD1-O 3.29Å; Y135-E141 WeakPolarHBondContact CD1-O 3.25Å; Y135-E141 WeakPolarHBondContact CE1-O 3.42Å; Y135-M142 HydrophobicContact CD1-CB 3.69Å; Y135-M142 HydrophobicContact CD1-CG 4.11Å; Y135-M142 HydrophobicContact CD2-CG 4.1Å; Y135-M142 HydrophobicContact CD2-SD 4.04Å; Y135-M142 HydrophobicContact CE1-CB 4.28Å; Y135-M142 HydrophobicContact CG-CB 3.87Å; Y135-M142 HydrophobicContact CG-CG 3.89Å; Y135-M142 HydrophobicContact CG-SD 3.93Å; Y135-R185 WeakPolarHBondContact O-CD 3.42Å; Y135-R185 PolarHBondContact O-NH1 2.67Å
136	V	86	Confident	82.5	Confident	17 Å²	17	60.3 Å²	60.3	10%	0.103	31%	0.309	C	S	.	.	S	Bend	trans	-62.7	-48.7	176.2	174.2	0	0	0	0	111.1	V131 P132 E133 W138 G184 R185	V131-V136 HydrophobicContact CB-CG2 4.35Å; V131-V136 HydrophobicContact CG1-CG2 3.91Å; P132-V136 PolarHBondContact O-N 2.94Å; E133-V136 PolarHBondContact O-N 3.21Å; V136-W138 PolarHBondContact O-N 2.76Å; V136-G184 CarbonylContact O-C 3.53Å; V136-G184 WeakPolarHBondContact O-CA 3.08Å; V136-R185 PolarHBondContact O-N 3.35Å
137	P	89.1	Confident	82.9	Confident	61 Å²	61	59.6 Å²	59.6	40%	0.396	30%	0.304	S	S	.	.	S	Bend	trans	-66.2	133.7	177.8	-19.4	33	0	0	0	111.9	E133 K139 V140 R185	E133-P137 WeakPolarHBondContact O-CD 3.47Å; P137-K139 PolarHBondContact O-N 3.28Å; P137-V140 PolarHBondContact O-N 3.5Å; P137-R185 PolarHBondContact O-NH1 3.34Å
138	W	87.8	Confident	83	Confident	38 Å²	38	57 Å²	57	14%	0.144	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-22.6	177.2	-69.5	107.8	0	0	0	114	V136 V140 P175 R180 H181 G184 R185 D288	V136-W138 PolarHBondContact O-N 2.76Å; W138-V140 VanDerWaalsContact C-N 3.26Å; W138-V140 PolarHBondContact O-N 3.41Å; W138-P175 HydrophobicContact CH2-CG 4.04Å; W138-R180 HydrophobicContact CD2-CB 4.44Å; W138-R180 HydrophobicContact CD2-CG 4.22Å; W138-R180 HydrophobicContact CH2-CG 4.48Å; W138-R180 HydrophobicContact CZ2-CB 4.18Å; W138-R180 HydrophobicContact CZ2-CG 4.11Å; W138-H181 PolarHBondContact NE1-O 2.68Å; W138-G184 PolarHBondContact NE1-O 3.48Å; W138-R185 HydrophobicContact CD2-CG 4.06Å; W138-R185 HydrophobicContact CE3-CG 3.78Å; W138-R185 HydrophobicContact CH2-CG 3.69Å; W138-R185 HydrophobicContact CZ2-CG 3.97Å; W138-R185 HydrophobicContact CZ3-CG 3.6Å; W138-D288 HydrophobicContact CH2-CB 4.14Å; W138-D288 HydrophobicContact CZ2-CB 4.16Å
139	K	86	Confident	83	Confident	202 Å²	202	60.5 Å²	60.5	88%	0.878	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-23.9	178.3	-64.9	-177.3	179.9	179.6	0	113.7	P137	P137-K139 PolarHBondContact O-N 3.28Å
140	V	85.8	Confident	83	Confident	61 Å²	61	59.3 Å²	59.3	37%	0.37	31%	0.307	S	S	.	.	S	Bend	trans	-96.3	124.9	177.4	-171.5	0	0	0	0	108.3	K134 Y135 P137 W138 R185	K134-V140 VanDerWaalsContact O-CB 3.27Å; K134-V140 WeakPolarHBondContact O-CB 3.5Å; K134-V140 WeakPolarHBondContact O-CG1 3.44Å; K134-V140 VanDerWaalsContact O-CG2 3.28Å; K134-V140 WeakPolarHBondContact O-CG2 3.34Å; Y135-V140 HydrophobicContact CD1-CB 4.49Å; Y135-V140 HydrophobicContact CD1-CG1 3.71Å; Y135-V140 HydrophobicContact CE1-CG1 3.97Å; P137-V140 PolarHBondContact O-N 3.5Å; W138-V140 VanDerWaalsContact C-N 3.26Å; W138-V140 PolarHBondContact O-N 3.41Å; V140-R185 VanDerWaalsContact O-CZ 3.25Å; V140-R185 PolarHBondContact O-NH1 3.38Å; V140-R185 PolarHBondContact O-NH2 2.79Å
141	E	80.1	Confident	83	Confident	156 Å²	156	60.6 Å²	60.6	73%	0.729	32%	0.315	S	S	*	.			trans	-73.1	141.1	176.3	-64.4	-159.5	150.2	0	0	111.1	Y135	Y135-E141 VanDerWaalsContact CD1-O 3.29Å; Y135-E141 WeakPolarHBondContact CD1-O 3.25Å; Y135-E141 WeakPolarHBondContact CE1-O 3.42Å
142	M	82.3	Confident	82.6	Confident	24 Å²	24	63.6 Å²	63.6	12%	0.118	32%	0.323	C	S	.	.			trans	-131.1	94.9	176.6	-178.6	-179.5	176.8	0	0	107.7	Y135 A144 Y145	Y135-M142 HydrophobicContact CD1-CB 3.69Å; Y135-M142 HydrophobicContact CD1-CG 4.11Å; Y135-M142 HydrophobicContact CD2-CG 4.1Å; Y135-M142 HydrophobicContact CD2-SD 4.04Å; Y135-M142 HydrophobicContact CE1-CB 4.28Å; Y135-M142 HydrophobicContact CG-CB 3.87Å; Y135-M142 HydrophobicContact CG-CG 3.89Å; Y135-M142 HydrophobicContact CG-SD 3.93Å; M142-A144 PolarHBondContact O-N 3.42Å; M142-Y145 HydrophobicContact CE-CD2 4.25Å; M142-Y145 WeakPolarHBondContact O-CB 3.33Å; M142-Y145 PolarHBondContact O-N 2.84Å; M142-Y145 HydrophobicContact SD-CD2 3.54Å; M142-Y145 VanDerWaalsContact SD-CD2 3.54Å; M142-Y145 HydrophobicContact SD-CE2 4.47Å; M142-Y145 HydrophobicContact SD-CG 4.13Å
143	D	71.9	Confident	82.1	Confident	146 Å²	146	67.6 Å²	67.6	78%	0.781	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-22.3	-169.4	-62.4	-17.3	0	0	0	114.6
144	A	72.8	Confident	81.5	Confident	60 Å²	60	72.5 Å²	72.5	50%	0.496	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	21.2	-179.1	0	0	0	0	0	113.9	Y109 M142 A146	Y109-A144 PolarHBondContact OH-O 3.15Å; M142-A144 PolarHBondContact O-N 3.42Å; A144-A146 PolarHBondContact O-N 3.27Å
145	Y	83.5	Confident	80	Confident	13 Å²	13	74.9 Å²	74.9	5%	0.051	36%	0.364	C	S	.	.			trans	-76	88.6	-177.2	-169.5	-113.9	0	0	0	113.3	L129 V131 M142 P147 R185 G187 D288	L129-Y145 HydrophobicContact CD2-CD2 3.64Å; L129-Y145 HydrophobicContact CD2-CE2 3.8Å; V131-Y145 HydrophobicContact CG2-CE2 3.65Å; M142-Y145 HydrophobicContact CE-CD2 4.25Å; M142-Y145 WeakPolarHBondContact O-CB 3.33Å; M142-Y145 PolarHBondContact O-N 2.84Å; M142-Y145 HydrophobicContact SD-CD2 3.54Å; M142-Y145 VanDerWaalsContact SD-CD2 3.54Å; M142-Y145 HydrophobicContact SD-CE2 4.47Å; M142-Y145 HydrophobicContact SD-CG 4.13Å; Y145-P147 VanDerWaalsContact C-CD 3.45Å; Y145-P147 HydrophobicContact CD1-CG 4.23Å; Y145-P147 HydrophobicContact CE1-CG 3.64Å; Y145-P147 HydrophobicContact CE2-CB 4.48Å; Y145-P147 HydrophobicContact CE2-CG 4.3Å; Y145-P147 WeakPolarHBondContact O-CD 3.28Å; Y145-R185 HydrophobicContact CD1-CG 4.29Å; Y145-R185 HydrophobicContact CE1-CB 4.15Å; Y145-R185 HydrophobicContact CE1-CG 3.72Å; Y145-R185 HydrophobicContact CE2-CB 4.18Å; Y145-R185 HydrophobicContact CE2-CG 4.41Å; Y145-R185 WeakPolarHBondContact OH-CB 3.49Å; Y145-G187 VanDerWaalsContact OH-CA 3.26Å; Y145-G187 WeakPolarHBondContact OH-CA 3.5Å; Y145-G187 PolarHBondContact OH-N 3.27Å; Y145-D288 WeakPolarHBondContact CE1-OD2 3.2Å; Y145-D288 PolarHBondContact OH-OD1 2.85Å; Y145-D288 PolarHBondContact OH-OD2 3.41Å; Y145-D288 VanDerWaalsContact OH-OD2 3.08Å
146	A	79.7	Confident	78.5	Confident	36 Å²	36	77.5 Å²	77.5	30%	0.298	38%	0.377	S	S	.	.			trans	-120.9	67.3	-179.8	0	0	0	0	0	112.7	A144 V168	A144-A146 PolarHBondContact O-N 3.27Å; A146-V168 HydrophobicContact CB-CG1 4.37Å; A146-V168 HydrophobicContact CB-CG2 4.18Å
147	P	87.1	Confident	77.7	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	39%	0.386	C	S	.	.			trans	-67.3	150.8	-179.7	31	-38.3	0	0	0	112.1	L129 Y145 G187 R189	L129-P147 HydrophobicContact CB-CB 4.01Å; L129-P147 HydrophobicContact CD2-CB 4.34Å; Y145-P147 VanDerWaalsContact C-CD 3.45Å; Y145-P147 HydrophobicContact CD1-CG 4.23Å; Y145-P147 HydrophobicContact CE1-CG 3.64Å; Y145-P147 HydrophobicContact CE2-CB 4.48Å; Y145-P147 HydrophobicContact CE2-CG 4.3Å; Y145-P147 WeakPolarHBondContact O-CD 3.28Å; P147-G187 VanDerWaalsContact CB-C 3.4Å; P147-G187 WeakPolarHBondContact CB-O 3.41Å; P147-R189 HydrophobicContact CG-CB 4.35Å; P147-R189 HydrophobicContact CG-CG 3.64Å
148	P	84.1	Confident	76.8	Confident	26 Å²	26	76.6 Å²	76.6	17%	0.169	38%	0.376	C	S	.	.			trans	-62.1	147.1	175.9	17.6	-21.3	0	0	0	111.7	Y127 M188 R189	Y127-P148 WeakPolarHBondContact O-CG 3.09Å; P148-M188 HydrophobicContact CB-SD 4.13Å; P148-M188 HydrophobicContact CG-CE 3.97Å; P148-M188 HydrophobicContact CG-SD 3.7Å; P148-R189 PolarHBondContact O-N 3.31Å
149	E	86.4	Confident	76.3	Confident	82 Å²	82	80 Å²	80	38%	0.383	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	111.7	178.6	-172.1	-176.7	178.5	0	0	110.3	C160 T161 R189	E149-C160 CarbonylContact O-C 2.87Å; E149-C160 VanDerWaalsContact O-CA 3.25Å; E149-C160 WeakPolarHBondContact O-CA 3.38Å; E149-T161 PolarHBondContact N-O 3.15Å; E149-T161 VanDerWaalsContact N-O 3.16Å; E149-T161 PolarHBondContact O-N 3.14Å; E149-T161 PolarHBondContact O-OG1 2.96Å; E149-R189 CarbonylContact C-O 3.53Å; E149-R189 HydrophobicContact CB-CB 4.4Å; E149-R189 HydrophobicContact CG-CB 4.46Å
150	C	86.7	Confident	76.1	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.8	178.5	-68.8	0	0	0	0	112.3	T158 R159 C160 M188 R189 G190 R191 G192	C150-T158 HydrophobicContact CB-CG2 3.83Å; C150-R159 WeakPolarHBondContact CA-O 3.25Å; C150-C160 HydrophobicContact CB-CB 4.1Å; C150-C160 WeakPolarHBondContact CB-SG 3.22Å; C150-C160 WeakPolarHBondContact SG-CB 3.47Å; C150-C160 CovalentContact SG-SG 2.02Å; C150-C160 PolarHBondContact SG-SG 3.19Å; C150-M188 HydrophobicContact CB-CG 4.33Å; C150-M188 HydrophobicContact CB-SD 4.13Å; C150-M188 PolarHBondContact SG-SD 2.98Å; C150-R189 PolarHBondContact N-O 2.79Å; C150-G190 CarbonylContact O-C 3.59Å; C150-G190 VanDerWaalsContact O-C 3.3Å; C150-G190 WeakPolarHBondContact O-CA 3.08Å; C150-R191 PolarHBondContact O-N 2.85Å; C150-G192 PolarHBondContact O-N 2.89Å
151	T	82.1	Confident	75.3	Confident	36 Å²	36	72.8 Å²	72.8	22%	0.221	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	127.7	173.2	-61.4	0	0	0	0	110.5	Y153 R159	T151-Y153 HydrophobicContact CG2-CE2 3.99Å; T151-Y153 VanDerWaalsContact O-CD2 3.25Å; T151-Y153 WeakPolarHBondContact O-CD2 3.14Å; T151-Y153 WeakPolarHBondContact O-CE2 3.37Å; T151-R159 PolarHBondContact N-O 2.79Å; T151-R159 PolarHBondContact O-N 3.41Å
152	W	76	Confident	74.4	Confident	88 Å²	88	74.8 Å²	74.8	33%	0.333	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	137.4	172.8	-177.4	89.2	0	0	0	113.2	E154 R191 G192	W152-E154 VanDerWaalsContact CH2-CA 3.42Å; W152-E154 HydrophobicContact CH2-CB 3.52Å; W152-E154 HydrophobicContact CH2-CG 3.69Å; W152-E154 HydrophobicContact CZ2-CB 4.18Å; W152-E154 HydrophobicContact CZ2-CG 4.32Å; W152-E154 HydrophobicContact CZ3-CB 3.85Å; W152-E154 HydrophobicContact CZ3-CG 4.42Å; W152-R191 PolarHBondContact O-NH2 3.32Å; W152-G192 WeakPolarHBondContact CB-O 3Å; W152-G192 PolarHBondContact N-O 3.14Å
153	Y	70.4	Confident	73	Confident	113 Å²	113	75.2 Å²	75.2	44%	0.443	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.9	172.5	-62.6	-92.5	0	0	0	108.9	T151 R155 F156 G157 R159	T151-Y153 HydrophobicContact CG2-CE2 3.99Å; T151-Y153 VanDerWaalsContact O-CD2 3.25Å; T151-Y153 WeakPolarHBondContact O-CD2 3.14Å; T151-Y153 WeakPolarHBondContact O-CE2 3.37Å; Y153-R155 PolarHBondContact O-N 2.87Å; Y153-R155 VanDerWaalsContact O-N 3.15Å; Y153-F156 HydrophobicContact CG-CD2 4.41Å; Y153-F156 PolarHBondContact O-N 3.22Å; Y153-G157 PolarHBondContact N-O 3.12Å; Y153-G157 WeakPolarHBondContact O-CA 3.46Å; Y153-G157 PolarHBondContact O-N 2.94Å; Y153-R159 HydrophobicContact CD2-CB 4.11Å; Y153-R159 HydrophobicContact CD2-CG 4.07Å; Y153-R159 HydrophobicContact CE2-CB 3.94Å; Y153-R159 HydrophobicContact CE2-CG 4.28Å
154	E	62.4	Low	71.7	Confident	174 Å²	174	70.2 Å²	70.2	81%	0.813	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-36.6	-175.8	-167.2	164.3	-151.6	0	0	113.5	W152	W152-E154 VanDerWaalsContact CH2-CA 3.42Å; W152-E154 HydrophobicContact CH2-CB 3.52Å; W152-E154 HydrophobicContact CH2-CG 3.69Å; W152-E154 HydrophobicContact CZ2-CB 4.18Å; W152-E154 HydrophobicContact CZ2-CG 4.32Å; W152-E154 HydrophobicContact CZ3-CB 3.85Å; W152-E154 HydrophobicContact CZ3-CG 4.42Å
155	R	53.7	Low	70.4	Confident	182 Å²	182	73.1 Å²	73.1	69%	0.687	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-20.5	179.3	-156.8	179	-152.9	-179.3	8.4	114.8	Y153	Y153-R155 PolarHBondContact O-N 2.87Å; Y153-R155 VanDerWaalsContact O-N 3.15Å
156	F	54.9	Low	68.6	Low	113 Å²	113	79.3 Å²	79.3	50%	0.496	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-0.3	-168.5	-54.1	-67.2	0	0	0	114.3	Y153	Y153-F156 HydrophobicContact CG-CD2 4.41Å; Y153-F156 PolarHBondContact O-N 3.22Å
157	G	69.5	Low	67	Low	30 Å²	30	81.1 Å²	81.1	31%	0.309	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	67.6	-160.9	-169.4	0	0	0	0	0	112.5	Y153 R159	Y153-G157 PolarHBondContact N-O 3.12Å; Y153-G157 WeakPolarHBondContact O-CA 3.46Å; Y153-G157 PolarHBondContact O-N 2.94Å; G157-R159 PolarHBondContact O-N 2.75Å
158	T	70.6	Confident	64.9	Low	28 Å²	28	83.1 Å²	83.1	17%	0.172	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	119.3	178.2	-51.1	0	0	0	0	110.9	Y121 T124 C150 V193	Y121-T158 HydrophobicContact CE1-CG2 4.25Å; T124-T158 HydrophobicContact CG2-CG2 3.92Å; C150-T158 HydrophobicContact CB-CG2 3.83Å; T158-V193 WeakPolarHBondContact OG1-CG1 3.43Å
159	R	77.5	Confident	63	Low	110 Å²	110	89.3 Å²	89.3	42%	0.415	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	126.5	170.6	-68.5	-170.1	174.1	-171.5	2.3	109.7	C150 T151 Y153 G157	C150-R159 WeakPolarHBondContact CA-O 3.25Å; T151-R159 PolarHBondContact N-O 2.79Å; T151-R159 PolarHBondContact O-N 3.41Å; Y153-R159 HydrophobicContact CD2-CB 4.11Å; Y153-R159 HydrophobicContact CD2-CG 4.07Å; Y153-R159 HydrophobicContact CE2-CB 3.94Å; Y153-R159 HydrophobicContact CE2-CG 4.28Å; G157-R159 PolarHBondContact O-N 2.75Å
160	C	80	Confident	60.9	Low	39 Å²	39	88.6 Å²	88.6	26%	0.264	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	118.8	176.3	-53.3	0	0	0	0	108.9	A126 E149 C150	A126-C160 HydrophobicContact CB-CB 3.45Å; A126-C160 VanDerWaalsContact CB-CB 3.45Å; A126-C160 WeakPolarHBondContact CB-SG 3.08Å; E149-C160 CarbonylContact O-C 2.87Å; E149-C160 VanDerWaalsContact O-CA 3.25Å; E149-C160 WeakPolarHBondContact O-CA 3.38Å; C150-C160 HydrophobicContact CB-CB 4.1Å; C150-C160 WeakPolarHBondContact CB-SG 3.22Å; C150-C160 WeakPolarHBondContact SG-CB 3.47Å; C150-C160 CovalentContact SG-SG 2.02Å; C150-C160 PolarHBondContact SG-SG 3.19Å
161	T	70.9	Confident	59	Low	73 Å²	73	89.4 Å²	89.4	45%	0.448	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	127.4	175.5	41.1	0	0	0	0	109.3	E149 L163	E149-T161 PolarHBondContact N-O 3.15Å; E149-T161 VanDerWaalsContact N-O 3.16Å; E149-T161 PolarHBondContact O-N 3.14Å; E149-T161 PolarHBondContact O-OG1 2.96Å; T161-L163 PolarHBondContact O-N 2.98Å
162	K	60.2	Low	57.4	Low	198 Å²	198	92.5 Å²	92.5	86%	0.861	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-69.5	122.4	164.3	-156.6	175.2	-175.2	179.7	0	106.5	S164	K162-S164 PolarHBondContact O-N 3.17Å
163	L	53.9	Low	56.5	Low	32 Å²	32	95.7 Å²	95.7	17%	0.168	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-60.8	132.5	176.3	-69.3	160.5	0	0	0	108.6	T161 D167 V168 A171	T161-L163 PolarHBondContact O-N 2.98Å; L163-D167 HydrophobicContact CB-CB 4Å; L163-D167 HydrophobicContact CD2-CB 3.7Å; L163-D167 HydrophobicContact CG-CB 4.48Å; L163-V168 HydrophobicContact CB-CG2 4.03Å; L163-A171 HydrophobicContact CD1-CB 3.7Å; L163-A171 HydrophobicContact CD2-CB 4.08Å
164	S	44.4	Very low	56.2	Low	42 Å²	42	92.7 Å²	92.7	29%	0.294	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-67.2	163	167.7	82.3	0	0	0	0	110	K162 E166 D167 V168	K162-S164 PolarHBondContact O-N 3.17Å; S164-E166 WeakPolarHBondContact CB-OE2 3.1Å; S164-E166 PolarHBondContact O-N 2.9Å; S164-E166 PolarHBondContact OG-N 3.08Å; S164-E166 PolarHBondContact OG-OE2 3.38Å; S164-D167 PolarHBondContact N-OD2 2.86Å; S164-D167 CarbonylContact O-C 3.57Å; S164-D167 WeakPolarHBondContact O-CA 3.1Å; S164-D167 WeakPolarHBondContact O-CB 3.22Å; S164-D167 PolarHBondContact O-N 2.83Å; S164-D167 PolarHBondContact OG-N 3.1Å; S164-D167 VanDerWaalsContact OG-N 3.14Å; S164-D167 PolarHBondContact OG-OD2 2.8Å; S164-V168 WeakPolarHBondContact O-CG2 3.31Å; S164-V168 PolarHBondContact O-N 3.42Å
165	V	44.4	Very low	56.5	Low	120 Å²	120	84.7 Å²	84.7	73%	0.727	44%	0.44	S	S	*	.	H	α-helix	trans	-58.5	-31.7	176.9	179.1	0	0	0	0	111.6	V168	V165-V168 WeakPolarHBondContact O-CB 3.08Å; V165-V168 PolarHBondContact O-N 2.76Å
166	E	45	Very low	57.7	Low	143 Å²	143	79.7 Å²	79.7	67%	0.668	43%	0.431	S	S	*	.	H	α-helix	trans	-72.5	-38.9	172.5	-51.8	99	179.4	0	0	112.1	S164 V168 Q169 A170	S164-E166 WeakPolarHBondContact CB-OE2 3.1Å; S164-E166 PolarHBondContact O-N 2.9Å; S164-E166 PolarHBondContact OG-N 3.08Å; S164-E166 PolarHBondContact OG-OE2 3.38Å; E166-V168 PolarHBondContact O-N 3.39Å; E166-Q169 PolarHBondContact O-N 2.96Å; E166-A170 PolarHBondContact O-N 3.24Å
167	D	46.2	Very low	58.9	Low	74 Å²	74	82.1 Å²	82.1	40%	0.396	44%	0.444	S	S	.	.	H	α-helix	trans	-65.2	-28.9	173.4	-64.5	-35.2	0	0	0	111.5	L163 S164 Q169 A170 A171	L163-D167 HydrophobicContact CB-CB 4Å; L163-D167 HydrophobicContact CD2-CB 3.7Å; L163-D167 HydrophobicContact CG-CB 4.48Å; S164-D167 PolarHBondContact N-OD2 2.86Å; S164-D167 CarbonylContact O-C 3.57Å; S164-D167 WeakPolarHBondContact O-CA 3.1Å; S164-D167 WeakPolarHBondContact O-CB 3.22Å; S164-D167 PolarHBondContact O-N 2.83Å; S164-D167 PolarHBondContact OG-N 3.1Å; S164-D167 VanDerWaalsContact OG-N 3.14Å; S164-D167 PolarHBondContact OG-OD2 2.8Å; D167-Q169 VanDerWaalsContact C-N 3.34Å; D167-Q169 PolarHBondContact O-N 2.87Å; D167-A170 CarbonylContact O-C 3.5Å; D167-A170 PolarHBondContact O-N 3.35Å; D167-A171 WeakPolarHBondContact O-CA 3.01Å; D167-A171 WeakPolarHBondContact O-CB 2.8Å; D167-A171 PolarHBondContact O-N 2.97Å
168	V	43.4	Very low	59.6	Low	42 Å²	42	86.6 Å²	86.6	26%	0.255	46%	0.461	S	S	.	.	H	α-helix	trans	-63.6	-37.6	175.5	170.7	0	0	0	0	111.3	A146 L163 S164 V165 E166 A171 N172	A146-V168 HydrophobicContact CB-CG1 4.37Å; A146-V168 HydrophobicContact CB-CG2 4.18Å; L163-V168 HydrophobicContact CB-CG2 4.03Å; S164-V168 WeakPolarHBondContact O-CG2 3.31Å; S164-V168 PolarHBondContact O-N 3.42Å; V165-V168 WeakPolarHBondContact O-CB 3.08Å; V165-V168 PolarHBondContact O-N 2.76Å; E166-V168 PolarHBondContact O-N 3.39Å; V168-A171 CarbonylContact O-C 3.57Å; V168-A171 PolarHBondContact O-N 2.83Å; V168-N172 PolarHBondContact O-N 2.79Å; V168-N172 PolarHBondContact O-OD1 3.17Å
169	Q	43.8	Very low	60.3	Low	156 Å²	156	87.3 Å²	87.3	73%	0.729	46%	0.463	S	S	*	.	H	α-helix	trans	-69.3	-34	175.9	-69.6	-178.8	-10.3	0	0	112.3	E166 D167	E166-Q169 PolarHBondContact O-N 2.96Å; D167-Q169 VanDerWaalsContact C-N 3.34Å; D167-Q169 PolarHBondContact O-N 2.87Å
170	A	42.2	Very low	60.9	Low	68 Å²	68	85.5 Å²	85.5	56%	0.562	46%	0.456	S	S	*	.	H	α-helix	trans	-76.2	-32.2	172.1	0	0	0	0	0	112.6	E166 D167	E166-A170 PolarHBondContact O-N 3.24Å; D167-A170 CarbonylContact O-C 3.5Å; D167-A170 PolarHBondContact O-N 3.35Å
171	A	46.7	Very low	61.3	Low	17 Å²	17	83.7 Å²	83.7	14%	0.14	44%	0.444	C	S	.	.	H	α-helix	trans	-85	-8.1	179.8	0	0	0	0	0	113.8	L163 D167 V168 Q173 R189	L163-A171 HydrophobicContact CD1-CB 3.7Å; L163-A171 HydrophobicContact CD2-CB 4.08Å; D167-A171 WeakPolarHBondContact O-CA 3.01Å; D167-A171 WeakPolarHBondContact O-CB 2.8Å; D167-A171 PolarHBondContact O-N 2.97Å; V168-A171 CarbonylContact O-C 3.57Å; V168-A171 PolarHBondContact O-N 2.83Å; A171-Q173 CarbonylContact O-C 3.53Å; A171-Q173 PolarHBondContact O-N 3.37Å; A171-R189 PolarHBondContact O-NH1 2.72Å; A171-R189 PolarHBondContact O-NH2 2.76Å
172	N	50.3	Low	62	Low	100 Å²	100	88.1 Å²	88.1	54%	0.535	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-10.6	166.6	-88.1	-3.6	0	0	0	112.6	V168 S174	V168-N172 PolarHBondContact O-N 2.79Å; V168-N172 PolarHBondContact O-OD1 3.17Å; N172-S174 PolarHBondContact O-N 2.85Å; N172-S174 VanDerWaalsContact O-N 3.17Å
173	Q	55.9	Low	63.1	Low	155 Å²	155	82 Å²	82	72%	0.724	43%	0.434	S	S	*	.	S	Bend	trans	-68.8	109	161.8	-62.5	-176	5.7	0	0	109.1	A171 R189	A171-Q173 CarbonylContact O-C 3.53Å; A171-Q173 PolarHBondContact O-N 3.37Å; Q173-R189 PolarHBondContact O-NH1 3.41Å; Q173-R189 PolarHBondContact O-NH2 3.47Å
174	S	64.7	Low	64.8	Low	50 Å²	50	80.5 Å²	80.5	35%	0.35	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-51.4	147.7	164.2	-72.5	0	0	0	0	109.4	N172	N172-S174 PolarHBondContact O-N 2.85Å; N172-S174 VanDerWaalsContact O-N 3.17Å
175	P	69.1	Low	67	Low	7 Å²	7	79.1 Å²	79.1	5%	0.045	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-48.5	149.2	174.4	-26.8	34.4	0	0	0	111.8	W138 E177 R180 D288 N289	W138-P175 HydrophobicContact CH2-CG 4.04Å; P175-E177 PolarHBondContact O-N 3.44Å; P175-R180 HydrophobicContact CB-CG 3.91Å; P175-R180 HydrophobicContact CG-CG 4.45Å; P175-R180 PolarHBondContact O-NE 2.72Å; P175-R180 PolarHBondContact O-NH2 2.66Å; P175-D288 HydrophobicContact CG-CB 4.32Å; P175-N289 WeakPolarHBondContact CB-ND2 3.23Å; P175-N289 VanDerWaalsContact CG-ND2 3.3Å; P175-N289 WeakPolarHBondContact CG-ND2 3.33Å
176	P	77.4	Confident	69.2	Low	76 Å²	76	73.8 Å²	73.8	49%	0.494	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-46.8	138.7	165.6	-27.5	36.5	0	0	0	110.2	D178 L179 R180	P176-D178 WeakPolarHBondContact CB-OD1 3.24Å; P176-D178 PolarHBondContact O-N 3.2Å; P176-D178 VanDerWaalsContact O-N 3.17Å; P176-L179 HydrophobicContact CB-CB 4.45Å; P176-L179 HydrophobicContact CG-CD1 4.35Å; P176-L179 CarbonylContact O-C 3.41Å; P176-L179 WeakPolarHBondContact O-CA 3.14Å; P176-L179 PolarHBondContact O-N 3.39Å; P176-R180 PolarHBondContact O-N 3.33Å
177	E	81.7	Confident	71.3	Confident	164 Å²	164	67 Å²	67	77%	0.766	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-57	-34.1	-171.4	-170.5	175.3	-178.8	0	0	112.8	P175 L179 R180	P175-E177 PolarHBondContact O-N 3.44Å; E177-L179 VanDerWaalsContact C-N 3.26Å; E177-L179 PolarHBondContact O-N 3.43Å; E177-R180 PolarHBondContact O-N 2.65Å
178	D	82.7	Confident	73.4	Confident	125 Å²	125	63.5 Å²	63.5	67%	0.668	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-68.4	-21.8	175	63.4	-52.9	0	0	0	114	P176	P176-D178 WeakPolarHBondContact CB-OD1 3.24Å; P176-D178 PolarHBondContact O-N 3.2Å; P176-D178 VanDerWaalsContact O-N 3.17Å
179	L	86.3	Confident	75.6	Confident	43 Å²	43	62.7 Å²	62.7	23%	0.225	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-106.6	11.6	177.3	-63.4	-178.7	0	0	0	112.6	P176 E177 L197 N289	P176-L179 HydrophobicContact CB-CB 4.45Å; P176-L179 HydrophobicContact CG-CD1 4.35Å; P176-L179 CarbonylContact O-C 3.41Å; P176-L179 WeakPolarHBondContact O-CA 3.14Å; P176-L179 PolarHBondContact O-N 3.39Å; E177-L179 VanDerWaalsContact C-N 3.26Å; E177-L179 PolarHBondContact O-N 3.43Å; L179-L197 HydrophobicContact CD1-CD1 4.38Å; L179-L197 HydrophobicContact CD2-CB 4.18Å; L179-N289 WeakPolarHBondContact O-CA 3.4Å
180	R	89.3	Confident	77.7	Confident	71 Å²	71	55.6 Å²	55.6	27%	0.268	29%	0.293	S	S	.	.	S	Bend	trans	-83	132.9	170.9	-71.1	178.5	-166.8	-178.2	4.5	109.7	W138 P175 P176 E177 K182 D288	W138-R180 HydrophobicContact CD2-CB 4.44Å; W138-R180 HydrophobicContact CD2-CG 4.22Å; W138-R180 HydrophobicContact CH2-CG 4.48Å; W138-R180 HydrophobicContact CZ2-CB 4.18Å; W138-R180 HydrophobicContact CZ2-CG 4.11Å; P175-R180 HydrophobicContact CB-CG 3.91Å; P175-R180 HydrophobicContact CG-CG 4.45Å; P175-R180 PolarHBondContact O-NE 2.72Å; P175-R180 PolarHBondContact O-NH2 2.66Å; P176-R180 PolarHBondContact O-N 3.33Å; E177-R180 PolarHBondContact O-N 2.65Å; R180-K182 PolarHBondContact O-N 3.3Å; R180-K182 VanDerWaalsContact O-N 3.16Å; R180-D288 CarbonylContact C-O 3.46Å
181	H	89.3	Confident	80	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	28%	0.279	C	S	.	.			trans	-56.3	121.1	166.3	-169.5	-66.1	0	0	0	109.3	W138 D183 G184 T186 W282 N286 D288 W291	W138-H181 PolarHBondContact NE1-O 2.68Å; H181-D183 IonicContact CE1-OD2 2.85Å; H181-D183 PolarHBondContact CE1-OD2 2.71Å; H181-D183 PolarHBondContact ND1-N 2.65Å; H181-D183 IonicContact ND1-OD2 2.65Å; H181-D183 PolarHBondContact O-N 3.45Å; H181-G184 WeakPolarHBondContact CB-O 3.45Å; H181-G184 PolarHBondContact O-N 2.72Å; H181-T186 HydrophobicContact CB-CG2 4.17Å; H181-W282 AromaticContact CE1-CE3 3.48Å; H181-W282 VanDerWaalsContact CE1-CE3 3.48Å; H181-W282 AromaticContact CE1-CZ3 3.5Å; H181-W282 AromaticContact ND1-CZ3 3.81Å; H181-N286 PolarHBondContact NE2-ND2 3.03Å; H181-D288 PolarHBondContact N-O 2.8Å; H181-W291 HydrophobicContact CB-CE3 4.27Å; H181-W291 VanDerWaalsContact CD2-CB 3.47Å; H181-W291 WeakPolarHBondContact CD2-CB 3.36Å
182	K	85.5	Confident	82	Confident	167 Å²	167	54.9 Å²	54.9	73%	0.726	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-34.6	-170.4	-66.8	-176.4	178.2	-178.7	0	113.1	R180 G184	R180-K182 PolarHBondContact O-N 3.3Å; R180-K182 VanDerWaalsContact O-N 3.16Å; K182-G184 VanDerWaalsContact C-N 3.29Å; K182-G184 PolarHBondContact O-N 2.72Å
183	D	83.1	Confident	83.6	Confident	68 Å²	68	51.5 Å²	51.5	36%	0.364	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-1.8	-178	-46.5	-35.7	0	0	0	113.7	H181 N280 W282	H181-D183 IonicContact CE1-OD2 2.85Å; H181-D183 PolarHBondContact CE1-OD2 2.71Å; H181-D183 PolarHBondContact ND1-N 2.65Å; H181-D183 IonicContact ND1-OD2 2.65Å; H181-D183 PolarHBondContact O-N 3.45Å; D183-N280 VanDerWaalsContact CG-ND2 3.31Å; D183-N280 PolarHBondContact OD1-ND2 2.85Å; D183-N280 VanDerWaalsContact OD1-ND2 3.13Å; D183-N280 PolarHBondContact OD2-ND2 2.92Å; D183-W282 HydrophobicContact CB-CE3 3.97Å; D183-W282 HydrophobicContact CB-CZ3 3.79Å
184	G	89.4	Confident	85.1	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.01	22%	0.222	C	C	.	.			trans	124.8	-170.1	174.7	0	0	0	0	0	115.8	V136 W138 H181 K182	V136-G184 CarbonylContact O-C 3.53Å; V136-G184 WeakPolarHBondContact O-CA 3.08Å; W138-G184 PolarHBondContact NE1-O 3.48Å; H181-G184 WeakPolarHBondContact CB-O 3.45Å; H181-G184 PolarHBondContact O-N 2.72Å; K182-G184 VanDerWaalsContact C-N 3.29Å; K182-G184 PolarHBondContact O-N 2.72Å
185	R	90.9	Very high	85.9	Confident	13 Å²	13	48.5 Å²	48.5	5%	0.049	23%	0.23	C	C	.	.			trans	-69.5	131.8	176.5	-71.8	-178.5	-171.7	90.4	-0.6	110.5	V131 Y135 V136 P137 W138 V140 Y145	V131-R185 HydrophobicContact CG1-CB 4.02Å; V131-R185 HydrophobicContact CG2-CB 4.44Å; Y135-R185 WeakPolarHBondContact O-CD 3.42Å; Y135-R185 PolarHBondContact O-NH1 2.67Å; V136-R185 PolarHBondContact O-N 3.35Å; P137-R185 PolarHBondContact O-NH1 3.34Å; W138-R185 HydrophobicContact CD2-CG 4.06Å; W138-R185 HydrophobicContact CE3-CG 3.78Å; W138-R185 HydrophobicContact CH2-CG 3.69Å; W138-R185 HydrophobicContact CZ2-CG 3.97Å; W138-R185 HydrophobicContact CZ3-CG 3.6Å; V140-R185 VanDerWaalsContact O-CZ 3.25Å; V140-R185 PolarHBondContact O-NH1 3.38Å; V140-R185 PolarHBondContact O-NH2 2.79Å; Y145-R185 HydrophobicContact CD1-CG 4.29Å; Y145-R185 HydrophobicContact CE1-CB 4.15Å; Y145-R185 HydrophobicContact CE1-CG 3.72Å; Y145-R185 HydrophobicContact CE2-CB 4.18Å; Y145-R185 HydrophobicContact CE2-CG 4.41Å; Y145-R185 WeakPolarHBondContact OH-CB 3.49Å
186	T	90.4	Very high	86.8	Confident	9 Å²	9	54.1 Å²	54.1	6%	0.055	25%	0.254	C	S	.	.			trans	-105.4	-7.7	-175.7	70.4	0	0	0	0	113.6	R128 H181 M188 W282 T287 D288	R128-T186 PolarHBondContact NH1-O 3.37Å; H181-T186 HydrophobicContact CB-CG2 4.17Å; T186-M188 VanDerWaalsContact C-N 3.31Å; T186-M188 PolarHBondContact OG1-N 3.06Å; T186-M188 PolarHBondContact OG1-O 2.79Å; T186-W282 HydrophobicContact CG2-CH2 3.9Å; T186-W282 HydrophobicContact CG2-CZ2 4.37Å; T186-W282 HydrophobicContact CG2-CZ3 4.39Å; T186-T287 VanDerWaalsContact OG1-CA 3.25Å; T186-T287 WeakPolarHBondContact OG1-CA 3.37Å; T186-D288 WeakPolarHBondContact CA-OD1 3.27Å; T186-D288 WeakPolarHBondContact CB-OD1 3.26Å; T186-D288 PolarHBondContact N-OD1 2.86Å; T186-D288 PolarHBondContact OG1-N 2.78Å; T186-D288 PolarHBondContact OG1-OD1 2.72Å
187	G	89.8	Confident	87.3	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	79.5	13	-175.7	0	0	0	0	0	113.5	R128 L129 Y145 P147	R128-G187 CarbonylContact C-O 3.57Å; R128-G187 WeakPolarHBondContact CA-O 3.45Å; L129-G187 PolarHBondContact N-O 3.16Å; L129-G187 VanDerWaalsContact O-CA 3.28Å; L129-G187 WeakPolarHBondContact O-CA 3.18Å; Y145-G187 VanDerWaalsContact OH-CA 3.26Å; Y145-G187 WeakPolarHBondContact OH-CA 3.5Å; Y145-G187 PolarHBondContact OH-N 3.27Å; P147-G187 VanDerWaalsContact CB-C 3.4Å; P147-G187 WeakPolarHBondContact CB-O 3.41Å
188	M	90.4	Very high	87.8	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.219	C	C	.	.			trans	-146.9	132.6	-178.6	-168.3	59.8	80.4	0	0	110.8	Y121 A126 R128 P148 C150 T186 T287 D288	Y121-M188 HydrophobicContact CD2-CE 4.2Å; Y121-M188 HydrophobicContact CD2-CG 4.16Å; Y121-M188 HydrophobicContact CE2-CG 4.31Å; Y121-M188 HydrophobicContact CG-CE 3.89Å; A126-M188 HydrophobicContact CB-CE 4.36Å; R128-M188 HydrophobicContact CG-CB 4.4Å; R128-M188 HydrophobicContact CG-CE 4.05Å; P148-M188 HydrophobicContact CB-SD 4.13Å; P148-M188 HydrophobicContact CG-CE 3.97Å; P148-M188 HydrophobicContact CG-SD 3.7Å; C150-M188 HydrophobicContact CB-CG 4.33Å; C150-M188 HydrophobicContact CB-SD 4.13Å; C150-M188 PolarHBondContact SG-SD 2.98Å; T186-M188 VanDerWaalsContact C-N 3.31Å; T186-M188 PolarHBondContact OG1-N 3.06Å; T186-M188 PolarHBondContact OG1-O 2.79Å; M188-T287 HydrophobicContact CB-CG2 4.17Å; M188-T287 HydrophobicContact CG-CG2 3.81Å; M188-T287 CarbonylContact O-C 3.51Å; M188-T287 WeakPolarHBondContact O-CA 3.38Å; M188-T287 VanDerWaalsContact O-CB 3.32Å; M188-T287 WeakPolarHBondContact O-CB 3.43Å; M188-D288 WeakPolarHBondContact O-CB 3.49Å; M188-D288 PolarHBondContact O-N 3.45Å
189	R	89.6	Confident	88.1	Confident	26 Å²	26	41.8 Å²	41.8	10%	0.098	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	168.7	175.9	-86	178.4	-179.2	-162.9	5.1	112.5	P147 P148 E149 C150 A171 Q173 D288 N289	P147-R189 HydrophobicContact CG-CB 4.35Å; P147-R189 HydrophobicContact CG-CG 3.64Å; P148-R189 PolarHBondContact O-N 3.31Å; E149-R189 CarbonylContact C-O 3.53Å; E149-R189 HydrophobicContact CB-CB 4.4Å; E149-R189 HydrophobicContact CG-CB 4.46Å; C150-R189 PolarHBondContact N-O 2.79Å; A171-R189 PolarHBondContact O-NH1 2.72Å; A171-R189 PolarHBondContact O-NH2 2.76Å; Q173-R189 PolarHBondContact O-NH1 3.41Å; Q173-R189 PolarHBondContact O-NH2 3.47Å; R189-D288 HydrophobicContact CG-CB 4.1Å; R189-D288 WeakPolarHBondContact CG-OD2 3.45Å; R189-N289 WeakPolarHBondContact CA-OD1 3.23Å
190	G	88.1	Confident	88.3	Confident	6 Å²	6	40.2 Å²	40.2	6%	0.062	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82.9	-174.2	179.2	0	0	0	0	0	113.2	C150 G192 T287 N289	C150-G190 CarbonylContact O-C 3.59Å; C150-G190 VanDerWaalsContact O-C 3.3Å; C150-G190 WeakPolarHBondContact O-CA 3.08Å; G190-G192 VanDerWaalsContact C-N 3.27Å; G190-G192 PolarHBondContact O-N 3.3Å; G190-T287 WeakPolarHBondContact O-CB 3.48Å; G190-T287 PolarHBondContact O-OG1 2.81Å; G190-N289 PolarHBondContact N-OD1 2.87Å
191	R	88.7	Confident	88.2	Confident	71 Å²	71	38.2 Å²	38.2	27%	0.268	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	-22.7	-176.6	-174.9	174.6	68.9	179.9	-7.8	113.4	C150 W152 N194 R195 L197	C150-R191 PolarHBondContact O-N 2.85Å; W152-R191 PolarHBondContact O-NH2 3.32Å; R191-N194 WeakPolarHBondContact CD-O 3.26Å; R191-N194 HydrophobicContact CG-CB 4.47Å; R191-N194 WeakPolarHBondContact CG-O 3.4Å; R191-N194 PolarHBondContact NE-O 3.35Å; R191-N194 WeakPolarHBondContact O-CB 3.39Å; R191-N194 PolarHBondContact O-N 3.44Å; R191-R195 WeakPolarHBondContact CD-O 3.46Å; R191-R195 PolarHBondContact NH1-O 3.38Å; R191-L197 HydrophobicContact CB-CD2 3.82Å; R191-L197 HydrophobicContact CG-CD2 4.48Å
192	G	88.9	Confident	88.1	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.2	-142.4	-172	0	0	0	0	0	111.4	Y121 C150 W152 G190 N194	Y121-G192 VanDerWaalsContact OH-CA 3.24Å; Y121-G192 WeakPolarHBondContact OH-CA 3.5Å; C150-G192 PolarHBondContact O-N 2.89Å; W152-G192 WeakPolarHBondContact CB-O 3Å; W152-G192 PolarHBondContact N-O 3.14Å; G190-G192 VanDerWaalsContact C-N 3.27Å; G190-G192 PolarHBondContact O-N 3.3Å; G192-N194 VanDerWaalsContact C-N 3.28Å; G192-N194 PolarHBondContact O-N 2.84Å
193	V	84.8	Confident	88.1	Confident	29 Å²	29	33.6 Å²	33.6	18%	0.176	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-5.3	175.7	-66.9	0	0	0	0	114.2	Y121 T158 R285	Y121-V193 HydrophobicContact CE1-CG1 4.13Å; Y121-V193 PolarHBondContact OH-N 3.18Å; Y121-V193 VanDerWaalsContact OH-N 3.12Å; T158-V193 WeakPolarHBondContact OG1-CG1 3.43Å; V193-R285 HydrophobicContact CG2-CB 3.65Å; V193-R285 HydrophobicContact CG2-CG 3.63Å
194	N	86.7	Confident	88	Confident	8 Å²	8	33 Å²	33	4%	0.043	16%	0.16	C	C	.	.	S	Bend	trans	-75.9	161.2	-176.3	-71.6	-52.4	0	0	0	112.3	R191 G192 N200 R285 A290	R191-N194 WeakPolarHBondContact CD-O 3.26Å; R191-N194 HydrophobicContact CG-CB 4.47Å; R191-N194 WeakPolarHBondContact CG-O 3.4Å; R191-N194 PolarHBondContact NE-O 3.35Å; R191-N194 WeakPolarHBondContact O-CB 3.39Å; R191-N194 PolarHBondContact O-N 3.44Å; G192-N194 VanDerWaalsContact C-N 3.28Å; G192-N194 PolarHBondContact O-N 2.84Å; N194-N200 HydrophobicContact CB-CB 4.46Å; N194-R285 PolarHBondContact ND2-O 3.09Å; N194-A290 HydrophobicContact CB-CB 4.1Å
195	R	81.6	Confident	87.6	Confident	134 Å²	134	33.1 Å²	33.1	51%	0.506	16%	0.161	S	C	.	.	S	Bend	trans	-76.5	-34.5	-178.2	-72.7	-170.7	-179.8	173.4	8.1	113	R191 N200 A238 D239	R191-R195 WeakPolarHBondContact CD-O 3.46Å; R191-R195 PolarHBondContact NH1-O 3.38Å; R195-N200 PolarHBondContact N-OD1 2.85Å; R195-A238 VanDerWaalsContact NH1-CB 3.28Å; R195-D239 IonicContact CZ-OD1 3.33Å; R195-D239 VanDerWaalsContact CZ-OD1 3.24Å; R195-D239 IonicContact CZ-OD2 2.67Å; R195-D239 IonicContact NH1-OD1 2.77Å; R195-D239 PolarHBondContact NH1-OD1 3.18Å; R195-D239 IonicContact NH1-OD2 2.84Å; R195-D239 IonicContact NH2-OD1 3.54Å; R195-D239 PolarHBondContact NH2-OD1 3.11Å; R195-D239 IonicContact NH2-OD2 2.78Å; R195-D239 PolarHBondContact NH2-OD2 3.39Å
196	K	87.3	Confident	87.2	Confident	125 Å²	125	34.8 Å²	34.8	54%	0.543	17%	0.17	S	C	.	.	S	Bend	trans	-137.8	162.7	179	60.6	176.7	-172.2	174.4	0	111.9	G199 N200	K196-G199 WeakPolarHBondContact CE-O 3.37Å; K196-G199 PolarHBondContact NZ-O 3.07Å; K196-N200 WeakPolarHBondContact CG-OD1 3.45Å; K196-N200 PolarHBondContact N-OD1 2.91Å; K196-N200 VanDerWaalsContact N-OD1 3.1Å; K196-N200 PolarHBondContact O-ND2 3.01Å; K196-N200 PolarHBondContact O-OD1 3.2Å
197	L	89	Confident	86.8	Confident	83 Å²	83	34.5 Å²	34.5	44%	0.435	17%	0.168	S	C	.	.	S	Bend	trans	-67.6	156	165.3	-59.5	172.6	0	0	0	109.7	L179 R191 N289	L179-L197 HydrophobicContact CD1-CD1 4.38Å; L179-L197 HydrophobicContact CD2-CB 4.18Å; R191-L197 HydrophobicContact CB-CD2 3.82Å; R191-L197 HydrophobicContact CG-CD2 4.48Å; L197-N289 CarbonylContact C-O 3.51Å; L197-N289 WeakPolarHBondContact CA-O 3.27Å; L197-N289 HydrophobicContact CD2-CB 3.8Å
198	G	91.1	Very high	86.5	Confident	9 Å²	9	36.2 Å²	36.2	9%	0.093	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.7	-153.5	-173.1	0	0	0	0	0	113.5	N200 N289 A290 W291	G198-N200 PolarHBondContact O-ND2 3.43Å; G198-N289 PolarHBondContact N-O 2.74Å; G198-A290 WeakPolarHBondContact O-CA 3.47Å; G198-W291 PolarHBondContact O-N 2.77Å
199	G	89.5	Confident	86.1	Confident	14 Å²	14	39.4 Å²	39.4	14%	0.144	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	126.1	-178.6	0	0	0	0	0	114	K196 D293	K196-G199 WeakPolarHBondContact CE-O 3.37Å; K196-G199 PolarHBondContact NZ-O 3.07Å; G199-D293 WeakPolarHBondContact CA-OD2 3.49Å
200	N	90.8	Very high	85.7	Confident	9 Å²	9	43.1 Å²	43.1	5%	0.048	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	101.5	178.7	-69.9	-99.9	0	0	0	109.6	N194 R195 K196 G198 H202 W291 D293	N194-N200 HydrophobicContact CB-CB 4.46Å; R195-N200 PolarHBondContact N-OD1 2.85Å; K196-N200 WeakPolarHBondContact CG-OD1 3.45Å; K196-N200 PolarHBondContact N-OD1 2.91Å; K196-N200 VanDerWaalsContact N-OD1 3.1Å; K196-N200 PolarHBondContact O-ND2 3.01Å; K196-N200 PolarHBondContact O-OD1 3.2Å; G198-N200 PolarHBondContact O-ND2 3.43Å; N200-H202 PolarHBondContact O-N 2.73Å; N200-H202 PolarHBondContact O-ND1 3.34Å; N200-W291 WeakPolarHBondContact CB-O 3.5Å; N200-W291 PolarHBondContact N-O 2.87Å; N200-W291 PolarHBondContact ND2-O 2.74Å; N200-D293 PolarHBondContact O-N 2.88Å
201	A	88.3	Confident	85.1	Confident	30 Å²	30	44.3 Å²	44.3	25%	0.248	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	129.2	-177.3	0	0	0	0	0	112.6	A237 D293 Y295	A201-A237 HydrophobicContact CB-CB 3.63Å; A201-A237 WeakPolarHBondContact O-CB 3.43Å; A201-A237 PolarHBondContact O-N 2.99Å; A201-D293 CarbonylContact C-O 3.54Å; A201-D293 WeakPolarHBondContact CA-O 3.18Å; A201-Y295 HydrophobicContact CB-CD2 4.09Å; A201-Y295 HydrophobicContact CB-CE2 3.67Å
202	H	87.2	Confident	84.6	Confident	37 Å²	37	50.9 Å²	50.9	17%	0.171	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.9	172	-67.7	74.7	0	0	0	109.7	N200 L234 F235 M292 D293 L294 Y295	N200-H202 PolarHBondContact O-N 2.73Å; N200-H202 PolarHBondContact O-ND1 3.34Å; H202-L234 HydrophobicContact CB-CD1 4.08Å; H202-F235 CarbonylContact C-O 3.58Å; H202-F235 WeakPolarHBondContact CA-O 3.38Å; H202-F235 WeakPolarHBondContact CB-O 3.03Å; H202-M292 HydrophobicContact CB-CE 3.51Å; H202-M292 HydrophobicContact CB-CG 4.48Å; H202-D293 PolarHBondContact N-O 2.78Å; H202-L294 HydrophobicContact CB-CD1 4.49Å; H202-Y295 PolarHBondContact O-N 2.89Å
203	H	83.8	Confident	84.1	Confident	33 Å²	33	58.8 Å²	58.8	15%	0.153	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.4	177.4	-63.2	-90.2	0	0	0	110.5	L205 L234 F235 A237 F270 Y295 H297	H203-L205 HydrophobicContact CB-CD2 4.23Å; H203-L234 WeakPolarHBondContact O-CA 3.28Å; H203-F235 PolarHBondContact N-O 2.68Å; H203-F235 PolarHBondContact O-N 2.88Å; H203-A237 WeakPolarHBondContact NE2-CB 3.25Å; H203-F270 HydrophobicContact CB-CE1 4.43Å; H203-F270 HydrophobicContact CB-CZ 4.23Å; H203-F270 AromaticContact CG-CZ 3.89Å; H203-F270 AromaticContact ND1-CE1 3.69Å; H203-F270 AromaticContact ND1-CZ 3.81Å; H203-Y295 CarbonylContact C-O 3.6Å; H203-Y295 VanDerWaalsContact CA-O 3.27Å; H203-Y295 WeakPolarHBondContact CA-O 3.44Å; H203-H297 AromaticContact CE1-NE2 3.85Å; H203-H297 AromaticContact ND1-CD2 3.6Å; H203-H297 AromaticContact ND1-NE2 3.17Å; H203-H297 PolarHBondContact ND1-NE2 3.02Å; H203-H297 VanDerWaalsContact ND1-NE2 3.17Å
204	H	82	Confident	83.9	Confident	57 Å²	57	59.5 Å²	59.5	26%	0.264	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	117.1	173.5	-177.9	-157.9	0	0	0	108.3	L232 P233 L234 L294 Y295 S296 H297	H204-L232 WeakPolarHBondContact NE2-CB 3.42Å; H204-L232 WeakPolarHBondContact NE2-CD1 2.93Å; H204-P233 WeakPolarHBondContact CA-O 2.92Å; H204-L234 HydrophobicContact CB-CD1 4.04Å; H204-L294 HydrophobicContact CB-CD1 3.86Å; H204-L294 HydrophobicContact CB-CG 4.48Å; H204-Y295 PolarHBondContact N-O 3Å; H204-S296 CarbonylContact O-C 3.47Å; H204-S296 WeakPolarHBondContact O-CA 3.46Å; H204-H297 PolarHBondContact O-N 2.96Å
205	L	79.9	Confident	83.5	Confident	3 Å²	3	63 Å²	63	2%	0.016	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.5	-171.2	-55	-175.8	0	0	0	110.7	H203 V207 P233 F235 P241 F270 H297 I299	H203-L205 HydrophobicContact CB-CD2 4.23Å; L205-V207 HydrophobicContact CB-CG2 4Å; L205-P233 HydrophobicContact CB-CB 4.47Å; L205-P233 PolarHBondContact N-O 2.91Å; L205-P233 WeakPolarHBondContact O-CD 3.36Å; L205-F235 HydrophobicContact CD1-CD2 4.08Å; L205-F235 HydrophobicContact CD1-CE2 3.91Å; L205-F235 HydrophobicContact CG-CD2 4.3Å; L205-F235 HydrophobicContact CG-CE2 4.33Å; L205-P241 HydrophobicContact CD1-CB 3.65Å; L205-P241 HydrophobicContact CD1-CG 4Å; L205-F270 HydrophobicContact CD2-CE1 3.83Å; L205-F270 HydrophobicContact CD2-CZ 4.24Å; L205-H297 HydrophobicContact CD2-CB 3.87Å; L205-I299 HydrophobicContact CD1-CD1 4.25Å; L205-I299 HydrophobicContact CD2-CD1 4.33Å
206	L	82.7	Confident	83.5	Confident	47 Å²	47	62 Å²	62	25%	0.246	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	105	163.4	178.7	64.5	0	0	0	108.2	L208 V218 L232 H297 V298 I299	L206-L208 HydrophobicContact CD1-CD2 4.15Å; L206-L208 HydrophobicContact CD1-CG 4.49Å; L206-L208 HydrophobicContact CD2-CD1 4.36Å; L206-L208 HydrophobicContact CG-CD1 4.42Å; L206-L208 HydrophobicContact CG-CD2 4.37Å; L206-L208 HydrophobicContact CG-CG 4.18Å; L206-V218 HydrophobicContact CD1-CG2 3.8Å; L206-L232 HydrophobicContact CB-CD1 4.5Å; L206-L232 HydrophobicContact CD1-CD1 4.1Å; L206-L232 HydrophobicContact CD1-CD2 3.65Å; L206-H297 PolarHBondContact N-O 3.08Å; L206-V298 HydrophobicContact CB-CG2 4.15Å; L206-V298 HydrophobicContact CD2-CG1 4.28Å; L206-V298 HydrophobicContact CD2-CG2 3.99Å; L206-V298 HydrophobicContact CG-CG1 4.46Å; L206-V298 WeakPolarHBondContact O-CA 3.48Å; L206-I299 PolarHBondContact O-N 2.77Å
207	V	82.8	Confident	83.3	Confident	3 Å²	3	57 Å²	57	2%	0.018	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	117.2	-177.9	-167.5	0	0	0	0	109.3	L205 V218 L219 I299 L305 W318	L205-V207 HydrophobicContact CB-CG2 4Å; V207-V218 WeakPolarHBondContact O-CA 3.4Å; V207-L219 HydrophobicContact CB-CB 3.81Å; V207-L219 HydrophobicContact CB-CD2 4.34Å; V207-L219 HydrophobicContact CG1-CB 4.47Å; V207-L219 HydrophobicContact CG2-CB 4.39Å; V207-L219 HydrophobicContact CG2-CD2 4.19Å; V207-L219 PolarHBondContact O-N 2.86Å; V207-I299 WeakPolarHBondContact CA-O 3.43Å; V207-I299 HydrophobicContact CG1-CB 4.43Å; V207-I299 HydrophobicContact CG2-CD1 4.26Å; V207-L305 HydrophobicContact CG1-CD1 4.3Å; V207-L305 HydrophobicContact CG1-CD2 3.36Å; V207-L305 HydrophobicContact CG1-CG 4.48Å; V207-W318 HydrophobicContact CB-CH2 4.47Å; V207-W318 HydrophobicContact CG1-CH2 3.72Å; V207-W318 HydrophobicContact CG1-CZ3 4.26Å
208	L	83.3	Confident	83.1	Confident	36 Å²	36	53.1 Å²	53.1	19%	0.188	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.3	-176.4	-61.1	174.7	0	0	0	109.7	L206 Q217 V218 V298 I299 S300 L305 I321	L206-L208 HydrophobicContact CD1-CD2 4.15Å; L206-L208 HydrophobicContact CD1-CG 4.49Å; L206-L208 HydrophobicContact CD2-CD1 4.36Å; L206-L208 HydrophobicContact CG-CD1 4.42Å; L206-L208 HydrophobicContact CG-CD2 4.37Å; L206-L208 HydrophobicContact CG-CG 4.18Å; L208-Q217 WeakPolarHBondContact CA-O 3.18Å; L208-V218 HydrophobicContact CD2-CB 3.83Å; L208-V218 HydrophobicContact CD2-CG2 3.86Å; L208-V298 HydrophobicContact CD1-CG1 4.43Å; L208-I299 PolarHBondContact N-O 3.39Å; L208-S300 WeakPolarHBondContact O-CA 3.19Å; L208-L305 WeakPolarHBondContact O-CD1 3.27Å; L208-I321 HydrophobicContact CD2-CD1 4.4Å
209	R	82	Confident	82.7	Confident	68 Å²	68	53 Å²	53	26%	0.257	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	169.5	173.2	76.1	175	-177.5	-179.3	4	111.5	K216 Q217 L305 W318	R209-K216 CarbonylContact O-C 3.42Å; R209-K216 WeakPolarHBondContact O-CA 3.07Å; R209-Q217 HydrophobicContact CG-CB 4Å; R209-Q217 PolarHBondContact N-O 2.8Å; R209-Q217 PolarHBondContact O-N 2.86Å; R209-L305 HydrophobicContact CB-CB 4.31Å; R209-L305 HydrophobicContact CB-CD1 4.07Å; R209-W318 HydrophobicContact CB-CH2 4.01Å; R209-W318 HydrophobicContact CB-CZ3 3.98Å; R209-W318 HydrophobicContact CG-CD2 4.25Å; R209-W318 HydrophobicContact CG-CE3 3.74Å; R209-W318 HydrophobicContact CG-CH2 3.8Å; R209-W318 HydrophobicContact CG-CZ2 4.3Å; R209-W318 HydrophobicContact CG-CZ3 3.5Å; R209-W318 VanDerWaalsContact CZ-CE2 3.42Å; R209-W318 VanDerWaalsContact CZ-CG 3.49Å; R209-W318 VanDerWaalsContact CZ-NE1 3.29Å; R209-W318 VanDerWaalsContact NE-CD2 3.31Å; R209-W318 VanDerWaalsContact NH1-NE1 3.17Å
210	K	81.1	Confident	82.3	Confident	104 Å²	104	52.4 Å²	52.4	45%	0.452	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	146	161.7	-60.9	-172.8	-155.5	118.1	0	110	D215 E302	K210-D215 CarbonylContact C-O 3.43Å; K210-D215 VanDerWaalsContact CA-O 3.26Å; K210-D215 WeakPolarHBondContact CA-O 3.48Å; K210-E302 WeakPolarHBondContact CD-OE1 3.32Å; K210-E302 WeakPolarHBondContact CE-OE1 3.41Å; K210-E302 WeakPolarHBondContact CG-OE1 3.48Å; K210-E302 IonicContact NZ-OE1 2.71Å; K210-E302 PolarHBondContact NZ-OE1 3.15Å
211	T	76.8	Confident	81.8	Confident	30 Å²	30	56.9 Å²	56.9	18%	0.184	28%	0.279	C	S	.	.			trans	-72.9	168.4	166.1	65.4	0	0	0	0	109.9	Q213 G214 D215 Q217	T211-Q213 PolarHBondContact O-N 2.75Å; T211-Q213 VanDerWaalsContact O-N 3.17Å; T211-Q213 PolarHBondContact OG1-N 3.3Å; T211-G214 PolarHBondContact O-N 2.93Å; T211-G214 PolarHBondContact OG1-N 3.35Å; T211-D215 HydrophobicContact CG2-CB 4.04Å; T211-D215 PolarHBondContact N-O 2.93Å; T211-D215 WeakPolarHBondContact OG1-CB 3.01Å; T211-D215 PolarHBondContact OG1-N 2.97Å; T211-Q217 HydrophobicContact CG2-CG 3.65Å
212	E	76.9	Confident	81.4	Confident	210 Å²	210	58.6 Å²	58.6	98%	0.981	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.6	171.3	-65.2	178.9	-178.8	0	0	112.5	G214	E212-G214 VanDerWaalsContact C-N 3.32Å
213	Q	78.9	Confident	80.6	Confident	166 Å²	166	60 Å²	60	78%	0.776	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-5	176.5	-66.7	150.5	-15.5	0	0	113	T211	T211-Q213 PolarHBondContact O-N 2.75Å; T211-Q213 VanDerWaalsContact O-N 3.17Å; T211-Q213 PolarHBondContact OG1-N 3.3Å
214	G	79.6	Confident	80	Confident	43 Å²	43	58.5 Å²	58.5	44%	0.443	28%	0.28	S	S	.	.	S	Bend	trans	91.3	-1.4	-178.5	0	0	0	0	0	115	T211 E212	T211-G214 PolarHBondContact O-N 2.93Å; T211-G214 PolarHBondContact OG1-N 3.35Å; E212-G214 VanDerWaalsContact C-N 3.32Å
215	D	79.2	Confident	79.5	Confident	82 Å²	82	57.7 Å²	57.7	44%	0.439	28%	0.283	S	S	.	.			trans	-68	133.6	179	-58.3	-46.6	0	0	0	110.7	K210 T211	K210-D215 CarbonylContact C-O 3.43Å; K210-D215 VanDerWaalsContact CA-O 3.26Å; K210-D215 WeakPolarHBondContact CA-O 3.48Å; T211-D215 HydrophobicContact CG2-CB 4.04Å; T211-D215 PolarHBondContact N-O 2.93Å; T211-D215 WeakPolarHBondContact OG1-CB 3.01Å; T211-D215 PolarHBondContact OG1-N 2.97Å
216	K	81.2	Confident	78.9	Confident	113 Å²	113	61.8 Å²	61.8	49%	0.491	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	135.3	177.5	-62.2	174.2	-174.9	165.3	0	109.4	R209 I321	R209-K216 CarbonylContact O-C 3.42Å; R209-K216 WeakPolarHBondContact O-CA 3.07Å; K216-I321 HydrophobicContact CB-CB 4.3Å; K216-I321 HydrophobicContact CB-CD1 3.97Å; K216-I321 WeakPolarHBondContact O-CB 3.38Å; K216-I321 PolarHBondContact O-N 2.87Å
217	Q	84.2	Confident	78.1	Confident	20 Å²	20	63.2 Å²	63.2	9%	0.093	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	148.1	175	-57.4	-169.8	-46.2	0	0	110.7	L208 R209 T211 W318 L319 S320	L208-Q217 WeakPolarHBondContact CA-O 3.18Å; R209-Q217 HydrophobicContact CG-CB 4Å; R209-Q217 PolarHBondContact N-O 2.8Å; R209-Q217 PolarHBondContact O-N 2.86Å; T211-Q217 HydrophobicContact CG2-CG 3.65Å; Q217-W318 HydrophobicContact CB-CB 4.29Å; Q217-W318 HydrophobicContact CB-CE3 3.95Å; Q217-L319 CarbonylContact C-O 3.28Å; Q217-L319 VanDerWaalsContact CA-O 3.26Å; Q217-L319 WeakPolarHBondContact CA-O 3.39Å; Q217-S320 PolarHBondContact NE2-OG 2.92Å
218	V	83.3	Confident	77.2	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.006	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	137.7	173.8	58.7	0	0	0	0	110.3	L206 V207 L208 I220 F230 L232 L319 I321	L206-V218 HydrophobicContact CD1-CG2 3.8Å; V207-V218 WeakPolarHBondContact O-CA 3.4Å; L208-V218 HydrophobicContact CD2-CB 3.83Å; L208-V218 HydrophobicContact CD2-CG2 3.86Å; V218-I220 HydrophobicContact CG1-CG2 4.12Å; V218-I220 HydrophobicContact CG2-CG2 4.29Å; V218-F230 HydrophobicContact CG1-CE2 3.75Å; V218-F230 HydrophobicContact CG1-CZ 3.84Å; V218-F230 HydrophobicContact CG2-CZ 3.94Å; V218-L232 HydrophobicContact CG2-CD2 4.13Å; V218-L319 HydrophobicContact CG1-CB 4.19Å; V218-L319 PolarHBondContact N-O 2.89Å; V218-L319 PolarHBondContact O-N 3.12Å; V218-I321 HydrophobicContact CB-CD1 4.31Å; V218-I321 HydrophobicContact CG1-CD1 4.4Å; V218-I321 HydrophobicContact CG1-CG1 4.18Å
219	L	83.3	Confident	76.2	Confident	7 Å²	7	72.2 Å²	72.2	4%	0.037	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	120.7	175.3	-168.5	71.2	0	0	0	109.5	V207 P233 F316 W318	V207-L219 HydrophobicContact CB-CB 3.81Å; V207-L219 HydrophobicContact CB-CD2 4.34Å; V207-L219 HydrophobicContact CG1-CB 4.47Å; V207-L219 HydrophobicContact CG2-CB 4.39Å; V207-L219 HydrophobicContact CG2-CD2 4.19Å; V207-L219 PolarHBondContact O-N 2.86Å; L219-P233 HydrophobicContact CD2-CG 4.13Å; L219-P233 HydrophobicContact CG-CG 4.28Å; L219-P233 VanDerWaalsContact O-CD 3.29Å; L219-P233 WeakPolarHBondContact O-CD 3.48Å; L219-F316 HydrophobicContact CD1-CB 4Å; L219-F316 HydrophobicContact CG-CB 4.21Å; L219-W318 HydrophobicContact CB-CD2 4.46Å; L219-W318 HydrophobicContact CB-CE3 3.99Å; L219-W318 HydrophobicContact CB-CH2 4.08Å; L219-W318 HydrophobicContact CB-CZ3 3.78Å; L219-W318 HydrophobicContact CD1-CD2 3.9Å; L219-W318 HydrophobicContact CD1-CE3 4.29Å; L219-W318 HydrophobicContact CD1-CG 4.32Å; L219-W318 HydrophobicContact CD1-CH2 4.47Å; L219-W318 HydrophobicContact CD1-CZ2 4.08Å
220	I	82.2	Confident	75.4	Confident	1 Å²	1	71 Å²	71	1%	0.005	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	163.5	178.5	62.3	168.1	0	0	0	111.1	V218 R222 A225 F230 L232 F316 T317 L319	V218-I220 HydrophobicContact CG1-CG2 4.12Å; V218-I220 HydrophobicContact CG2-CG2 4.29Å; I220-R222 PolarHBondContact O-N 3.47Å; I220-A225 HydrophobicContact CD1-CB 3.55Å; I220-A225 HydrophobicContact CG1-CB 4.31Å; I220-F230 HydrophobicContact CG2-CD2 4.06Å; I220-F230 HydrophobicContact CG2-CE1 4.27Å; I220-F230 HydrophobicContact CG2-CE2 3.67Å; I220-F230 HydrophobicContact CG2-CZ 3.78Å; I220-L232 HydrophobicContact CG2-CD2 4.49Å; I220-F316 CarbonylContact O-C 3.48Å; I220-F316 VanDerWaalsContact O-CA 3.29Å; I220-F316 WeakPolarHBondContact O-CA 2.93Å; I220-T317 HydrophobicContact CG1-CG2 4.13Å; I220-T317 PolarHBondContact N-O 3Å; I220-T317 PolarHBondContact O-N 2.68Å; I220-L319 HydrophobicContact CD1-CB 3.68Å; I220-L319 HydrophobicContact CD1-CD2 3.72Å; I220-L319 HydrophobicContact CD1-CG 4.16Å; I220-L319 HydrophobicContact CG1-CB 3.97Å
221	R	79.4	Confident	75.1	Confident	104 Å²	104	69.6 Å²	69.6	39%	0.392	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	129.1	174.6	-154.6	174.9	-173.5	-158.6	-0.6	109.7	I223 A224 A225 I231 D315 F316	R221-I223 PolarHBondContact O-N 3.07Å; R221-A224 HydrophobicContact CB-CB 4.2Å; R221-A224 WeakPolarHBondContact O-CA 3.13Å; R221-A224 WeakPolarHBondContact O-CB 3.13Å; R221-A224 PolarHBondContact O-N 2.7Å; R221-A225 PolarHBondContact O-N 3.34Å; R221-A225 VanDerWaalsContact O-N 3.16Å; R221-I231 HydrophobicContact CB-CB 4.25Å; R221-I231 HydrophobicContact CB-CG2 4.4Å; R221-I231 PolarHBondContact N-O 3.21Å; R221-D315 CarbonylContact C-O 3.52Å; R221-D315 WeakPolarHBondContact CG-O 3.49Å; R221-F316 HydrophobicContact CB-CD1 4.27Å; R221-F316 HydrophobicContact CB-CE1 4.21Å; R221-F316 HydrophobicContact CG-CD1 4.4Å; R221-F316 HydrophobicContact CG-CE1 4.17Å
222	R	79.3	Confident	75.2	Confident	65 Å²	65	69.7 Å²	69.7	25%	0.245	36%	0.357	C	S	.	.	H	α-helix	trans	-56.6	-45.6	-174.8	-176.6	-174.7	-69.7	-97.5	-5.7	112.6	I220 A224 A225 E226 S314 D315 T317	I220-R222 PolarHBondContact O-N 3.47Å; R222-A224 PolarHBondContact O-N 2.69Å; R222-A225 WeakPolarHBondContact O-CB 3.08Å; R222-A225 PolarHBondContact O-N 2.74Å; R222-A225 VanDerWaalsContact O-N 3.13Å; R222-E226 WeakPolarHBondContact CG-OE1 3.45Å; R222-E226 WeakPolarHBondContact O-CG 3.41Å; R222-E226 PolarHBondContact O-N 2.83Å; R222-S314 PolarHBondContact NE-O 3.05Å; R222-D315 WeakPolarHBondContact CB-O 3.47Å; R222-D315 PolarHBondContact N-O 3.46Å; R222-T317 HydrophobicContact CB-CG2 4.42Å
223	I	71.3	Confident	75.4	Confident	68 Å²	68	59.8 Å²	59.8	35%	0.349	31%	0.31	S	S	.	.	H	α-helix	trans	-57.3	-37.1	175.9	-67.2	172.5	0	0	0	111.3	R221 E226 T227	R221-I223 PolarHBondContact O-N 3.07Å; I223-E226 PolarHBondContact O-N 3.49Å; I223-T227 HydrophobicContact CG2-CG2 4.44Å; I223-T227 WeakPolarHBondContact O-CG2 3Å; I223-T227 PolarHBondContact O-N 3.2Å; I223-T227 PolarHBondContact O-OG1 3.17Å
224	A	70.6	Confident	75.4	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-66.1	-48	179.1	0	0	0	0	0	110.2	R221 R222 E226 T227 G228 R229 I231	R221-A224 HydrophobicContact CB-CB 4.2Å; R221-A224 WeakPolarHBondContact O-CA 3.13Å; R221-A224 WeakPolarHBondContact O-CB 3.13Å; R221-A224 PolarHBondContact O-N 2.7Å; R222-A224 PolarHBondContact O-N 2.69Å; A224-E226 VanDerWaalsContact C-N 3.28Å; A224-E226 PolarHBondContact O-N 3.11Å; A224-T227 CarbonylContact O-C 3.57Å; A224-T227 PolarHBondContact O-N 2.83Å; A224-T227 PolarHBondContact O-OG1 3.21Å; A224-T227 VanDerWaalsContact O-OG1 3.12Å; A224-G228 PolarHBondContact O-N 2.98Å; A224-G228 VanDerWaalsContact O-N 3.14Å; A224-R229 CarbonylContact C-O 3.48Å; A224-R229 WeakPolarHBondContact CA-O 3.47Å; A224-R229 HydrophobicContact CB-CB 4.16Å; A224-R229 WeakPolarHBondContact CB-O 3.33Å; A224-R229 CarbonylContact O-C 3.5Å; A224-R229 PolarHBondContact O-N 2.81Å; A224-I231 HydrophobicContact CB-CB 3.54Å; A224-I231 HydrophobicContact CB-CD1 3.77Å; A224-I231 HydrophobicContact CB-CG1 3.57Å
225	A	71.3	Confident	75.5	Confident	40 Å²	40	54.6 Å²	54.6	33%	0.331	28%	0.277	S	S	.	.	H	α-helix	trans	-53.5	-44.9	175.3	0	0	0	0	0	112.2	I220 R221 R222 T227 G228 T317	I220-A225 HydrophobicContact CD1-CB 3.55Å; I220-A225 HydrophobicContact CG1-CB 4.31Å; R221-A225 PolarHBondContact O-N 3.34Å; R221-A225 VanDerWaalsContact O-N 3.16Å; R222-A225 WeakPolarHBondContact O-CB 3.08Å; R222-A225 PolarHBondContact O-N 2.74Å; R222-A225 VanDerWaalsContact O-N 3.13Å; A225-T227 VanDerWaalsContact C-N 3.33Å; A225-T227 PolarHBondContact O-N 2.84Å; A225-G228 PolarHBondContact O-N 2.67Å; A225-T317 HydrophobicContact CB-CG2 4.02Å
226	E	68.5	Low	75.4	Confident	89 Å²	89	51.5 Å²	51.5	42%	0.416	26%	0.263	S	S	.	.	H	α-helix	trans	-68.3	-28.7	179.2	-68.7	170.5	-170.6	0	0	113.5	R222 I223 A224 R546	R222-E226 WeakPolarHBondContact CG-OE1 3.45Å; R222-E226 WeakPolarHBondContact O-CG 3.41Å; R222-E226 PolarHBondContact O-N 2.83Å; I223-E226 PolarHBondContact O-N 3.49Å; A224-E226 VanDerWaalsContact C-N 3.28Å; A224-E226 PolarHBondContact O-N 3.11Å; E226-R546 IonicContact OE2-CZ 2.77Å; E226-R546 IonicContact OE2-NH1 2.78Å; E226-R546 PolarHBondContact OE2-NH1 3.13Å; E226-R546 IonicContact OE2-NH2 3.23Å; E226-R546 PolarHBondContact OE2-NH2 3.38Å
227	T	66.1	Low	74.8	Confident	78 Å²	78	48.5 Å²	48.5	48%	0.479	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	9.7	179.2	60.7	0	0	0	0	113.8	I223 A224 A225 R229	I223-T227 HydrophobicContact CG2-CG2 4.44Å; I223-T227 WeakPolarHBondContact O-CG2 3Å; I223-T227 PolarHBondContact O-N 3.2Å; I223-T227 PolarHBondContact O-OG1 3.17Å; A224-T227 CarbonylContact O-C 3.57Å; A224-T227 PolarHBondContact O-N 2.83Å; A224-T227 PolarHBondContact O-OG1 3.21Å; A224-T227 VanDerWaalsContact O-OG1 3.12Å; A225-T227 VanDerWaalsContact C-N 3.33Å; A225-T227 PolarHBondContact O-N 2.84Å; T227-R229 PolarHBondContact O-N 2.91Å
228	G	63.3	Low	73.7	Confident	63 Å²	63	51.2 Å²	51.2	65%	0.649	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	19.4	-174.6	0	0	0	0	0	114.2	A224 A225	A224-G228 PolarHBondContact O-N 2.98Å; A224-G228 VanDerWaalsContact O-N 3.14Å; A225-G228 PolarHBondContact O-N 2.67Å
229	R	61	Low	72.7	Confident	164 Å²	164	53.6 Å²	53.6	62%	0.619	30%	0.297	S	S	*	.			trans	-103.3	147.1	178.4	-66.5	-178.7	176.7	-179.8	-2.3	110.1	A224 T227 I231	A224-R229 CarbonylContact C-O 3.48Å; A224-R229 WeakPolarHBondContact CA-O 3.47Å; A224-R229 HydrophobicContact CB-CB 4.16Å; A224-R229 WeakPolarHBondContact CB-O 3.33Å; A224-R229 CarbonylContact O-C 3.5Å; A224-R229 PolarHBondContact O-N 2.81Å; T227-R229 PolarHBondContact O-N 2.91Å; R229-I231 HydrophobicContact CB-CG1 4.45Å
230	F	66.9	Low	71.8	Confident	44 Å²	44	54.4 Å²	54.4	19%	0.193	30%	0.301	C	S	.	.			trans	-105.9	94.5	175.6	-167.2	-84.5	0	0	0	110.2	V218 I220 L232 L319 Y328 L329 I332	V218-F230 HydrophobicContact CG1-CE2 3.75Å; V218-F230 HydrophobicContact CG1-CZ 3.84Å; V218-F230 HydrophobicContact CG2-CZ 3.94Å; I220-F230 HydrophobicContact CG2-CD2 4.06Å; I220-F230 HydrophobicContact CG2-CE1 4.27Å; I220-F230 HydrophobicContact CG2-CE2 3.67Å; I220-F230 HydrophobicContact CG2-CZ 3.78Å; F230-L232 HydrophobicContact CD1-CG 4.31Å; F230-L232 HydrophobicContact CE1-CD1 4.36Å; F230-L232 HydrophobicContact CE1-CD2 3.6Å; F230-L232 HydrophobicContact CE1-CG 3.77Å; F230-L232 HydrophobicContact CZ-CD2 4.09Å; F230-L319 HydrophobicContact CD2-CD2 4.33Å; F230-L319 HydrophobicContact CE2-CD2 4.29Å; F230-Y328 HydrophobicContact CB-CE1 3.71Å; F230-Y328 HydrophobicContact CD2-CE1 4.33Å; F230-Y328 HydrophobicContact CG-CE1 4.27Å; F230-L329 HydrophobicContact CE1-CD2 4.34Å; F230-L329 HydrophobicContact CE2-CD2 4Å; F230-L329 HydrophobicContact CZ-CD2 3.82Å; F230-I332 HydrophobicContact CB-CD1 4.39Å
231	I	74.3	Confident	70.7	Confident	74 Å²	74	54.8 Å²	54.8	38%	0.379	30%	0.304	S	S	.	.			trans	-112.4	114	178.8	-56.5	173.2	0	0	0	109	R221 A224 R229	R221-I231 HydrophobicContact CB-CB 4.25Å; R221-I231 HydrophobicContact CB-CG2 4.4Å; R221-I231 PolarHBondContact N-O 3.21Å; A224-I231 HydrophobicContact CB-CB 3.54Å; A224-I231 HydrophobicContact CB-CD1 3.77Å; A224-I231 HydrophobicContact CB-CG1 3.57Å; R229-I231 HydrophobicContact CB-CG1 4.45Å
232	L	79	Confident	69.8	Low	32 Å²	32	51.3 Å²	51.3	17%	0.168	29%	0.291	C	S	.	.			trans	-74.4	153.9	175.2	-72.1	175.6	0	0	0	111.7	H204 L206 V218 I220 F230 L234	H204-L232 WeakPolarHBondContact NE2-CB 3.42Å; H204-L232 WeakPolarHBondContact NE2-CD1 2.93Å; L206-L232 HydrophobicContact CB-CD1 4.5Å; L206-L232 HydrophobicContact CD1-CD1 4.1Å; L206-L232 HydrophobicContact CD1-CD2 3.65Å; V218-L232 HydrophobicContact CG2-CD2 4.13Å; I220-L232 HydrophobicContact CG2-CD2 4.49Å; F230-L232 HydrophobicContact CD1-CG 4.31Å; F230-L232 HydrophobicContact CE1-CD1 4.36Å; F230-L232 HydrophobicContact CE1-CD2 3.6Å; F230-L232 HydrophobicContact CE1-CG 3.77Å; F230-L232 HydrophobicContact CZ-CD2 4.09Å; L232-L234 PolarHBondContact O-N 3.34Å
233	P	80.1	Confident	69	Low	1 Å²	1	50.1 Å²	50.1	1%	0.006	29%	0.287	C	S	.	.			trans	-57.9	121.1	175	-22.4	29.2	0	0	0	114	H204 L205 L219 F235 F316	H204-P233 WeakPolarHBondContact CA-O 2.92Å; L205-P233 HydrophobicContact CB-CB 4.47Å; L205-P233 PolarHBondContact N-O 2.91Å; L205-P233 WeakPolarHBondContact O-CD 3.36Å; L219-P233 HydrophobicContact CD2-CG 4.13Å; L219-P233 HydrophobicContact CG-CG 4.28Å; L219-P233 VanDerWaalsContact O-CD 3.29Å; L219-P233 WeakPolarHBondContact O-CD 3.48Å; P233-F235 HydrophobicContact CB-CD2 4.3Å; P233-F235 HydrophobicContact CB-CE2 3.26Å; P233-F235 HydrophobicContact CB-CZ 3.58Å; P233-F316 HydrophobicContact CB-CD1 4.25Å; P233-F316 HydrophobicContact CB-CE1 3.58Å; P233-F316 HydrophobicContact CB-CZ 3.93Å; P233-F316 HydrophobicContact CG-CD1 3.84Å; P233-F316 HydrophobicContact CG-CE1 3.66Å; P233-F316 HydrophobicContact CG-CZ 4.41Å
234	L	80.2	Confident	68.6	Low	86 Å²	86	49.1 Å²	49.1	45%	0.45	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.4	175.6	179.7	70.4	0	0	0	110.1	H202 H203 H204 L232 M292 L294	H202-L234 HydrophobicContact CB-CD1 4.08Å; H203-L234 WeakPolarHBondContact O-CA 3.28Å; H204-L234 HydrophobicContact CB-CD1 4.04Å; L232-L234 PolarHBondContact O-N 3.34Å; L234-M292 HydrophobicContact CD1-CE 4.01Å; L234-M292 HydrophobicContact CD2-CE 3.94Å; L234-M292 HydrophobicContact CG-CE 4.46Å; L234-L294 HydrophobicContact CD1-CD1 3.65Å
235	F	79.9	Confident	68.2	Low	15 Å²	15	49.3 Å²	49.3	7%	0.066	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	145.3	-174.5	-53.5	-80.4	0	0	0	111.8	H202 H203 L205 P233 P241 H244 F316	H202-F235 CarbonylContact C-O 3.58Å; H202-F235 WeakPolarHBondContact CA-O 3.38Å; H202-F235 WeakPolarHBondContact CB-O 3.03Å; H203-F235 PolarHBondContact N-O 2.68Å; H203-F235 PolarHBondContact O-N 2.88Å; L205-F235 HydrophobicContact CD1-CD2 4.08Å; L205-F235 HydrophobicContact CD1-CE2 3.91Å; L205-F235 HydrophobicContact CG-CD2 4.3Å; L205-F235 HydrophobicContact CG-CE2 4.33Å; P233-F235 HydrophobicContact CB-CD2 4.3Å; P233-F235 HydrophobicContact CB-CE2 3.26Å; P233-F235 HydrophobicContact CB-CZ 3.58Å; F235-P241 HydrophobicContact CB-CB 4.42Å; F235-P241 HydrophobicContact CB-CG 4.16Å; F235-P241 HydrophobicContact CD1-CB 4.23Å; F235-P241 HydrophobicContact CD2-CB 3.45Å; F235-P241 VanDerWaalsContact CD2-CB 3.45Å; F235-P241 HydrophobicContact CD2-CG 3.89Å; F235-P241 HydrophobicContact CE1-CB 4.33Å; F235-P241 WeakPolarHBondContact CE1-O 3.25Å; F235-P241 HydrophobicContact CE2-CB 3.55Å; F235-P241 HydrophobicContact CE2-CG 4.46Å; F235-P241 HydrophobicContact CG-CB 3.77Å; F235-P241 HydrophobicContact CG-CG 4.05Å; F235-P241 HydrophobicContact CZ-CB 4Å; F235-P241 WeakPolarHBondContact CZ-O 3.33Å; F235-H244 HydrophobicContact CE1-CB 4.19Å; F235-F316 AromaticContact CE1-CE2 3.79Å; F235-F316 HydrophobicContact CE1-CE2 3.79Å; F235-F316 AromaticContact CE1-CZ 3.7Å; F235-F316 HydrophobicContact CE1-CZ 3.7Å; F235-F316 HydrophobicContact CZ-CE1 4.38Å; F235-F316 AromaticContact CZ-CE2 3.67Å; F235-F316 HydrophobicContact CZ-CE2 3.67Å; F235-F316 AromaticContact CZ-CZ 3.47Å; F235-F316 HydrophobicContact CZ-CZ 3.47Å; F235-F316 VanDerWaalsContact CZ-CZ 3.47Å
236	A	78	Confident	67.5	Low	17 Å²	17	49.5 Å²	49.5	14%	0.14	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	143.6	165.9	0	0	0	0	0	109.5	A238 D239	A236-A238 PolarHBondContact O-N 2.69Å; A236-D239 PolarHBondContact O-N 3.22Å
237	A	69	Low	66.9	Low	49 Å²	49	45.2 Å²	45.2	41%	0.405	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.3	-175.6	0	0	0	0	0	115	A201 H203	A201-A237 HydrophobicContact CB-CB 3.63Å; A201-A237 WeakPolarHBondContact O-CB 3.43Å; A201-A237 PolarHBondContact O-N 2.99Å; H203-A237 WeakPolarHBondContact NE2-CB 3.25Å
238	A	60.6	Low	66.4	Low	77 Å²	77	44.4 Å²	44.4	64%	0.636	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-16.6	174.9	0	0	0	0	0	113.3	R195 A236	R195-A238 VanDerWaalsContact NH1-CB 3.28Å; A236-A238 PolarHBondContact O-N 2.69Å
239	D	63.2	Low	65.8	Low	52 Å²	52	47.1 Å²	47.1	28%	0.278	24%	0.24	S	C	.	.	S	Bend	trans	-92.2	127.4	176	-60.4	-18.7	0	0	0	108.1	R195 A236 P241	R195-D239 IonicContact CZ-OD1 3.33Å; R195-D239 VanDerWaalsContact CZ-OD1 3.24Å; R195-D239 IonicContact CZ-OD2 2.67Å; R195-D239 IonicContact NH1-OD1 2.77Å; R195-D239 PolarHBondContact NH1-OD1 3.18Å; R195-D239 IonicContact NH1-OD2 2.84Å; R195-D239 IonicContact NH2-OD1 3.54Å; R195-D239 PolarHBondContact NH2-OD1 3.11Å; R195-D239 IonicContact NH2-OD2 2.78Å; R195-D239 PolarHBondContact NH2-OD2 3.39Å; A236-D239 PolarHBondContact O-N 3.22Å; D239-P241 WeakPolarHBondContact O-CD 3.48Å; D239-P241 VanDerWaalsContact O-N 3.16Å
240	I	62.7	Low	65.6	Low	24 Å²	24	41 Å²	41	12%	0.123	22%	0.224	C	C	.	.			trans	-70.1	113.8	175.1	-44.6	-174.7	0	0	0	106.3	F242 W243 M259 R263 M266	I240-F242 PolarHBondContact O-N 2.81Å; I240-W243 VanDerWaalsContact CB-CD1 3.43Å; I240-W243 HydrophobicContact CB-CG 4.34Å; I240-W243 VanDerWaalsContact CB-NE1 3.29Å; I240-W243 HydrophobicContact CD1-CZ2 3.86Å; I240-W243 VanDerWaalsContact CG1-NE1 3.3Å; I240-W243 VanDerWaalsContact O-CD1 3.23Å; I240-W243 PolarHBondContact O-N 3.21Å; I240-M259 HydrophobicContact CD1-CE 4.45Å; I240-R263 HydrophobicContact CD1-CG 3.7Å; I240-M266 HydrophobicContact CG2-CG 3.57Å
241	P	59.2	Low	65.1	Low	8 Å²	8	40 Å²	40	5%	0.052	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-33.7	-173.8	-34.3	40	0	0	0	114.3	L205 F235 D239 W243 M266 F270	L205-P241 HydrophobicContact CD1-CB 3.65Å; L205-P241 HydrophobicContact CD1-CG 4Å; F235-P241 HydrophobicContact CB-CB 4.42Å; F235-P241 HydrophobicContact CB-CG 4.16Å; F235-P241 HydrophobicContact CD1-CB 4.23Å; F235-P241 HydrophobicContact CD2-CB 3.45Å; F235-P241 VanDerWaalsContact CD2-CB 3.45Å; F235-P241 HydrophobicContact CD2-CG 3.89Å; F235-P241 HydrophobicContact CE1-CB 4.33Å; F235-P241 WeakPolarHBondContact CE1-O 3.25Å; F235-P241 HydrophobicContact CE2-CB 3.55Å; F235-P241 HydrophobicContact CE2-CG 4.46Å; F235-P241 HydrophobicContact CG-CB 3.77Å; F235-P241 HydrophobicContact CG-CG 4.05Å; F235-P241 HydrophobicContact CZ-CB 4Å; F235-P241 WeakPolarHBondContact CZ-O 3.33Å; D239-P241 WeakPolarHBondContact O-CD 3.48Å; D239-P241 VanDerWaalsContact O-N 3.16Å; P241-W243 PolarHBondContact O-N 2.72Å; P241-M266 HydrophobicContact CB-CE 4.28Å; P241-M266 HydrophobicContact CG-CE 3.84Å; P241-F270 HydrophobicContact CG-CZ 4.31Å
242	F	61.4	Low	64.2	Low	31 Å²	31	39.6 Å²	39.6	14%	0.136	24%	0.239	C	C	.	.	H	α-helix	trans	-72.8	-18.8	-175.8	-88.3	-92.1	0	0	0	115.5	I240 H244 A245 L246 M266 I308	I240-F242 PolarHBondContact O-N 2.81Å; F242-H244 VanDerWaalsContact C-N 3.27Å; F242-H244 PolarHBondContact O-N 2.72Å; F242-A245 HydrophobicContact CD1-CB 4.25Å; F242-A245 CarbonylContact O-C 3.55Å; F242-A245 PolarHBondContact O-N 2.69Å; F242-A245 VanDerWaalsContact O-N 3.13Å; F242-L246 HydrophobicContact CB-CD1 4.34Å; F242-L246 HydrophobicContact CD1-CG 4.48Å; F242-L246 WeakPolarHBondContact O-CB 3.43Å; F242-L246 VanDerWaalsContact O-CG 3.28Å; F242-L246 WeakPolarHBondContact O-CG 3.48Å; F242-L246 PolarHBondContact O-N 3.46Å; F242-M266 HydrophobicContact CD2-CE 4.09Å; F242-M266 HydrophobicContact CD2-CG 4.4Å; F242-M266 HydrophobicContact CD2-SD 3.13Å; F242-M266 WeakPolarHBondContact CD2-SD 3.5Å; F242-M266 HydrophobicContact CE2-CE 4.25Å; F242-M266 HydrophobicContact CE2-SD 3.43Å; F242-M266 WeakPolarHBondContact CE2-SD 3.25Å; F242-M266 HydrophobicContact CG-SD 4.18Å; F242-I308 HydrophobicContact CD1-CG1 4.48Å; F242-I308 HydrophobicContact CD1-CG2 4.29Å; F242-I308 HydrophobicContact CE1-CB 4.1Å; F242-I308 HydrophobicContact CE1-CD1 3.27Å; F242-I308 HydrophobicContact CE1-CG1 3.42Å; F242-I308 VanDerWaalsContact CE1-CG1 3.42Å; F242-I308 HydrophobicContact CE1-CG2 3.6Å; F242-I308 HydrophobicContact CZ-CD1 3.27Å; F242-I308 HydrophobicContact CZ-CG1 3.93Å
243	W	62.4	Low	63.1	Low	41 Å²	41	45 Å²	45	16%	0.155	27%	0.268	C	S	.	.	H	α-helix	trans	-57	-44.9	179.2	-70.4	124.5	0	0	0	112	I240 P241 G247 A251 M254 M259	I240-W243 VanDerWaalsContact CB-CD1 3.43Å; I240-W243 HydrophobicContact CB-CG 4.34Å; I240-W243 VanDerWaalsContact CB-NE1 3.29Å; I240-W243 HydrophobicContact CD1-CZ2 3.86Å; I240-W243 VanDerWaalsContact CG1-NE1 3.3Å; I240-W243 VanDerWaalsContact O-CD1 3.23Å; I240-W243 PolarHBondContact O-N 3.21Å; P241-W243 PolarHBondContact O-N 2.72Å; W243-G247 PolarHBondContact O-N 2.79Å; W243-G247 VanDerWaalsContact O-N 3.16Å; W243-A251 HydrophobicContact CD2-CB 4.02Å; W243-A251 VanDerWaalsContact CE3-CA 3.48Å; W243-A251 HydrophobicContact CE3-CB 3.18Å; W243-A251 VanDerWaalsContact CZ3-CA 3.48Å; W243-A251 HydrophobicContact CZ3-CB 3.74Å; W243-M254 HydrophobicContact CH2-CB 4.48Å; W243-M254 HydrophobicContact CH2-SD 4.22Å; W243-M254 HydrophobicContact CZ3-CB 4.38Å; W243-M254 HydrophobicContact CZ3-SD 3.8Å; W243-M259 HydrophobicContact CH2-CE 3.99Å; W243-M259 HydrophobicContact CH2-CG 4.33Å; W243-M259 HydrophobicContact CH2-SD 3.08Å; W243-M259 WeakPolarHBondContact CH2-SD 3.25Å; W243-M259 HydrophobicContact CZ2-CE 3.25Å; W243-M259 HydrophobicContact CZ2-CG 4.43Å; W243-M259 HydrophobicContact CZ2-SD 3.03Å; W243-M259 WeakPolarHBondContact CZ2-SD 3.1Å; W243-M259 HydrophobicContact CZ3-SD 4.2Å
244	H	63	Low	62	Low	47 Å²	47	47.8 Å²	47.8	22%	0.218	28%	0.281	C	S	.	.	H	α-helix	trans	-76.3	-30.6	179.3	-72.1	-90.4	0	0	0	112.1	F235 F242 S314 D315 F316	F235-H244 HydrophobicContact CE1-CB 4.19Å; F242-H244 VanDerWaalsContact C-N 3.27Å; F242-H244 PolarHBondContact O-N 2.72Å; H244-S314 PolarHBondContact O-OG 3.21Å; H244-D315 IonicContact ND1-OD2 3.81Å; H244-D315 PolarHBondContact ND1-OD2 3.3Å; H244-F316 HydrophobicContact CB-CD2 4.17Å; H244-F316 HydrophobicContact CB-CE2 3.52Å
245	A	61.2	Low	60.8	Low	4 Å²	4	46.8 Å²	46.8	3%	0.033	29%	0.286	C	S	.	.	H	α-helix	trans	-68.6	-34.2	173.6	0	0	0	0	0	112.3	F242 H310 S314 F316	F242-A245 HydrophobicContact CD1-CB 4.25Å; F242-A245 CarbonylContact O-C 3.55Å; F242-A245 PolarHBondContact O-N 2.69Å; F242-A245 VanDerWaalsContact O-N 3.13Å; A245-H310 WeakPolarHBondContact O-CA 3.24Å; A245-H310 WeakPolarHBondContact O-CB 3.15Å; A245-S314 WeakPolarHBondContact CA-OG 3.43Å; A245-S314 WeakPolarHBondContact O-CB 3.37Å; A245-S314 PolarHBondContact O-OG 3.39Å; A245-F316 HydrophobicContact CB-CD2 4.25Å
246	L	57.2	Low	60	Low	43 Å²	43	50 Å²	50	23%	0.225	32%	0.315	C	S	.	.	H	α-helix	trans	-82.6	-22.2	179.5	-67.1	172.5	0	0	0	113.3	F242 A250 M254 G311	F242-L246 HydrophobicContact CB-CD1 4.34Å; F242-L246 HydrophobicContact CD1-CG 4.48Å; F242-L246 WeakPolarHBondContact O-CB 3.43Å; F242-L246 VanDerWaalsContact O-CG 3.28Å; F242-L246 WeakPolarHBondContact O-CG 3.48Å; F242-L246 PolarHBondContact O-N 3.46Å; L246-A250 HydrophobicContact CB-CB 4.21Å; L246-M254 HydrophobicContact CD1-CE 4.31Å; L246-G311 WeakPolarHBondContact O-CA 3.3Å; L246-G311 PolarHBondContact O-N 3.37Å
247	G	55.9	Low	59.2	Low	0 Å²	0	57.7 Å²	57.7	0%	0	35%	0.346	C	S	.	.			trans	99.6	144.5	-174.4	0	0	0	0	0	111.9	W243 R249 A250 A251 D313	W243-G247 PolarHBondContact O-N 2.79Å; W243-G247 VanDerWaalsContact O-N 3.16Å; G247-R249 VanDerWaalsContact C-N 3.26Å; G247-R249 PolarHBondContact O-N 2.68Å; G247-A250 PolarHBondContact O-N 3.1Å; G247-A251 PolarHBondContact O-N 2.68Å; G247-A251 VanDerWaalsContact O-N 3.14Å; G247-D313 WeakPolarHBondContact CA-OD1 3.15Å
248	I	55.6	Low	59.1	Low	61 Å²	61	58.2 Å²	58.2	31%	0.313	34%	0.344	S	S	.	.	H	α-helix	trans	-62.5	-33.4	-173.2	-66.2	172.8	0	0	0	111.4	A251 G252 D313 R542	I248-A251 VanDerWaalsContact O-CB 3.29Å; I248-A251 WeakPolarHBondContact O-CB 3.4Å; I248-A251 PolarHBondContact O-N 3.36Å; I248-G252 PolarHBondContact O-N 2.8Å; I248-D313 PolarHBondContact N-OD2 3.26Å; I248-D313 VanDerWaalsContact N-OD2 3.13Å; I248-R542 HydrophobicContact CD1-CG 4.41Å
249	R	51.1	Low	59.1	Low	120 Å²	120	57 Å²	57	45%	0.453	33%	0.325	S	S	.	.	H	α-helix	trans	-71.1	-41.6	178.6	-72.3	-177.2	-175.6	175.6	2.3	112.8	G247 A251 G252 D253 D313	G247-R249 VanDerWaalsContact C-N 3.26Å; G247-R249 PolarHBondContact O-N 2.68Å; R249-A251 PolarHBondContact O-N 2.92Å; R249-G252 PolarHBondContact O-N 2.84Å; R249-G252 VanDerWaalsContact O-N 3.16Å; R249-D253 PolarHBondContact O-N 3.38Å; R249-D253 VanDerWaalsContact O-N 3.13Å; R249-D313 PolarHBondContact N-OD2 3.37Å
250	A	55.8	Low	59.4	Low	34 Å²	34	59 Å²	59	28%	0.281	33%	0.333	S	S	.	.	H	α-helix	trans	-59	-33.4	172.4	0	0	0	0	0	110.7	L246 G247 M254	L246-A250 HydrophobicContact CB-CB 4.21Å; G247-A250 PolarHBondContact O-N 3.1Å; A250-M254 HydrophobicContact CB-CE 4.35Å; A250-M254 WeakPolarHBondContact O-CG 3.34Å
251	A	57	Low	59.6	Low	25 Å²	25	61.9 Å²	61.9	21%	0.207	35%	0.354	C	S	.	.	H	α-helix	trans	-67.1	-45.6	174.4	0	0	0	0	0	113.9	W243 G247 I248 R249	W243-A251 HydrophobicContact CD2-CB 4.02Å; W243-A251 VanDerWaalsContact CE3-CA 3.48Å; W243-A251 HydrophobicContact CE3-CB 3.18Å; W243-A251 VanDerWaalsContact CZ3-CA 3.48Å; W243-A251 HydrophobicContact CZ3-CB 3.74Å; G247-A251 PolarHBondContact O-N 2.68Å; G247-A251 VanDerWaalsContact O-N 3.14Å; I248-A251 VanDerWaalsContact O-CB 3.29Å; I248-A251 WeakPolarHBondContact O-CB 3.4Å; I248-A251 PolarHBondContact O-N 3.36Å; R249-A251 PolarHBondContact O-N 2.92Å
252	G	55.6	Low	59.9	Low	65 Å²	65	62.7 Å²	62.7	67%	0.67	36%	0.362	S	S	*	.	H	α-helix	trans	-68.7	-33.4	-176.7	0	0	0	0	0	114.3	I248 R249 M254	I248-G252 PolarHBondContact O-N 2.8Å; R249-G252 PolarHBondContact O-N 2.84Å; R249-G252 VanDerWaalsContact O-N 3.16Å; G252-M254 VanDerWaalsContact C-N 3.33Å
253	D	56.7	Low	60.3	Low	146 Å²	146	66.8 Å²	66.8	78%	0.781	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-11.7	-178.2	-69	-24.8	0	0	0	113.4	R249 A255	R249-D253 PolarHBondContact O-N 3.38Å; R249-D253 VanDerWaalsContact O-N 3.13Å; D253-A255 PolarHBondContact O-N 2.78Å
254	M	56.5	Low	60.8	Low	58 Å²	58	67.9 Å²	67.9	29%	0.286	39%	0.388	S	S	.	.			trans	-78.1	107.8	-177	-83.3	-178.7	-162.9	0	0	111.7	W243 L246 A250 G252 V258	W243-M254 HydrophobicContact CH2-CB 4.48Å; W243-M254 HydrophobicContact CH2-SD 4.22Å; W243-M254 HydrophobicContact CZ3-CB 4.38Å; W243-M254 HydrophobicContact CZ3-SD 3.8Å; L246-M254 HydrophobicContact CD1-CE 4.31Å; A250-M254 HydrophobicContact CB-CE 4.35Å; A250-M254 WeakPolarHBondContact O-CG 3.34Å; G252-M254 VanDerWaalsContact C-N 3.33Å; M254-V258 HydrophobicContact CB-CB 3.89Å; M254-V258 HydrophobicContact CB-CG1 4.02Å; M254-V258 HydrophobicContact CB-CG2 4.48Å; M254-V258 HydrophobicContact CE-CG1 4.36Å; M254-V258 HydrophobicContact CG-CB 3.95Å; M254-V258 HydrophobicContact CG-CG1 3.57Å; M254-V258 HydrophobicContact CG-CG2 4.38Å; M254-V258 HydrophobicContact SD-CB 4.29Å; M254-V258 HydrophobicContact SD-CG1 3.36Å; M254-V258 WeakPolarHBondContact SD-CG1 3.39Å
255	A	55.4	Low	61.2	Low	66 Å²	66	68 Å²	68	55%	0.545	40%	0.397	S	S	.	.			trans	-52.8	154.3	171.6	0	0	0	0	0	112	D253 K257 V258 M259	D253-A255 PolarHBondContact O-N 2.78Å; A255-K257 PolarHBondContact O-N 2.92Å; A255-V258 WeakPolarHBondContact O-CB 3.01Å; A255-V258 PolarHBondContact O-N 3.41Å; A255-M259 PolarHBondContact O-N 2.85Å
256	A	62.3	Low	61.8	Low	83 Å²	83	68.5 Å²	68.5	69%	0.686	40%	0.399	S	S	*	.	H	α-helix	trans	-49.5	-28.7	-178.2	0	0	0	0	0	115.1	M259 E260	A256-M259 WeakPolarHBondContact O-CB 3.45Å; A256-M259 PolarHBondContact O-N 3.4Å; A256-E260 PolarHBondContact O-N 3.12Å
257	K	62.3	Low	62.9	Low	178 Å²	178	72.9 Å²	72.9	77%	0.774	42%	0.416	S	S	*	.	H	α-helix	trans	-64.5	-37.2	173.5	-75.2	-174.6	177.1	-178.7	0	113.3	A255 E260 C261	A255-K257 PolarHBondContact O-N 2.92Å; K257-E260 PolarHBondContact O-N 3.47Å; K257-C261 PolarHBondContact O-N 3.09Å; K257-C261 VanDerWaalsContact O-N 3.15Å; K257-C261 PolarHBondContact O-SG 3.12Å
258	V	65.2	Low	64	Low	60 Å²	60	75.7 Å²	75.7	36%	0.364	43%	0.431	S	S	.	.	H	α-helix	trans	-71.5	-35.5	178.2	-172.4	0	0	0	0	110.4	M254 A255 E260 C261 A262	M254-V258 HydrophobicContact CB-CB 3.89Å; M254-V258 HydrophobicContact CB-CG1 4.02Å; M254-V258 HydrophobicContact CB-CG2 4.48Å; M254-V258 HydrophobicContact CE-CG1 4.36Å; M254-V258 HydrophobicContact CG-CB 3.95Å; M254-V258 HydrophobicContact CG-CG1 3.57Å; M254-V258 HydrophobicContact CG-CG2 4.38Å; M254-V258 HydrophobicContact SD-CB 4.29Å; M254-V258 HydrophobicContact SD-CG1 3.36Å; M254-V258 WeakPolarHBondContact SD-CG1 3.39Å; A255-V258 WeakPolarHBondContact O-CB 3.01Å; A255-V258 PolarHBondContact O-N 3.41Å; V258-E260 VanDerWaalsContact C-N 3.29Å; V258-E260 PolarHBondContact O-N 3.46Å; V258-C261 PolarHBondContact O-N 3.32Å; V258-A262 WeakPolarHBondContact O-CB 3.38Å; V258-A262 PolarHBondContact O-N 3.04Å
259	M	62.4	Low	65.1	Low	51 Å²	51	73.2 Å²	73.2	25%	0.251	42%	0.419	S	S	.	.	H	α-helix	trans	-55.4	-44.4	171.6	-59.7	-76.8	-53.5	0	0	111.7	I240 W243 A255 A256 A262 R263	I240-M259 HydrophobicContact CD1-CE 4.45Å; W243-M259 HydrophobicContact CH2-CE 3.99Å; W243-M259 HydrophobicContact CH2-CG 4.33Å; W243-M259 HydrophobicContact CH2-SD 3.08Å; W243-M259 WeakPolarHBondContact CH2-SD 3.25Å; W243-M259 HydrophobicContact CZ2-CE 3.25Å; W243-M259 HydrophobicContact CZ2-CG 4.43Å; W243-M259 HydrophobicContact CZ2-SD 3.03Å; W243-M259 WeakPolarHBondContact CZ2-SD 3.1Å; W243-M259 HydrophobicContact CZ3-SD 4.2Å; A255-M259 PolarHBondContact O-N 2.85Å; A256-M259 WeakPolarHBondContact O-CB 3.45Å; A256-M259 PolarHBondContact O-N 3.4Å; M259-A262 PolarHBondContact O-N 2.89Å; M259-R263 WeakPolarHBondContact O-CG 3.44Å; M259-R263 PolarHBondContact O-N 3.36Å
260	E	69.3	Low	66.4	Low	94 Å²	94	70 Å²	70	44%	0.439	41%	0.408	S	S	.	.	H	α-helix	trans	-69.2	-39.4	-179.8	-167.3	58.5	-155.1	0	0	112	A256 K257 V258 R263 T264	A256-E260 PolarHBondContact O-N 3.12Å; K257-E260 PolarHBondContact O-N 3.47Å; V258-E260 VanDerWaalsContact C-N 3.29Å; V258-E260 PolarHBondContact O-N 3.46Å; E260-R263 PolarHBondContact O-N 2.83Å; E260-R263 IonicContact OE2-CZ 3.93Å; E260-R263 IonicContact OE2-NH1 2.77Å; E260-R263 PolarHBondContact OE2-NH1 2.99Å; E260-T264 WeakPolarHBondContact O-CB 3.31Å; E260-T264 PolarHBondContact O-N 3Å; E260-T264 PolarHBondContact O-OG1 3.34Å
261	C	65.3	Low	67.7	Low	84 Å²	84	76.4 Å²	76.4	57%	0.568	43%	0.429	S	S	*	.	H	α-helix	trans	-61.9	-44.3	172.6	-64.4	0	0	0	0	111.3	K257 V258 T264 A265	K257-C261 PolarHBondContact O-N 3.09Å; K257-C261 VanDerWaalsContact O-N 3.15Å; K257-C261 PolarHBondContact O-SG 3.12Å; V258-C261 PolarHBondContact O-N 3.32Å; C261-T264 PolarHBondContact O-N 3.37Å; C261-A265 WeakPolarHBondContact O-CB 3.36Å; C261-A265 PolarHBondContact O-N 2.73Å
262	A	66.8	Low	68.6	Low	26 Å²	26	77.1 Å²	77.1	22%	0.215	44%	0.436	C	S	.	.	H	α-helix	trans	-64.2	-41.2	178.1	0	0	0	0	0	112.2	V258 M259 T264 A265 M266	V258-A262 WeakPolarHBondContact O-CB 3.38Å; V258-A262 PolarHBondContact O-N 3.04Å; M259-A262 PolarHBondContact O-N 2.89Å; A262-T264 VanDerWaalsContact C-N 3.33Å; A262-T264 PolarHBondContact O-N 3.04Å; A262-A265 PolarHBondContact O-N 2.7Å; A262-M266 WeakPolarHBondContact O-CB 3.25Å; A262-M266 WeakPolarHBondContact O-CG 3.19Å; A262-M266 PolarHBondContact O-N 3.24Å
263	R	69.6	Low	69.9	Low	116 Å²	116	74.7 Å²	74.7	44%	0.438	41%	0.408	S	S	.	.	H	α-helix	trans	-60.8	-42.6	172.7	-74.8	-178.7	-157.8	132.2	1.3	111.9	I240 M259 E260 M266 K267	I240-R263 HydrophobicContact CD1-CG 3.7Å; M259-R263 WeakPolarHBondContact O-CG 3.44Å; M259-R263 PolarHBondContact O-N 3.36Å; E260-R263 PolarHBondContact O-N 2.83Å; E260-R263 IonicContact OE2-CZ 3.93Å; E260-R263 IonicContact OE2-NH1 2.77Å; E260-R263 PolarHBondContact OE2-NH1 2.99Å; R263-M266 PolarHBondContact O-N 3.19Å; R263-K267 WeakPolarHBondContact O-CG 3.04Å; R263-K267 PolarHBondContact O-N 3.32Å
264	T	73.5	Confident	71.2	Confident	65 Å²	65	69.9 Å²	69.9	40%	0.399	38%	0.384	S	S	.	.	H	α-helix	trans	-65.6	-49.2	179.1	-56.7	0	0	0	0	110.6	E260 C261 A262 M266 K267 D268	E260-T264 WeakPolarHBondContact O-CB 3.31Å; E260-T264 PolarHBondContact O-N 3Å; E260-T264 PolarHBondContact O-OG1 3.34Å; C261-T264 PolarHBondContact O-N 3.37Å; A262-T264 VanDerWaalsContact C-N 3.33Å; A262-T264 PolarHBondContact O-N 3.04Å; T264-M266 VanDerWaalsContact C-N 3.27Å; T264-M266 PolarHBondContact O-N 2.89Å; T264-K267 WeakPolarHBondContact O-CB 3.13Å; T264-K267 PolarHBondContact O-N 2.8Å; T264-K267 VanDerWaalsContact O-N 3.11Å; T264-D268 PolarHBondContact O-N 3.5Å; T264-D268 VanDerWaalsContact O-N 3.14Å
265	A	71	Confident	72.4	Confident	50 Å²	50	72 Å²	72	41%	0.413	39%	0.392	S	S	.	.	H	α-helix	trans	-56.6	-41.3	175	0	0	0	0	0	111.6	C261 A262 K267 D268 V269	C261-A265 WeakPolarHBondContact O-CB 3.36Å; C261-A265 PolarHBondContact O-N 2.73Å; A262-A265 PolarHBondContact O-N 2.7Å; A265-K267 PolarHBondContact O-N 3.12Å; A265-D268 CarbonylContact O-C 3.51Å; A265-D268 PolarHBondContact O-N 2.8Å; A265-D268 VanDerWaalsContact O-N 3.11Å; A265-V269 VanDerWaalsContact O-CG2 3.31Å; A265-V269 WeakPolarHBondContact O-CG2 3.45Å; A265-V269 PolarHBondContact O-N 2.93Å
266	M	74.3	Confident	73.4	Confident	14 Å²	14	70.8 Å²	70.8	7%	0.069	38%	0.376	C	S	.	.	H	α-helix	trans	-65.6	-37.6	177	-80.7	-55.5	-60.5	0	0	114	I240 P241 F242 A262 R263 T264 D268 V269 F270	I240-M266 HydrophobicContact CG2-CG 3.57Å; P241-M266 HydrophobicContact CB-CE 4.28Å; P241-M266 HydrophobicContact CG-CE 3.84Å; F242-M266 HydrophobicContact CD2-CE 4.09Å; F242-M266 HydrophobicContact CD2-CG 4.4Å; F242-M266 HydrophobicContact CD2-SD 3.13Å; F242-M266 WeakPolarHBondContact CD2-SD 3.5Å; F242-M266 HydrophobicContact CE2-CE 4.25Å; F242-M266 HydrophobicContact CE2-SD 3.43Å; F242-M266 WeakPolarHBondContact CE2-SD 3.25Å; F242-M266 HydrophobicContact CG-SD 4.18Å; A262-M266 WeakPolarHBondContact O-CB 3.25Å; A262-M266 WeakPolarHBondContact O-CG 3.19Å; A262-M266 PolarHBondContact O-N 3.24Å; R263-M266 PolarHBondContact O-N 3.19Å; T264-M266 VanDerWaalsContact C-N 3.27Å; T264-M266 PolarHBondContact O-N 2.89Å; M266-D268 PolarHBondContact O-N 3.05Å; M266-V269 PolarHBondContact O-N 2.82Å; M266-V269 HydrophobicContact SD-CB 4.42Å; M266-F270 HydrophobicContact CE-CD2 3.69Å; M266-F270 HydrophobicContact CE-CE2 3.22Å; M266-F270 HydrophobicContact CE-CZ 3.83Å; M266-F270 WeakPolarHBondContact O-CB 3.34Å; M266-F270 VanDerWaalsContact O-CD2 3.25Å; M266-F270 WeakPolarHBondContact O-CD2 3.25Å; M266-F270 PolarHBondContact O-N 2.79Å
267	K	79	Confident	74.3	Confident	135 Å²	135	67.9 Å²	67.9	59%	0.587	35%	0.348	S	S	*	.	H	α-helix	trans	-59.6	-39.2	172.3	-73.6	176	179.7	175.4	0	110.4	R263 T264 A265 K271	R263-K267 WeakPolarHBondContact O-CG 3.04Å; R263-K267 PolarHBondContact O-N 3.32Å; T264-K267 WeakPolarHBondContact O-CB 3.13Å; T264-K267 PolarHBondContact O-N 2.8Å; T264-K267 VanDerWaalsContact O-N 3.11Å; A265-K267 PolarHBondContact O-N 3.12Å; K267-K271 WeakPolarHBondContact O-CB 3.44Å; K267-K271 VanDerWaalsContact O-CG 3.25Å; K267-K271 WeakPolarHBondContact O-CG 3.39Å; K267-K271 PolarHBondContact O-N 3.41Å
268	D	79	Confident	75.3	Confident	58 Å²	58	61 Å²	61	31%	0.31	33%	0.327	S	S	.	.	H	α-helix	trans	-72.8	-39.7	178.5	-64.2	-22	0	0	0	112.3	T264 A265 M266 F270 K271 A272 Y304	T264-D268 PolarHBondContact O-N 3.5Å; T264-D268 VanDerWaalsContact O-N 3.14Å; A265-D268 CarbonylContact O-C 3.51Å; A265-D268 PolarHBondContact O-N 2.8Å; A265-D268 VanDerWaalsContact O-N 3.11Å; M266-D268 PolarHBondContact O-N 3.05Å; D268-F270 PolarHBondContact O-N 3.25Å; D268-K271 WeakPolarHBondContact O-CB 3.5Å; D268-K271 PolarHBondContact O-N 3.31Å; D268-K271 IonicContact OD1-NZ 3.81Å; D268-A272 WeakPolarHBondContact O-CB 3.33Å; D268-A272 PolarHBondContact O-N 2.89Å; D268-Y304 HydrophobicContact CB-CE1 3.92Å
269	V	78.5	Confident	76.2	Confident	9 Å²	9	59 Å²	59	6%	0.055	32%	0.318	C	S	.	.	H	α-helix	trans	-59.8	-46.1	172.1	172.9	0	0	0	0	110.9	A265 M266 A272 S273 I299 Y304	A265-V269 VanDerWaalsContact O-CG2 3.31Å; A265-V269 WeakPolarHBondContact O-CG2 3.45Å; A265-V269 PolarHBondContact O-N 2.93Å; M266-V269 PolarHBondContact O-N 2.82Å; M266-V269 HydrophobicContact SD-CB 4.42Å; V269-A272 CarbonylContact O-C 3.58Å; V269-A272 PolarHBondContact O-N 3.23Å; V269-S273 WeakPolarHBondContact O-CB 2.94Å; V269-S273 PolarHBondContact O-N 2.86Å; V269-I299 HydrophobicContact CG1-CD1 3.54Å; V269-I299 HydrophobicContact CG1-CG1 4.09Å; V269-I299 HydrophobicContact CG1-CG2 4.09Å; V269-Y304 HydrophobicContact CG2-CD1 3.61Å; V269-Y304 HydrophobicContact CG2-CE1 4.4Å; V269-Y304 HydrophobicContact CG2-CG 3.98Å
270	F	78.9	Confident	77.3	Confident	53 Å²	53	58.4 Å²	58.4	23%	0.232	32%	0.316	C	S	.	.	H	α-helix	trans	-67.4	-34.8	177.9	-82.8	-61.8	0	0	0	112.6	H203 L205 P241 M266 D268 A272 S273 H297	H203-F270 HydrophobicContact CB-CE1 4.43Å; H203-F270 HydrophobicContact CB-CZ 4.23Å; H203-F270 AromaticContact CG-CZ 3.89Å; H203-F270 AromaticContact ND1-CE1 3.69Å; H203-F270 AromaticContact ND1-CZ 3.81Å; L205-F270 HydrophobicContact CD2-CE1 3.83Å; L205-F270 HydrophobicContact CD2-CZ 4.24Å; P241-F270 HydrophobicContact CG-CZ 4.31Å; M266-F270 HydrophobicContact CE-CD2 3.69Å; M266-F270 HydrophobicContact CE-CE2 3.22Å; M266-F270 HydrophobicContact CE-CZ 3.83Å; M266-F270 WeakPolarHBondContact O-CB 3.34Å; M266-F270 VanDerWaalsContact O-CD2 3.25Å; M266-F270 WeakPolarHBondContact O-CD2 3.25Å; M266-F270 PolarHBondContact O-N 2.79Å; D268-F270 PolarHBondContact O-N 3.25Å; F270-A272 VanDerWaalsContact C-N 3.33Å; F270-S273 PolarHBondContact O-N 3.31Å; F270-S273 PolarHBondContact O-OG 2.99Å; F270-H297 AromaticContact CD1-CE1 3.84Å; F270-H297 AromaticContact CD1-ND1 3.84Å; F270-H297 AromaticContact CE1-CD2 3.8Å; F270-H297 AromaticContact CE1-NE2 3.88Å
271	K	82.1	Confident	78	Confident	168 Å²	168	54 Å²	54	73%	0.73	30%	0.295	S	S	*	.	H	α-helix	trans	-64	-37.4	171.2	-77.5	172	-175.4	171.2	0	112.3	K267 D268	K267-K271 WeakPolarHBondContact O-CB 3.44Å; K267-K271 VanDerWaalsContact O-CG 3.25Å; K267-K271 WeakPolarHBondContact O-CG 3.39Å; K267-K271 PolarHBondContact O-N 3.41Å; D268-K271 WeakPolarHBondContact O-CB 3.5Å; D268-K271 PolarHBondContact O-N 3.31Å; D268-K271 IonicContact OD1-NZ 3.81Å
272	A	77.4	Confident	78.7	Confident	41 Å²	41	50.6 Å²	50.6	34%	0.339	27%	0.271	S	S	.	.	H	α-helix	trans	-79.2	-20.4	176.2	0	0	0	0	0	112.9	D268 V269 F270 Y304	D268-A272 WeakPolarHBondContact O-CB 3.33Å; D268-A272 PolarHBondContact O-N 2.89Å; V269-A272 CarbonylContact O-C 3.58Å; V269-A272 PolarHBondContact O-N 3.23Å; F270-A272 VanDerWaalsContact C-N 3.33Å; A272-Y304 HydrophobicContact CB-CD2 3.93Å; A272-Y304 HydrophobicContact CB-CE2 3.36Å
273	S	82.9	Confident	79.5	Confident	14 Å²	14	49.8 Å²	49.8	10%	0.098	26%	0.264	C	S	.	.	S	Bend	trans	-70.4	148.1	179.1	80.1	0	0	0	0	112	V269 F270 H297 V298	V269-S273 WeakPolarHBondContact O-CB 2.94Å; V269-S273 PolarHBondContact O-N 2.86Å; F270-S273 PolarHBondContact O-N 3.31Å; F270-S273 PolarHBondContact O-OG 2.99Å; S273-H297 PolarHBondContact OG-ND1 2.88Å; S273-H297 VanDerWaalsContact OG-ND1 3.12Å; S273-V298 WeakPolarHBondContact CA-O 3.1Å; S273-V298 WeakPolarHBondContact CB-O 3.09Å
274	T	82.6	Confident	80.1	Confident	44 Å²	44	46 Å²	46	27%	0.27	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	116.4	171	-59.8	0	0	0	0	109.2	L276 H297 V298	T274-L276 PolarHBondContact O-N 3.35Å; T274-H297 CarbonylContact O-C 3.44Å; T274-H297 WeakPolarHBondContact O-CA 3.27Å; T274-V298 PolarHBondContact N-O 3.45Å; T274-V298 PolarHBondContact O-N 3.33Å
275	K	83.5	Confident	80.7	Confident	103 Å²	103	46.5 Å²	46.5	45%	0.448	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	124	174.2	-175	179.5	174.7	-178.9	0	109.8	Y277 Q360	K275-Y277 VanDerWaalsContact CE-O 3.27Å; K275-Y277 WeakPolarHBondContact CE-O 3.48Å; K275-Q360 PolarHBondContact O-NE2 3.29Å
276	L	76.2	Confident	81.6	Confident	41 Å²	41	44.2 Å²	44.2	22%	0.215	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-38.8	175.5	-67.9	-179.3	0	0	0	112.6	T274 S296 V298 L356 V365	T274-L276 PolarHBondContact O-N 3.35Å; L276-S296 PolarHBondContact N-O 3.19Å; L276-V298 HydrophobicContact CD1-CG2 3.33Å; L276-V298 HydrophobicContact CD2-CG2 4.1Å; L276-V298 HydrophobicContact CG-CG2 3.64Å; L276-L356 HydrophobicContact CD2-CD2 4.08Å; L276-V365 HydrophobicContact CB-CG2 4.35Å
277	Y	80.6	Confident	82.5	Confident	22 Å²	22	43.5 Å²	43.5	9%	0.086	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	154.5	-177.9	177.2	-94.2	0	0	0	111.1	K275 G279 N280 I281 L294 Y295 S296 V365 R366 I369	K275-Y277 VanDerWaalsContact CE-O 3.27Å; K275-Y277 WeakPolarHBondContact CE-O 3.48Å; Y277-G279 VanDerWaalsContact CE1-N 3.31Å; Y277-N280 PolarHBondContact OH-O 2.9Å; Y277-N280 VanDerWaalsContact OH-O 3.11Å; Y277-I281 HydrophobicContact CE1-CG2 3.98Å; Y277-L294 HydrophobicContact CD1-CB 4.47Å; Y277-L294 VanDerWaalsContact CD1-O 3.23Å; Y277-L294 WeakPolarHBondContact CD1-O 3.24Å; Y277-L294 HydrophobicContact CE1-CB 4.32Å; Y277-L294 WeakPolarHBondContact CE1-O 3.41Å; Y277-Y295 WeakPolarHBondContact O-CA 3.41Å; Y277-S296 PolarHBondContact N-O 3.15Å; Y277-S296 PolarHBondContact O-N 3.06Å; Y277-V365 HydrophobicContact CG-CG1 4.37Å; Y277-R366 HydrophobicContact CD2-CB 4.35Å; Y277-I369 HydrophobicContact CD1-CD1 3.39Å; Y277-I369 HydrophobicContact CD2-CD1 3.5Å; Y277-I369 HydrophobicContact CE1-CD1 3.58Å; Y277-I369 HydrophobicContact CE1-CG2 4.28Å; Y277-I369 HydrophobicContact CE2-CB 4.13Å; Y277-I369 HydrophobicContact CE2-CD1 3.65Å; Y277-I369 HydrophobicContact CE2-CG1 4.49Å; Y277-I369 HydrophobicContact CE2-CG2 3.94Å; Y277-I369 HydrophobicContact CG-CD1 3.36Å; Y277-I369 WeakPolarHBondContact OH-CG2 3.42Å
278	G	82.9	Confident	83.1	Confident	34 Å²	34	37.1 Å²	37.1	35%	0.351	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	114	169.6	0	0	0	0	0	111	L294	G278-L294 VanDerWaalsContact CA-O 3.3Å; G278-L294 WeakPolarHBondContact CA-O 3.49Å
279	G	84.9	Confident	83.8	Confident	17 Å²	17	35.2 Å²	35.2	18%	0.175	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.3	177	-178.2	0	0	0	0	0	112.6	Y277 D293 L294	Y277-G279 VanDerWaalsContact CE1-N 3.31Å; G279-D293 CarbonylContact O-C 3.6Å; G279-D293 WeakPolarHBondContact O-CA 3.12Å; G279-L294 PolarHBondContact N-O 3.28Å; G279-L294 PolarHBondContact O-N 3.28Å
280	N	84.6	Confident	84.4	Confident	39 Å²	39	34.8 Å²	34.8	21%	0.209	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	139.9	171.8	56.6	-58.7	0	0	0	110.2	D183 Y277	D183-N280 VanDerWaalsContact CG-ND2 3.31Å; D183-N280 PolarHBondContact OD1-ND2 2.85Å; D183-N280 VanDerWaalsContact OD1-ND2 3.13Å; D183-N280 PolarHBondContact OD2-ND2 2.92Å; Y277-N280 PolarHBondContact OH-O 2.9Å; Y277-N280 VanDerWaalsContact OH-O 3.11Å
281	I	83.6	Confident	85	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	144.6	173.1	57.1	159.3	0	0	0	109.5	Y277 A283 N286 M292 L294 I369 M384	Y277-I281 HydrophobicContact CE1-CG2 3.98Å; I281-A283 PolarHBondContact O-N 2.69Å; I281-N286 PolarHBondContact O-ND2 2.92Å; I281-M292 HydrophobicContact CD1-CB 4.34Å; I281-M292 HydrophobicContact CD1-CE 3.97Å; I281-M292 HydrophobicContact CD1-CG 3.87Å; I281-M292 HydrophobicContact CD1-SD 3.76Å; I281-M292 HydrophobicContact CG1-CB 4Å; I281-M292 HydrophobicContact CG1-CG 3.94Å; I281-M292 WeakPolarHBondContact CG1-O 3.43Å; I281-M292 HydrophobicContact CG1-SD 4.43Å; I281-M292 PolarHBondContact N-O 3.46Å; I281-L294 HydrophobicContact CB-CB 4.47Å; I281-L294 HydrophobicContact CD1-CB 3.77Å; I281-L294 HydrophobicContact CD1-CD2 4.17Å; I281-L294 HydrophobicContact CD1-CG 4.38Å; I281-L294 HydrophobicContact CG1-CB 3.95Å; I281-L294 HydrophobicContact CG2-CB 3.68Å; I281-L294 HydrophobicContact CG2-CD2 4.26Å; I281-I369 HydrophobicContact CG2-CG2 3.82Å; I281-M384 HydrophobicContact CB-SD 4.37Å; I281-M384 HydrophobicContact CD1-CE 3.33Å; I281-M384 HydrophobicContact CD1-SD 3.56Å; I281-M384 VanDerWaalsContact CD1-SD 3.56Å
282	W	80.7	Confident	85.4	Confident	14 Å²	14	26 Å²	26	5%	0.053	15%	0.147	C	C	.	.			trans	-76.6	115.6	171.4	-162	-85.6	0	0	0	109.1	H181 D183 T186 N373 A376	H181-W282 AromaticContact CE1-CE3 3.48Å; H181-W282 VanDerWaalsContact CE1-CE3 3.48Å; H181-W282 AromaticContact CE1-CZ3 3.5Å; H181-W282 AromaticContact ND1-CZ3 3.81Å; D183-W282 HydrophobicContact CB-CE3 3.97Å; D183-W282 HydrophobicContact CB-CZ3 3.79Å; T186-W282 HydrophobicContact CG2-CH2 3.9Å; T186-W282 HydrophobicContact CG2-CZ2 4.37Å; T186-W282 HydrophobicContact CG2-CZ3 4.39Å; W282-N373 PolarHBondContact N-OD1 2.87Å; W282-A376 HydrophobicContact CB-CB 4.02Å; W282-A376 HydrophobicContact CG-CB 3.92Å; W282-A376 PolarHBondContact NE1-O 3.45Å
283	A	83.4	Confident	86	Confident	8 Å²	8	25.3 Å²	25.3	7%	0.066	14%	0.138	C	C	.	.			trans	-129.5	151	-177.8	0	0	0	0	0	111	I281 R285 N286 M292	I281-A283 PolarHBondContact O-N 2.69Å; A283-R285 PolarHBondContact O-N 2.81Å; A283-N286 PolarHBondContact N-ND2 2.85Å; A283-N286 VanDerWaalsContact N-ND2 3.18Å; A283-N286 WeakPolarHBondContact O-CB 3.4Å; A283-N286 PolarHBondContact O-N 2.96Å; A283-M292 HydrophobicContact CB-CB 4.26Å; A283-M292 HydrophobicContact CB-SD 4.3Å
284	P	81.8	Confident	86.2	Confident	37 Å²	37	25 Å²	25	24%	0.24	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-12.9	175.7	-25.4	32.2	0	0	0	114.7	K122 R128	K122-P284 HydrophobicContact CB-CB 4.07Å; K122-P284 HydrophobicContact CD-CB 4.14Å; R128-P284 VanDerWaalsContact NH2-C 3.34Å; R128-P284 PolarHBondContact NH2-O 3.23Å
285	R	86.9	Confident	86.3	Confident	76 Å²	76	26 Å²	26	29%	0.287	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-10.5	177	-61.1	-175.5	-174.9	-79.2	-4	113.4	Y121 K122 D123 V193 N194 A283	Y121-R285 WeakPolarHBondContact CE2-O 3.43Å; Y121-R285 PolarHBondContact OH-O 2.81Å; K122-R285 HydrophobicContact CD-CG 4.34Å; D123-R285 IonicContact OD2-CZ 2.91Å; D123-R285 VanDerWaalsContact OD2-CZ 3.25Å; D123-R285 IonicContact OD2-NH1 2.96Å; D123-R285 PolarHBondContact OD2-NH1 2.69Å; D123-R285 IonicContact OD2-NH2 3.59Å; D123-R285 PolarHBondContact OD2-NH2 3.32Å; V193-R285 HydrophobicContact CG2-CB 3.65Å; V193-R285 HydrophobicContact CG2-CG 3.63Å; N194-R285 PolarHBondContact ND2-O 3.09Å; A283-R285 PolarHBondContact O-N 2.81Å
286	N	91	Very high	86.2	Confident	1 Å²	1	21.5 Å²	21.5	1%	0.005	12%	0.116	C	C	.	.			trans	-68.5	143	-177.8	-68.7	0.9	0	0	0	111.6	R128 H181 I281 A283 A290 W291 M292	R128-N286 VanDerWaalsContact CZ-O 3.23Å; R128-N286 PolarHBondContact NH1-O 2.76Å; R128-N286 PolarHBondContact NH2-O 2.99Å; H181-N286 PolarHBondContact NE2-ND2 3.03Å; I281-N286 PolarHBondContact O-ND2 2.92Å; A283-N286 PolarHBondContact N-ND2 2.85Å; A283-N286 VanDerWaalsContact N-ND2 3.18Å; A283-N286 WeakPolarHBondContact O-CB 3.4Å; A283-N286 PolarHBondContact O-N 2.96Å; N286-A290 CarbonylContact C-O 3.54Å; N286-A290 WeakPolarHBondContact CA-O 3.14Å; N286-W291 HydrophobicContact CB-CB 4.35Å; N286-W291 WeakPolarHBondContact OD1-CA 3.42Å; N286-M292 PolarHBondContact OD1-N 2.84Å
287	T	92.1	Very high	86.5	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.11	C	C	.	.			trans	-124.4	173.4	172.1	68.2	0	0	0	0	108.3	Y121 T186 M188 G190 N289 A290	Y121-T287 HydrophobicContact CE2-CG2 3.97Å; T186-T287 VanDerWaalsContact OG1-CA 3.25Å; T186-T287 WeakPolarHBondContact OG1-CA 3.37Å; M188-T287 HydrophobicContact CB-CG2 4.17Å; M188-T287 HydrophobicContact CG-CG2 3.81Å; M188-T287 CarbonylContact O-C 3.51Å; M188-T287 WeakPolarHBondContact O-CA 3.38Å; M188-T287 VanDerWaalsContact O-CB 3.32Å; M188-T287 WeakPolarHBondContact O-CB 3.43Å; G190-T287 WeakPolarHBondContact O-CB 3.48Å; G190-T287 PolarHBondContact O-OG1 2.81Å; T287-N289 PolarHBondContact O-N 2.87Å; T287-N289 VanDerWaalsContact O-N 3.09Å; T287-N289 PolarHBondContact OG1-N 3.14Å; T287-A290 PolarHBondContact N-O 2.74Å; T287-A290 PolarHBondContact O-N 2.76Å; T287-A290 PolarHBondContact OG1-N 2.82Å; T287-A290 PolarHBondContact OG1-O 2.84Å
288	D	92.5	Very high	86.6	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-58.3	-23.7	173.7	-66.2	-2.2	0	0	0	111.5	W138 Y145 P175 R180 H181 T186 M188 R189	W138-D288 HydrophobicContact CH2-CB 4.14Å; W138-D288 HydrophobicContact CZ2-CB 4.16Å; Y145-D288 WeakPolarHBondContact CE1-OD2 3.2Å; Y145-D288 PolarHBondContact OH-OD1 2.85Å; Y145-D288 PolarHBondContact OH-OD2 3.41Å; Y145-D288 VanDerWaalsContact OH-OD2 3.08Å; P175-D288 HydrophobicContact CG-CB 4.32Å; R180-D288 CarbonylContact C-O 3.46Å; H181-D288 PolarHBondContact N-O 2.8Å; T186-D288 WeakPolarHBondContact CA-OD1 3.27Å; T186-D288 WeakPolarHBondContact CB-OD1 3.26Å; T186-D288 PolarHBondContact N-OD1 2.86Å; T186-D288 PolarHBondContact OG1-N 2.78Å; T186-D288 PolarHBondContact OG1-OD1 2.72Å; M188-D288 WeakPolarHBondContact O-CB 3.49Å; M188-D288 PolarHBondContact O-N 3.45Å; R189-D288 HydrophobicContact CG-CB 4.1Å; R189-D288 WeakPolarHBondContact CG-OD2 3.45Å
289	N	92.3	Very high	86.6	Confident	19 Å²	19	17.9 Å²	17.9	10%	0.102	9%	0.09	C	C	.	.	S	Bend	trans	-116	-9.7	-172.5	-50.9	113.3	0	0	0	115.2	P175 L179 R189 G190 L197 G198 T287	P175-N289 WeakPolarHBondContact CB-ND2 3.23Å; P175-N289 VanDerWaalsContact CG-ND2 3.3Å; P175-N289 WeakPolarHBondContact CG-ND2 3.33Å; L179-N289 WeakPolarHBondContact O-CA 3.4Å; R189-N289 WeakPolarHBondContact CA-OD1 3.23Å; G190-N289 PolarHBondContact N-OD1 2.87Å; L197-N289 CarbonylContact C-O 3.51Å; L197-N289 WeakPolarHBondContact CA-O 3.27Å; L197-N289 HydrophobicContact CD2-CB 3.8Å; G198-N289 PolarHBondContact N-O 2.74Å; T287-N289 PolarHBondContact O-N 2.87Å; T287-N289 VanDerWaalsContact O-N 3.09Å; T287-N289 PolarHBondContact OG1-N 3.14Å
290	A	92.1	Very high	86.3	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	127.6	-177.2	0	0	0	0	0	110.8	N194 G198 N286 T287	N194-A290 HydrophobicContact CB-CB 4.1Å; G198-A290 WeakPolarHBondContact O-CA 3.47Å; N286-A290 CarbonylContact C-O 3.54Å; N286-A290 WeakPolarHBondContact CA-O 3.14Å; T287-A290 PolarHBondContact N-O 2.74Å; T287-A290 PolarHBondContact O-N 2.76Å; T287-A290 PolarHBondContact OG1-N 2.82Å; T287-A290 PolarHBondContact OG1-O 2.84Å
291	W	92.1	Very high	86	Confident	22 Å²	22	20.7 Å²	20.7	8%	0.083	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	164.7	-177.6	57.5	90.8	0	0	0	112	H181 G198 N200 N286 D293	H181-W291 HydrophobicContact CB-CE3 4.27Å; H181-W291 VanDerWaalsContact CD2-CB 3.47Å; H181-W291 WeakPolarHBondContact CD2-CB 3.36Å; G198-W291 PolarHBondContact O-N 2.77Å; N200-W291 WeakPolarHBondContact CB-O 3.5Å; N200-W291 PolarHBondContact N-O 2.87Å; N200-W291 PolarHBondContact ND2-O 2.74Å; N286-W291 HydrophobicContact CB-CB 4.35Å; N286-W291 WeakPolarHBondContact OD1-CA 3.42Å; W291-D293 VanDerWaalsContact CD1-OD1 3.24Å; W291-D293 PolarHBondContact NE1-OD1 2.8Å; W291-D293 VanDerWaalsContact NE1-OD1 3.16Å
292	M	90.1	Very high	85.6	Confident	13 Å²	13	24.1 Å²	24.1	6%	0.064	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	124.9	177.3	-174.1	168.5	172.4	0	0	110.3	H202 L234 I281 A283 N286 L294	H202-M292 HydrophobicContact CB-CE 3.51Å; H202-M292 HydrophobicContact CB-CG 4.48Å; L234-M292 HydrophobicContact CD1-CE 4.01Å; L234-M292 HydrophobicContact CD2-CE 3.94Å; L234-M292 HydrophobicContact CG-CE 4.46Å; I281-M292 HydrophobicContact CD1-CB 4.34Å; I281-M292 HydrophobicContact CD1-CE 3.97Å; I281-M292 HydrophobicContact CD1-CG 3.87Å; I281-M292 HydrophobicContact CD1-SD 3.76Å; I281-M292 HydrophobicContact CG1-CB 4Å; I281-M292 HydrophobicContact CG1-CG 3.94Å; I281-M292 WeakPolarHBondContact CG1-O 3.43Å; I281-M292 HydrophobicContact CG1-SD 4.43Å; I281-M292 PolarHBondContact N-O 3.46Å; A283-M292 HydrophobicContact CB-CB 4.26Å; A283-M292 HydrophobicContact CB-SD 4.3Å; N286-M292 PolarHBondContact OD1-N 2.84Å; M292-L294 HydrophobicContact CE-CD1 3.97Å
293	D	89.4	Confident	85.5	Confident	27 Å²	27	30.3 Å²	30.3	14%	0.144	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	119.9	167	-61.6	-39.1	0	0	0	108.1	G199 N200 A201 H202 G279 W291 Y295	G199-D293 WeakPolarHBondContact CA-OD2 3.49Å; N200-D293 PolarHBondContact O-N 2.88Å; A201-D293 CarbonylContact C-O 3.54Å; A201-D293 WeakPolarHBondContact CA-O 3.18Å; H202-D293 PolarHBondContact N-O 2.78Å; G279-D293 CarbonylContact O-C 3.6Å; G279-D293 WeakPolarHBondContact O-CA 3.12Å; W291-D293 VanDerWaalsContact CD1-OD1 3.24Å; W291-D293 PolarHBondContact NE1-OD1 2.8Å; W291-D293 VanDerWaalsContact NE1-OD1 3.16Å; D293-Y295 HydrophobicContact CB-CE2 3.72Å
294	L	86.6	Confident	85	Confident	7 Å²	7	33 Å²	33	4%	0.037	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	130.1	-179.7	-172.4	69.8	0	0	0	110.5	H202 H204 L234 Y277 G278 G279 I281 M292 M384	H202-L294 HydrophobicContact CB-CD1 4.49Å; H204-L294 HydrophobicContact CB-CD1 3.86Å; H204-L294 HydrophobicContact CB-CG 4.48Å; L234-L294 HydrophobicContact CD1-CD1 3.65Å; Y277-L294 HydrophobicContact CD1-CB 4.47Å; Y277-L294 VanDerWaalsContact CD1-O 3.23Å; Y277-L294 WeakPolarHBondContact CD1-O 3.24Å; Y277-L294 HydrophobicContact CE1-CB 4.32Å; Y277-L294 WeakPolarHBondContact CE1-O 3.41Å; G278-L294 VanDerWaalsContact CA-O 3.3Å; G278-L294 WeakPolarHBondContact CA-O 3.49Å; G279-L294 PolarHBondContact N-O 3.28Å; G279-L294 PolarHBondContact O-N 3.28Å; I281-L294 HydrophobicContact CB-CB 4.47Å; I281-L294 HydrophobicContact CD1-CB 3.77Å; I281-L294 HydrophobicContact CD1-CD2 4.17Å; I281-L294 HydrophobicContact CD1-CG 4.38Å; I281-L294 HydrophobicContact CG1-CB 3.95Å; I281-L294 HydrophobicContact CG2-CB 3.68Å; I281-L294 HydrophobicContact CG2-CD2 4.26Å; M292-L294 HydrophobicContact CE-CD1 3.97Å; L294-M384 HydrophobicContact CD2-CE 4.25Å
295	Y	85.8	Confident	84.6	Confident	65 Å²	65	31.4 Å²	31.4	26%	0.255	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	108.6	173.2	-61.9	-91	0	0	0	109	A201 H202 H203 H204 Y277 D293 H297	A201-Y295 HydrophobicContact CB-CD2 4.09Å; A201-Y295 HydrophobicContact CB-CE2 3.67Å; H202-Y295 PolarHBondContact O-N 2.89Å; H203-Y295 CarbonylContact C-O 3.6Å; H203-Y295 VanDerWaalsContact CA-O 3.27Å; H203-Y295 WeakPolarHBondContact CA-O 3.44Å; H204-Y295 PolarHBondContact N-O 3Å; Y277-Y295 WeakPolarHBondContact O-CA 3.41Å; D293-Y295 HydrophobicContact CB-CE2 3.72Å; Y295-H297 PolarHBondContact O-CD2 2.77Å
296	S	80.6	Confident	83.7	Confident	9 Å²	9	34.2 Å²	34.2	6%	0.063	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128.3	-178.9	-60	0	0	0	0	110.1	H204 L276 Y277	H204-S296 CarbonylContact O-C 3.47Å; H204-S296 WeakPolarHBondContact O-CA 3.46Å; L276-S296 PolarHBondContact N-O 3.19Å; Y277-S296 PolarHBondContact N-O 3.15Å; Y277-S296 PolarHBondContact O-N 3.06Å
297	H	83	Confident	82.4	Confident	18 Å²	18	40.7 Å²	40.7	8%	0.083	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	145.4	-177.8	-61.4	-99.3	0	0	0	111.2	H203 H204 L205 L206 F270 S273 T274 Y295	H203-H297 AromaticContact CE1-NE2 3.85Å; H203-H297 AromaticContact ND1-CD2 3.6Å; H203-H297 AromaticContact ND1-NE2 3.17Å; H203-H297 PolarHBondContact ND1-NE2 3.02Å; H203-H297 VanDerWaalsContact ND1-NE2 3.17Å; H204-H297 PolarHBondContact O-N 2.96Å; L205-H297 HydrophobicContact CD2-CB 3.87Å; L206-H297 PolarHBondContact N-O 3.08Å; F270-H297 AromaticContact CD1-CE1 3.84Å; F270-H297 AromaticContact CD1-ND1 3.84Å; F270-H297 AromaticContact CE1-CD2 3.8Å; F270-H297 AromaticContact CE1-NE2 3.88Å; S273-H297 PolarHBondContact OG-ND1 2.88Å; S273-H297 VanDerWaalsContact OG-ND1 3.12Å; T274-H297 CarbonylContact O-C 3.44Å; T274-H297 WeakPolarHBondContact O-CA 3.27Å; Y295-H297 PolarHBondContact O-CD2 2.77Å
298	V	82	Confident	81.1	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.5	169.6	-174.9	0	0	0	0	109.6	L206 L208 S273 T274 L276 L356	L206-V298 HydrophobicContact CB-CG2 4.15Å; L206-V298 HydrophobicContact CD2-CG1 4.28Å; L206-V298 HydrophobicContact CD2-CG2 3.99Å; L206-V298 HydrophobicContact CG-CG1 4.46Å; L206-V298 WeakPolarHBondContact O-CA 3.48Å; L208-V298 HydrophobicContact CD1-CG1 4.43Å; S273-V298 WeakPolarHBondContact CA-O 3.1Å; S273-V298 WeakPolarHBondContact CB-O 3.09Å; T274-V298 PolarHBondContact N-O 3.45Å; T274-V298 PolarHBondContact O-N 3.33Å; L276-V298 HydrophobicContact CD1-CG2 3.33Å; L276-V298 HydrophobicContact CD2-CG2 4.1Å; L276-V298 HydrophobicContact CG-CG2 3.64Å; V298-L356 HydrophobicContact CB-CD1 4.29Å; V298-L356 HydrophobicContact CB-CD2 4.12Å; V298-L356 HydrophobicContact CG1-CD1 3.93Å; V298-L356 HydrophobicContact CG1-CD2 4.09Å; V298-L356 HydrophobicContact CG2-CD2 3.7Å
299	I	82.4	Confident	79.7	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	114.3	175.8	-52.9	166.9	0	0	0	107	L205 L206 V207 L208 V269 L305	L205-I299 HydrophobicContact CD1-CD1 4.25Å; L205-I299 HydrophobicContact CD2-CD1 4.33Å; L206-I299 PolarHBondContact O-N 2.77Å; V207-I299 WeakPolarHBondContact CA-O 3.43Å; V207-I299 HydrophobicContact CG1-CB 4.43Å; V207-I299 HydrophobicContact CG2-CD1 4.26Å; L208-I299 PolarHBondContact N-O 3.39Å; V269-I299 HydrophobicContact CG1-CD1 3.54Å; V269-I299 HydrophobicContact CG1-CG1 4.09Å; V269-I299 HydrophobicContact CG1-CG2 4.09Å; I299-L305 HydrophobicContact CG2-CD2 3.72Å; I299-L305 HydrophobicContact CG2-CG 4.3Å
300	S	80.3	Confident	78.5	Confident	43 Å²	43	51.2 Å²	51.2	30%	0.301	24%	0.243	S	C	.	.			trans	-134.7	1.3	-179.4	55.3	0	0	0	0	113.7	L208 E302	L208-S300 WeakPolarHBondContact O-CA 3.19Å; S300-E302 PolarHBondContact O-N 3.41Å
301	D	77.4	Confident	76.9	Confident	71 Å²	71	52.1 Å²	52.1	38%	0.38	25%	0.252	S	S	.	.			trans	-78.4	107.9	179.8	-175.1	-17.8	0	0	0	109.7	K303 Y304 L305	D301-K303 PolarHBondContact O-N 2.83Å; D301-K303 VanDerWaalsContact O-N 3.12Å; D301-K303 VanDerWaalsContact OD1-CB 3.24Å; D301-K303 WeakPolarHBondContact OD1-CB 3.02Å; D301-K303 PolarHBondContact OD1-N 2.86Å; D301-K303 VanDerWaalsContact OD1-N 3.12Å; D301-Y304 HydrophobicContact CB-CD2 3.89Å; D301-Y304 HydrophobicContact CB-CE2 4.42Å; D301-Y304 PolarHBondContact O-N 3.26Å; D301-Y304 WeakPolarHBondContact OD2-CE2 3.28Å; D301-L305 WeakPolarHBondContact O-CG 3.3Å
302	E	75.2	Confident	75.5	Confident	73 Å²	73	55.6 Å²	55.6	34%	0.341	29%	0.286	S	S	.	.	H	α-helix	trans	-53.1	-32.7	-176.4	-72.4	174.1	-170.4	0	0	112.4	K210 S300 Y304 L305 E306	K210-E302 WeakPolarHBondContact CD-OE1 3.32Å; K210-E302 WeakPolarHBondContact CE-OE1 3.41Å; K210-E302 WeakPolarHBondContact CG-OE1 3.48Å; K210-E302 IonicContact NZ-OE1 2.71Å; K210-E302 PolarHBondContact NZ-OE1 3.15Å; S300-E302 PolarHBondContact O-N 3.41Å; E302-Y304 PolarHBondContact O-N 2.95Å; E302-L305 PolarHBondContact O-N 3.01Å; E302-E306 WeakPolarHBondContact O-CG 3.2Å; E302-E306 PolarHBondContact O-N 3.01Å
303	K	78.7	Confident	74.4	Confident	144 Å²	144	57.7 Å²	57.7	63%	0.626	30%	0.297	S	S	*	.	H	α-helix	trans	-53.7	-35.1	177.9	-176.9	-176.3	176.3	-175.9	0	113	D301	D301-K303 PolarHBondContact O-N 2.83Å; D301-K303 VanDerWaalsContact O-N 3.12Å; D301-K303 VanDerWaalsContact OD1-CB 3.24Å; D301-K303 WeakPolarHBondContact OD1-CB 3.02Å; D301-K303 PolarHBondContact OD1-N 2.86Å; D301-K303 VanDerWaalsContact OD1-N 3.12Å
304	Y	73.8	Confident	73.6	Confident	64 Å²	64	56.6 Å²	56.6	25%	0.251	29%	0.292	S	S	.	.	H	α-helix	trans	-92.9	-16.9	-179.8	-63.2	-80.4	0	0	0	113	D268 V269 A272 D301 E302	D268-Y304 HydrophobicContact CB-CE1 3.92Å; V269-Y304 HydrophobicContact CG2-CD1 3.61Å; V269-Y304 HydrophobicContact CG2-CE1 4.4Å; V269-Y304 HydrophobicContact CG2-CG 3.98Å; A272-Y304 HydrophobicContact CB-CD2 3.93Å; A272-Y304 HydrophobicContact CB-CE2 3.36Å; D301-Y304 HydrophobicContact CB-CD2 3.89Å; D301-Y304 HydrophobicContact CB-CE2 4.42Å; D301-Y304 PolarHBondContact O-N 3.26Å; D301-Y304 WeakPolarHBondContact OD2-CE2 3.28Å; E302-Y304 PolarHBondContact O-N 2.95Å
305	L	73.4	Confident	73.1	Confident	3 Å²	3	57.6 Å²	57.6	2%	0.016	30%	0.297	C	S	.	.	H	α-helix	trans	-97.8	-28.8	-171.2	-59.9	179.4	0	0	0	113.7	V207 L208 R209 I299 D301 E302 N307 I308	V207-L305 HydrophobicContact CG1-CD1 4.3Å; V207-L305 HydrophobicContact CG1-CD2 3.36Å; V207-L305 HydrophobicContact CG1-CG 4.48Å; L208-L305 WeakPolarHBondContact O-CD1 3.27Å; R209-L305 HydrophobicContact CB-CB 4.31Å; R209-L305 HydrophobicContact CB-CD1 4.07Å; I299-L305 HydrophobicContact CG2-CD2 3.72Å; I299-L305 HydrophobicContact CG2-CG 4.3Å; D301-L305 WeakPolarHBondContact O-CG 3.3Å; E302-L305 PolarHBondContact O-N 3.01Å; L305-N307 PolarHBondContact O-N 2.74Å; L305-N307 VanDerWaalsContact O-N 3.15Å; L305-I308 HydrophobicContact CB-CD1 4.35Å; L305-I308 HydrophobicContact CD2-CD1 3.41Å; L305-I308 VanDerWaalsContact CD2-CD1 3.41Å; L305-I308 HydrophobicContact CG-CD1 4.45Å; L305-I308 WeakPolarHBondContact O-CB 3.2Å; L305-I308 PolarHBondContact O-N 3.43Å
306	E	67	Low	72.9	Confident	136 Å²	136	55 Å²	55	64%	0.636	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-32.5	-179.1	-77.9	170.7	-166.2	0	0	113.2	E302	E302-E306 WeakPolarHBondContact O-CG 3.2Å; E302-E306 PolarHBondContact O-N 3.01Å
307	N	63	Low	73.1	Confident	137 Å²	137	56 Å²	56	73%	0.733	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-2.8	-178	-66.3	-50.3	0	0	0	114.1	L305 K309	L305-N307 PolarHBondContact O-N 2.74Å; L305-N307 VanDerWaalsContact O-N 3.15Å; N307-K309 PolarHBondContact O-N 3.43Å; N307-K309 VanDerWaalsContact O-N 3.12Å
308	I	64.9	Low	73.1	Confident	8 Å²	8	56.1 Å²	56.1	4%	0.041	29%	0.293	C	S	.	.			trans	-85.6	91.2	-178.4	-50.5	171.3	0	0	0	109.1	F242 L305 W318	F242-I308 HydrophobicContact CD1-CG1 4.48Å; F242-I308 HydrophobicContact CD1-CG2 4.29Å; F242-I308 HydrophobicContact CE1-CB 4.1Å; F242-I308 HydrophobicContact CE1-CD1 3.27Å; F242-I308 HydrophobicContact CE1-CG1 3.42Å; F242-I308 VanDerWaalsContact CE1-CG1 3.42Å; F242-I308 HydrophobicContact CE1-CG2 3.6Å; F242-I308 HydrophobicContact CZ-CD1 3.27Å; F242-I308 HydrophobicContact CZ-CG1 3.93Å; L305-I308 HydrophobicContact CB-CD1 4.35Å; L305-I308 HydrophobicContact CD2-CD1 3.41Å; L305-I308 VanDerWaalsContact CD2-CD1 3.41Å; L305-I308 HydrophobicContact CG-CD1 4.45Å; L305-I308 WeakPolarHBondContact O-CB 3.2Å; L305-I308 PolarHBondContact O-N 3.43Å; I308-W318 HydrophobicContact CG2-CZ2 4.46Å
309	K	63.7	Low	73.2	Confident	172 Å²	172	58.6 Å²	58.6	75%	0.748	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-97.3	120.4	165.7	-62.9	-172.8	-179.8	-175.8	0	108.1	N307	N307-K309 PolarHBondContact O-N 3.43Å; N307-K309 VanDerWaalsContact O-N 3.12Å
310	H	66.2	Low	73.1	Confident	59 Å²	59	61 Å²	61	27%	0.273	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-75.3	135.9	174	61.6	59.9	0	0	0	109.9	A245 W318	A245-H310 WeakPolarHBondContact O-CA 3.24Å; A245-H310 WeakPolarHBondContact O-CB 3.15Å; H310-W318 AromaticContact CD2-CD1 3.39Å; H310-W318 AromaticContact CD2-NE1 3.79Å; H310-W318 AromaticContact NE2-CD1 3.64Å
311	G	59.3	Low	72.8	Confident	19 Å²	19	60.8 Å²	60.8	20%	0.196	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-60.4	157	171.3	0	0	0	0	0	111.3	L246 D313 S314	L246-G311 WeakPolarHBondContact O-CA 3.3Å; L246-G311 PolarHBondContact O-N 3.37Å; G311-D313 PolarHBondContact O-N 3.04Å; G311-S314 VanDerWaalsContact O-CB 3.23Å; G311-S314 WeakPolarHBondContact O-CB 3.17Å; G311-S314 PolarHBondContact O-N 2.95Å
312	A	63.6	Low	72.5	Confident	96 Å²	96	61.4 Å²	61.4	79%	0.793	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.8	172.6	0	0	0	0	0	112.2
313	D	65.9	Low	72.2	Confident	57 Å²	57	65.5 Å²	65.5	31%	0.305	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	11	174.8	63.5	-33.8	0	0	0	113.4	G247 I248 R249 G311	G247-D313 WeakPolarHBondContact CA-OD1 3.15Å; I248-D313 PolarHBondContact N-OD2 3.26Å; I248-D313 VanDerWaalsContact N-OD2 3.13Å; R249-D313 PolarHBondContact N-OD2 3.37Å; G311-D313 PolarHBondContact O-N 3.04Å
314	S	72.4	Confident	71.7	Confident	4 Å²	4	63.6 Å²	63.6	3%	0.028	34%	0.338	C	S	.	.			trans	-73.7	136.7	175.6	-178.5	0	0	0	0	112.2	R222 H244 A245 G311 F316	R222-S314 PolarHBondContact NE-O 3.05Å; H244-S314 PolarHBondContact O-OG 3.21Å; A245-S314 WeakPolarHBondContact CA-OG 3.43Å; A245-S314 WeakPolarHBondContact O-CB 3.37Å; A245-S314 PolarHBondContact O-OG 3.39Å; G311-S314 VanDerWaalsContact O-CB 3.23Å; G311-S314 WeakPolarHBondContact O-CB 3.17Å; G311-S314 PolarHBondContact O-N 2.95Å; S314-F316 PolarHBondContact O-N 2.84Å; S314-F316 VanDerWaalsContact O-N 3.15Å; S314-F316 PolarHBondContact OG-N 2.83Å; S314-F316 VanDerWaalsContact OG-N 3.1Å
315	D	75.9	Confident	71.2	Confident	28 Å²	28	61.3 Å²	61.3	15%	0.15	33%	0.331	C	S	.	.	S	Bend	trans	-67.7	-3.8	170.7	-68	-35.5	0	0	0	113	R221 R222 H244	R221-D315 CarbonylContact C-O 3.52Å; R221-D315 WeakPolarHBondContact CG-O 3.49Å; R222-D315 WeakPolarHBondContact CB-O 3.47Å; R222-D315 PolarHBondContact N-O 3.46Å; H244-D315 IonicContact ND1-OD2 3.81Å; H244-D315 PolarHBondContact ND1-OD2 3.3Å
316	F	82.3	Confident	70.9	Confident	9 Å²	9	66.5 Å²	66.5	4%	0.039	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	156.8	-176.9	-60.3	-78.2	0	0	0	112.1	L219 I220 R221 P233 F235 H244 A245 S314	L219-F316 HydrophobicContact CD1-CB 4Å; L219-F316 HydrophobicContact CG-CB 4.21Å; I220-F316 CarbonylContact O-C 3.48Å; I220-F316 VanDerWaalsContact O-CA 3.29Å; I220-F316 WeakPolarHBondContact O-CA 2.93Å; R221-F316 HydrophobicContact CB-CD1 4.27Å; R221-F316 HydrophobicContact CB-CE1 4.21Å; R221-F316 HydrophobicContact CG-CD1 4.4Å; R221-F316 HydrophobicContact CG-CE1 4.17Å; P233-F316 HydrophobicContact CB-CD1 4.25Å; P233-F316 HydrophobicContact CB-CE1 3.58Å; P233-F316 HydrophobicContact CB-CZ 3.93Å; P233-F316 HydrophobicContact CG-CD1 3.84Å; P233-F316 HydrophobicContact CG-CE1 3.66Å; P233-F316 HydrophobicContact CG-CZ 4.41Å; F235-F316 AromaticContact CE1-CE2 3.79Å; F235-F316 HydrophobicContact CE1-CE2 3.79Å; F235-F316 AromaticContact CE1-CZ 3.7Å; F235-F316 HydrophobicContact CE1-CZ 3.7Å; F235-F316 HydrophobicContact CZ-CE1 4.38Å; F235-F316 AromaticContact CZ-CE2 3.67Å; F235-F316 HydrophobicContact CZ-CE2 3.67Å; F235-F316 AromaticContact CZ-CZ 3.47Å; F235-F316 HydrophobicContact CZ-CZ 3.47Å; F235-F316 VanDerWaalsContact CZ-CZ 3.47Å; H244-F316 HydrophobicContact CB-CD2 4.17Å; H244-F316 HydrophobicContact CB-CE2 3.52Å; A245-F316 HydrophobicContact CB-CD2 4.25Å; S314-F316 PolarHBondContact O-N 2.84Å; S314-F316 VanDerWaalsContact O-N 3.15Å; S314-F316 PolarHBondContact OG-N 2.83Å; S314-F316 VanDerWaalsContact OG-N 3.1Å
317	T	83.8	Confident	70.8	Confident	32 Å²	32	63.8 Å²	63.8	20%	0.196	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	157	175.2	-166.1	0	0	0	0	110.1	I220 R222 A225	I220-T317 HydrophobicContact CG1-CG2 4.13Å; I220-T317 PolarHBondContact N-O 3Å; I220-T317 PolarHBondContact O-N 2.68Å; R222-T317 HydrophobicContact CB-CG2 4.42Å; A225-T317 HydrophobicContact CB-CG2 4.02Å
318	W	84.6	Confident	70.7	Confident	20 Å²	20	61.8 Å²	61.8	8%	0.076	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	124	171	-67.1	101.6	0	0	0	109.7	V207 R209 Q217 L219 I308 H310	V207-W318 HydrophobicContact CB-CH2 4.47Å; V207-W318 HydrophobicContact CG1-CH2 3.72Å; V207-W318 HydrophobicContact CG1-CZ3 4.26Å; R209-W318 HydrophobicContact CB-CH2 4.01Å; R209-W318 HydrophobicContact CB-CZ3 3.98Å; R209-W318 HydrophobicContact CG-CD2 4.25Å; R209-W318 HydrophobicContact CG-CE3 3.74Å; R209-W318 HydrophobicContact CG-CH2 3.8Å; R209-W318 HydrophobicContact CG-CZ2 4.3Å; R209-W318 HydrophobicContact CG-CZ3 3.5Å; R209-W318 VanDerWaalsContact CZ-CE2 3.42Å; R209-W318 VanDerWaalsContact CZ-CG 3.49Å; R209-W318 VanDerWaalsContact CZ-NE1 3.29Å; R209-W318 VanDerWaalsContact NE-CD2 3.31Å; R209-W318 VanDerWaalsContact NH1-NE1 3.17Å; Q217-W318 HydrophobicContact CB-CB 4.29Å; Q217-W318 HydrophobicContact CB-CE3 3.95Å; L219-W318 HydrophobicContact CB-CD2 4.46Å; L219-W318 HydrophobicContact CB-CE3 3.99Å; L219-W318 HydrophobicContact CB-CH2 4.08Å; L219-W318 HydrophobicContact CB-CZ3 3.78Å; L219-W318 HydrophobicContact CD1-CD2 3.9Å; L219-W318 HydrophobicContact CD1-CE3 4.29Å; L219-W318 HydrophobicContact CD1-CG 4.32Å; L219-W318 HydrophobicContact CD1-CH2 4.47Å; L219-W318 HydrophobicContact CD1-CZ2 4.08Å; I308-W318 HydrophobicContact CG2-CZ2 4.46Å; H310-W318 AromaticContact CD2-CD1 3.39Å; H310-W318 AromaticContact CD2-NE1 3.79Å; H310-W318 AromaticContact NE2-CD1 3.64Å
319	L	82.8	Confident	70.5	Confident	53 Å²	53	63.2 Å²	63.2	28%	0.277	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	122.6	171.6	-175.6	69	0	0	0	109	Q217 V218 I220 F230 T325	Q217-L319 CarbonylContact C-O 3.28Å; Q217-L319 VanDerWaalsContact CA-O 3.26Å; Q217-L319 WeakPolarHBondContact CA-O 3.39Å; V218-L319 HydrophobicContact CG1-CB 4.19Å; V218-L319 PolarHBondContact N-O 2.89Å; V218-L319 PolarHBondContact O-N 3.12Å; I220-L319 HydrophobicContact CD1-CB 3.68Å; I220-L319 HydrophobicContact CD1-CD2 3.72Å; I220-L319 HydrophobicContact CD1-CG 4.16Å; I220-L319 HydrophobicContact CG1-CB 3.97Å; F230-L319 HydrophobicContact CD2-CD2 4.33Å; F230-L319 HydrophobicContact CE2-CD2 4.29Å; L319-T325 HydrophobicContact CD2-CG2 3.79Å; L319-T325 HydrophobicContact CG-CG2 4.29Å
320	S	80.7	Confident	70.5	Confident	53 Å²	53	58.9 Å²	58.9	37%	0.371	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	130.4	173.2	-64.8	0	0	0	0	110.4	Q217 N322 T325	Q217-S320 PolarHBondContact NE2-OG 2.92Å; S320-N322 VanDerWaalsContact C-N 3.29Å; S320-N322 PolarHBondContact O-N 3.44Å; S320-T325 PolarHBondContact O-OG1 3.38Å
321	I	74.4	Confident	70.2	Confident	38 Å²	38	58.8 Å²	58.8	20%	0.195	32%	0.318	C	S	.	.			trans	-82.2	81.4	175.4	-57.1	170.3	0	0	0	107	L208 K216 V218 T325 E326 L329	L208-I321 HydrophobicContact CD2-CD1 4.4Å; K216-I321 HydrophobicContact CB-CB 4.3Å; K216-I321 HydrophobicContact CB-CD1 3.97Å; K216-I321 WeakPolarHBondContact O-CB 3.38Å; K216-I321 PolarHBondContact O-N 2.87Å; V218-I321 HydrophobicContact CB-CD1 4.31Å; V218-I321 HydrophobicContact CG1-CD1 4.4Å; V218-I321 HydrophobicContact CG1-CG1 4.18Å; I321-T325 HydrophobicContact CG1-CG2 4.38Å; I321-E326 HydrophobicContact CG2-CB 4.05Å; I321-L329 HydrophobicContact CD1-CD1 4.09Å; I321-L329 HydrophobicContact CG1-CD1 4.06Å; I321-L329 HydrophobicContact CG2-CD1 3.89Å
322	N	71.9	Confident	70	Confident	84 Å²	84	59.5 Å²	59.5	45%	0.449	32%	0.317	S	S	.	.			trans	-83.6	177.6	169.5	66.4	9.8	0	0	0	110.6	S320 T324 T325 E326	S320-N322 VanDerWaalsContact C-N 3.29Å; S320-N322 PolarHBondContact O-N 3.44Å; N322-T324 VanDerWaalsContact C-N 3.26Å; N322-T324 PolarHBondContact O-N 3.07Å; N322-T324 WeakPolarHBondContact OD1-CB 3.48Å; N322-T324 PolarHBondContact OD1-N 3.22Å; N322-T325 CarbonylContact O-C 3.49Å; N322-T325 PolarHBondContact O-N 3.5Å; N322-T325 WeakPolarHBondContact OD1-CB 3.01Å; N322-T325 PolarHBondContact OD1-N 3.46Å; N322-T325 PolarHBondContact OD1-OG1 2.84Å; N322-E326 VanDerWaalsContact O-CB 3.31Å; N322-E326 WeakPolarHBondContact O-CB 3.48Å; N322-E326 PolarHBondContact O-N 3.36Å
323	K	68.4	Low	69.7	Low	159 Å²	159	57.2 Å²	57.2	69%	0.691	29%	0.291	S	S	*	.	H	α-helix	trans	-55.3	-38.8	179.5	-171	177.6	178	-175	0	112.9	E326 D327	K323-E326 CarbonylContact O-C 3.53Å; K323-E326 PolarHBondContact O-N 3.21Å; K323-D327 WeakPolarHBondContact O-CB 3.36Å; K323-D327 PolarHBondContact O-N 2.79Å
324	T	67.5	Low	69.5	Low	105 Å²	105	58 Å²	58	64%	0.644	29%	0.293	S	S	*	.	H	α-helix	trans	-64.9	-41.3	175.6	-48.5	0	0	0	0	112.4	N322 Y328	N322-T324 VanDerWaalsContact C-N 3.26Å; N322-T324 PolarHBondContact O-N 3.07Å; N322-T324 WeakPolarHBondContact OD1-CB 3.48Å; N322-T324 PolarHBondContact OD1-N 3.22Å; T324-Y328 WeakPolarHBondContact O-CB 3.18Å; T324-Y328 PolarHBondContact O-N 2.86Å
325	T	64.2	Low	68.6	Low	15 Å²	15	62 Å²	62	9%	0.092	31%	0.31	C	S	.	.	H	α-helix	trans	-74.5	-33.4	178	-52.4	0	0	0	0	110.5	L319 S320 I321 N322 L329	L319-T325 HydrophobicContact CD2-CG2 3.79Å; L319-T325 HydrophobicContact CG-CG2 4.29Å; S320-T325 PolarHBondContact O-OG1 3.38Å; I321-T325 HydrophobicContact CG1-CG2 4.38Å; N322-T325 CarbonylContact O-C 3.49Å; N322-T325 PolarHBondContact O-N 3.5Å; N322-T325 WeakPolarHBondContact OD1-CB 3.01Å; N322-T325 PolarHBondContact OD1-N 3.46Å; N322-T325 PolarHBondContact OD1-OG1 2.84Å; T325-L329 HydrophobicContact CG2-CD1 4.2Å; T325-L329 HydrophobicContact CG2-CG 4.39Å; T325-L329 WeakPolarHBondContact O-CB 3.25Å; T325-L329 WeakPolarHBondContact O-CG 3.33Å; T325-L329 PolarHBondContact O-N 3.4Å
326	E	65.4	Low	67.2	Low	113 Å²	113	63.4 Å²	63.4	53%	0.528	32%	0.317	S	S	.	.	H	α-helix	trans	-69	-44.8	173.3	-169.2	170.5	-158.5	0	0	109.7	I321 N322 K323 Y328 L329 K330	I321-E326 HydrophobicContact CG2-CB 4.05Å; N322-E326 VanDerWaalsContact O-CB 3.31Å; N322-E326 WeakPolarHBondContact O-CB 3.48Å; N322-E326 PolarHBondContact O-N 3.36Å; K323-E326 CarbonylContact O-C 3.53Å; K323-E326 PolarHBondContact O-N 3.21Å; E326-Y328 VanDerWaalsContact C-N 3.32Å; E326-Y328 PolarHBondContact O-N 3.14Å; E326-L329 CarbonylContact O-C 3.55Å; E326-L329 PolarHBondContact O-N 2.92Å; E326-K330 WeakPolarHBondContact O-CA 2.94Å; E326-K330 WeakPolarHBondContact O-CB 3.41Å; E326-K330 PolarHBondContact O-N 3.4Å
327	D	66	Low	65.8	Low	79 Å²	79	63.6 Å²	63.6	42%	0.422	32%	0.317	S	S	.	.	H	α-helix	trans	-63.9	-36.9	173.5	-73.6	-24.1	0	0	0	111.1	K323 K330 D331	K323-D327 WeakPolarHBondContact O-CB 3.36Å; K323-D327 PolarHBondContact O-N 2.79Å; D327-K330 CarbonylContact O-C 3.6Å; D327-K330 WeakPolarHBondContact O-CB 2.98Å; D327-K330 PolarHBondContact O-N 3.07Å; D327-D331 WeakPolarHBondContact O-CB 3.37Å; D327-D331 PolarHBondContact O-N 2.78Å
328	Y	60.2	Low	64.7	Low	94 Å²	94	63.4 Å²	63.4	37%	0.369	32%	0.316	S	S	.	.	H	α-helix	trans	-72.2	-41.4	173.8	-180	-101.2	0	0	0	112	F230 T324 E326 K330 D331 I332	F230-Y328 HydrophobicContact CB-CE1 3.71Å; F230-Y328 HydrophobicContact CD2-CE1 4.33Å; F230-Y328 HydrophobicContact CG-CE1 4.27Å; T324-Y328 WeakPolarHBondContact O-CB 3.18Å; T324-Y328 PolarHBondContact O-N 2.86Å; E326-Y328 VanDerWaalsContact C-N 3.32Å; E326-Y328 PolarHBondContact O-N 3.14Å; Y328-K330 PolarHBondContact O-N 2.73Å; Y328-D331 PolarHBondContact O-N 2.71Å; Y328-I332 HydrophobicContact CD1-CD1 3.66Å; Y328-I332 HydrophobicContact CD1-CG1 4.39Å; Y328-I332 HydrophobicContact CE1-CD1 3.13Å; Y328-I332 HydrophobicContact CE1-CG1 4.06Å; Y328-I332 HydrophobicContact CE2-CD1 4.41Å; Y328-I332 HydrophobicContact CG-CD1 4.49Å; Y328-I332 WeakPolarHBondContact O-CB 3.34Å; Y328-I332 VanDerWaalsContact O-CG1 3.25Å; Y328-I332 WeakPolarHBondContact O-CG1 3.29Å; Y328-I332 PolarHBondContact O-N 2.77Å
329	L	60.4	Low	63.7	Low	39 Å²	39	65.5 Å²	65.5	20%	0.204	34%	0.338	C	S	.	.	H	α-helix	trans	-65	-35.3	171.5	-76.3	171.4	0	0	0	110.2	F230 I321 T325 E326 I332 L333	F230-L329 HydrophobicContact CE1-CD2 4.34Å; F230-L329 HydrophobicContact CE2-CD2 4Å; F230-L329 HydrophobicContact CZ-CD2 3.82Å; I321-L329 HydrophobicContact CD1-CD1 4.09Å; I321-L329 HydrophobicContact CG1-CD1 4.06Å; I321-L329 HydrophobicContact CG2-CD1 3.89Å; T325-L329 HydrophobicContact CG2-CD1 4.2Å; T325-L329 HydrophobicContact CG2-CG 4.39Å; T325-L329 WeakPolarHBondContact O-CB 3.25Å; T325-L329 WeakPolarHBondContact O-CG 3.33Å; T325-L329 PolarHBondContact O-N 3.4Å; E326-L329 CarbonylContact O-C 3.55Å; E326-L329 PolarHBondContact O-N 2.92Å; L329-I332 CarbonylContact O-C 3.54Å; L329-I332 PolarHBondContact O-N 2.8Å; L329-L333 VanDerWaalsContact O-CB 3.27Å; L329-L333 WeakPolarHBondContact O-CB 2.88Å; L329-L333 WeakPolarHBondContact O-CG 3.31Å; L329-L333 PolarHBondContact O-N 2.96Å
330	K	63.5	Low	62.8	Low	81 Å²	81	68.9 Å²	68.9	35%	0.352	35%	0.353	S	S	.	.	H	α-helix	trans	-68.3	-45.8	176.7	-167.6	-169	178.6	-158.1	0	109.7	E326 D327 Y328 L333 E334 M346	E326-K330 WeakPolarHBondContact O-CA 2.94Å; E326-K330 WeakPolarHBondContact O-CB 3.41Å; E326-K330 PolarHBondContact O-N 3.4Å; D327-K330 CarbonylContact O-C 3.6Å; D327-K330 WeakPolarHBondContact O-CB 2.98Å; D327-K330 PolarHBondContact O-N 3.07Å; Y328-K330 PolarHBondContact O-N 2.73Å; K330-L333 CarbonylContact O-C 3.3Å; K330-L333 PolarHBondContact O-N 3.31Å; K330-L333 VanDerWaalsContact O-N 3.13Å; K330-E334 WeakPolarHBondContact CE-OE1 3.2Å; K330-E334 HydrophobicContact CG-CG 4.41Å; K330-E334 IonicContact NZ-OE1 3.28Å; K330-E334 VanDerWaalsContact O-CB 3.26Å; K330-E334 WeakPolarHBondContact O-CB 3.39Å; K330-E334 VanDerWaalsContact O-CG 3.31Å; K330-E334 WeakPolarHBondContact O-CG 3.37Å; K330-E334 PolarHBondContact O-N 3.14Å; K330-M346 HydrophobicContact CD-SD 3.84Å; K330-M346 WeakPolarHBondContact CE-SD 3.49Å; K330-M346 HydrophobicContact CG-CG 4.07Å; K330-M346 HydrophobicContact CG-SD 3.2Å; K330-M346 WeakPolarHBondContact CG-SD 3.27Å
331	D	61.4	Low	61.8	Low	57 Å²	57	66.9 Å²	66.9	31%	0.305	34%	0.338	S	S	.	.	H	α-helix	trans	-60.9	-46	172.8	178.9	60	0	0	0	109.7	D327 Y328 L333 E334 K335	D327-D331 WeakPolarHBondContact O-CB 3.37Å; D327-D331 PolarHBondContact O-N 2.78Å; Y328-D331 PolarHBondContact O-N 2.71Å; D331-L333 VanDerWaalsContact C-N 3.34Å; D331-L333 PolarHBondContact O-N 3.46Å; D331-E334 CarbonylContact O-C 3.55Å; D331-E334 PolarHBondContact O-N 2.79Å; D331-K335 VanDerWaalsContact CG-NZ 3.29Å; D331-K335 WeakPolarHBondContact O-CA 3.34Å; D331-K335 WeakPolarHBondContact O-CB 3.25Å; D331-K335 WeakPolarHBondContact O-CG 3.37Å; D331-K335 PolarHBondContact O-N 3.04Å; D331-K335 WeakPolarHBondContact OD1-CE 3.39Å; D331-K335 IonicContact OD1-NZ 2.66Å; D331-K335 PolarHBondContact OD1-NZ 2.71Å; D331-K335 VanDerWaalsContact OD1-NZ 3.1Å; D331-K335 WeakPolarHBondContact OD2-CD 3.47Å; D331-K335 WeakPolarHBondContact OD2-CE 3.49Å; D331-K335 IonicContact OD2-NZ 3.05Å; D331-K335 PolarHBondContact OD2-NZ 3.07Å
332	I	54.9	Low	61.2	Low	33 Å²	33	65.1 Å²	65.1	17%	0.169	33%	0.329	C	S	.	.	H	α-helix	trans	-59.1	-43.1	171.9	-73.8	174.7	0	0	0	111	F230 Y328 L329 K335 M336	F230-I332 HydrophobicContact CB-CD1 4.39Å; Y328-I332 HydrophobicContact CD1-CD1 3.66Å; Y328-I332 HydrophobicContact CD1-CG1 4.39Å; Y328-I332 HydrophobicContact CE1-CD1 3.13Å; Y328-I332 HydrophobicContact CE1-CG1 4.06Å; Y328-I332 HydrophobicContact CE2-CD1 4.41Å; Y328-I332 HydrophobicContact CG-CD1 4.49Å; Y328-I332 WeakPolarHBondContact O-CB 3.34Å; Y328-I332 VanDerWaalsContact O-CG1 3.25Å; Y328-I332 WeakPolarHBondContact O-CG1 3.29Å; Y328-I332 PolarHBondContact O-N 2.77Å; L329-I332 CarbonylContact O-C 3.54Å; L329-I332 PolarHBondContact O-N 2.8Å; I332-K335 CarbonylContact O-C 3.51Å; I332-K335 PolarHBondContact O-N 3.46Å; I332-M336 HydrophobicContact CG2-CE 3.19Å; I332-M336 HydrophobicContact CG2-CG 4Å; I332-M336 HydrophobicContact CG2-SD 3.61Å; I332-M336 WeakPolarHBondContact O-CA 3.39Å; I332-M336 WeakPolarHBondContact O-CB 3.39Å; I332-M336 WeakPolarHBondContact O-CG 3.4Å; I332-M336 PolarHBondContact O-N 2.99Å
333	L	56.7	Low	61	Low	48 Å²	48	67.2 Å²	67.2	25%	0.251	34%	0.336	S	S	.	.	H	α-helix	trans	-70.8	-43.7	-179.4	-73.7	173.7	0	0	0	111	L329 K330 D331 K335 M336 F337 L345	L329-L333 VanDerWaalsContact O-CB 3.27Å; L329-L333 WeakPolarHBondContact O-CB 2.88Å; L329-L333 WeakPolarHBondContact O-CG 3.31Å; L329-L333 PolarHBondContact O-N 2.96Å; K330-L333 CarbonylContact O-C 3.3Å; K330-L333 PolarHBondContact O-N 3.31Å; K330-L333 VanDerWaalsContact O-N 3.13Å; D331-L333 VanDerWaalsContact C-N 3.34Å; D331-L333 PolarHBondContact O-N 3.46Å; L333-K335 PolarHBondContact O-N 3.38Å; L333-M336 PolarHBondContact O-N 3.05Å; L333-F337 HydrophobicContact CB-CD2 4.23Å; L333-F337 HydrophobicContact CD2-CD2 3.65Å; L333-F337 HydrophobicContact CD2-CE2 3.38Å; L333-F337 HydrophobicContact CD2-CZ 4.42Å; L333-F337 WeakPolarHBondContact O-CA 3.31Å; L333-F337 VanDerWaalsContact O-CB 3.29Å; L333-F337 WeakPolarHBondContact O-CB 3.3Å; L333-F337 VanDerWaalsContact O-CD2 3.23Å; L333-F337 WeakPolarHBondContact O-CD2 3.37Å; L333-F337 PolarHBondContact O-N 2.83Å; L333-L345 HydrophobicContact CD2-CD1 4.4Å
334	E	61	Low	60.8	Low	75 Å²	75	63.3 Å²	63.3	35%	0.35	32%	0.319	S	S	.	.	H	α-helix	trans	-67.1	-24	173.5	-72.7	179.7	168.8	0	0	111.2	K330 D331 A342 M346 N389	K330-E334 WeakPolarHBondContact CE-OE1 3.2Å; K330-E334 HydrophobicContact CG-CG 4.41Å; K330-E334 IonicContact NZ-OE1 3.28Å; K330-E334 VanDerWaalsContact O-CB 3.26Å; K330-E334 WeakPolarHBondContact O-CB 3.39Å; K330-E334 VanDerWaalsContact O-CG 3.31Å; K330-E334 WeakPolarHBondContact O-CG 3.37Å; K330-E334 PolarHBondContact O-N 3.14Å; D331-E334 CarbonylContact O-C 3.55Å; D331-E334 PolarHBondContact O-N 2.79Å; E334-A342 HydrophobicContact CB-CB 4.46Å; E334-A342 HydrophobicContact CG-CB 3.98Å; E334-M346 HydrophobicContact CG-CE 3.95Å; E334-M346 HydrophobicContact CG-SD 3.66Å; E334-M346 VanDerWaalsContact OE1-CE 3.22Å; E334-M346 WeakPolarHBondContact OE1-CE 3.25Å; E334-M346 VanDerWaalsContact OE1-SD 3.33Å; E334-N389 VanDerWaalsContact O-CG 3.27Å; E334-N389 PolarHBondContact O-ND2 2.93Å
335	K	54	Low	60.3	Low	87 Å²	87	58.9 Å²	58.9	38%	0.378	29%	0.291	S	S	.	.	H	α-helix	trans	-82.7	-39.6	171.6	-84.7	173.8	179.9	166.5	0	111.4	D331 I332 L333 P387 V388 N389	D331-K335 VanDerWaalsContact CG-NZ 3.29Å; D331-K335 WeakPolarHBondContact O-CA 3.34Å; D331-K335 WeakPolarHBondContact O-CB 3.25Å; D331-K335 WeakPolarHBondContact O-CG 3.37Å; D331-K335 PolarHBondContact O-N 3.04Å; D331-K335 WeakPolarHBondContact OD1-CE 3.39Å; D331-K335 IonicContact OD1-NZ 2.66Å; D331-K335 PolarHBondContact OD1-NZ 2.71Å; D331-K335 VanDerWaalsContact OD1-NZ 3.1Å; D331-K335 WeakPolarHBondContact OD2-CD 3.47Å; D331-K335 WeakPolarHBondContact OD2-CE 3.49Å; D331-K335 IonicContact OD2-NZ 3.05Å; D331-K335 PolarHBondContact OD2-NZ 3.07Å; I332-K335 CarbonylContact O-C 3.51Å; I332-K335 PolarHBondContact O-N 3.46Å; L333-K335 PolarHBondContact O-N 3.38Å; K335-P387 HydrophobicContact CB-CB 3.44Å; K335-P387 VanDerWaalsContact CB-CB 3.44Å; K335-P387 HydrophobicContact CB-CG 3.72Å; K335-P387 HydrophobicContact CD-CB 4.31Å; K335-P387 HydrophobicContact CD-CG 3.8Å; K335-P387 HydrophobicContact CG-CB 3.79Å; K335-P387 HydrophobicContact CG-CG 3.85Å; K335-P387 CarbonylContact O-C 3.55Å; K335-P387 WeakPolarHBondContact O-CA 3.36Å; K335-P387 WeakPolarHBondContact O-CB 3.38Å; K335-V388 CarbonylContact O-C 3.55Å; K335-V388 PolarHBondContact O-N 3.46Å; K335-N389 PolarHBondContact O-N 3.25Å
336	M	47.6	Very low	60.2	Low	58 Å²	58	60.4 Å²	60.4	29%	0.286	30%	0.298	S	S	.	.	H	α-helix	trans	-90.6	-8.6	-174.7	-69	-169.6	-42.8	0	0	114.5	I332 L333 V388	I332-M336 HydrophobicContact CG2-CE 3.19Å; I332-M336 HydrophobicContact CG2-CG 4Å; I332-M336 HydrophobicContact CG2-SD 3.61Å; I332-M336 WeakPolarHBondContact O-CA 3.39Å; I332-M336 WeakPolarHBondContact O-CB 3.39Å; I332-M336 WeakPolarHBondContact O-CG 3.4Å; I332-M336 PolarHBondContact O-N 2.99Å; L333-M336 PolarHBondContact O-N 3.05Å; M336-V388 VanDerWaalsContact C-CB 3.49Å; M336-V388 HydrophobicContact CB-CG2 4.47Å; M336-V388 WeakPolarHBondContact O-CB 3.4Å; M336-V388 WeakPolarHBondContact O-CG2 3.45Å
337	F	52.5	Low	60.1	Low	13 Å²	13	59.9 Å²	59.9	6%	0.057	30%	0.296	C	S	.	.	S	Bend	trans	-137.6	140.7	-175.9	-59	-87.8	0	0	0	111.2	L333 A339 T341 A342 L345 L359 V364 N389	L333-F337 HydrophobicContact CB-CD2 4.23Å; L333-F337 HydrophobicContact CD2-CD2 3.65Å; L333-F337 HydrophobicContact CD2-CE2 3.38Å; L333-F337 HydrophobicContact CD2-CZ 4.42Å; L333-F337 WeakPolarHBondContact O-CA 3.31Å; L333-F337 VanDerWaalsContact O-CB 3.29Å; L333-F337 WeakPolarHBondContact O-CB 3.3Å; L333-F337 VanDerWaalsContact O-CD2 3.23Å; L333-F337 WeakPolarHBondContact O-CD2 3.37Å; L333-F337 PolarHBondContact O-N 2.83Å; F337-A339 PolarHBondContact O-N 3.08Å; F337-T341 HydrophobicContact CB-CG2 3.87Å; F337-T341 HydrophobicContact CD1-CG2 3.93Å; F337-T341 HydrophobicContact CG-CG2 4.19Å; F337-A342 HydrophobicContact CB-CB 4.36Å; F337-L345 HydrophobicContact CD1-CD1 4.14Å; F337-L345 HydrophobicContact CD2-CD1 4.13Å; F337-L345 HydrophobicContact CE2-CD1 4.5Å; F337-L345 HydrophobicContact CG-CD1 4Å; F337-L359 HydrophobicContact CD1-CD2 3.87Å; F337-L359 HydrophobicContact CE1-CD2 3.3Å; F337-L359 HydrophobicContact CE2-CD2 4.49Å; F337-L359 HydrophobicContact CZ-CD2 3.68Å; F337-V364 HydrophobicContact CD1-CB 3.56Å; F337-V364 HydrophobicContact CD1-CG1 3.19Å; F337-V364 HydrophobicContact CD1-CG2 4.13Å; F337-V364 HydrophobicContact CE1-CB 3.69Å; F337-V364 HydrophobicContact CE1-CG1 3.56Å; F337-V364 HydrophobicContact CG-CG1 4.23Å; F337-N389 VanDerWaalsContact O-CG 3.24Å; F337-N389 PolarHBondContact O-ND2 3.18Å; F337-N389 PolarHBondContact O-OD1 2.96Å
338	P	61.4	Low	59.4	Low	27 Å²	27	62.3 Å²	62.3	18%	0.175	32%	0.316	C	S	.	.			trans	-45.9	140.2	171.6	-28.6	34.3	0	0	0	111.3	E340 T341 A342 N389 L392	P338-E340 PolarHBondContact O-N 3.44Å; P338-T341 CarbonylContact O-C 3.53Å; P338-T341 VanDerWaalsContact O-CA 3.32Å; P338-T341 WeakPolarHBondContact O-CA 3.28Å; P338-T341 VanDerWaalsContact O-CB 3.29Å; P338-T341 WeakPolarHBondContact O-CB 3.44Å; P338-T341 PolarHBondContact O-N 3.07Å; P338-A342 PolarHBondContact O-N 3.39Å; P338-N389 WeakPolarHBondContact CA-OD1 3.37Å; P338-N389 VanDerWaalsContact N-OD1 3.15Å; P338-L392 HydrophobicContact CB-CD1 4.24Å; P338-L392 HydrophobicContact CG-CD1 4.24Å; P338-L392 HydrophobicContact CG-CD2 4.31Å
339	A	62.1	Low	58.9	Low	64 Å²	64	63 Å²	63	53%	0.529	33%	0.33	S	S	.	.	H	α-helix	trans	-49.8	-37.7	-172.1	0	0	0	0	0	113.9	F337 Q343	F337-A339 PolarHBondContact O-N 3.08Å; A339-Q343 VanDerWaalsContact O-CB 3.3Å; A339-Q343 WeakPolarHBondContact O-CB 3.34Å; A339-Q343 WeakPolarHBondContact O-CG 3.48Å; A339-Q343 PolarHBondContact O-N 2.65Å
340	E	64.7	Low	58.7	Low	125 Å²	125	63 Å²	63	58%	0.584	34%	0.34	S	S	*	.	H	α-helix	trans	-65.4	-40.8	175.2	-163.5	-166.5	155.7	0	0	112.4	P338 K344	P338-E340 PolarHBondContact O-N 3.44Å; E340-K344 WeakPolarHBondContact O-CG 3.41Å; E340-K344 PolarHBondContact O-N 3.38Å; E340-K344 WeakPolarHBondContact OE1-CE 3.5Å; E340-K344 IonicContact OE1-NZ 3.2Å; E340-K344 PolarHBondContact OE1-NZ 3Å
341	T	59.4	Low	58.4	Low	11 Å²	11	62 Å²	62	7%	0.067	34%	0.342	C	S	.	.	H	α-helix	trans	-68.1	-48.7	174.8	-57.4	0	0	0	0	110.9	F337 P338 Q343 K344 L345 L362 V364	F337-T341 HydrophobicContact CB-CG2 3.87Å; F337-T341 HydrophobicContact CD1-CG2 3.93Å; F337-T341 HydrophobicContact CG-CG2 4.19Å; P338-T341 CarbonylContact O-C 3.53Å; P338-T341 VanDerWaalsContact O-CA 3.32Å; P338-T341 WeakPolarHBondContact O-CA 3.28Å; P338-T341 VanDerWaalsContact O-CB 3.29Å; P338-T341 WeakPolarHBondContact O-CB 3.44Å; P338-T341 PolarHBondContact O-N 3.07Å; T341-Q343 VanDerWaalsContact C-N 3.28Å; T341-Q343 PolarHBondContact O-N 2.97Å; T341-K344 PolarHBondContact O-N 2.87Å; T341-K344 VanDerWaalsContact O-N 3.16Å; T341-L345 HydrophobicContact CG2-CD1 3.78Å; T341-L345 HydrophobicContact CG2-CG 4.23Å; T341-L345 VanDerWaalsContact O-CG 3.23Å; T341-L345 WeakPolarHBondContact O-CG 3.42Å; T341-L345 PolarHBondContact O-N 2.03Å; T341-L362 HydrophobicContact CG2-CD1 3.5Å; T341-L362 VanDerWaalsContact CG2-CD1 3.5Å; T341-L362 WeakPolarHBondContact OG1-CD1 3.36Å; T341-V364 HydrophobicContact CG2-CG2 3.87Å
342	A	62	Low	58.3	Low	1 Å²	1	62.1 Å²	62.1	1%	0.008	34%	0.343	C	S	.	.	H	α-helix	trans	-55	-48	175.3	0	0	0	0	0	109.6	E334 F337 P338 K344 L345 M346	E334-A342 HydrophobicContact CB-CB 4.46Å; E334-A342 HydrophobicContact CG-CB 3.98Å; F337-A342 HydrophobicContact CB-CB 4.36Å; P338-A342 PolarHBondContact O-N 3.39Å; A342-K344 PolarHBondContact O-N 2.9Å; A342-L345 CarbonylContact O-C 3.51Å; A342-L345 PolarHBondContact O-N 3.29Å; A342-L345 VanDerWaalsContact O-N 3.12Å; A342-M346 HydrophobicContact CB-CE 4.26Å; A342-M346 VanDerWaalsContact O-CB 3.28Å; A342-M346 WeakPolarHBondContact O-CB 3.2Å; A342-M346 WeakPolarHBondContact O-CG 3.5Å; A342-M346 PolarHBondContact O-N 2.87Å
343	Q	67.4	Low	58.5	Low	127 Å²	127	68.1 Å²	68.1	59%	0.593	37%	0.367	S	S	*	.	H	α-helix	trans	-57.9	-46.9	176	-82.1	-174.8	-0.7	0	0	112.6	A339 T341 L345 M346 Q347	A339-Q343 VanDerWaalsContact O-CB 3.3Å; A339-Q343 WeakPolarHBondContact O-CB 3.34Å; A339-Q343 WeakPolarHBondContact O-CG 3.48Å; A339-Q343 PolarHBondContact O-N 2.65Å; T341-Q343 VanDerWaalsContact C-N 3.28Å; T341-Q343 PolarHBondContact O-N 2.97Å; Q343-L345 VanDerWaalsContact C-N 3.29Å; Q343-L345 PolarHBondContact O-N 3.45Å; Q343-M346 HydrophobicContact CB-CE 4.39Å; Q343-M346 HydrophobicContact CG-CE 3.94Å; Q343-M346 CarbonylContact O-C 3.54Å; Q343-M346 PolarHBondContact O-N 2.96Å; Q343-M346 VanDerWaalsContact O-N 3.12Å; Q343-Q347 WeakPolarHBondContact O-CG 3.29Å; Q343-Q347 PolarHBondContact O-N 3.05Å
344	K	63.9	Low	58.7	Low	78 Å²	78	71 Å²	71	34%	0.339	38%	0.38	S	S	.	.	H	α-helix	trans	-60.9	-37.1	176.4	-74.7	173.8	-173.3	164.5	0	112.5	E340 T341 A342 M346 V358	E340-K344 WeakPolarHBondContact O-CG 3.41Å; E340-K344 PolarHBondContact O-N 3.38Å; E340-K344 WeakPolarHBondContact OE1-CE 3.5Å; E340-K344 IonicContact OE1-NZ 3.2Å; E340-K344 PolarHBondContact OE1-NZ 3Å; T341-K344 PolarHBondContact O-N 2.87Å; T341-K344 VanDerWaalsContact O-N 3.16Å; A342-K344 PolarHBondContact O-N 2.9Å; K344-M346 VanDerWaalsContact C-N 3.35Å; K344-V358 HydrophobicContact CB-CG1 4.04Å
345	L	56.6	Low	58.8	Low	11 Å²	11	70.1 Å²	70.1	6%	0.058	38%	0.375	C	S	.	.	H	α-helix	trans	-72.6	-30.7	175.7	-63.7	170.7	0	0	0	112.4	L333 F337 T341 A342 Q343 K355 V358 L359	L333-L345 HydrophobicContact CD2-CD1 4.4Å; F337-L345 HydrophobicContact CD1-CD1 4.14Å; F337-L345 HydrophobicContact CD2-CD1 4.13Å; F337-L345 HydrophobicContact CE2-CD1 4.5Å; F337-L345 HydrophobicContact CG-CD1 4Å; T341-L345 HydrophobicContact CG2-CD1 3.78Å; T341-L345 HydrophobicContact CG2-CG 4.23Å; T341-L345 VanDerWaalsContact O-CG 3.23Å; T341-L345 WeakPolarHBondContact O-CG 3.42Å; T341-L345 PolarHBondContact O-N 2.03Å; A342-L345 CarbonylContact O-C 3.51Å; A342-L345 PolarHBondContact O-N 3.29Å; A342-L345 VanDerWaalsContact O-N 3.12Å; Q343-L345 VanDerWaalsContact C-N 3.29Å; Q343-L345 PolarHBondContact O-N 3.45Å; L345-K355 HydrophobicContact CD2-CB 4.45Å; L345-K355 WeakPolarHBondContact CD2-O 3.34Å; L345-K355 WeakPolarHBondContact O-CD 3.26Å; L345-K355 WeakPolarHBondContact O-CE 3.49Å; L345-K355 PolarHBondContact O-NZ 3Å; L345-V358 HydrophobicContact CD2-CB 4.3Å; L345-V358 HydrophobicContact CD2-CG1 4.16Å; L345-L359 HydrophobicContact CD1-CD2 3.44Å; L345-L359 VanDerWaalsContact CD1-CD2 3.44Å; L345-L359 HydrophobicContact CD1-CG 4.07Å; L345-L359 HydrophobicContact CD2-CD1 4.23Å; L345-L359 HydrophobicContact CD2-CD2 3.9Å; L345-L359 HydrophobicContact CD2-CG 3.55Å; L345-L359 HydrophobicContact CG-CD2 4.29Å; L345-L359 HydrophobicContact CG-CG 4.44Å
346	M	63.6	Low	59	Low	48 Å²	48	66.7 Å²	66.7	24%	0.236	36%	0.36	C	S	.	.	H	α-helix	trans	-84.4	-11.2	179.1	-67.9	178.4	-40.9	0	0	113.6	K330 E334 A342 Q343 K344	K330-M346 HydrophobicContact CD-SD 3.84Å; K330-M346 WeakPolarHBondContact CE-SD 3.49Å; K330-M346 HydrophobicContact CG-CG 4.07Å; K330-M346 HydrophobicContact CG-SD 3.2Å; K330-M346 WeakPolarHBondContact CG-SD 3.27Å; E334-M346 HydrophobicContact CG-CE 3.95Å; E334-M346 HydrophobicContact CG-SD 3.66Å; E334-M346 VanDerWaalsContact OE1-CE 3.22Å; E334-M346 WeakPolarHBondContact OE1-CE 3.25Å; E334-M346 VanDerWaalsContact OE1-SD 3.33Å; A342-M346 HydrophobicContact CB-CE 4.26Å; A342-M346 VanDerWaalsContact O-CB 3.28Å; A342-M346 WeakPolarHBondContact O-CB 3.2Å; A342-M346 WeakPolarHBondContact O-CG 3.5Å; A342-M346 PolarHBondContact O-N 2.87Å; Q343-M346 HydrophobicContact CB-CE 4.39Å; Q343-M346 HydrophobicContact CG-CE 3.94Å; Q343-M346 CarbonylContact O-C 3.54Å; Q343-M346 PolarHBondContact O-N 2.96Å; Q343-M346 VanDerWaalsContact O-N 3.12Å; K344-M346 VanDerWaalsContact C-N 3.35Å
347	Q	62.4	Low	59.7	Low	101 Å²	101	67.5 Å²	67.5	47%	0.472	37%	0.365	S	S	.	.			trans	-54.3	129.5	179	-77.5	-172.3	-2.3	0	0	110.3	Q343 T349 K355	Q343-Q347 WeakPolarHBondContact O-CG 3.29Å; Q343-Q347 PolarHBondContact O-N 3.05Å; Q347-T349 PolarHBondContact O-N 3.14Å; Q347-T349 VanDerWaalsContact O-N 3.15Å; Q347-K355 WeakPolarHBondContact O-CE 3.25Å; Q347-K355 PolarHBondContact O-NZ 2.9Å
348	P	52.1	Low	60.3	Low	131 Å²	131	68.8 Å²	68.8	85%	0.851	37%	0.374	S	S	*	.	S	Bend	trans	-61.3	-26.4	-175.4	-21.6	30.8	0	0	0	112.9
349	T	49.1	Very low	60	Low	107 Å²	107	68.6 Å²	68.6	66%	0.656	37%	0.372	S	S	*	.	S	Bend	trans	-92.5	133.4	-176.9	51.7	0	0	0	0	111	Q347	Q347-T349 PolarHBondContact O-N 3.14Å; Q347-T349 VanDerWaalsContact O-N 3.15Å
350	G	55.6	Low	60	Low	40 Å²	40	69.8 Å²	69.8	41%	0.412	37%	0.366	S	S	.	.	S	Bend	trans	126.8	132.6	176.4	0	0	0	0	0	112	E354	G350-E354 WeakPolarHBondContact CA-OE2 3.45Å
351	S	58.9	Low	60	Low	59 Å²	59	72.1 Å²	72.1	41%	0.413	38%	0.375	S	S	.	.			trans	-55.6	152.3	167.5	63.2	0	0	0	0	110.6	K353 E354 K355	S351-K353 PolarHBondContact O-N 2.79Å; S351-K353 VanDerWaalsContact O-N 3.08Å; S351-E354 PolarHBondContact N-OE2 2.66Å; S351-E354 WeakPolarHBondContact O-CB 3.25Å; S351-E354 PolarHBondContact O-N 3.32Å; S351-E354 WeakPolarHBondContact OG-CG 3.37Å; S351-E354 PolarHBondContact OG-N 3.15Å; S351-E354 PolarHBondContact OG-OE2 2.95Å; S351-K355 PolarHBondContact O-N 2.72Å; S351-K355 VanDerWaalsContact O-N 3.11Å
352	I	58.6	Low	60	Low	61 Å²	61	74.3 Å²	74.3	31%	0.313	39%	0.386	S	S	.	.	H	α-helix	trans	-50.6	-36.4	171.8	-70	170.9	0	0	0	110.2	E354 K355 L356	I352-E354 PolarHBondContact O-N 3.32Å; I352-K355 PolarHBondContact O-N 2.99Å; I352-L356 HydrophobicContact CG2-CD1 3.66Å; I352-L356 HydrophobicContact CG2-CG 4.13Å; I352-L356 WeakPolarHBondContact O-CB 3.19Å; I352-L356 WeakPolarHBondContact O-CG 3.27Å; I352-L356 PolarHBondContact O-N 3.06Å
353	K	59	Low	60.2	Low	158 Å²	158	77.7 Å²	77.7	69%	0.687	40%	0.403	S	S	*	.	H	α-helix	trans	-58.5	-44.1	174.9	-169.8	176.6	-179.9	179.2	0	112.8	S351 L356 L357	S351-K353 PolarHBondContact O-N 2.79Å; S351-K353 VanDerWaalsContact O-N 3.08Å; K353-L356 PolarHBondContact O-N 3.35Å; K353-L357 HydrophobicContact CG-CD1 4.37Å; K353-L357 WeakPolarHBondContact O-CB 3.34Å; K353-L357 WeakPolarHBondContact O-CD1 3.08Å; K353-L357 PolarHBondContact O-N 3.37Å
354	E	61.8	Low	59.7	Low	108 Å²	108	71.7 Å²	71.7	51%	0.505	38%	0.375	S	S	.	.	H	α-helix	trans	-67.5	-42.2	177	-75.7	161	140	0	0	112.1	G350 S351 I352 L356 L357 V358	G350-E354 WeakPolarHBondContact CA-OE2 3.45Å; S351-E354 PolarHBondContact N-OE2 2.66Å; S351-E354 WeakPolarHBondContact O-CB 3.25Å; S351-E354 PolarHBondContact O-N 3.32Å; S351-E354 WeakPolarHBondContact OG-CG 3.37Å; S351-E354 PolarHBondContact OG-N 3.15Å; S351-E354 PolarHBondContact OG-OE2 2.95Å; I352-E354 PolarHBondContact O-N 3.32Å; E354-L356 VanDerWaalsContact C-N 3.34Å; E354-L356 PolarHBondContact O-N 3.04Å; E354-L357 WeakPolarHBondContact O-CB 3.44Å; E354-L357 PolarHBondContact O-N 3.08Å; E354-V358 WeakPolarHBondContact O-CG2 3.48Å; E354-V358 PolarHBondContact O-N 3.3Å
355	K	63.1	Low	59.5	Low	57 Å²	57	69.1 Å²	69.1	25%	0.248	37%	0.366	C	S	.	.	H	α-helix	trans	-64.6	-38.3	175.8	-64.7	-175.9	174	-154.4	0	112.1	L345 Q347 S351 I352 V358 L359	L345-K355 HydrophobicContact CD2-CB 4.45Å; L345-K355 WeakPolarHBondContact CD2-O 3.34Å; L345-K355 WeakPolarHBondContact O-CD 3.26Å; L345-K355 WeakPolarHBondContact O-CE 3.49Å; L345-K355 PolarHBondContact O-NZ 3Å; Q347-K355 WeakPolarHBondContact O-CE 3.25Å; Q347-K355 PolarHBondContact O-NZ 2.9Å; S351-K355 PolarHBondContact O-N 2.72Å; S351-K355 VanDerWaalsContact O-N 3.11Å; I352-K355 PolarHBondContact O-N 2.99Å; K355-V358 WeakPolarHBondContact O-CB 3.39Å; K355-V358 PolarHBondContact O-N 2.8Å; K355-L359 PolarHBondContact O-N 3.18Å
356	L	56.7	Low	59.9	Low	15 Å²	15	75 Å²	75	8%	0.079	39%	0.388	C	S	.	.	H	α-helix	trans	-66.3	-37.8	173.6	-72.5	169.8	0	0	0	112.2	L276 V298 I352 K353 E354 V358 L359 Q360	L276-L356 HydrophobicContact CD2-CD2 4.08Å; V298-L356 HydrophobicContact CB-CD1 4.29Å; V298-L356 HydrophobicContact CB-CD2 4.12Å; V298-L356 HydrophobicContact CG1-CD1 3.93Å; V298-L356 HydrophobicContact CG1-CD2 4.09Å; V298-L356 HydrophobicContact CG2-CD2 3.7Å; I352-L356 HydrophobicContact CG2-CD1 3.66Å; I352-L356 HydrophobicContact CG2-CG 4.13Å; I352-L356 WeakPolarHBondContact O-CB 3.19Å; I352-L356 WeakPolarHBondContact O-CG 3.27Å; I352-L356 PolarHBondContact O-N 3.06Å; K353-L356 PolarHBondContact O-N 3.35Å; E354-L356 VanDerWaalsContact C-N 3.34Å; E354-L356 PolarHBondContact O-N 3.04Å; L356-V358 VanDerWaalsContact C-N 3.26Å; L356-V358 PolarHBondContact O-N 2.98Å; L356-L359 HydrophobicContact CD2-CD1 4.25Å; L356-L359 WeakPolarHBondContact O-CB 3.42Å; L356-L359 PolarHBondContact O-N 3.29Å; L356-Q360 PolarHBondContact O-N 2.97Å
357	L	63.6	Low	59.9	Low	75 Å²	75	77.2 Å²	77.2	39%	0.393	40%	0.398	S	S	.	.	H	α-helix	trans	-61.4	-35	171.7	-92.7	151.9	0	0	0	111.8	K353 E354 K361	K353-L357 HydrophobicContact CG-CD1 4.37Å; K353-L357 WeakPolarHBondContact O-CB 3.34Å; K353-L357 WeakPolarHBondContact O-CD1 3.08Å; K353-L357 PolarHBondContact O-N 3.37Å; E354-L357 WeakPolarHBondContact O-CB 3.44Å; E354-L357 PolarHBondContact O-N 3.08Å; L357-K361 VanDerWaalsContact O-CB 3.26Å; L357-K361 WeakPolarHBondContact O-CB 3.38Å; L357-K361 VanDerWaalsContact O-CG 3.28Å; L357-K361 WeakPolarHBondContact O-CG 3.41Å; L357-K361 PolarHBondContact O-N 3.39Å
358	V	63.6	Low	59.7	Low	40 Å²	40	73.7 Å²	73.7	24%	0.242	38%	0.383	C	S	.	.	H	α-helix	trans	-65.6	-47.7	172.6	173.1	0	0	0	0	111	K344 L345 E354 K355 L356 Q360 K361 L362	K344-V358 HydrophobicContact CB-CG1 4.04Å; L345-V358 HydrophobicContact CD2-CB 4.3Å; L345-V358 HydrophobicContact CD2-CG1 4.16Å; E354-V358 WeakPolarHBondContact O-CG2 3.48Å; E354-V358 PolarHBondContact O-N 3.3Å; K355-V358 WeakPolarHBondContact O-CB 3.39Å; K355-V358 PolarHBondContact O-N 2.8Å; L356-V358 VanDerWaalsContact C-N 3.26Å; L356-V358 PolarHBondContact O-N 2.98Å; V358-Q360 VanDerWaalsContact C-N 3.3Å; V358-Q360 PolarHBondContact O-N 2.89Å; V358-K361 PolarHBondContact O-N 3.28Å; V358-L362 HydrophobicContact CG1-CD1 3.47Å; V358-L362 VanDerWaalsContact CG1-CD1 3.47Å; V358-L362 HydrophobicContact CG1-CG 4.24Å; V358-L362 WeakPolarHBondContact O-CB 3.32Å; V358-L362 WeakPolarHBondContact O-CG 3.27Å; V358-L362 PolarHBondContact O-N 2.9Å
359	L	56.6	Low	60.3	Low	24 Å²	24	68.1 Å²	68.1	13%	0.126	35%	0.346	C	S	.	.	H	α-helix	trans	-56.5	-43.5	175	-78.7	172.4	0	0	0	112.5	F337 L345 K355 L356 N363	F337-L359 HydrophobicContact CD1-CD2 3.87Å; F337-L359 HydrophobicContact CE1-CD2 3.3Å; F337-L359 HydrophobicContact CE2-CD2 4.49Å; F337-L359 HydrophobicContact CZ-CD2 3.68Å; L345-L359 HydrophobicContact CD1-CD2 3.44Å; L345-L359 VanDerWaalsContact CD1-CD2 3.44Å; L345-L359 HydrophobicContact CD1-CG 4.07Å; L345-L359 HydrophobicContact CD2-CD1 4.23Å; L345-L359 HydrophobicContact CD2-CD2 3.9Å; L345-L359 HydrophobicContact CD2-CG 3.55Å; L345-L359 HydrophobicContact CG-CD2 4.29Å; L345-L359 HydrophobicContact CG-CG 4.44Å; K355-L359 PolarHBondContact O-N 3.18Å; L356-L359 HydrophobicContact CD2-CD1 4.25Å; L356-L359 WeakPolarHBondContact O-CB 3.42Å; L356-L359 PolarHBondContact O-N 3.29Å; L359-N363 PolarHBondContact O-N 3.42Å
360	Q	62.4	Low	61	Low	88 Å²	88	66.4 Å²	66.4	41%	0.411	33%	0.333	S	S	.	.	H	α-helix	trans	-66.9	-46.1	177	-76.8	-175.8	-30	0	0	112	K275 L356 V358 L362 N363	K275-Q360 PolarHBondContact O-NE2 3.29Å; L356-Q360 PolarHBondContact O-N 2.97Å; V358-Q360 VanDerWaalsContact C-N 3.3Å; V358-Q360 PolarHBondContact O-N 2.89Å; Q360-L362 VanDerWaalsContact C-N 3.33Å; Q360-L362 PolarHBondContact O-N 3.48Å; Q360-N363 PolarHBondContact O-N 3.34Å
361	K	63.7	Low	61.4	Low	175 Å²	175	65.3 Å²	65.3	76%	0.761	32%	0.317	S	S	*	.	H	α-helix	trans	-63.4	-37.5	-179.8	-83.2	-178.3	175.6	-175.9	0	112.9	L357 V358 N363	L357-K361 VanDerWaalsContact O-CB 3.26Å; L357-K361 WeakPolarHBondContact O-CB 3.38Å; L357-K361 VanDerWaalsContact O-CG 3.28Å; L357-K361 WeakPolarHBondContact O-CG 3.41Å; L357-K361 PolarHBondContact O-N 3.39Å; V358-K361 PolarHBondContact O-N 3.28Å; K361-N363 VanDerWaalsContact C-N 3.25Å; K361-N363 PolarHBondContact O-N 3.34Å
362	L	60.3	Low	61.6	Low	56 Å²	56	63.2 Å²	63.2	29%	0.293	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-4.2	-178.3	-66.4	172.2	0	0	0	112.9	T341 V358 Q360 V364	T341-L362 HydrophobicContact CG2-CD1 3.5Å; T341-L362 VanDerWaalsContact CG2-CD1 3.5Å; T341-L362 WeakPolarHBondContact OG1-CD1 3.36Å; V358-L362 HydrophobicContact CG1-CD1 3.47Å; V358-L362 VanDerWaalsContact CG1-CD1 3.47Å; V358-L362 HydrophobicContact CG1-CG 4.24Å; V358-L362 WeakPolarHBondContact O-CB 3.32Å; V358-L362 WeakPolarHBondContact O-CG 3.27Å; V358-L362 PolarHBondContact O-N 2.9Å; Q360-L362 VanDerWaalsContact C-N 3.33Å; Q360-L362 PolarHBondContact O-N 3.48Å; L362-V364 HydrophobicContact CB-CG2 3.44Å; L362-V364 VanDerWaalsContact CB-CG2 3.44Å; L362-V364 WeakPolarHBondContact O-CG2 3.15Å; L362-V364 PolarHBondContact O-N 2.82Å
363	N	65.6	Low	62	Low	72 Å²	72	61.4 Å²	61.4	39%	0.385	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	23.6	178.6	-160.1	37.4	0	0	0	113	L359 Q360 K361 V365 R366 Q367	L359-N363 PolarHBondContact O-N 3.42Å; Q360-N363 PolarHBondContact O-N 3.34Å; K361-N363 VanDerWaalsContact C-N 3.25Å; K361-N363 PolarHBondContact O-N 3.34Å; N363-V365 PolarHBondContact O-N 3.32Å; N363-R366 WeakPolarHBondContact O-CB 3.42Å; N363-R366 PolarHBondContact O-N 2.81Å; N363-R366 VanDerWaalsContact O-N 3.14Å; N363-R366 VanDerWaalsContact OD1-CB 3.24Å; N363-R366 WeakPolarHBondContact OD1-CB 3.2Å; N363-R366 WeakPolarHBondContact OD1-CD 3.17Å; N363-Q367 PolarHBondContact O-N 3.38Å
364	V	57.4	Low	62.4	Low	1 Å²	1	54.6 Å²	54.6	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-71.3	-38.4	-165.4	-171.4	0	0	0	0	112.1	F337 T341 L362 R366 Q367 T368	F337-V364 HydrophobicContact CD1-CB 3.56Å; F337-V364 HydrophobicContact CD1-CG1 3.19Å; F337-V364 HydrophobicContact CD1-CG2 4.13Å; F337-V364 HydrophobicContact CE1-CB 3.69Å; F337-V364 HydrophobicContact CE1-CG1 3.56Å; F337-V364 HydrophobicContact CG-CG1 4.23Å; T341-V364 HydrophobicContact CG2-CG2 3.87Å; L362-V364 HydrophobicContact CB-CG2 3.44Å; L362-V364 VanDerWaalsContact CB-CG2 3.44Å; L362-V364 WeakPolarHBondContact O-CG2 3.15Å; L362-V364 PolarHBondContact O-N 2.82Å; V364-R366 PolarHBondContact O-N 3.21Å; V364-Q367 CarbonylContact O-C 3.59Å; V364-Q367 PolarHBondContact O-N 3.49Å; V364-T368 PolarHBondContact O-N 3.31Å; V364-T368 PolarHBondContact O-OG1 2.86Å
365	V	59.8	Low	62.4	Low	24 Å²	24	49.4 Å²	49.4	15%	0.145	24%	0.241	C	C	.	.	H	α-helix	trans	-56.9	-37.2	175.4	-176.4	0	0	0	0	110.9	L276 Y277 N363 I369	L276-V365 HydrophobicContact CB-CG2 4.35Å; Y277-V365 HydrophobicContact CG-CG1 4.37Å; N363-V365 PolarHBondContact O-N 3.32Å; V365-I369 HydrophobicContact CG1-CD1 4.01Å; V365-I369 WeakPolarHBondContact O-CB 3.41Å; V365-I369 WeakPolarHBondContact O-CD1 3.46Å; V365-I369 VanDerWaalsContact O-CG1 3.25Å; V365-I369 WeakPolarHBondContact O-CG1 3.41Å; V365-I369 PolarHBondContact O-N 2.98Å; V365-I369 VanDerWaalsContact O-N 3.16Å
366	R	64.3	Low	62.5	Low	136 Å²	136	46.8 Å²	46.8	51%	0.513	23%	0.23	S	C	.	.	H	α-helix	trans	-69.6	-47.2	174.6	178	166.4	177.1	-179.4	4.7	111.3	Y277 N363 V364 T368 I369 D370	Y277-R366 HydrophobicContact CD2-CB 4.35Å; N363-R366 WeakPolarHBondContact O-CB 3.42Å; N363-R366 PolarHBondContact O-N 2.81Å; N363-R366 VanDerWaalsContact O-N 3.14Å; N363-R366 VanDerWaalsContact OD1-CB 3.24Å; N363-R366 WeakPolarHBondContact OD1-CB 3.2Å; N363-R366 WeakPolarHBondContact OD1-CD 3.17Å; V364-R366 PolarHBondContact O-N 3.21Å; R366-T368 VanDerWaalsContact C-N 3.34Å; R366-T368 PolarHBondContact O-N 2.81Å; R366-I369 PolarHBondContact O-N 2.82Å; R366-I369 VanDerWaalsContact O-N 3.15Å; R366-D370 VanDerWaalsContact CG-OD2 3.31Å; R366-D370 WeakPolarHBondContact CG-OD2 3.5Å; R366-D370 IonicContact NE-OD2 3.78Å; R366-D370 WeakPolarHBondContact O-CB 2.92Å; R366-D370 PolarHBondContact O-N 2.87Å
367	Q	62.7	Low	62.7	Low	94 Å²	94	47.6 Å²	47.6	44%	0.439	24%	0.237	S	C	.	.	H	α-helix	trans	-57.3	-44	175.9	-70.6	178.2	-19.8	0	0	112.6	N363 V364 I369 D370 L371	N363-Q367 PolarHBondContact O-N 3.38Å; V364-Q367 CarbonylContact O-C 3.59Å; V364-Q367 PolarHBondContact O-N 3.49Å; Q367-I369 VanDerWaalsContact C-N 3.34Å; Q367-I369 PolarHBondContact O-N 3.26Å; Q367-D370 PolarHBondContact O-N 3.46Å; Q367-L371 WeakPolarHBondContact O-CB 3.23Å; Q367-L371 PolarHBondContact O-N 2.69Å
368	T	59.6	Low	62.6	Low	27 Å²	27	46.5 Å²	46.5	17%	0.166	23%	0.229	C	C	.	.	H	α-helix	trans	-57.2	-46.5	174.7	-53.3	0	0	0	0	111.8	V364 R366 T372 V388	V364-T368 PolarHBondContact O-N 3.31Å; V364-T368 PolarHBondContact O-OG1 2.86Å; R366-T368 VanDerWaalsContact C-N 3.34Å; R366-T368 PolarHBondContact O-N 2.81Å; T368-T372 WeakPolarHBondContact O-CB 3.44Å; T368-T372 PolarHBondContact O-N 2.95Å; T368-T372 PolarHBondContact O-OG1 2.91Å; T368-V388 HydrophobicContact CG2-CG2 3.32Å; T368-V388 VanDerWaalsContact OG1-CG2 3.28Å; T368-V388 WeakPolarHBondContact OG1-CG2 3.45Å
369	I	63.2	Low	62.7	Low	14 Å²	14	47.9 Å²	47.9	7%	0.072	23%	0.23	C	C	.	.	H	α-helix	trans	-69.9	-40.8	-179.6	-71.5	168.8	0	0	0	110.7	Y277 I281 V365 R366 Q367 L371 T372 N373	Y277-I369 HydrophobicContact CD1-CD1 3.39Å; Y277-I369 HydrophobicContact CD2-CD1 3.5Å; Y277-I369 HydrophobicContact CE1-CD1 3.58Å; Y277-I369 HydrophobicContact CE1-CG2 4.28Å; Y277-I369 HydrophobicContact CE2-CB 4.13Å; Y277-I369 HydrophobicContact CE2-CD1 3.65Å; Y277-I369 HydrophobicContact CE2-CG1 4.49Å; Y277-I369 HydrophobicContact CE2-CG2 3.94Å; Y277-I369 HydrophobicContact CG-CD1 3.36Å; Y277-I369 WeakPolarHBondContact OH-CG2 3.42Å; I281-I369 HydrophobicContact CG2-CG2 3.82Å; V365-I369 HydrophobicContact CG1-CD1 4.01Å; V365-I369 WeakPolarHBondContact O-CB 3.41Å; V365-I369 WeakPolarHBondContact O-CD1 3.46Å; V365-I369 VanDerWaalsContact O-CG1 3.25Å; V365-I369 WeakPolarHBondContact O-CG1 3.41Å; V365-I369 PolarHBondContact O-N 2.98Å; V365-I369 VanDerWaalsContact O-N 3.16Å; R366-I369 PolarHBondContact O-N 2.82Å; R366-I369 VanDerWaalsContact O-N 3.15Å; Q367-I369 VanDerWaalsContact C-N 3.34Å; Q367-I369 PolarHBondContact O-N 3.26Å; I369-L371 VanDerWaalsContact C-N 3.33Å; I369-L371 PolarHBondContact O-N 3.5Å; I369-T372 PolarHBondContact O-N 3.44Å; I369-N373 VanDerWaalsContact O-CB 3.29Å; I369-N373 WeakPolarHBondContact O-CB 3.3Å; I369-N373 PolarHBondContact O-N 3.17Å; I369-N373 PolarHBondContact O-ND2 3.02Å
370	D	65.5	Low	62.6	Low	71 Å²	71	47.7 Å²	47.7	38%	0.38	23%	0.23	S	C	.	.	H	α-helix	trans	-62.3	-42.3	177	-66.6	-17.5	0	0	0	110.5	R366 Q367 N373 C374	R366-D370 VanDerWaalsContact CG-OD2 3.31Å; R366-D370 WeakPolarHBondContact CG-OD2 3.5Å; R366-D370 IonicContact NE-OD2 3.78Å; R366-D370 WeakPolarHBondContact O-CB 2.92Å; R366-D370 PolarHBondContact O-N 2.87Å; Q367-D370 PolarHBondContact O-N 3.46Å; D370-N373 PolarHBondContact O-N 3.44Å; D370-C374 WeakPolarHBondContact O-CB 3.24Å; D370-C374 PolarHBondContact O-N 3.17Å
371	L	63.7	Low	62	Low	16 Å²	16	46.6 Å²	46.6	8%	0.084	22%	0.224	C	C	.	.	H	α-helix	trans	-62.8	-45.7	172.3	-102.9	155.3	0	0	0	112.8	Q367 I369 N373 C374 A375 V388 F391 I394 V395	Q367-L371 WeakPolarHBondContact O-CB 3.23Å; Q367-L371 PolarHBondContact O-N 2.69Å; I369-L371 VanDerWaalsContact C-N 3.33Å; I369-L371 PolarHBondContact O-N 3.5Å; L371-N373 VanDerWaalsContact C-N 3.31Å; L371-N373 PolarHBondContact O-N 3.03Å; L371-C374 WeakPolarHBondContact O-CB 3.38Å; L371-C374 PolarHBondContact O-N 2.73Å; L371-A375 PolarHBondContact O-N 2.88Å; L371-V388 HydrophobicContact CD1-CG1 4.48Å; L371-F391 HydrophobicContact CD1-CB 4.03Å; L371-F391 HydrophobicContact CD2-CB 3.81Å; L371-F391 HydrophobicContact CD2-CD1 4.11Å; L371-F391 HydrophobicContact CD2-CG 4.46Å; L371-F391 HydrophobicContact CG-CB 4.44Å; L371-I394 HydrophobicContact CD2-CB 3.86Å; L371-I394 HydrophobicContact CD2-CG2 4.42Å; L371-V395 HydrophobicContact CD2-CG2 3.64Å; L371-V395 HydrophobicContact CG-CG2 3.78Å
372	T	63.3	Low	61.6	Low	15 Å²	15	38.9 Å²	38.9	9%	0.092	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-40.8	177.6	-55	0	0	0	0	110.6	T368 I369 C374 A375 A376 M384	T368-T372 WeakPolarHBondContact O-CB 3.44Å; T368-T372 PolarHBondContact O-N 2.95Å; T368-T372 PolarHBondContact O-OG1 2.91Å; I369-T372 PolarHBondContact O-N 3.44Å; T372-C374 VanDerWaalsContact C-N 3.34Å; T372-A375 PolarHBondContact O-N 3.39Å; T372-A376 WeakPolarHBondContact O-CB 3.47Å; T372-A376 PolarHBondContact O-N 3.17Å; T372-M384 HydrophobicContact CG2-CG 4.15Å
373	N	66.3	Low	61.1	Low	24 Å²	24	39.7 Å²	39.7	13%	0.128	20%	0.201	C	C	.	.	H	α-helix	trans	-63.3	-40.7	175.2	-74.1	-17	0	0	0	111.2	W282 I369 D370 L371 A376 S377	W282-N373 PolarHBondContact N-OD1 2.87Å; I369-N373 VanDerWaalsContact O-CB 3.29Å; I369-N373 WeakPolarHBondContact O-CB 3.3Å; I369-N373 PolarHBondContact O-N 3.17Å; I369-N373 PolarHBondContact O-ND2 3.02Å; D370-N373 PolarHBondContact O-N 3.44Å; L371-N373 VanDerWaalsContact C-N 3.31Å; L371-N373 PolarHBondContact O-N 3.03Å; N373-A376 PolarHBondContact O-N 2.67Å; N373-S377 WeakPolarHBondContact O-CB 3.18Å; N373-S377 PolarHBondContact O-N 2.84Å; N373-S377 PolarHBondContact O-OG 3.15Å
374	C	67.1	Low	60.2	Low	14 Å²	14	40.8 Å²	40.8	10%	0.095	20%	0.204	C	C	.	.	H	α-helix	trans	-63.6	-47.2	175.2	145.6	0	0	0	0	111.7	D370 L371 T372 A376 S377 F378 V395 C400	D370-C374 WeakPolarHBondContact O-CB 3.24Å; D370-C374 PolarHBondContact O-N 3.17Å; L371-C374 WeakPolarHBondContact O-CB 3.38Å; L371-C374 PolarHBondContact O-N 2.73Å; T372-C374 VanDerWaalsContact C-N 3.34Å; C374-A376 VanDerWaalsContact C-N 3.35Å; C374-A376 PolarHBondContact O-N 2.94Å; C374-S377 PolarHBondContact O-OG 2.88Å; C374-F378 WeakPolarHBondContact O-CD2 2.89Å; C374-V395 HydrophobicContact CB-CG2 4.38Å; C374-C400 VanDerWaalsContact C-SG 3.54Å; C374-C400 HydrophobicContact CB-CB 3.84Å; C374-C400 WeakPolarHBondContact CB-SG 3.19Å; C374-C400 PolarHBondContact O-SG 3.4Å; C374-C400 WeakPolarHBondContact SG-CB 3.01Å; C374-C400 CovalentContact SG-SG 2.01Å; C374-C400 PolarHBondContact SG-SG 3.3Å
375	A	63	Low	59.6	Low	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-42.4	173.7	0	0	0	0	0	111.7	L371 T372 S377 F378 Y379 V382 F408	L371-A375 PolarHBondContact O-N 2.88Å; T372-A375 PolarHBondContact O-N 3.39Å; A375-S377 PolarHBondContact O-N 3.43Å; A375-F378 PolarHBondContact O-N 2.99Å; A375-Y379 PolarHBondContact O-N 2.92Å; A375-V382 HydrophobicContact CB-CG1 4.44Å; A375-V382 HydrophobicContact CB-CG2 4.39Å; A375-F408 HydrophobicContact CB-CE1 4.22Å
376	A	63.7	Low	59	Low	2 Å²	2	44.3 Å²	44.3	2%	0.017	24%	0.237	C	C	.	.	H	α-helix	trans	-76.2	-22.5	-174.3	0	0	0	0	0	113.8	W282 T372 N373 C374 F378 Y379 P380	W282-A376 HydrophobicContact CB-CB 4.02Å; W282-A376 HydrophobicContact CG-CB 3.92Å; W282-A376 PolarHBondContact NE1-O 3.45Å; T372-A376 WeakPolarHBondContact O-CB 3.47Å; T372-A376 PolarHBondContact O-N 3.17Å; N373-A376 PolarHBondContact O-N 2.67Å; C374-A376 VanDerWaalsContact C-N 3.35Å; C374-A376 PolarHBondContact O-N 2.94Å; A376-F378 PolarHBondContact O-N 3.4Å; A376-Y379 WeakPolarHBondContact CA-O 3.44Å; A376-Y379 CarbonylContact O-C 3.41Å; A376-Y379 VanDerWaalsContact O-C 3.28Å; A376-Y379 PolarHBondContact O-N 3.32Å; A376-P380 WeakPolarHBondContact O-CA 3.05Å; A376-P380 VanDerWaalsContact O-N 3.14Å
377	S	62.5	Low	58.4	Low	32 Å²	32	39 Å²	39	22%	0.224	22%	0.22	C	C	.	.	H	α-helix	trans	-63.5	-28.9	171.5	57.4	0	0	0	0	112.2	N373 C374 A375	N373-S377 WeakPolarHBondContact O-CB 3.18Å; N373-S377 PolarHBondContact O-N 2.84Å; N373-S377 PolarHBondContact O-OG 3.15Å; C374-S377 PolarHBondContact O-OG 2.88Å; A375-S377 PolarHBondContact O-N 3.43Å
378	F	60.7	Low	57.7	Low	51 Å²	51	34.8 Å²	34.8	22%	0.224	20%	0.201	C	C	.	.	H	α-helix	trans	-92.8	-33.2	173.8	-60.8	-64.4	0	0	0	112.5	E133 C374 A375 A376 C400 A405	E133-F378 HydrophobicContact CB-CD1 4.39Å; E133-F378 HydrophobicContact CB-CE1 4.03Å; E133-F378 HydrophobicContact CG-CD1 4.41Å; E133-F378 HydrophobicContact CG-CE1 3.6Å; E133-F378 HydrophobicContact CG-CZ 4.47Å; E133-F378 WeakPolarHBondContact OE1-CE1 3.12Å; E133-F378 WeakPolarHBondContact OE1-CZ 3.46Å; C374-F378 WeakPolarHBondContact O-CD2 2.89Å; A375-F378 PolarHBondContact O-N 2.99Å; A376-F378 PolarHBondContact O-N 3.4Å; F378-C400 HydrophobicContact CE2-CB 3.91Å; F378-C400 WeakPolarHBondContact CE2-SG 3.36Å; F378-A405 HydrophobicContact CD2-CB 4.44Å
379	Y	64.8	Low	57.2	Low	70 Å²	70	35.8 Å²	35.8	28%	0.275	21%	0.205	S	C	.	.			trans	-135.5	83.5	-173.7	-57.4	-82.5	0	0	0	109.8	A375 A376 F381 V382 A405 A406 V409	A375-Y379 PolarHBondContact O-N 2.92Å; A376-Y379 WeakPolarHBondContact CA-O 3.44Å; A376-Y379 CarbonylContact O-C 3.41Å; A376-Y379 VanDerWaalsContact O-C 3.28Å; A376-Y379 PolarHBondContact O-N 3.32Å; Y379-F381 PolarHBondContact O-N 3.17Å; Y379-V382 WeakPolarHBondContact O-CG2 3.43Å; Y379-V382 PolarHBondContact O-N 2.77Å; Y379-V382 VanDerWaalsContact O-N 3.11Å; Y379-A405 HydrophobicContact CE2-CB 4.39Å; Y379-A406 VanDerWaalsContact OH-CA 3.3Å; Y379-A406 WeakPolarHBondContact OH-CA 3.32Å; Y379-A406 WeakPolarHBondContact OH-CB 3.32Å; Y379-V409 HydrophobicContact CD1-CB 3.99Å; Y379-V409 HydrophobicContact CD1-CG1 3.7Å; Y379-V409 HydrophobicContact CD1-CG2 3.57Å; Y379-V409 HydrophobicContact CD2-CB 4.23Å; Y379-V409 HydrophobicContact CD2-CG2 3.22Å; Y379-V409 HydrophobicContact CE1-CB 4Å; Y379-V409 HydrophobicContact CE1-CG1 3.85Å; Y379-V409 HydrophobicContact CE1-CG2 3.95Å; Y379-V409 HydrophobicContact CE2-CB 4.26Å; Y379-V409 HydrophobicContact CE2-CG2 3.65Å; Y379-V409 HydrophobicContact CG-CB 4.1Å; Y379-V409 HydrophobicContact CG-CG1 4.21Å; Y379-V409 HydrophobicContact CG-CG2 3.17Å
380	P	54.5	Low	56.7	Low	19 Å²	19	40.1 Å²	40.1	12%	0.123	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-2.4	-167.9	-22.5	30.6	0	0	0	116.6	A376	A376-P380 WeakPolarHBondContact O-CA 3.05Å; A376-P380 VanDerWaalsContact O-N 3.14Å
381	F	51.5	Low	56.1	Low	65 Å²	65	37 Å²	37	29%	0.285	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-1.1	-170.6	-48	-65.7	0	0	0	113	A118 Y379 P383	A118-F381 VanDerWaalsContact C-CE2 3.42Å; A118-F381 VanDerWaalsContact C-CZ 3.45Å; A118-F381 HydrophobicContact CB-CD2 3.83Å; A118-F381 HydrophobicContact CB-CE2 4.13Å; A118-F381 HydrophobicContact CB-CG 4.36Å; A118-F381 WeakPolarHBondContact O-CD1 3.2Å; A118-F381 WeakPolarHBondContact O-CE1 3.45Å; A118-F381 WeakPolarHBondContact O-CE2 3.41Å; A118-F381 WeakPolarHBondContact O-CZ 3.41Å; Y379-F381 PolarHBondContact O-N 3.17Å; F381-P383 WeakPolarHBondContact O-CD 3.09Å; F381-P383 VanDerWaalsContact O-N 3.12Å
382	V	53.6	Low	55.3	Low	13 Å²	13	41.6 Å²	41.6	8%	0.079	24%	0.236	C	C	.	.			trans	-59.8	113.3	172.2	177.6	0	0	0	0	108.5	A375 Y379 L386 F408 V409	A375-V382 HydrophobicContact CB-CG1 4.44Å; A375-V382 HydrophobicContact CB-CG2 4.39Å; Y379-V382 WeakPolarHBondContact O-CG2 3.43Å; Y379-V382 PolarHBondContact O-N 2.77Å; Y379-V382 VanDerWaalsContact O-N 3.11Å; V382-L386 HydrophobicContact CG1-CD1 3.61Å; V382-F408 HydrophobicContact CB-CE1 4.48Å; V382-F408 HydrophobicContact CG1-CE1 3.66Å; V382-F408 HydrophobicContact CG1-CZ 3.95Å; V382-F408 HydrophobicContact CG2-CE1 3.89Å; V382-V409 HydrophobicContact CG2-CG2 4.31Å
383	P	49.6	Very low	54.9	Low	74 Å²	74	42.3 Å²	42.3	48%	0.481	25%	0.246	S	C	.	.			trans	-66.1	139.1	-176.6	24.1	-30.8	0	0	0	110.9	F381 G385 L386	F381-P383 WeakPolarHBondContact O-CD 3.09Å; F381-P383 VanDerWaalsContact O-N 3.12Å; P383-G385 VanDerWaalsContact C-N 3.34Å; P383-G385 PolarHBondContact O-N 2.99Å; P383-L386 HydrophobicContact CG-CD1 4.24Å; P383-L386 HydrophobicContact CG-CG 4.41Å
384	M	46.7	Very low	54.5	Low	94 Å²	94	41.6 Å²	41.6	46%	0.463	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	94.8	167.7	-65.6	-152.7	-58.4	0	0	108.8	I281 L294 T372	I281-M384 HydrophobicContact CB-SD 4.37Å; I281-M384 HydrophobicContact CD1-CE 3.33Å; I281-M384 HydrophobicContact CD1-SD 3.56Å; I281-M384 VanDerWaalsContact CD1-SD 3.56Å; L294-M384 HydrophobicContact CD2-CE 4.25Å; T372-M384 HydrophobicContact CG2-CG 4.15Å
385	G	45.3	Very low	53.8	Low	63 Å²	63	44.1 Å²	44.1	65%	0.649	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	167.9	6.6	-179.8	0	0	0	0	0	115	P383	P383-G385 VanDerWaalsContact C-N 3.34Å; P383-G385 PolarHBondContact O-N 2.99Å
386	L	48.4	Very low	53.3	Low	37 Å²	37	47.8 Å²	47.8	19%	0.194	28%	0.28	C	S	.	.			trans	-88.3	144.8	-175.2	-69.3	166.4	0	0	0	112.3	V382 P383 V388 F391 F408 V412	V382-L386 HydrophobicContact CG1-CD1 3.61Å; P383-L386 HydrophobicContact CG-CD1 4.24Å; P383-L386 HydrophobicContact CG-CG 4.41Å; L386-V388 PolarHBondContact O-N 3.3Å; L386-F391 HydrophobicContact CB-CE2 3.8Å; L386-F391 HydrophobicContact CB-CZ 3.38Å; L386-F391 HydrophobicContact CD1-CZ 4.4Å; L386-F391 HydrophobicContact CG-CZ 4.5Å; L386-F408 HydrophobicContact CB-CZ 4.47Å; L386-F408 HydrophobicContact CD1-CE1 4.24Å; L386-F408 HydrophobicContact CD1-CE2 4.15Å; L386-F408 HydrophobicContact CD1-CZ 3.4Å; L386-F408 HydrophobicContact CG-CZ 4.5Å; L386-V412 HydrophobicContact CD1-CG2 3.99Å
387	P	50.6	Low	52.7	Low	24 Å²	24	56.8 Å²	56.8	16%	0.156	32%	0.321	C	S	.	.			trans	-58.7	98.3	-178.2	-33.6	42.3	0	0	0	117	K335 N389 D390 F391	K335-P387 HydrophobicContact CB-CB 3.44Å; K335-P387 VanDerWaalsContact CB-CB 3.44Å; K335-P387 HydrophobicContact CB-CG 3.72Å; K335-P387 HydrophobicContact CD-CB 4.31Å; K335-P387 HydrophobicContact CD-CG 3.8Å; K335-P387 HydrophobicContact CG-CB 3.79Å; K335-P387 HydrophobicContact CG-CG 3.85Å; K335-P387 CarbonylContact O-C 3.55Å; K335-P387 WeakPolarHBondContact O-CA 3.36Å; K335-P387 WeakPolarHBondContact O-CB 3.38Å; P387-N389 PolarHBondContact O-N 3.04Å; P387-D390 PolarHBondContact O-N 3.38Å; P387-F391 WeakPolarHBondContact O-CD2 3.03Å; P387-F391 WeakPolarHBondContact O-CE2 3.48Å
388	V	48.9	Very low	52.3	Low	6 Å²	6	63 Å²	63	4%	0.036	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-40.2	-28.9	173.5	-177.3	0	0	0	0	116.9	K335 M336 T368 L371 L386 D390 F391	K335-V388 CarbonylContact O-C 3.55Å; K335-V388 PolarHBondContact O-N 3.46Å; M336-V388 VanDerWaalsContact C-CB 3.49Å; M336-V388 HydrophobicContact CB-CG2 4.47Å; M336-V388 WeakPolarHBondContact O-CB 3.4Å; M336-V388 WeakPolarHBondContact O-CG2 3.45Å; T368-V388 HydrophobicContact CG2-CG2 3.32Å; T368-V388 VanDerWaalsContact OG1-CG2 3.28Å; T368-V388 WeakPolarHBondContact OG1-CG2 3.45Å; L371-V388 HydrophobicContact CD1-CG1 4.48Å; L386-V388 PolarHBondContact O-N 3.3Å; V388-D390 VanDerWaalsContact C-N 3.25Å; V388-D390 PolarHBondContact O-N 3.44Å; V388-F391 VanDerWaalsContact CA-CD2 3.43Å; V388-F391 WeakPolarHBondContact O-CA 3.25Å; V388-F391 WeakPolarHBondContact O-CB 3.17Å; V388-F391 PolarHBondContact O-N 3.44Å
389	N	48.3	Very low	52.2	Low	48 Å²	48	67.8 Å²	67.8	26%	0.257	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-67.6	-24.7	177.2	-89.3	2.6	0	0	0	113.8	E334 K335 F337 P338 P387 F391	E334-N389 VanDerWaalsContact O-CG 3.27Å; E334-N389 PolarHBondContact O-ND2 2.93Å; K335-N389 PolarHBondContact O-N 3.25Å; F337-N389 VanDerWaalsContact O-CG 3.24Å; F337-N389 PolarHBondContact O-ND2 3.18Å; F337-N389 PolarHBondContact O-OD1 2.96Å; P338-N389 WeakPolarHBondContact CA-OD1 3.37Å; P338-N389 VanDerWaalsContact N-OD1 3.15Å; P387-N389 PolarHBondContact O-N 3.04Å; N389-F391 PolarHBondContact O-N 3.46Å
390	D	53	Low	52.1	Low	105 Å²	105	66.3 Å²	66.3	56%	0.561	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-74.8	-6.3	169.5	-59.3	-24.6	0	0	0	111.8	P387 V388	P387-D390 PolarHBondContact O-N 3.38Å; V388-D390 VanDerWaalsContact C-N 3.25Å; V388-D390 PolarHBondContact O-N 3.44Å
391	F	53.1	Low	53	Low	5 Å²	5	67.4 Å²	67.4	2%	0.022	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-110.5	-3.9	-166.9	-63.5	-115	0	0	0	113.4	L371 L386 P387 V388 N389 G393 I394 F408	L371-F391 HydrophobicContact CD1-CB 4.03Å; L371-F391 HydrophobicContact CD2-CB 3.81Å; L371-F391 HydrophobicContact CD2-CD1 4.11Å; L371-F391 HydrophobicContact CD2-CG 4.46Å; L371-F391 HydrophobicContact CG-CB 4.44Å; L386-F391 HydrophobicContact CB-CE2 3.8Å; L386-F391 HydrophobicContact CB-CZ 3.38Å; L386-F391 HydrophobicContact CD1-CZ 4.4Å; L386-F391 HydrophobicContact CG-CZ 4.5Å; P387-F391 WeakPolarHBondContact O-CD2 3.03Å; P387-F391 WeakPolarHBondContact O-CE2 3.48Å; V388-F391 VanDerWaalsContact CA-CD2 3.43Å; V388-F391 WeakPolarHBondContact O-CA 3.25Å; V388-F391 WeakPolarHBondContact O-CB 3.17Å; V388-F391 PolarHBondContact O-N 3.44Å; N389-F391 PolarHBondContact O-N 3.46Å; F391-G393 PolarHBondContact O-N 2.76Å; F391-I394 HydrophobicContact CB-CD1 4.37Å; F391-I394 HydrophobicContact CD1-CD1 3.99Å; F391-I394 HydrophobicContact CG-CD1 4.41Å; F391-I394 PolarHBondContact O-N 3.01Å; F391-F408 HydrophobicContact CE1-CD2 4.45Å; F391-F408 HydrophobicContact CE1-CE1 4.21Å; F391-F408 AromaticContact CE1-CE2 3.65Å; F391-F408 HydrophobicContact CE1-CE2 3.65Å; F391-F408 AromaticContact CE1-CZ 3.47Å; F391-F408 HydrophobicContact CE1-CZ 3.47Å; F391-F408 VanDerWaalsContact CE1-CZ 3.47Å; F391-F408 AromaticContact CE2-CE2 3.91Å; F391-F408 HydrophobicContact CE2-CE2 3.91Å; F391-F408 HydrophobicContact CE2-CZ 4.35Å; F391-F408 HydrophobicContact CZ-CD2 4.36Å; F391-F408 HydrophobicContact CZ-CE1 4.44Å; F391-F408 AromaticContact CZ-CE2 3.3Å; F391-F408 HydrophobicContact CZ-CE2 3.3Å; F391-F408 AromaticContact CZ-CZ 3.32Å; F391-F408 HydrophobicContact CZ-CZ 3.32Å
392	L	47.5	Very low	53.5	Low	113 Å²	113	69.4 Å²	69.4	59%	0.592	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	79.3	178.7	-70.4	172.3	0	0	0	110.1	P338	P338-L392 HydrophobicContact CB-CD1 4.24Å; P338-L392 HydrophobicContact CG-CD1 4.24Å; P338-L392 HydrophobicContact CG-CD2 4.31Å
393	G	53.8	Low	54.2	Low	30 Å²	30	75.4 Å²	75.4	31%	0.309	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	166.8	-21.2	177.5	0	0	0	0	0	114.3	F391 V395 K404	F391-G393 PolarHBondContact O-N 2.76Å; G393-V395 VanDerWaalsContact C-N 3.35Å; G393-K404 WeakPolarHBondContact O-CD 3.26Å; G393-K404 WeakPolarHBondContact O-CE 3.39Å; G393-K404 PolarHBondContact O-NZ 2.72Å
394	I	57.7	Low	55	Low	8 Å²	8	75.4 Å²	75.4	4%	0.041	41%	0.407	C	S	.	.	S	Bend	trans	-75.3	-22.4	-175.2	-55.6	172.8	0	0	0	112.1	L371 F391 D401 K404 A405 F408	L371-I394 HydrophobicContact CD2-CB 3.86Å; L371-I394 HydrophobicContact CD2-CG2 4.42Å; F391-I394 HydrophobicContact CB-CD1 4.37Å; F391-I394 HydrophobicContact CD1-CD1 3.99Å; F391-I394 HydrophobicContact CG-CD1 4.41Å; F391-I394 PolarHBondContact O-N 3.01Å; I394-D401 VanDerWaalsContact O-CB 3.32Å; I394-D401 WeakPolarHBondContact O-CB 3.44Å; I394-D401 PolarHBondContact O-N 2.84Å; I394-K404 HydrophobicContact CG1-CB 4.02Å; I394-A405 HydrophobicContact CG2-CB 4.15Å; I394-F408 HydrophobicContact CD1-CB 4.34Å; I394-F408 HydrophobicContact CD1-CG 4.45Å
395	V	53.4	Low	55.8	Low	67 Å²	67	70.9 Å²	70.9	41%	0.406	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	114.8	178.3	-178.2	0	0	0	0	108.9	L371 C374 G393	L371-V395 HydrophobicContact CD2-CG2 3.64Å; L371-V395 HydrophobicContact CG-CG2 3.78Å; C374-V395 HydrophobicContact CB-CG2 4.38Å; G393-V395 VanDerWaalsContact C-N 3.35Å
396	T	52.7	Low	56.7	Low	78 Å²	78	69.4 Å²	69.4	48%	0.479	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	115.3	171.8	50.9	0	0	0	0	109.1	N398 E399	T396-N398 PolarHBondContact O-N 2.91Å; T396-E399 PolarHBondContact N-O 3.16Å; T396-E399 VanDerWaalsContact N-O 3.16Å; T396-E399 PolarHBondContact O-N 3.17Å
397	E	50.9	Low	57.5	Low	191 Å²	191	73.3 Å²	73.3	89%	0.893	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.4	-9.9	168.7	-81.2	-172.3	167.9	0	0	121.1
398	N	53.1	Low	57.8	Low	163 Å²	163	73 Å²	73	87%	0.872	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	169.2	1.6	165.1	-83.5	-35.6	0	0	0	112.6	T396	T396-N398 PolarHBondContact O-N 2.91Å
399	E	58.7	Low	58.2	Low	151 Å²	151	73.5 Å²	73.5	71%	0.706	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.9	144.9	-176.1	-65.6	-176.9	168.2	0	0	111.6	T396	T396-E399 PolarHBondContact N-O 3.16Å; T396-E399 VanDerWaalsContact N-O 3.16Å; T396-E399 PolarHBondContact O-N 3.17Å
400	C	63.7	Low	58.7	Low	39 Å²	39	76.8 Å²	76.8	26%	0.264	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	119.2	177.1	-170.2	0	0	0	0	109.4	C374 F378 K402	C374-C400 VanDerWaalsContact C-SG 3.54Å; C374-C400 HydrophobicContact CB-CB 3.84Å; C374-C400 WeakPolarHBondContact CB-SG 3.19Å; C374-C400 PolarHBondContact O-SG 3.4Å; C374-C400 WeakPolarHBondContact SG-CB 3.01Å; C374-C400 CovalentContact SG-SG 2.01Å; C374-C400 PolarHBondContact SG-SG 3.3Å; F378-C400 HydrophobicContact CE2-CB 3.91Å; F378-C400 WeakPolarHBondContact CE2-SG 3.36Å; C400-K402 PolarHBondContact O-N 3.3Å
401	D	71.6	Confident	58.7	Low	42 Å²	42	76.7 Å²	76.7	23%	0.225	40%	0.396	C	S	.	.			trans	-77.2	101.8	178.8	-174.8	-30.2	0	0	0	109.9	I394 E403 K404 A405	I394-D401 VanDerWaalsContact O-CB 3.32Å; I394-D401 WeakPolarHBondContact O-CB 3.44Å; I394-D401 PolarHBondContact O-N 2.84Å; D401-E403 VanDerWaalsContact C-N 3.32Å; D401-E403 PolarHBondContact O-N 3.17Å; D401-E403 PolarHBondContact OD1-N 2.96Å; D401-E403 VanDerWaalsContact OD1-N 3.15Å; D401-K404 HydrophobicContact CB-CB 4.31Å; D401-K404 HydrophobicContact CB-CD 4.25Å; D401-K404 HydrophobicContact CB-CG 4.43Å; D401-K404 PolarHBondContact O-N 3.38Å; D401-K404 PolarHBondContact OD1-N 3.39Å; D401-K404 WeakPolarHBondContact OD2-CD 3.19Å; D401-K404 VanDerWaalsContact OD2-CE 3.27Å; D401-K404 WeakPolarHBondContact OD2-CE 3.49Å; D401-K404 IonicContact OD2-NZ 3.98Å; D401-K404 PolarHBondContact OD2-NZ 2.76Å; D401-A405 WeakPolarHBondContact O-CB 3.46Å; D401-A405 PolarHBondContact O-N 3.05Å
402	K	63.8	Low	58.7	Low	107 Å²	107	77.8 Å²	77.8	47%	0.465	40%	0.403	S	S	.	.	H	α-helix	trans	-59.5	-39.1	-177.3	-173.1	-162.4	-173.3	163.4	0	113.1	E133 C400 K404 A405 A406	E133-K402 WeakPolarHBondContact OE2-CD 3.5Å; E133-K402 WeakPolarHBondContact OE2-CE 3.46Å; E133-K402 IonicContact OE2-NZ 2.81Å; E133-K402 PolarHBondContact OE2-NZ 2.76Å; C400-K402 PolarHBondContact O-N 3.3Å; K402-K404 VanDerWaalsContact C-N 3.35Å; K402-A405 PolarHBondContact O-N 3.26Å; K402-A406 WeakPolarHBondContact O-CB 3.31Å; K402-A406 PolarHBondContact O-N 3.27Å
403	E	68.2	Low	58.8	Low	138 Å²	138	77.5 Å²	77.5	65%	0.645	40%	0.397	S	S	*	.	H	α-helix	trans	-66.6	-43.2	-175.7	-167.7	176	174.1	0	0	110	D401 A406 Q407	D401-E403 VanDerWaalsContact C-N 3.32Å; D401-E403 PolarHBondContact O-N 3.17Å; D401-E403 PolarHBondContact OD1-N 2.96Å; D401-E403 VanDerWaalsContact OD1-N 3.15Å; E403-A406 PolarHBondContact O-N 2.93Å; E403-Q407 VanDerWaalsContact O-CG 3.31Å; E403-Q407 WeakPolarHBondContact O-CG 3.33Å; E403-Q407 PolarHBondContact O-N 2.77Å
404	K	65.2	Low	58.4	Low	74 Å²	74	78 Å²	78	32%	0.322	40%	0.403	S	S	.	.	H	α-helix	trans	-67.7	-37.5	173.6	-65.9	-178.5	-173.6	128.6	0	112.8	G393 I394 D401 K402 A406 Q407 F408	G393-K404 WeakPolarHBondContact O-CD 3.26Å; G393-K404 WeakPolarHBondContact O-CE 3.39Å; G393-K404 PolarHBondContact O-NZ 2.72Å; I394-K404 HydrophobicContact CG1-CB 4.02Å; D401-K404 HydrophobicContact CB-CB 4.31Å; D401-K404 HydrophobicContact CB-CD 4.25Å; D401-K404 HydrophobicContact CB-CG 4.43Å; D401-K404 PolarHBondContact O-N 3.38Å; D401-K404 PolarHBondContact OD1-N 3.39Å; D401-K404 WeakPolarHBondContact OD2-CD 3.19Å; D401-K404 VanDerWaalsContact OD2-CE 3.27Å; D401-K404 WeakPolarHBondContact OD2-CE 3.49Å; D401-K404 IonicContact OD2-NZ 3.98Å; D401-K404 PolarHBondContact OD2-NZ 2.76Å; K402-K404 VanDerWaalsContact C-N 3.35Å; K404-A406 VanDerWaalsContact C-N 3.32Å; K404-A406 PolarHBondContact O-N 3.26Å; K404-Q407 PolarHBondContact O-N 2.82Å; K404-F408 WeakPolarHBondContact O-CB 3.29Å; K404-F408 PolarHBondContact O-N 2.82Å
405	A	63.1	Low	57.7	Low	0 Å²	0	82.3 Å²	82.3	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-63.2	-37.1	174	0	0	0	0	0	112.4	F378 Y379 I394 D401 K402 F408 V409	F378-A405 HydrophobicContact CD2-CB 4.44Å; Y379-A405 HydrophobicContact CE2-CB 4.39Å; I394-A405 HydrophobicContact CG2-CB 4.15Å; D401-A405 WeakPolarHBondContact O-CB 3.46Å; D401-A405 PolarHBondContact O-N 3.05Å; K402-A405 PolarHBondContact O-N 3.26Å; A405-F408 WeakPolarHBondContact O-CB 3.45Å; A405-F408 PolarHBondContact O-N 3.26Å; A405-V409 WeakPolarHBondContact O-CG2 3.32Å; A405-V409 PolarHBondContact O-N 3.22Å; A405-V409 VanDerWaalsContact O-N 3.12Å
406	A	64.4	Low	57.2	Low	31 Å²	31	84.9 Å²	84.9	26%	0.256	44%	0.435	S	S	.	.	H	α-helix	trans	-70.1	-44.6	176.2	0	0	0	0	0	112.5	Y379 K402 E403 K404 F408 V409 E410	Y379-A406 VanDerWaalsContact OH-CA 3.3Å; Y379-A406 WeakPolarHBondContact OH-CA 3.32Å; Y379-A406 WeakPolarHBondContact OH-CB 3.32Å; K402-A406 WeakPolarHBondContact O-CB 3.31Å; K402-A406 PolarHBondContact O-N 3.27Å; E403-A406 PolarHBondContact O-N 2.93Å; K404-A406 VanDerWaalsContact C-N 3.32Å; K404-A406 PolarHBondContact O-N 3.26Å; A406-F408 PolarHBondContact O-N 3.13Å; A406-V409 PolarHBondContact O-N 3.08Å; A406-V409 VanDerWaalsContact O-N 3.11Å; A406-E410 PolarHBondContact O-N 3.41Å; A406-E410 VanDerWaalsContact O-N 3.11Å
407	Q	64.9	Low	56.4	Low	119 Å²	119	89.1 Å²	89.1	56%	0.556	45%	0.45	S	S	*	.	H	α-helix	trans	-56.1	-40.1	172.8	-72.2	172.6	11.3	0	0	111.2	E403 K404 E410 L411	E403-Q407 VanDerWaalsContact O-CG 3.31Å; E403-Q407 WeakPolarHBondContact O-CG 3.33Å; E403-Q407 PolarHBondContact O-N 2.77Å; K404-Q407 PolarHBondContact O-N 2.82Å; Q407-E410 PolarHBondContact O-N 3.05Å; Q407-L411 PolarHBondContact O-N 3.38Å
408	F	57.2	Low	55.7	Low	17 Å²	17	83 Å²	83	8%	0.075	43%	0.432	C	S	.	.	H	α-helix	trans	-64.2	-40.9	175.4	167.6	-99.2	0	0	0	113.2	A375 V382 L386 F391 I394 K404 A405 A406 E410 L411 V412	A375-F408 HydrophobicContact CB-CE1 4.22Å; V382-F408 HydrophobicContact CB-CE1 4.48Å; V382-F408 HydrophobicContact CG1-CE1 3.66Å; V382-F408 HydrophobicContact CG1-CZ 3.95Å; V382-F408 HydrophobicContact CG2-CE1 3.89Å; L386-F408 HydrophobicContact CB-CZ 4.47Å; L386-F408 HydrophobicContact CD1-CE1 4.24Å; L386-F408 HydrophobicContact CD1-CE2 4.15Å; L386-F408 HydrophobicContact CD1-CZ 3.4Å; L386-F408 HydrophobicContact CG-CZ 4.5Å; F391-F408 HydrophobicContact CE1-CD2 4.45Å; F391-F408 HydrophobicContact CE1-CE1 4.21Å; F391-F408 AromaticContact CE1-CE2 3.65Å; F391-F408 HydrophobicContact CE1-CE2 3.65Å; F391-F408 AromaticContact CE1-CZ 3.47Å; F391-F408 HydrophobicContact CE1-CZ 3.47Å; F391-F408 VanDerWaalsContact CE1-CZ 3.47Å; F391-F408 AromaticContact CE2-CE2 3.91Å; F391-F408 HydrophobicContact CE2-CE2 3.91Å; F391-F408 HydrophobicContact CE2-CZ 4.35Å; F391-F408 HydrophobicContact CZ-CD2 4.36Å; F391-F408 HydrophobicContact CZ-CE1 4.44Å; F391-F408 AromaticContact CZ-CE2 3.3Å; F391-F408 HydrophobicContact CZ-CE2 3.3Å; F391-F408 AromaticContact CZ-CZ 3.32Å; F391-F408 HydrophobicContact CZ-CZ 3.32Å; I394-F408 HydrophobicContact CD1-CB 4.34Å; I394-F408 HydrophobicContact CD1-CG 4.45Å; K404-F408 WeakPolarHBondContact O-CB 3.29Å; K404-F408 PolarHBondContact O-N 2.82Å; A405-F408 WeakPolarHBondContact O-CB 3.45Å; A405-F408 PolarHBondContact O-N 3.26Å; A406-F408 PolarHBondContact O-N 3.13Å; F408-E410 VanDerWaalsContact C-N 3.35Å; F408-E410 PolarHBondContact O-N 3.22Å; F408-L411 WeakPolarHBondContact O-CB 2.79Å; F408-L411 PolarHBondContact O-N 3.02Å; F408-V412 HydrophobicContact CD1-CG2 4.36Å; F408-V412 HydrophobicContact CD2-CG2 4.17Å; F408-V412 HydrophobicContact CE1-CG2 3.98Å; F408-V412 HydrophobicContact CE2-CG2 3.76Å; F408-V412 HydrophobicContact CG-CG2 4.48Å; F408-V412 HydrophobicContact CZ-CG2 3.69Å; F408-V412 WeakPolarHBondContact O-CG2 3.3Å; F408-V412 PolarHBondContact O-N 2.95Å
409	V	57	Low	55	Low	18 Å²	18	82.1 Å²	82.1	11%	0.109	42%	0.423	C	S	.	.	H	α-helix	trans	-67.5	-35.9	177.6	168.8	0	0	0	0	112.7	Y379 V382 A405 A406 V412 K413	Y379-V409 HydrophobicContact CD1-CB 3.99Å; Y379-V409 HydrophobicContact CD1-CG1 3.7Å; Y379-V409 HydrophobicContact CD1-CG2 3.57Å; Y379-V409 HydrophobicContact CD2-CB 4.23Å; Y379-V409 HydrophobicContact CD2-CG2 3.22Å; Y379-V409 HydrophobicContact CE1-CB 4Å; Y379-V409 HydrophobicContact CE1-CG1 3.85Å; Y379-V409 HydrophobicContact CE1-CG2 3.95Å; Y379-V409 HydrophobicContact CE2-CB 4.26Å; Y379-V409 HydrophobicContact CE2-CG2 3.65Å; Y379-V409 HydrophobicContact CG-CB 4.1Å; Y379-V409 HydrophobicContact CG-CG1 4.21Å; Y379-V409 HydrophobicContact CG-CG2 3.17Å; V382-V409 HydrophobicContact CG2-CG2 4.31Å; A405-V409 WeakPolarHBondContact O-CG2 3.32Å; A405-V409 PolarHBondContact O-N 3.22Å; A405-V409 VanDerWaalsContact O-N 3.12Å; A406-V409 PolarHBondContact O-N 3.08Å; A406-V409 VanDerWaalsContact O-N 3.11Å; V409-V412 PolarHBondContact O-N 3.07Å; V409-K413 WeakPolarHBondContact O-CG 3.47Å; V409-K413 PolarHBondContact O-N 3.34Å
410	E	60.4	Low	53.8	Low	117 Å²	117	83.6 Å²	83.6	55%	0.547	43%	0.429	S	S	.	.	H	α-helix	trans	-64.9	-39.6	170.7	-74.1	-58.6	131.2	0	0	111.8	A406 Q407 F408 V412 K413 G414	A406-E410 PolarHBondContact O-N 3.41Å; A406-E410 VanDerWaalsContact O-N 3.11Å; Q407-E410 PolarHBondContact O-N 3.05Å; F408-E410 VanDerWaalsContact C-N 3.35Å; F408-E410 PolarHBondContact O-N 3.22Å; E410-V412 PolarHBondContact O-N 3.29Å; E410-K413 PolarHBondContact O-N 2.81Å; E410-K413 IonicContact OE1-NZ 3.42Å; E410-K413 PolarHBondContact OE1-NZ 2.97Å; E410-G414 PolarHBondContact O-N 2.9Å
411	L	52.1	Low	51.9	Low	102 Å²	102	90.1 Å²	90.1	53%	0.534	46%	0.458	S	S	.	.	H	α-helix	trans	-60.6	-46.2	173.6	-170	76.2	0	0	0	111.9	Q407 F408 G414 M415	Q407-L411 PolarHBondContact O-N 3.38Å; F408-L411 WeakPolarHBondContact O-CB 2.79Å; F408-L411 PolarHBondContact O-N 3.02Å; L411-G414 PolarHBondContact O-N 2.94Å; L411-M415 WeakPolarHBondContact O-CG 3.29Å; L411-M415 PolarHBondContact O-N 2.87Å
412	V	53	Low	49.9	Very low	29 Å²	29	93.9 Å²	93.9	18%	0.176	48%	0.483	C	S	.	.	H	α-helix	trans	-66.5	-36.8	179.7	173.2	0	0	0	0	111.8	L386 F408 V409 E410 G414 M415 N416	L386-V412 HydrophobicContact CD1-CG2 3.99Å; F408-V412 HydrophobicContact CD1-CG2 4.36Å; F408-V412 HydrophobicContact CD2-CG2 4.17Å; F408-V412 HydrophobicContact CE1-CG2 3.98Å; F408-V412 HydrophobicContact CE2-CG2 3.76Å; F408-V412 HydrophobicContact CG-CG2 4.48Å; F408-V412 HydrophobicContact CZ-CG2 3.69Å; F408-V412 WeakPolarHBondContact O-CG2 3.3Å; F408-V412 PolarHBondContact O-N 2.95Å; V409-V412 PolarHBondContact O-N 3.07Å; E410-V412 PolarHBondContact O-N 3.29Å; V412-G414 VanDerWaalsContact C-N 3.34Å; V412-M415 PolarHBondContact O-N 3.02Å; V412-N416 PolarHBondContact O-N 2.83Å
413	K	50.6	Low	48.2	Very low	106 Å²	106	96.6 Å²	96.6	46%	0.461	50%	0.497	S	S	.	.	H	α-helix	trans	-60.7	-44.5	171.3	-76.8	177.1	-173.6	170	0	111.2	V409 E410 M415 N416 E417	V409-K413 WeakPolarHBondContact O-CG 3.47Å; V409-K413 PolarHBondContact O-N 3.34Å; E410-K413 PolarHBondContact O-N 2.81Å; E410-K413 IonicContact OE1-NZ 3.42Å; E410-K413 PolarHBondContact OE1-NZ 2.97Å; K413-M415 VanDerWaalsContact C-N 3.31Å; K413-M415 PolarHBondContact O-N 2.98Å; K413-N416 PolarHBondContact O-N 3.03Å; K413-E417 PolarHBondContact O-N 3.12Å
414	G	44.6	Very low	46.5	Very low	42 Å²	42	95.8 Å²	95.8	43%	0.433	50%	0.504	S	S	.	.	H	α-helix	trans	-61.5	-35.8	175.8	0	0	0	0	0	113.5	E410 L411 V412 A418	E410-G414 PolarHBondContact O-N 2.9Å; L411-G414 PolarHBondContact O-N 2.94Å; V412-G414 VanDerWaalsContact C-N 3.34Å; G414-A418 WeakPolarHBondContact O-CB 3.49Å; G414-A418 PolarHBondContact O-N 3.27Å
415	M	42.6	Very low	44.8	Very low	97 Å²	97	98.1 Å²	98.1	48%	0.478	52%	0.524	S	S	.	.	H	α-helix	trans	-71.6	-36.1	176.7	-67.9	178.1	73.9	0	0	112.8	L411 V412 K413 E417 A418 E419	L411-M415 WeakPolarHBondContact O-CG 3.29Å; L411-M415 PolarHBondContact O-N 2.87Å; V412-M415 PolarHBondContact O-N 3.02Å; K413-M415 VanDerWaalsContact C-N 3.31Å; K413-M415 PolarHBondContact O-N 2.98Å; M415-E417 VanDerWaalsContact C-N 3.33Å; M415-A418 PolarHBondContact O-N 3.15Å; M415-E419 PolarHBondContact O-N 2.77Å; M415-E419 VanDerWaalsContact O-N 3.17Å
416	N	42.4	Very low	43.4	Very low	122 Å²	122	101.9 Å²	101.9	65%	0.652	55%	0.548	S	S	*	.	H	α-helix	trans	-74.7	-23.6	-179.7	-131	11.6	0	0	0	112.9	V412 K413	V412-N416 PolarHBondContact O-N 2.83Å; K413-N416 PolarHBondContact O-N 3.03Å
417	E	37.9	Very low	42.1	Very low	167 Å²	167	105.6 Å²	105.6	78%	0.78	57%	0.568	S	S	*	*	H	α-helix	trans	-83.9	-23.9	172.6	-69.9	178.3	178.9	0	0	112.5	K413 M415	K413-E417 PolarHBondContact O-N 3.12Å; M415-E417 VanDerWaalsContact C-N 3.33Å
418	A	35.5	Very low	40.7	Very low	63 Å²	63	103.9 Å²	103.9	52%	0.521	56%	0.562	S	S	.	*	H	α-helix	trans	-85.5	-22.7	176.8	0	0	0	0	0	114.3	G414 M415 Q420 M421	G414-A418 WeakPolarHBondContact O-CB 3.49Å; G414-A418 PolarHBondContact O-N 3.27Å; M415-A418 PolarHBondContact O-N 3.15Å; A418-Q420 PolarHBondContact O-N 3.23Å; A418-M421 PolarHBondContact O-N 2.82Å
419	E	37.8	Very low	40	Very low	144 Å²	144	111.2 Å²	111.2	67%	0.673	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	4.7	-177.3	-84.3	-170	170.5	0	0	115.5	M415	M415-E419 PolarHBondContact O-N 2.77Å; M415-E419 VanDerWaalsContact O-N 3.17Å
420	Q	33	Very low	39.4	Very low	181 Å²	181	113.7 Å²	113.7	85%	0.846	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-0.1	170.6	-77	-166.9	0.8	0	0	115	A418	A418-Q420 PolarHBondContact O-N 3.23Å
421	M	25.3	Very low	38.5	Very low	177 Å²	177	112.3 Å²	112.3	87%	0.872	61%	0.61	S	S	*	*	S	Bend	trans	-151.9	67.1	179.4	-73.1	-167.5	145.3	0	0	114.1	A418	A418-M421 PolarHBondContact O-N 2.82Å
422	V	29.6	Very low	38.2	Very low	121 Å²	121	111.6 Å²	111.6	73%	0.733	61%	0.613	S	S	*	*			trans	-148.7	101.8	159.2	-169.9	0	0	0	0	110.1
423	E	27.3	Very low	38.1	Very low	163 Å²	163	116.3 Å²	116.3	76%	0.762	64%	0.638	S	S	*	*			trans	-66.2	134.6	156.9	-76.3	-176.4	163.7	0	0	108	T425	E423-T425 PolarHBondContact O-N 3.05Å
424	P	32.4	Very low	38.5	Very low	122 Å²	122	113.9 Å²	113.9	79%	0.792	63%	0.63	S	S	*	*			trans	-63.2	111.7	178.3	24.6	-30.4	0	0	0	109.2
425	T	29.8	Very low	39.1	Very low	122 Å²	122	115.1 Å²	115.1	75%	0.748	63%	0.626	S	S	*	*			trans	-62.9	128.9	170.4	-38.5	0	0	0	0	108.3	E423 T427	E423-T425 PolarHBondContact O-N 3.05Å; T425-T427 PolarHBondContact O-N 3.16Å
426	P	33	Very low	40.2	Very low	79 Å²	79	115.9 Å²	115.9	51%	0.513	63%	0.629	S	S	.	*			trans	-61.3	127.2	178.5	-20.7	32.7	0	0	0	109.9	I428	P426-I428 PolarHBondContact O-N 2.98Å
427	T	37.6	Very low	41.2	Very low	110 Å²	110	113.2 Å²	113.2	68%	0.675	61%	0.614	S	S	*	*			trans	-71.9	110	169.5	-46.9	0	0	0	0	107.9	T425 H429	T425-T427 PolarHBondContact O-N 3.16Å; T427-H429 PolarHBondContact O-N 3.14Å
428	I	35.2	Very low	42.2	Very low	82 Å²	82	107 Å²	107	42%	0.421	59%	0.588	S	S	.	*			trans	-71.8	112.6	176	-62.9	171.5	0	0	0	107.7	P426 D434 V438	P426-I428 PolarHBondContact O-N 2.98Å; I428-D434 HydrophobicContact CG2-CB 3.89Å; I428-V438 HydrophobicContact CD1-CG2 3.6Å
429	H	42.9	Very low	43.6	Very low	172 Å²	172	105.6 Å²	105.6	80%	0.796	57%	0.57	S	S	*	*	S	Bend	trans	-92.4	0.4	-176.5	-89.2	-61.8	0	0	0	114.6	T427	T427-H429 PolarHBondContact O-N 3.14Å
430	D	43.5	Very low	45.1	Very low	70 Å²	70	102.1 Å²	102.1	37%	0.374	56%	0.556	S	S	.	*			trans	-157.8	110.5	170.1	-172	-16	0	0	0	110.8	S432 N433	D430-S432 PolarHBondContact O-N 3.24Å; D430-S432 VanDerWaalsContact O-N 3.08Å; D430-S432 PolarHBondContact OD1-N 3.24Å; D430-S432 PolarHBondContact OD1-OG 3.28Å; D430-S432 PolarHBondContact OD2-OG 3.29Å; D430-N433 PolarHBondContact O-N 3.13Å; D430-N433 PolarHBondContact OD2-ND2 3.16Å
431	P	42	Very low	46.7	Very low	87 Å²	87	97.1 Å²	97.1	57%	0.565	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-12.8	-177.3	-17.7	29.6	0	0	0	114.6
432	S	47.3	Very low	48.3	Very low	87 Å²	87	91.6 Å²	91.6	61%	0.608	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-23.3	-175.8	67.4	0	0	0	0	114.1	D430	D430-S432 PolarHBondContact O-N 3.24Å; D430-S432 VanDerWaalsContact O-N 3.08Å; D430-S432 PolarHBondContact OD1-N 3.24Å; D430-S432 PolarHBondContact OD1-OG 3.28Å; D430-S432 PolarHBondContact OD2-OG 3.29Å
433	N	50.7	Low	50.1	Low	128 Å²	128	88 Å²	88	68%	0.684	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-16.4	-175	-75.1	-44.9	0	0	0	114.5	D430	D430-N433 PolarHBondContact O-N 3.13Å; D430-N433 PolarHBondContact OD2-ND2 3.16Å
434	D	58.7	Low	52	Low	56 Å²	56	86 Å²	86	30%	0.299	47%	0.471	S	S	.	.			trans	-100	11.6	-175.5	-90.2	-21	0	0	0	114.6	I428 Q436 D437 V438	I428-D434 HydrophobicContact CG2-CB 3.89Å; D434-Q436 PolarHBondContact O-N 3.5Å; D434-D437 PolarHBondContact O-N 3.01Å; D434-D437 VanDerWaalsContact O-N 3.14Å; D434-V438 WeakPolarHBondContact O-CG2 3.2Å; D434-V438 PolarHBondContact O-N 3.21Å
435	L	55.9	Low	53.6	Low	68 Å²	68	85.9 Å²	85.9	36%	0.356	46%	0.463	S	S	.	.	H	α-helix	trans	-61.3	-34.3	-176	-156.1	72.6	0	0	0	112.6	Q439 N462	L435-Q439 WeakPolarHBondContact O-CB 3.35Å; L435-Q439 VanDerWaalsContact O-CG 3.25Å; L435-Q439 WeakPolarHBondContact O-CG 3.01Å; L435-Q439 PolarHBondContact O-N 3.24Å; L435-N462 WeakPolarHBondContact CD2-ND2 3.37Å
436	Q	67.1	Low	55	Low	113 Å²	113	83 Å²	83	53%	0.528	44%	0.442	S	S	.	.	H	α-helix	trans	-70.8	-41.7	175.8	-169.6	64	51.2	0	0	111.6	D434 V438 Q439 D440	D434-Q436 PolarHBondContact O-N 3.5Å; Q436-V438 VanDerWaalsContact C-N 3.31Å; Q436-V438 PolarHBondContact O-N 2.68Å; Q436-Q439 WeakPolarHBondContact O-CB 3.38Å; Q436-Q439 PolarHBondContact O-N 3.21Å; Q436-Q439 VanDerWaalsContact O-N 3.14Å; Q436-D440 PolarHBondContact NE2-OD1 3.1Å; Q436-D440 WeakPolarHBondContact O-CB 3.47Å; Q436-D440 PolarHBondContact O-N 3.02Å
437	D	63	Low	56.7	Low	65 Å²	65	80.6 Å²	80.6	35%	0.348	43%	0.425	S	S	.	.	H	α-helix	trans	-67.4	-35.2	178.5	-166.4	47.7	0	0	0	111.2	D434 K441	D434-D437 PolarHBondContact O-N 3.01Å; D434-D437 VanDerWaalsContact O-N 3.14Å; D437-K441 VanDerWaalsContact O-CB 3.29Å; D437-K441 WeakPolarHBondContact O-CB 3.2Å; D437-K441 WeakPolarHBondContact O-CG 3.46Å; D437-K441 PolarHBondContact O-N 3.03Å; D437-K441 IonicContact OD1-NZ 3.61Å; D437-K441 WeakPolarHBondContact OD2-CE 3.32Å; D437-K441 IonicContact OD2-NZ 2.74Å; D437-K441 PolarHBondContact OD2-NZ 3.21Å
438	V	58.5	Low	57.6	Low	37 Å²	37	83.9 Å²	83.9	22%	0.224	43%	0.425	C	S	.	.	H	α-helix	trans	-63.1	-47.1	169.1	173.9	0	0	0	0	110.6	I428 D434 Q436 L442	I428-V438 HydrophobicContact CD1-CG2 3.6Å; D434-V438 WeakPolarHBondContact O-CG2 3.2Å; D434-V438 PolarHBondContact O-N 3.21Å; Q436-V438 VanDerWaalsContact C-N 3.31Å; Q436-V438 PolarHBondContact O-N 2.68Å; V438-L442 HydrophobicContact CG1-CD1 4.4Å; V438-L442 VanDerWaalsContact O-CB 3.31Å; V438-L442 WeakPolarHBondContact O-CB 3.15Å; V438-L442 PolarHBondContact O-N 2.87Å
439	Q	65.5	Low	58.5	Low	34 Å²	34	83.4 Å²	83.4	16%	0.159	44%	0.441	C	S	.	.	H	α-helix	trans	-59.8	-47.3	177.3	-77.5	176.1	-18.2	0	0	112	L435 Q436 L442 E443 V459 N462	L435-Q439 WeakPolarHBondContact O-CB 3.35Å; L435-Q439 VanDerWaalsContact O-CG 3.25Å; L435-Q439 WeakPolarHBondContact O-CG 3.01Å; L435-Q439 PolarHBondContact O-N 3.24Å; Q436-Q439 WeakPolarHBondContact O-CB 3.38Å; Q436-Q439 PolarHBondContact O-N 3.21Å; Q436-Q439 VanDerWaalsContact O-N 3.14Å; Q439-L442 PolarHBondContact O-N 3.02Å; Q439-E443 WeakPolarHBondContact O-CG 3.33Å; Q439-E443 PolarHBondContact O-N 3.4Å; Q439-V459 HydrophobicContact CG-CG1 4.21Å; Q439-N462 VanDerWaalsContact NE2-CG 3.3Å; Q439-N462 PolarHBondContact NE2-ND2 3.3Å; Q439-N462 PolarHBondContact NE2-OD1 2.96Å
440	D	68.4	Low	59	Low	71 Å²	71	78.9 Å²	78.9	38%	0.38	42%	0.422	S	S	.	.	H	α-helix	trans	-66.4	-40.7	-177.7	-67.4	-5.7	0	0	0	111.4	Q436 E443 Q444	Q436-D440 PolarHBondContact NE2-OD1 3.1Å; Q436-D440 WeakPolarHBondContact O-CB 3.47Å; Q436-D440 PolarHBondContact O-N 3.02Å; D440-E443 PolarHBondContact O-N 2.89Å; D440-Q444 PolarHBondContact O-N 2.74Å
441	K	66.4	Low	59.1	Low	75 Å²	75	80.9 Å²	80.9	33%	0.326	44%	0.438	S	S	.	.	H	α-helix	trans	-65.9	-39.4	172.9	-78	170.6	178.6	155.2	0	111.9	D437 Q444 I445	D437-K441 VanDerWaalsContact O-CB 3.29Å; D437-K441 WeakPolarHBondContact O-CB 3.2Å; D437-K441 WeakPolarHBondContact O-CG 3.46Å; D437-K441 PolarHBondContact O-N 3.03Å; D437-K441 IonicContact OD1-NZ 3.61Å; D437-K441 WeakPolarHBondContact OD2-CE 3.32Å; D437-K441 IonicContact OD2-NZ 2.74Å; D437-K441 PolarHBondContact OD2-NZ 3.21Å; K441-Q444 PolarHBondContact O-N 3.32Å; K441-I445 WeakPolarHBondContact O-CB 3.42Å; K441-I445 WeakPolarHBondContact O-CD1 3.25Å; K441-I445 WeakPolarHBondContact O-CG1 3.49Å; K441-I445 PolarHBondContact O-N 3.24Å
442	L	59.5	Low	59.4	Low	62 Å²	62	86 Å²	86	33%	0.325	45%	0.452	S	S	.	.	H	α-helix	trans	-68.9	-39.4	177.8	-132.3	128.1	0	0	0	111.3	V438 Q439 I445 L446 L480	V438-L442 HydrophobicContact CG1-CD1 4.4Å; V438-L442 VanDerWaalsContact O-CB 3.31Å; V438-L442 WeakPolarHBondContact O-CB 3.15Å; V438-L442 PolarHBondContact O-N 2.87Å; Q439-L442 PolarHBondContact O-N 3.02Å; L442-I445 PolarHBondContact O-N 3.23Å; L442-L446 HydrophobicContact CD2-CD1 3.7Å; L442-L446 HydrophobicContact CD2-CG 4.17Å; L442-L446 VanDerWaalsContact O-CB 3.29Å; L442-L446 WeakPolarHBondContact O-CB 3.35Å; L442-L446 WeakPolarHBondContact O-CD1 3.44Å; L442-L446 WeakPolarHBondContact O-CG 3.33Å; L442-L446 PolarHBondContact O-N 3.13Å; L442-L480 HydrophobicContact CB-CD1 4.33Å; L442-L480 HydrophobicContact CD1-CD1 3.89Å; L442-L480 HydrophobicContact CD2-CD1 3.71Å; L442-L480 HydrophobicContact CG-CD1 4.17Å
443	E	67.7	Low	59.2	Low	44 Å²	44	86.6 Å²	86.6	21%	0.206	46%	0.456	C	S	.	.	H	α-helix	trans	-62.6	-40.9	170.8	-75.6	-169.7	175.1	0	0	111.5	Q439 D440 N447 K458 V459	Q439-E443 WeakPolarHBondContact O-CG 3.33Å; Q439-E443 PolarHBondContact O-N 3.4Å; D440-E443 PolarHBondContact O-N 2.89Å; E443-N447 VanDerWaalsContact O-CB 3.3Å; E443-N447 WeakPolarHBondContact O-CB 3.24Å; E443-N447 PolarHBondContact O-N 3.05Å; E443-N447 PolarHBondContact O-ND2 2.89Å; E443-K458 WeakPolarHBondContact OE1-CA 3.42Å; E443-K458 VanDerWaalsContact OE1-CG 3.26Å; E443-K458 WeakPolarHBondContact OE1-CG 3.38Å; E443-V459 HydrophobicContact CG-CB 4.38Å; E443-V459 HydrophobicContact CG-CG2 3.76Å; E443-V459 PolarHBondContact OE1-N 3.12Å
444	Q	66.4	Low	59.3	Low	121 Å²	121	85.5 Å²	85.5	57%	0.565	46%	0.458	S	S	*	.	H	α-helix	trans	-63	-41.7	173.2	-84.9	-169.8	20.6	0	0	112.6	D440 K441 R448	D440-Q444 PolarHBondContact O-N 2.74Å; K441-Q444 PolarHBondContact O-N 3.32Å; Q444-R448 WeakPolarHBondContact O-CB 3.22Å; Q444-R448 VanDerWaalsContact O-CG 3.32Å; Q444-R448 WeakPolarHBondContact O-CG 3.44Å; Q444-R448 PolarHBondContact O-N 3.04Å
445	I	66.4	Low	59.2	Low	120 Å²	120	84.8 Å²	84.8	62%	0.615	46%	0.456	S	S	*	.	H	α-helix	trans	-67	-46.8	178.6	-70.5	163.6	0	0	0	110.3	K441 L442 N447 R448	K441-I445 WeakPolarHBondContact O-CB 3.42Å; K441-I445 WeakPolarHBondContact O-CD1 3.25Å; K441-I445 WeakPolarHBondContact O-CG1 3.49Å; K441-I445 PolarHBondContact O-N 3.24Å; L442-I445 PolarHBondContact O-N 3.23Å; I445-N447 VanDerWaalsContact C-N 3.28Å; I445-N447 PolarHBondContact O-N 2.79Å; I445-R448 PolarHBondContact O-N 2.77Å
446	L	60.2	Low	59.2	Low	61 Å²	61	88.5 Å²	88.5	32%	0.319	47%	0.466	S	S	.	.	H	α-helix	trans	-63.7	-34.5	179.9	-74.4	167.6	0	0	0	112.3	L442 I450 L482	L442-L446 HydrophobicContact CD2-CD1 3.7Å; L442-L446 HydrophobicContact CD2-CG 4.17Å; L442-L446 VanDerWaalsContact O-CB 3.29Å; L442-L446 WeakPolarHBondContact O-CB 3.35Å; L442-L446 WeakPolarHBondContact O-CD1 3.44Å; L442-L446 WeakPolarHBondContact O-CG 3.33Å; L442-L446 PolarHBondContact O-N 3.13Å; L446-I450 WeakPolarHBondContact O-CD1 3.31Å; L446-L482 HydrophobicContact CD1-CD1 3.57Å; L446-L482 HydrophobicContact CD1-CD2 3.47Å; L446-L482 VanDerWaalsContact CD1-CD2 3.47Å; L446-L482 HydrophobicContact CD1-CG 4.16Å; L446-L482 HydrophobicContact CD2-CD1 4.17Å
447	N	68.2	Low	58.9	Low	29 Å²	29	86.9 Å²	86.9	16%	0.155	46%	0.456	C	S	.	.	H	α-helix	trans	-94.1	-6.7	179.5	-62.2	-59	0	0	0	113.1	E443 I445 G449 Y456 Y457	E443-N447 VanDerWaalsContact O-CB 3.3Å; E443-N447 WeakPolarHBondContact O-CB 3.24Å; E443-N447 PolarHBondContact O-N 3.05Å; E443-N447 PolarHBondContact O-ND2 2.89Å; I445-N447 VanDerWaalsContact C-N 3.28Å; I445-N447 PolarHBondContact O-N 2.79Å; N447-G449 PolarHBondContact O-N 3.27Å; N447-Y456 HydrophobicContact CB-CE1 4.33Å; N447-Y457 PolarHBondContact ND2-O 3.24Å; N447-Y457 PolarHBondContact OD1-N 3.14Å; N447-Y457 VanDerWaalsContact OD1-N 3.15Å
448	R	56.1	Low	59.2	Low	179 Å²	179	89.2 Å²	89.2	68%	0.675	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	118.3	171.9	-100.4	180	169.8	175.9	-1.7	109.8	Q444 I445	Q444-R448 WeakPolarHBondContact O-CB 3.22Å; Q444-R448 VanDerWaalsContact O-CG 3.32Å; Q444-R448 WeakPolarHBondContact O-CG 3.44Å; Q444-R448 PolarHBondContact O-N 3.04Å; I445-R448 PolarHBondContact O-N 2.77Å
449	G	53.9	Low	59.6	Low	72 Å²	72	88.1 Å²	88.1	74%	0.742	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.6	6.9	171.6	0	0	0	0	0	115.4	N447 P451	N447-G449 PolarHBondContact O-N 3.27Å; G449-P451 WeakPolarHBondContact O-CD 3.45Å; G449-P451 WeakPolarHBondContact O-CG 3.29Å
450	I	53.7	Low	59.8	Low	78 Å²	78	89.8 Å²	89.8	40%	0.4	47%	0.468	S	S	.	.			trans	-77.8	104.5	168.4	-56.7	-179.8	0	0	0	108.8	L446 Y457	L446-I450 WeakPolarHBondContact O-CD1 3.31Å; I450-Y457 HydrophobicContact CD1-CD2 4.13Å; I450-Y457 HydrophobicContact CD1-CE2 4.09Å
451	P	45.4	Very low	59.9	Low	112 Å²	112	91.8 Å²	91.8	73%	0.727	48%	0.476	S	S	*	.			trans	-94.2	108.3	-179	10.8	12.9	0	0	0	108	G449	G449-P451 WeakPolarHBondContact O-CD 3.45Å; G449-P451 WeakPolarHBondContact O-CG 3.29Å
452	K	47.8	Very low	59.4	Low	195 Å²	195	90.8 Å²	90.8	85%	0.848	47%	0.474	S	S	*	.	S	Bend	trans	76.3	136.6	171.6	-56.2	173.4	174.1	175.4	0	116.5
453	S	44.6	Very low	59	Low	98 Å²	98	94.4 Å²	94.4	69%	0.685	49%	0.487	S	S	*	.	S	Bend	trans	87.5	100.4	169.7	71.3	0	0	0	0	118.5	V455	S453-V455 VanDerWaalsContact C-N 3.31Å; S453-V455 PolarHBondContact O-N 3Å
454	S	51.6	Low	57.7	Low	105 Å²	105	97.4 Å²	97.4	73%	0.734	50%	0.502	S	S	*	.	S	Bend	trans	54.5	-6.7	141.9	50.9	0	0	0	0	123
455	V	56.5	Low	56.5	Low	41 Å²	41	94.8 Å²	94.8	25%	0.248	50%	0.501	C	S	.	.			trans	-118.3	120.8	-172.8	-177.8	0	0	0	0	111.8	S453 Y457 E484	S453-V455 VanDerWaalsContact C-N 3.31Å; S453-V455 PolarHBondContact O-N 3Å; V455-Y457 HydrophobicContact CG1-CD2 4.31Å; V455-Y457 HydrophobicContact CG1-CE1 4.34Å; V455-Y457 HydrophobicContact CG1-CE2 3.82Å; V455-E484 HydrophobicContact CG1-CB 3.94Å; V455-E484 VanDerWaalsContact CG1-CD 3.4Å; V455-E484 HydrophobicContact CG1-CG 3.39Å; V455-E484 WeakPolarHBondContact CG1-OE1 3.36Å
456	Y	55.8	Low	55.3	Low	146 Å²	146	91.8 Å²	91.8	57%	0.573	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	126.8	169.9	-134.3	-92.3	0	0	0	108.9	N447 E484 T485	N447-Y456 HydrophobicContact CB-CE1 4.33Å; Y456-E484 WeakPolarHBondContact O-CA 3.23Å; Y456-T485 PolarHBondContact O-N 2.74Å
457	Y	61.8	Low	54.2	Low	80 Å²	80	92.6 Å²	92.6	31%	0.314	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	123.3	175.5	-66.9	-83.9	0	0	0	109.7	N447 I450 V455 L482 E484	N447-Y457 PolarHBondContact ND2-O 3.24Å; N447-Y457 PolarHBondContact OD1-N 3.14Å; N447-Y457 VanDerWaalsContact OD1-N 3.15Å; I450-Y457 HydrophobicContact CD1-CD2 4.13Å; I450-Y457 HydrophobicContact CD1-CE2 4.09Å; V455-Y457 HydrophobicContact CG1-CD2 4.31Å; V455-Y457 HydrophobicContact CG1-CE1 4.34Å; V455-Y457 HydrophobicContact CG1-CE2 3.82Å; Y457-L482 HydrophobicContact CD1-CB 4.13Å; Y457-L482 HydrophobicContact CD1-CD1 4.42Å; Y457-E484 HydrophobicContact CD1-CG 4.37Å; Y457-E484 HydrophobicContact CE1-CG 3.93Å
458	K	69.1	Low	52.7	Low	114 Å²	114	93.9 Å²	93.9	50%	0.496	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	134.6	170.6	-168.1	176.6	-178.2	172.3	0	109.4	E443 T460 L482 K483 T485	E443-K458 WeakPolarHBondContact OE1-CA 3.42Å; E443-K458 VanDerWaalsContact OE1-CG 3.26Å; E443-K458 WeakPolarHBondContact OE1-CG 3.38Å; K458-T460 PolarHBondContact O-N 3.04Å; K458-L482 WeakPolarHBondContact O-CA 3.42Å; K458-K483 PolarHBondContact N-O 3.1Å; K458-K483 PolarHBondContact O-N 3.45Å; K458-T485 HydrophobicContact CB-CG2 4.09Å
459	V	66.3	Low	52	Low	14 Å²	14	91.4 Å²	91.4	9%	0.085	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	115.8	169.8	178	0	0	0	0	107.6	Q439 E443 L480 L482	Q439-V459 HydrophobicContact CG-CG1 4.21Å; E443-V459 HydrophobicContact CG-CB 4.38Å; E443-V459 HydrophobicContact CG-CG2 3.76Å; E443-V459 PolarHBondContact OE1-N 3.12Å; V459-L480 HydrophobicContact CG1-CB 4.2Å; V459-L480 HydrophobicContact CG1-CD1 4.41Å; V459-L480 HydrophobicContact CG1-CD2 3.97Å; V459-L480 HydrophobicContact CG1-CG 4.43Å; V459-L480 HydrophobicContact CG2-CD1 4.18Å; V459-L482 HydrophobicContact CB-CD2 4.4Å; V459-L482 HydrophobicContact CG2-CD2 3.61Å
460	T	70.9	Confident	51.4	Low	68 Å²	68	93.9 Å²	93.9	42%	0.417	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-28.7	-177.8	46.5	0	0	0	0	113.9	K458 Q481 K483	K458-T460 PolarHBondContact O-N 3.04Å; T460-Q481 PolarHBondContact N-O 3.23Å; T460-Q481 PolarHBondContact OG1-O 3.27Å; T460-K483 HydrophobicContact CG2-CB 3.31Å; T460-K483 HydrophobicContact CG2-CD 3.98Å; T460-K483 HydrophobicContact CG2-CG 4.28Å
461	E	69.4	Low	51.9	Low	114 Å²	114	93.8 Å²	93.8	53%	0.533	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	139.6	-177	-156.9	173.4	-171.4	0	0	110.9	Q481	E461-Q481 HydrophobicContact CB-CB 4.15Å; E461-Q481 PolarHBondContact N-O 3Å; E461-Q481 PolarHBondContact O-N 3.07Å
462	N	56.8	Low	52.1	Low	54 Å²	54	98.4 Å²	98.4	29%	0.289	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	106.8	167.1	-66.9	-23.2	0	0	0	107.7	L435 Q439 L480	L435-N462 WeakPolarHBondContact CD2-ND2 3.37Å; Q439-N462 VanDerWaalsContact NE2-CG 3.3Å; Q439-N462 PolarHBondContact NE2-ND2 3.3Å; Q439-N462 PolarHBondContact NE2-OD1 2.96Å; N462-L480 HydrophobicContact CB-CD2 4.44Å; N462-L480 WeakPolarHBondContact OD1-CD2 3.2Å
463	K	50.7	Low	51.4	Low	138 Å²	138	95.8 Å²	95.8	60%	0.6	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	-33.2	179.4	-80.1	-151.6	176.9	-170.4	0	113.3	I479 Q481	K463-I479 HydrophobicContact CB-CB 4.26Å; K463-I479 HydrophobicContact CB-CG2 3.99Å; K463-I479 PolarHBondContact N-O 3.28Å; K463-Q481 HydrophobicContact CG-CB 4.4Å
464	M	40.1	Very low	51	Low	107 Å²	107	94.9 Å²	94.9	53%	0.527	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	140.8	-177.2	-154.5	176.4	-163.8	0	0	110.2	V466 V478 I479	M464-V466 HydrophobicContact CE-CG2 3.53Å; M464-V466 HydrophobicContact CG-CG2 3.66Å; M464-V466 HydrophobicContact SD-CG2 3.47Å; M464-V466 WeakPolarHBondContact SD-CG2 3.4Å; M464-V478 CarbonylContact O-C 3.55Å; M464-V478 VanDerWaalsContact O-CA 3.31Å; M464-V478 WeakPolarHBondContact O-CA 3.14Å; M464-I479 HydrophobicContact CB-CB 4.19Å; M464-I479 HydrophobicContact CB-CD1 4.06Å; M464-I479 HydrophobicContact CB-CG1 4.22Å; M464-I479 PolarHBondContact N-O 3.43Å; M464-I479 PolarHBondContact O-N 3.08Å; M464-I479 HydrophobicContact SD-CD1 4.42Å
465	A	40.4	Very low	50.3	Low	66 Å²	66	93.2 Å²	93.2	55%	0.545	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	113.1	160.2	0	0	0	0	0	107.1	V477 V478	A465-V477 CarbonylContact C-O 3.54Å; A465-V477 VanDerWaalsContact CA-O 3.29Å; A465-V477 WeakPolarHBondContact CA-O 3.31Å; A465-V478 HydrophobicContact CB-CG2 4.15Å
466	V	41.1	Very low	49.5	Very low	56 Å²	56	93.8 Å²	93.8	34%	0.339	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	113.1	175.7	-174.6	0	0	0	0	108.4	M464 C468 A476 V477	M464-V466 HydrophobicContact CE-CG2 3.53Å; M464-V466 HydrophobicContact CG-CG2 3.66Å; M464-V466 HydrophobicContact SD-CG2 3.47Å; M464-V466 WeakPolarHBondContact SD-CG2 3.4Å; V466-C468 PolarHBondContact O-N 3.4Å; V466-A476 CarbonylContact O-C 3.47Å; V466-A476 WeakPolarHBondContact O-CA 3.48Å; V466-V477 PolarHBondContact N-O 3.02Å; V466-V477 PolarHBondContact O-N 3.21Å
467	T	38.2	Very low	48.5	Very low	78 Å²	78	90.4 Å²	90.4	48%	0.479	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	106.8	170.5	-41.1	0	0	0	0	109.3	T475	T467-T475 CarbonylContact C-O 3.52Å; T467-T475 WeakPolarHBondContact CA-O 3.32Å
468	C	36.2	Very low	47.7	Very low	57 Å²	57	88.9 Å²	88.9	39%	0.385	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	118.4	171.3	-69.5	0	0	0	0	109.4	V466 I470 T475	V466-C468 PolarHBondContact O-N 3.4Å; C468-I470 PolarHBondContact O-N 2.91Å; C468-T475 PolarHBondContact N-O 2.65Å; C468-T475 PolarHBondContact O-N 2.87Å
469	N	42.5	Very low	46.4	Very low	126 Å²	126	87.5 Å²	87.5	67%	0.674	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	111.9	169.4	-68.4	-32.7	0	0	0	109.2	H473 S474	N469-H473 CarbonylContact C-O 3.56Å; N469-H473 WeakPolarHBondContact CA-O 2.97Å; N469-S474 WeakPolarHBondContact OD1-CA 3.36Å; N469-S474 WeakPolarHBondContact OD1-CB 3.23Å
470	I	39.5	Very low	45.7	Very low	125 Å²	125	88.5 Å²	88.5	64%	0.641	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	99.8	170.8	-56.4	179.2	0	0	0	107.2	C468 K472 H473	C468-I470 PolarHBondContact O-N 2.91Å; I470-K472 PolarHBondContact O-N 3.24Å; I470-H473 PolarHBondContact N-O 3.13Å; I470-H473 PolarHBondContact O-N 3.16Å
471	G	64.2	Low	45	Very low	76 Å²	76	89 Å²	89	78%	0.784	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	-126.3	-175.2	0	0	0	0	0	112.2	H473	G471-H473 VanDerWaalsContact C-N 3.3Å
472	K	51.2	Low	44.4	Very low	208 Å²	208	86.7 Å²	86.7	90%	0.904	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	0.7	175.9	-67.1	-175.2	179.2	179.4	0	113.4	I470	I470-K472 PolarHBondContact O-N 3.24Å
473	H	33.4	Very low	44.9	Very low	140 Å²	140	90.5 Å²	90.5	65%	0.648	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.6	-178.8	-60.5	-69.7	0	0	0	110.4	N469 I470 G471	N469-H473 CarbonylContact C-O 3.56Å; N469-H473 WeakPolarHBondContact CA-O 2.97Å; I470-H473 PolarHBondContact N-O 3.13Å; I470-H473 PolarHBondContact O-N 3.16Å; G471-H473 VanDerWaalsContact C-N 3.3Å
474	S	35.5	Very low	45.4	Very low	80 Å²	80	89.1 Å²	89.1	56%	0.559	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	112.2	169.2	49.6	0	0	0	0	109	N469	N469-S474 WeakPolarHBondContact OD1-CA 3.36Å; N469-S474 WeakPolarHBondContact OD1-CB 3.23Å
475	T	37.4	Very low	46.2	Very low	70 Å²	70	85.9 Å²	85.9	43%	0.429	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	114.2	176.2	-59.1	0	0	0	0	109.3	T467 C468	T467-T475 CarbonylContact C-O 3.52Å; T467-T475 WeakPolarHBondContact CA-O 3.32Å; C468-T475 PolarHBondContact N-O 2.65Å; C468-T475 PolarHBondContact O-N 2.87Å
476	A	38.8	Very low	46.6	Very low	53 Å²	53	90 Å²	90	44%	0.438	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	119	171.8	0	0	0	0	0	110.8	V466	V466-A476 CarbonylContact O-C 3.47Å; V466-A476 WeakPolarHBondContact O-CA 3.48Å
477	V	35.9	Very low	46.7	Very low	74 Å²	74	92.7 Å²	92.7	45%	0.448	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	109.6	169.7	-179.2	0	0	0	0	107.7	A465 V466	A465-V477 CarbonylContact C-O 3.54Å; A465-V477 VanDerWaalsContact CA-O 3.29Å; A465-V477 WeakPolarHBondContact CA-O 3.31Å; V466-V477 PolarHBondContact N-O 3.02Å; V466-V477 PolarHBondContact O-N 3.21Å
478	V	44.9	Very low	46.7	Very low	49 Å²	49	98.4 Å²	98.4	30%	0.297	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	120.3	176.4	-170.4	0	0	0	0	109.6	M464 A465 L480	M464-V478 CarbonylContact O-C 3.55Å; M464-V478 VanDerWaalsContact O-CA 3.31Å; M464-V478 WeakPolarHBondContact O-CA 3.14Å; A465-V478 HydrophobicContact CB-CG2 4.15Å; V478-L480 HydrophobicContact CG1-CD2 3.56Å; V478-L480 HydrophobicContact CG1-CG 4.02Å
479	I	41.2	Very low	46.6	Very low	85 Å²	85	105 Å²	105	44%	0.436	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.5	116.1	173.6	-55.4	-179.9	0	0	0	107.8	K463 M464	K463-I479 HydrophobicContact CB-CB 4.26Å; K463-I479 HydrophobicContact CB-CG2 3.99Å; K463-I479 PolarHBondContact N-O 3.28Å; M464-I479 HydrophobicContact CB-CB 4.19Å; M464-I479 HydrophobicContact CB-CD1 4.06Å; M464-I479 HydrophobicContact CB-CG1 4.22Å; M464-I479 PolarHBondContact N-O 3.43Å; M464-I479 PolarHBondContact O-N 3.08Å; M464-I479 HydrophobicContact SD-CD1 4.42Å
480	L	51	Low	46.4	Very low	34 Å²	34	103.9 Å²	103.9	18%	0.178	57%	0.565	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.8	137.8	-178.3	-59	177.2	0	0	0	110.6	L442 V459 N462 V478	L442-L480 HydrophobicContact CB-CD1 4.33Å; L442-L480 HydrophobicContact CD1-CD1 3.89Å; L442-L480 HydrophobicContact CD2-CD1 3.71Å; L442-L480 HydrophobicContact CG-CD1 4.17Å; V459-L480 HydrophobicContact CG1-CB 4.2Å; V459-L480 HydrophobicContact CG1-CD1 4.41Å; V459-L480 HydrophobicContact CG1-CD2 3.97Å; V459-L480 HydrophobicContact CG1-CG 4.43Å; V459-L480 HydrophobicContact CG2-CD1 4.18Å; N462-L480 HydrophobicContact CB-CD2 4.44Å; N462-L480 WeakPolarHBondContact OD1-CD2 3.2Å; V478-L480 HydrophobicContact CG1-CD2 3.56Å; V478-L480 HydrophobicContact CG1-CG 4.02Å
481	Q	57.1	Low	46.1	Very low	78 Å²	78	104.5 Å²	104.5	36%	0.364	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.7	117.5	170.7	-176.1	169	-24.6	0	0	109.8	T460 E461 K463	T460-Q481 PolarHBondContact N-O 3.23Å; T460-Q481 PolarHBondContact OG1-O 3.27Å; E461-Q481 HydrophobicContact CB-CB 4.15Å; E461-Q481 PolarHBondContact N-O 3Å; E461-Q481 PolarHBondContact O-N 3.07Å; K463-Q481 HydrophobicContact CG-CB 4.4Å
482	L	56.3	Low	44.8	Very low	67 Å²	67	109.2 Å²	109.2	35%	0.351	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.7	144.2	177.7	-58.8	171	0	0	0	110.8	L446 Y457 K458 V459	L446-L482 HydrophobicContact CD1-CD1 3.57Å; L446-L482 HydrophobicContact CD1-CD2 3.47Å; L446-L482 VanDerWaalsContact CD1-CD2 3.47Å; L446-L482 HydrophobicContact CD1-CG 4.16Å; L446-L482 HydrophobicContact CD2-CD1 4.17Å; Y457-L482 HydrophobicContact CD1-CB 4.13Å; Y457-L482 HydrophobicContact CD1-CD1 4.42Å; K458-L482 WeakPolarHBondContact O-CA 3.42Å; V459-L482 HydrophobicContact CB-CD2 4.4Å; V459-L482 HydrophobicContact CG2-CD2 3.61Å
483	K	66.4	Low	44.3	Very low	133 Å²	133	104 Å²	104	58%	0.578	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-127.1	135.7	170	-169.7	-178.3	177.1	-179.5	0	109.7	K458 T460	K458-K483 PolarHBondContact N-O 3.1Å; K458-K483 PolarHBondContact O-N 3.45Å; T460-K483 HydrophobicContact CG2-CB 3.31Å; T460-K483 HydrophobicContact CG2-CD 3.98Å; T460-K483 HydrophobicContact CG2-CG 4.28Å
484	E	62.8	Low	44.7	Very low	109 Å²	109	102.9 Å²	102.9	51%	0.509	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-67.7	133.5	168.6	-62.9	-171.6	149.8	0	0	109.9	V455 Y456 Y457	V455-E484 HydrophobicContact CG1-CB 3.94Å; V455-E484 VanDerWaalsContact CG1-CD 3.4Å; V455-E484 HydrophobicContact CG1-CG 3.39Å; V455-E484 WeakPolarHBondContact CG1-OE1 3.36Å; Y456-E484 WeakPolarHBondContact O-CA 3.23Å; Y457-E484 HydrophobicContact CD1-CG 4.37Å; Y457-E484 HydrophobicContact CE1-CG 3.93Å
485	T	55.9	Low	45	Very low	39 Å²	39	104.7 Å²	104.7	24%	0.239	57%	0.566	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.9	132.1	175.3	62	0	0	0	0	111.5	Y456 K458	Y456-T485 PolarHBondContact O-N 2.74Å; K458-T485 HydrophobicContact CB-CG2 4.09Å
486	N	50	Low	45.5	Very low	152 Å²	152	107.6 Å²	107.6	81%	0.813	57%	0.57	S	S	*	*			trans	-90.4	91.3	172.9	-63.6	-20.4	0	0	0	108.6
487	C	41.8	Very low	46	Very low	114 Å²	114	106.7 Å²	106.7	77%	0.77	56%	0.56	S	S	*	*			trans	-102.2	115.6	171.6	-70.5	0	0	0	0	110.3
488	E	38.5	Very low	46.6	Very low	198 Å²	198	108.9 Å²	108.9	93%	0.925	56%	0.563	S	S	*	*			trans	-75.2	129.7	170.5	-71.6	-178.7	161.8	0	0	110.4
489	K	34.2	Very low	46.8	Very low	196 Å²	196	111.4 Å²	111.4	85%	0.852	58%	0.581	S	S	*	*			trans	-86.4	133.8	-178.5	-145.3	177.3	-172.6	-180	0	109.5	T491	K489-T491 PolarHBondContact O-N 2.76Å
490	S	38.2	Very low	47.2	Very low	101 Å²	101	114.9 Å²	114.9	71%	0.706	60%	0.595	S	S	*	*			trans	-33.5	129.5	171.2	168.2	0	0	0	0	113.3	E492	S490-E492 PolarHBondContact O-N 3.44Å
491	T	34.2	Very low	47.2	Very low	139 Å²	139	118 Å²	118	85%	0.853	61%	0.609	S	S	*	*	S	Bend	trans	-74.4	17.1	-163.8	44	0	0	0	0	117	K489	K489-T491 PolarHBondContact O-N 2.76Å
492	E	36	Very low	47	Very low	175 Å²	175	116.2 Å²	116.2	82%	0.818	60%	0.601	S	S	*	*			trans	-130.7	83.4	164	-74.7	-168.2	175.3	0	0	110.4	S490 F494	S490-E492 PolarHBondContact O-N 3.44Å; E492-F494 PolarHBondContact O-N 2.88Å
493	P	40.2	Very low	46.9	Very low	99 Å²	99	116.9 Å²	116.9	64%	0.643	61%	0.61	S	S	*	*			trans	-74.4	108	172.4	29.2	-29.5	0	0	0	108.8	T495	P493-T495 PolarHBondContact O-N 3.36Å
494	F	42.9	Very low	46.4	Very low	116 Å²	116	116.6 Å²	116.6	51%	0.509	62%	0.615	S	S	.	*			trans	-64.6	107.4	155.8	178.3	-99.5	0	0	0	107	E492 Y496 P517	E492-F494 PolarHBondContact O-N 2.88Å; F494-Y496 AromaticContact CE1-CD1 3.98Å; F494-Y496 HydrophobicContact CE1-CD1 3.98Å; F494-Y496 HydrophobicContact CE1-CE1 4.07Å; F494-Y496 HydrophobicContact CE1-CG 4.29Å; F494-P517 HydrophobicContact CE1-CB 4.47Å; F494-P517 HydrophobicContact CZ-CB 4.3Å
495	T	40.5	Very low	45.9	Very low	118 Å²	118	113.8 Å²	113.8	72%	0.724	61%	0.611	S	S	*	*			trans	-83.8	115.5	176.1	-28.2	0	0	0	0	107	P493	P493-T495 PolarHBondContact O-N 3.36Å
496	Y	49.5	Very low	46.4	Very low	130 Å²	130	114.5 Å²	114.5	51%	0.51	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-55.3	139.9	168.8	-77.1	-82.2	0	0	0	108.8	F494 K498 L516 P517	F494-Y496 AromaticContact CE1-CD1 3.98Å; F494-Y496 HydrophobicContact CE1-CD1 3.98Å; F494-Y496 HydrophobicContact CE1-CE1 4.07Å; F494-Y496 HydrophobicContact CE1-CG 4.29Å; Y496-K498 PolarHBondContact O-N 3.05Å; Y496-L516 HydrophobicContact CE1-CD1 4.31Å; Y496-P517 HydrophobicContact CD1-CG 4.09Å; Y496-P517 HydrophobicContact CE1-CB 4.46Å; Y496-P517 HydrophobicContact CE1-CG 4.26Å
497	P	48.4	Very low	47.4	Very low	35 Å²	35	110.8 Å²	110.8	23%	0.227	59%	0.586	C	S	.	*	P	Polyproline II helix	trans	-51.7	139.5	170.7	-19.9	29.4	0	0	0	108.9	E501 L502	P497-E501 VanDerWaalsContact CA-OE2 3.27Å; P497-E501 WeakPolarHBondContact CA-OE2 3.44Å; P497-E501 HydrophobicContact CB-CB 3.89Å; P497-L502 HydrophobicContact CB-CD2 4.26Å; P497-L502 HydrophobicContact CG-CD2 4.45Å
498	K	49.8	Very low	48.9	Very low	119 Å²	119	105.3 Å²	105.3	52%	0.517	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-58.2	151.5	174.5	-67.2	176.3	-175	165.5	0	108.8	Y496 E500 E501 L502	Y496-K498 PolarHBondContact O-N 3.05Å; K498-E500 PolarHBondContact O-N 2.94Å; K498-E501 HydrophobicContact CB-CG 4.17Å; K498-E501 PolarHBondContact N-OE2 2.96Å; K498-E501 WeakPolarHBondContact O-CA 3.05Å; K498-E501 WeakPolarHBondContact O-CB 3.19Å; K498-E501 PolarHBondContact O-N 2.63Å; K498-L502 PolarHBondContact O-N 2.7Å
499	P	47.2	Very low	50.3	Low	103 Å²	103	101 Å²	101	67%	0.669	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-51.5	-31	176.1	-27.5	35.6	0	0	0	113.3	E501 L502	P499-E501 VanDerWaalsContact C-N 3.3Å; P499-E501 PolarHBondContact O-N 3.31Å; P499-L502 PolarHBondContact O-N 3.43Å
500	E	51.4	Low	51.8	Low	157 Å²	157	98.1 Å²	98.1	73%	0.734	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-67.2	-25.2	174.1	-46.8	104	-128.1	0	0	114	K498	K498-E500 PolarHBondContact O-N 2.94Å
501	E	49.7	Very low	53.2	Low	101 Å²	101	93.8 Å²	93.8	47%	0.472	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-92.3	-8.3	-179.2	-62.9	169	178.7	0	0	112.8	P497 K498 P499 C503	P497-E501 VanDerWaalsContact CA-OE2 3.27Å; P497-E501 WeakPolarHBondContact CA-OE2 3.44Å; P497-E501 HydrophobicContact CB-CB 3.89Å; K498-E501 HydrophobicContact CB-CG 4.17Å; K498-E501 PolarHBondContact N-OE2 2.96Å; K498-E501 WeakPolarHBondContact O-CA 3.05Å; K498-E501 WeakPolarHBondContact O-CB 3.19Å; K498-E501 PolarHBondContact O-N 2.63Å; P499-E501 VanDerWaalsContact C-N 3.3Å; P499-E501 PolarHBondContact O-N 3.31Å; E501-C503 PolarHBondContact O-N 3.12Å
502	L	52.5	Low	55	Low	40 Å²	40	93 Å²	93	21%	0.209	49%	0.486	C	S	.	.			trans	-73.8	75.7	172.6	-66.2	173.6	0	0	0	109.2	P497 K498 P499 W506 Y514	P497-L502 HydrophobicContact CB-CD2 4.26Å; P497-L502 HydrophobicContact CG-CD2 4.45Å; K498-L502 PolarHBondContact O-N 2.7Å; P499-L502 PolarHBondContact O-N 3.43Å; L502-W506 HydrophobicContact CD2-CB 4.26Å; L502-W506 HydrophobicContact CD2-CD2 4.2Å; L502-W506 HydrophobicContact CD2-CG 3.95Å; L502-Y514 HydrophobicContact CB-CD1 3.88Å; L502-Y514 HydrophobicContact CB-CE1 3.79Å; L502-Y514 HydrophobicContact CD1-CD1 4.39Å; L502-Y514 HydrophobicContact CD1-CG 4.4Å; L502-Y514 WeakPolarHBondContact O-CE1 3.46Å
503	C	54	Low	56.7	Low	80 Å²	80	85.4 Å²	85.4	54%	0.541	45%	0.453	S	S	.	.			trans	-53.2	161.9	176.5	-57.7	0	0	0	0	111.7	E501 A505 W506	E501-C503 PolarHBondContact O-N 3.12Å; C503-A505 HydrophobicContact CB-CB 4.23Å; C503-A505 PolarHBondContact O-N 3.44Å; C503-W506 PolarHBondContact O-N 2.86Å
504	D	55.8	Low	58.5	Low	128 Å²	128	85 Å²	85	68%	0.684	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-49.4	-20.4	171.9	-80	-40	0	0	0	113.6	K507	D504-K507 VanDerWaalsContact O-CB 3.32Å; D504-K507 WeakPolarHBondContact O-CB 3.46Å; D504-K507 PolarHBondContact O-N 2.79Å; D504-K507 IonicContact OD1-NZ 3.19Å
505	A	54.2	Low	60.4	Low	50 Å²	50	80 Å²	80	41%	0.413	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-57.3	-41.6	170.6	0	0	0	0	0	114.1	C503 K507 F768	C503-A505 HydrophobicContact CB-CB 4.23Å; C503-A505 PolarHBondContact O-N 3.44Å; A505-K507 VanDerWaalsContact C-N 3.26Å; A505-K507 PolarHBondContact O-N 3.38Å; A505-F768 HydrophobicContact CB-CB 4.21Å; A505-F768 WeakPolarHBondContact O-CD1 3.2Å; A505-F768 WeakPolarHBondContact O-CE1 3.27Å
506	W	65.1	Low	62.4	Low	53 Å²	53	76 Å²	76	20%	0.201	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-76.5	-15.1	-179	-76.2	91.7	0	0	0	113.3	L502 C503 Y514 R515 P517 F768	L502-W506 HydrophobicContact CD2-CB 4.26Å; L502-W506 HydrophobicContact CD2-CD2 4.2Å; L502-W506 HydrophobicContact CD2-CG 3.95Å; C503-W506 PolarHBondContact O-N 2.86Å; W506-Y514 HydrophobicContact CB-CD1 3.71Å; W506-Y514 HydrophobicContact CB-CE1 4.46Å; W506-Y514 CarbonylContact O-C 3.58Å; W506-Y514 WeakPolarHBondContact O-CA 3.33Å; W506-R515 HydrophobicContact CE3-CB 4.31Å; W506-R515 PolarHBondContact O-N 2.88Å; W506-P517 HydrophobicContact CE3-CG 4Å; W506-P517 HydrophobicContact CH2-CB 3.42Å; W506-P517 VanDerWaalsContact CH2-CB 3.42Å; W506-P517 HydrophobicContact CH2-CG 3.56Å; W506-P517 HydrophobicContact CZ2-CB 4.39Å; W506-P517 HydrophobicContact CZ2-CG 4.29Å; W506-P517 HydrophobicContact CZ3-CB 3.59Å; W506-P517 HydrophobicContact CZ3-CG 3.4Å; W506-F768 HydrophobicContact CD2-CE1 4.27Å; W506-F768 AromaticContact CD2-CE2 3.92Å; W506-F768 HydrophobicContact CD2-CE2 3.92Å; W506-F768 AromaticContact CD2-CZ 3.72Å; W506-F768 HydrophobicContact CD2-CZ 3.72Å; W506-F768 AromaticContact CE2-CE2 3.85Å; W506-F768 HydrophobicContact CE3-CE1 4.09Å; W506-F768 AromaticContact CE3-CE2 3.76Å; W506-F768 HydrophobicContact CE3-CE2 3.76Å; W506-F768 AromaticContact CE3-CZ 3.3Å; W506-F768 HydrophobicContact CE3-CZ 3.3Å; W506-F768 HydrophobicContact CG-CZ 4.45Å; W506-F768 HydrophobicContact CH2-CD2 4.48Å; W506-F768 AromaticContact CH2-CE2 3.45Å; W506-F768 HydrophobicContact CH2-CE2 3.45Å; W506-F768 VanDerWaalsContact CH2-CE2 3.45Å; W506-F768 AromaticContact CH2-CZ 3.85Å; W506-F768 HydrophobicContact CH2-CZ 3.85Å; W506-F768 HydrophobicContact CZ2-CD2 4.32Å; W506-F768 AromaticContact CZ2-CE2 3.66Å; W506-F768 HydrophobicContact CZ2-CE2 3.66Å; W506-F768 HydrophobicContact CZ2-CZ 4.25Å; W506-F768 HydrophobicContact CZ3-CE1 4.49Å; W506-F768 AromaticContact CZ3-CE2 3.49Å; W506-F768 HydrophobicContact CZ3-CE2 3.49Å; W506-F768 VanDerWaalsContact CZ3-CE2 3.49Å; W506-F768 AromaticContact CZ3-CZ 3.34Å; W506-F768 HydrophobicContact CZ3-CZ 3.34Å
507	K	71.5	Confident	63.7	Low	74 Å²	74	70.4 Å²	70.4	32%	0.322	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-76.7	125.4	-176.2	-167.9	172.4	176.3	178.5	0	109.9	D504 A505 K509 T511 A513 Y514	D504-K507 VanDerWaalsContact O-CB 3.32Å; D504-K507 WeakPolarHBondContact O-CB 3.46Å; D504-K507 PolarHBondContact O-N 2.79Å; D504-K507 IonicContact OD1-NZ 3.19Å; A505-K507 VanDerWaalsContact C-N 3.26Å; A505-K507 PolarHBondContact O-N 3.38Å; K507-K509 PolarHBondContact O-N 3.18Å; K507-T511 WeakPolarHBondContact CD-O 2.78Å; K507-T511 WeakPolarHBondContact CE-O 3.39Å; K507-T511 WeakPolarHBondContact CG-O 3.4Å; K507-A513 CarbonylContact C-O 3.57Å; K507-A513 WeakPolarHBondContact CA-O 2.98Å; K507-Y514 HydrophobicContact CB-CD1 4.32Å; K507-Y514 HydrophobicContact CB-CE1 4.15Å
508	Y	74.1	Confident	65.2	Low	0 Å²	0	70 Å²	70	0%	0	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-65.5	127.3	174.8	-172.5	-101.2	0	0	0	109	D510 T511 A513 C537 T545 M575 G579 V580 R672 T674	Y508-D510 PolarHBondContact O-N 3.4Å; Y508-T511 HydrophobicContact CD1-CG2 3.67Å; Y508-T511 HydrophobicContact CE1-CG2 4.45Å; Y508-T511 WeakPolarHBondContact O-CA 3.35Å; Y508-T511 WeakPolarHBondContact O-CB 3.27Å; Y508-T511 PolarHBondContact O-N 3.44Å; Y508-T511 PolarHBondContact O-OG1 3.28Å; Y508-A513 PolarHBondContact N-O 3.45Å; Y508-C537 HydrophobicContact CD1-CB 4.43Å; Y508-C537 HydrophobicContact CE1-CB 4.32Å; Y508-T545 HydrophobicContact CD1-CG2 4.33Å; Y508-T545 HydrophobicContact CE1-CG2 4.05Å; Y508-M575 HydrophobicContact CD2-CB 4.49Å; Y508-M575 HydrophobicContact CD2-CE 4.23Å; Y508-M575 HydrophobicContact CD2-CG 4.01Å; Y508-M575 HydrophobicContact CE2-CG 4.31Å; Y508-M575 HydrophobicContact CG-CE 4Å; Y508-M575 HydrophobicContact CG-CG 4.42Å; Y508-G579 WeakPolarHBondContact OH-CA 3.42Å; Y508-V580 HydrophobicContact CE1-CG1 4.05Å; Y508-V580 HydrophobicContact CE1-CG2 4.49Å; Y508-V580 PolarHBondContact OH-N 3.3Å; Y508-R672 WeakPolarHBondContact CE2-O 3.16Å; Y508-R672 PolarHBondContact OH-O 3.15Å; Y508-T674 HydrophobicContact CE2-CG2 3.92Å
509	K	66.6	Low	66.5	Low	106 Å²	106	65.9 Å²	65.9	46%	0.461	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.9	130.1	-166.5	-175.3	177.9	176.6	174	0	112.4	K507 T511	K507-K509 PolarHBondContact O-N 3.18Å; K509-T511 WeakPolarHBondContact O-CG2 3.43Å; K509-T511 PolarHBondContact O-N 3.41Å
510	D	65.4	Low	67.5	Low	136 Å²	136	64.6 Å²	64.6	73%	0.727	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	22.8	-179.4	-49.8	-40.5	0	0	0	114.4	Y508	Y508-D510 PolarHBondContact O-N 3.4Å
511	T	68.6	Low	69	Low	10 Å²	10	63.5 Å²	63.5	6%	0.061	33%	0.331	C	S	.	.	S	Bend	trans	-132.7	165.2	177.9	82.4	0	0	0	0	111.7	K507 Y508 K509 A513 T545	K507-T511 WeakPolarHBondContact CD-O 2.78Å; K507-T511 WeakPolarHBondContact CE-O 3.39Å; K507-T511 WeakPolarHBondContact CG-O 3.4Å; Y508-T511 HydrophobicContact CD1-CG2 3.67Å; Y508-T511 HydrophobicContact CE1-CG2 4.45Å; Y508-T511 WeakPolarHBondContact O-CA 3.35Å; Y508-T511 WeakPolarHBondContact O-CB 3.27Å; Y508-T511 PolarHBondContact O-N 3.44Å; Y508-T511 PolarHBondContact O-OG1 3.28Å; K509-T511 WeakPolarHBondContact O-CG2 3.43Å; K509-T511 PolarHBondContact O-N 3.41Å; T511-A513 VanDerWaalsContact C-N 3.34Å; T511-A513 PolarHBondContact OG1-N 3.04Å; T511-A513 VanDerWaalsContact OG1-N 3.15Å; T511-T545 VanDerWaalsContact CG2-CB 3.41Å; T511-T545 HydrophobicContact CG2-CG2 3.79Å
512	T	71.1	Confident	70.7	Confident	123 Å²	123	61.9 Å²	61.9	76%	0.755	32%	0.321	S	S	*	.	S	Bend	trans	-88.9	-0.1	170	52.4	0	0	0	0	113.4	Y514	T512-Y514 WeakPolarHBondContact O-CD2 3.45Å; T512-Y514 WeakPolarHBondContact O-CE2 3.29Å
513	A	73.1	Confident	72.1	Confident	16 Å²	16	60.8 Å²	60.8	13%	0.132	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-85.4	140.7	-177.9	0	0	0	0	0	111.8	K507 Y508 T511 C547 M575	K507-A513 CarbonylContact C-O 3.57Å; K507-A513 WeakPolarHBondContact CA-O 2.98Å; Y508-A513 PolarHBondContact N-O 3.45Å; T511-A513 VanDerWaalsContact C-N 3.34Å; T511-A513 PolarHBondContact OG1-N 3.04Å; T511-A513 VanDerWaalsContact OG1-N 3.15Å; A513-C547 HydrophobicContact CB-CB 3.26Å; A513-C547 VanDerWaalsContact CB-SG 3.59Å; A513-M575 HydrophobicContact CB-CE 4.24Å
514	Y	77.5	Confident	73.7	Confident	89 Å²	89	60 Å²	60	35%	0.349	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-101.3	138.8	178.1	-66.1	-91.8	0	0	0	109.8	L502 W506 K507 T512 P535	L502-Y514 HydrophobicContact CB-CD1 3.88Å; L502-Y514 HydrophobicContact CB-CE1 3.79Å; L502-Y514 HydrophobicContact CD1-CD1 4.39Å; L502-Y514 HydrophobicContact CD1-CG 4.4Å; L502-Y514 WeakPolarHBondContact O-CE1 3.46Å; W506-Y514 HydrophobicContact CB-CD1 3.71Å; W506-Y514 HydrophobicContact CB-CE1 4.46Å; W506-Y514 CarbonylContact O-C 3.58Å; W506-Y514 WeakPolarHBondContact O-CA 3.33Å; K507-Y514 HydrophobicContact CB-CD1 4.32Å; K507-Y514 HydrophobicContact CB-CE1 4.15Å; T512-Y514 WeakPolarHBondContact O-CD2 3.45Å; T512-Y514 WeakPolarHBondContact O-CE2 3.29Å; Y514-P535 WeakPolarHBondContact O-CG 3.45Å
515	R	81.8	Confident	75.2	Confident	11 Å²	11	55.5 Å²	55.5	4%	0.042	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-62	141.2	170.7	-66.4	-175.2	177.9	-94.2	-3.7	109.6	W506 P517 T573 G574 M575 P671 N673 F768	W506-R515 HydrophobicContact CE3-CB 4.31Å; W506-R515 PolarHBondContact O-N 2.88Å; R515-P517 VanDerWaalsContact O-CD 3.32Å; R515-P517 WeakPolarHBondContact O-CD 3.47Å; R515-T573 PolarHBondContact NH1-O 3.11Å; R515-T573 PolarHBondContact NH1-OG1 2.89Å; R515-G574 CarbonylContact C-O 3.51Å; R515-G574 WeakPolarHBondContact CA-O 3Å; R515-M575 HydrophobicContact CG-CB 4.33Å; R515-M575 HydrophobicContact CG-CE 3.97Å; R515-P671 PolarHBondContact NH2-O 3.43Å; R515-N673 PolarHBondContact NH1-O 2.97Å; R515-N673 PolarHBondContact NH2-O 3.4Å; R515-F768 HydrophobicContact CB-CZ 4.38Å
516	L	82.9	Confident	76.7	Confident	34 Å²	34	63 Å²	63	18%	0.178	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-68.5	121.3	168.7	-177.8	68	0	0	0	108.8	Y496 V518 Y532 P534 G574	Y496-L516 HydrophobicContact CE1-CD1 4.31Å; L516-V518 WeakPolarHBondContact O-CG2 3.31Å; L516-V518 PolarHBondContact O-N 3.47Å; L516-Y532 HydrophobicContact CD2-CD2 3.77Å; L516-Y532 HydrophobicContact CD2-CE2 3.82Å; L516-P534 HydrophobicContact CB-CB 4.22Å; L516-G574 PolarHBondContact N-O 2.99Å; L516-G574 WeakPolarHBondContact O-CA 3.42Å
517	P	77.6	Confident	77.6	Confident	13 Å²	13	63.2 Å²	63.2	8%	0.084	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-55	119.9	170.7	-22.2	31.8	0	0	0	111.1	F494 Y496 W506 R515	F494-P517 HydrophobicContact CE1-CB 4.47Å; F494-P517 HydrophobicContact CZ-CB 4.3Å; Y496-P517 HydrophobicContact CD1-CG 4.09Å; Y496-P517 HydrophobicContact CE1-CB 4.46Å; Y496-P517 HydrophobicContact CE1-CG 4.26Å; W506-P517 HydrophobicContact CE3-CG 4Å; W506-P517 HydrophobicContact CH2-CB 3.42Å; W506-P517 VanDerWaalsContact CH2-CB 3.42Å; W506-P517 HydrophobicContact CH2-CG 3.56Å; W506-P517 HydrophobicContact CZ2-CB 4.39Å; W506-P517 HydrophobicContact CZ2-CG 4.29Å; W506-P517 HydrophobicContact CZ3-CB 3.59Å; W506-P517 HydrophobicContact CZ3-CG 3.4Å; R515-P517 VanDerWaalsContact O-CD 3.32Å; R515-P517 WeakPolarHBondContact O-CD 3.47Å
518	V	79.4	Confident	78	Confident	28 Å²	28	67.3 Å²	67.3	17%	0.17	33%	0.334	C	S	.	.			trans	-103.9	111.1	174.2	-170.6	0	0	0	0	107.7	L516 E520 V523 M529 Y532 R572	L516-V518 WeakPolarHBondContact O-CG2 3.31Å; L516-V518 PolarHBondContact O-N 3.47Å; V518-E520 PolarHBondContact O-N 2.96Å; V518-V523 HydrophobicContact CB-CG2 4.21Å; V518-V523 HydrophobicContact CG1-CG2 3.88Å; V518-M529 HydrophobicContact CG1-SD 4.33Å; V518-Y532 HydrophobicContact CG2-CD2 4.44Å; V518-Y532 HydrophobicContact CG2-CE2 3.52Å; V518-R572 HydrophobicContact CG1-CB 4.06Å; V518-R572 HydrophobicContact CG2-CB 4.21Å
519	P	77.1	Confident	78.3	Confident	31 Å²	31	68.8 Å²	68.8	20%	0.201	34%	0.341	C	S	.	.			trans	-56.8	141	172.5	-23.1	32.8	0	0	0	110.3	K521 Y522 V523	P519-K521 VanDerWaalsContact C-N 3.26Å; P519-K521 PolarHBondContact O-N 3.26Å; P519-K521 VanDerWaalsContact O-N 3.11Å; P519-Y522 HydrophobicContact CB-CD2 3.91Å; P519-Y522 HydrophobicContact CG-CD2 3.93Å; P519-Y522 HydrophobicContact CG-CE2 4.46Å; P519-Y522 WeakPolarHBondContact O-CA 3.24Å; P519-Y522 PolarHBondContact O-N 2.77Å; P519-V523 PolarHBondContact O-N 2.91Å
520	E	69	Low	78.3	Confident	76 Å²	76	70.7 Å²	70.7	36%	0.355	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-48	-43.8	-174.2	-174.8	-173.1	154.2	0	0	113.9	V518 Y522 V523 P524 F765 K789	V518-E520 PolarHBondContact O-N 2.96Å; E520-Y522 PolarHBondContact O-N 3.27Å; E520-Y522 VanDerWaalsContact O-N 3.09Å; E520-V523 WeakPolarHBondContact O-CB 3.33Å; E520-V523 PolarHBondContact O-N 3.07Å; E520-P524 WeakPolarHBondContact O-CD 3.41Å; E520-F765 HydrophobicContact CG-CD1 3.79Å; E520-F765 HydrophobicContact CG-CE1 3.9Å; E520-F765 WeakPolarHBondContact OE1-CE1 3.33Å; E520-K789 VanDerWaalsContact OE1-CD 3.3Å; E520-K789 WeakPolarHBondContact OE1-CD 3.42Å; E520-K789 IonicContact OE1-NZ 3.47Å; E520-K789 WeakPolarHBondContact OE2-CD 3.45Å; E520-K789 WeakPolarHBondContact OE2-CE 3.25Å; E520-K789 IonicContact OE2-NZ 3.66Å; E520-K789 PolarHBondContact OE2-NZ 3.27Å
521	K	82.5	Confident	78.5	Confident	135 Å²	135	67.3 Å²	67.3	59%	0.587	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-59.1	-24	177.5	70.3	179.7	-178.5	175.8	0	113.9	P519 V527	P519-K521 VanDerWaalsContact C-N 3.26Å; P519-K521 PolarHBondContact O-N 3.26Å; P519-K521 VanDerWaalsContact O-N 3.11Å; K521-V527 WeakPolarHBondContact O-CB 3.36Å; K521-V527 WeakPolarHBondContact O-CG1 3.47Å; K521-V527 VanDerWaalsContact O-CG2 3.29Å; K521-V527 WeakPolarHBondContact O-CG2 3.49Å
522	Y	85.5	Confident	79.1	Confident	66 Å²	66	68.4 Å²	68.4	26%	0.259	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-102.6	-1	179.8	-60.8	-58.5	0	0	0	113.4	P519 E520 V527 E528 M529 R572	P519-Y522 HydrophobicContact CB-CD2 3.91Å; P519-Y522 HydrophobicContact CG-CD2 3.93Å; P519-Y522 HydrophobicContact CG-CE2 4.46Å; P519-Y522 WeakPolarHBondContact O-CA 3.24Å; P519-Y522 PolarHBondContact O-N 2.77Å; E520-Y522 PolarHBondContact O-N 3.27Å; E520-Y522 VanDerWaalsContact O-N 3.09Å; Y522-V527 HydrophobicContact CD1-CG1 3.73Å; Y522-V527 HydrophobicContact CE1-CG1 4.08Å; Y522-E528 VanDerWaalsContact CD1-O 3.25Å; Y522-E528 WeakPolarHBondContact CD1-O 3.42Å; Y522-E528 WeakPolarHBondContact CE1-O 3.4Å; Y522-M529 HydrophobicContact CD1-CB 3.81Å; Y522-M529 HydrophobicContact CD1-CG 4.14Å; Y522-M529 HydrophobicContact CD2-CE 4.49Å; Y522-M529 HydrophobicContact CD2-CG 4.17Å; Y522-M529 HydrophobicContact CD2-SD 4.18Å; Y522-M529 HydrophobicContact CE1-CB 4.43Å; Y522-M529 HydrophobicContact CG-CB 3.97Å; Y522-M529 HydrophobicContact CG-CG 3.91Å; Y522-M529 HydrophobicContact CG-SD 4.02Å; Y522-R572 WeakPolarHBondContact O-CD 3.45Å; Y522-R572 PolarHBondContact O-NH1 3.37Å
523	V	82.5	Confident	79.5	Confident	18 Å²	18	63.9 Å²	63.9	11%	0.109	33%	0.326	C	S	.	.	S	Bend	trans	-61.9	-48.8	176	173.7	0	0	0	0	110.9	V518 P519 E520 W525 G571 R572	V518-V523 HydrophobicContact CB-CG2 4.21Å; V518-V523 HydrophobicContact CG1-CG2 3.88Å; P519-V523 PolarHBondContact O-N 2.91Å; E520-V523 WeakPolarHBondContact O-CB 3.33Å; E520-V523 PolarHBondContact O-N 3.07Å; V523-W525 PolarHBondContact O-N 3.05Å; V523-G571 CarbonylContact O-C 3.58Å; V523-G571 WeakPolarHBondContact O-CA 3.35Å; V523-R572 PolarHBondContact O-N 2.84Å
524	P	86.8	Confident	80.1	Confident	63 Å²	63	63.3 Å²	63.3	41%	0.409	32%	0.32	S	S	.	.	S	Bend	trans	-64.3	131	177.7	-20.3	33.3	0	0	0	111.7	E520 K526 V527 R572	E520-P524 WeakPolarHBondContact O-CD 3.41Å; P524-K526 PolarHBondContact O-N 3.12Å; P524-V527 PolarHBondContact O-N 2.82Å; P524-R572 PolarHBondContact O-NH1 2.95Å
525	W	86.3	Confident	80.4	Confident	34 Å²	34	59.9 Å²	59.9	13%	0.129	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-20.5	177.5	-68.2	105.9	0	0	0	114.2	V523 V527 Y532 P562 R567 H568 G571 R572 D675	V523-W525 PolarHBondContact O-N 3.05Å; W525-V527 VanDerWaalsContact C-N 3.28Å; W525-V527 PolarHBondContact O-N 3.4Å; W525-Y532 HydrophobicContact CH2-CE1 4.38Å; W525-P562 HydrophobicContact CH2-CG 3.91Å; W525-P562 HydrophobicContact CZ3-CG 4.39Å; W525-R567 HydrophobicContact CD2-CB 4.24Å; W525-R567 HydrophobicContact CD2-CG 3.97Å; W525-R567 HydrophobicContact CE3-CG 4.33Å; W525-R567 HydrophobicContact CG-CB 4.34Å; W525-R567 HydrophobicContact CG-CG 4.35Å; W525-R567 HydrophobicContact CZ2-CB 4.28Å; W525-R567 HydrophobicContact CZ2-CG 4.17Å; W525-H568 PolarHBondContact NE1-O 3.19Å; W525-G571 VanDerWaalsContact NE1-C 3.3Å; W525-G571 PolarHBondContact NE1-O 3.12Å; W525-R572 HydrophobicContact CD2-CG 4Å; W525-R572 HydrophobicContact CE3-CG 3.76Å; W525-R572 HydrophobicContact CH2-CG 3.66Å; W525-R572 HydrophobicContact CZ2-CG 3.9Å; W525-R572 HydrophobicContact CZ3-CG 3.59Å; W525-D675 HydrophobicContact CH2-CB 3.86Å; W525-D675 HydrophobicContact CZ2-CB 3.87Å
526	K	86.2	Confident	80.6	Confident	206 Å²	206	62.6 Å²	62.6	90%	0.896	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-19.8	177.7	-63.1	-177.8	-179	178.7	0	113.6	P524	P524-K526 PolarHBondContact O-N 3.12Å
527	V	85.4	Confident	80.8	Confident	59 Å²	59	61 Å²	61	36%	0.358	31%	0.314	S	S	.	.	S	Bend	trans	-96	125	176.2	-171.4	0	0	0	0	108.1	K521 Y522 P524 W525 R572	K521-V527 WeakPolarHBondContact O-CB 3.36Å; K521-V527 WeakPolarHBondContact O-CG1 3.47Å; K521-V527 VanDerWaalsContact O-CG2 3.29Å; K521-V527 WeakPolarHBondContact O-CG2 3.49Å; Y522-V527 HydrophobicContact CD1-CG1 3.73Å; Y522-V527 HydrophobicContact CE1-CG1 4.08Å; P524-V527 PolarHBondContact O-N 2.82Å; W525-V527 VanDerWaalsContact C-N 3.28Å; W525-V527 PolarHBondContact O-N 3.4Å; V527-R572 VanDerWaalsContact O-CZ 3.31Å; V527-R572 PolarHBondContact O-NH1 2.82Å; V527-R572 PolarHBondContact O-NH2 3.24Å
528	E	79.1	Confident	81	Confident	160 Å²	160	62 Å²	62	75%	0.748	32%	0.32	S	S	*	.			trans	-69.4	140.3	175.3	-71.2	-173	154.6	0	0	110.4	Y522	Y522-E528 VanDerWaalsContact CD1-O 3.25Å; Y522-E528 WeakPolarHBondContact CD1-O 3.42Å; Y522-E528 WeakPolarHBondContact CE1-O 3.4Å
529	M	80	Confident	80.8	Confident	30 Å²	30	64.4 Å²	64.4	15%	0.148	33%	0.326	C	S	.	.			trans	-133.9	96.3	177.1	-177.8	-179.6	179.6	0	0	107	V518 Y522 A531 Y532	V518-M529 HydrophobicContact CG1-SD 4.33Å; Y522-M529 HydrophobicContact CD1-CB 3.81Å; Y522-M529 HydrophobicContact CD1-CG 4.14Å; Y522-M529 HydrophobicContact CD2-CE 4.49Å; Y522-M529 HydrophobicContact CD2-CG 4.17Å; Y522-M529 HydrophobicContact CD2-SD 4.18Å; Y522-M529 HydrophobicContact CE1-CB 4.43Å; Y522-M529 HydrophobicContact CG-CB 3.97Å; Y522-M529 HydrophobicContact CG-CG 3.91Å; Y522-M529 HydrophobicContact CG-SD 4.02Å; M529-A531 PolarHBondContact O-N 3.41Å; M529-Y532 HydrophobicContact CE-CD2 4.24Å; M529-Y532 PolarHBondContact O-N 3.36Å; M529-Y532 HydrophobicContact SD-CD2 3.62Å; M529-Y532 HydrophobicContact SD-CG 4.14Å
530	D	67.2	Low	80.4	Confident	147 Å²	147	66.3 Å²	66.3	79%	0.786	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	10	-165.2	-61.3	-27.6	0	0	0	116.2
531	A	70.1	Confident	80	Confident	65 Å²	65	68.9 Å²	68.9	54%	0.537	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.4	35.8	177.3	0	0	0	0	0	112.4	M529 A533	M529-A531 PolarHBondContact O-N 3.41Å; A531-A533 PolarHBondContact O-N 3.44Å
532	Y	80.6	Confident	78.4	Confident	33 Å²	33	70.3 Å²	70.3	13%	0.129	34%	0.343	C	S	.	.			trans	-75.1	94.9	-178.2	-171.8	-120.1	0	0	0	112.5	L516 V518 W525 M529 P534 R572 G574 D675	L516-Y532 HydrophobicContact CD2-CD2 3.77Å; L516-Y532 HydrophobicContact CD2-CE2 3.82Å; V518-Y532 HydrophobicContact CG2-CD2 4.44Å; V518-Y532 HydrophobicContact CG2-CE2 3.52Å; W525-Y532 HydrophobicContact CH2-CE1 4.38Å; M529-Y532 HydrophobicContact CE-CD2 4.24Å; M529-Y532 PolarHBondContact O-N 3.36Å; M529-Y532 HydrophobicContact SD-CD2 3.62Å; M529-Y532 HydrophobicContact SD-CG 4.14Å; Y532-P534 HydrophobicContact CD1-CG 4.19Å; Y532-P534 HydrophobicContact CE1-CB 4.49Å; Y532-P534 HydrophobicContact CE1-CG 3.62Å; Y532-P534 HydrophobicContact CE2-CB 4.29Å; Y532-P534 HydrophobicContact CE2-CG 4.17Å; Y532-P534 VanDerWaalsContact O-CD 3.27Å; Y532-P534 WeakPolarHBondContact O-CD 3.34Å; Y532-R572 HydrophobicContact CD1-CG 4.11Å; Y532-R572 HydrophobicContact CE1-CB 3.94Å; Y532-R572 HydrophobicContact CE1-CG 3.65Å; Y532-R572 HydrophobicContact CE2-CB 4.3Å; Y532-G574 WeakPolarHBondContact OH-CA 3.28Å; Y532-G574 PolarHBondContact OH-N 3.3Å; Y532-D675 WeakPolarHBondContact CE1-OD2 3.36Å; Y532-D675 PolarHBondContact OH-OD1 3.04Å; Y532-D675 PolarHBondContact OH-OD2 2.97Å; Y532-D675 VanDerWaalsContact OH-OD2 3.07Å
533	A	78.7	Confident	77	Confident	28 Å²	28	73 Å²	73	23%	0.231	36%	0.357	C	S	.	.			trans	-119.2	54.3	-170.9	0	0	0	0	0	114	A531 V555	A531-A533 PolarHBondContact O-N 3.44Å; A533-V555 HydrophobicContact CB-CB 4.21Å; A533-V555 HydrophobicContact CB-CG1 3.95Å; A533-V555 HydrophobicContact CB-CG2 3.14Å
534	P	86.2	Confident	76.3	Confident	3 Å²	3	73.7 Å²	73.7	2%	0.019	37%	0.367	C	S	.	.			trans	-65.6	150.1	-177.9	31.6	-37.6	0	0	0	111.1	L516 Y532 L550 G574 R576	L516-P534 HydrophobicContact CB-CB 4.22Å; Y532-P534 HydrophobicContact CD1-CG 4.19Å; Y532-P534 HydrophobicContact CE1-CB 4.49Å; Y532-P534 HydrophobicContact CE1-CG 3.62Å; Y532-P534 HydrophobicContact CE2-CB 4.29Å; Y532-P534 HydrophobicContact CE2-CG 4.17Å; Y532-P534 VanDerWaalsContact O-CD 3.27Å; Y532-P534 WeakPolarHBondContact O-CD 3.34Å; P534-L550 WeakPolarHBondContact O-CD1 3.33Å; P534-G574 VanDerWaalsContact CB-O 3.29Å; P534-G574 WeakPolarHBondContact CB-O 3.26Å; P534-R576 HydrophobicContact CG-CB 3.96Å; P534-R576 HydrophobicContact CG-CG 4.2Å
535	P	84	Confident	75.6	Confident	18 Å²	18	71.6 Å²	71.6	12%	0.117	35%	0.353	C	S	.	.			trans	-58.8	145.3	174.1	-17	28.1	0	0	0	111.4	Y514 T548 M575 R576	Y514-P535 WeakPolarHBondContact O-CG 3.45Å; P535-T548 WeakPolarHBondContact CA-O 3.4Å; P535-M575 HydrophobicContact CB-CE 4.45Å; P535-M575 HydrophobicContact CB-SD 3.66Å; P535-M575 HydrophobicContact CG-CE 4.33Å; P535-M575 HydrophobicContact CG-SD 3.92Å; P535-R576 PolarHBondContact O-N 3.3Å
536	E	86.7	Confident	75.1	Confident	68 Å²	68	75.1 Å²	75.1	32%	0.318	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	107.3	176.2	-173.1	166.7	173.3	0	0	110.7	C547 T548 L550 R576	E536-C547 CarbonylContact O-C 3.53Å; E536-C547 VanDerWaalsContact O-CA 3.25Å; E536-C547 WeakPolarHBondContact O-CA 3.48Å; E536-T548 PolarHBondContact N-O 3.29Å; E536-T548 PolarHBondContact O-N 3Å; E536-T548 PolarHBondContact O-OG1 3.01Å; E536-L550 HydrophobicContact CB-CD2 4.32Å; E536-R576 WeakPolarHBondContact CA-O 3.27Å; E536-R576 HydrophobicContact CB-CG 3.68Å; E536-R576 HydrophobicContact CG-CG 3.98Å; E536-R576 IonicContact OE2-CZ 3.52Å; E536-R576 VanDerWaalsContact OE2-CZ 3.28Å; E536-R576 IonicContact OE2-NE 3.62Å; E536-R576 PolarHBondContact OE2-NE 2.79Å; E536-R576 IonicContact OE2-NH2 3.24Å; E536-R576 PolarHBondContact OE2-NH2 3.38Å
537	C	86.4	Confident	74.9	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	130.9	179.2	-68.6	0	0	0	0	111.7	Y508 T545 R546 C547 M575 R576 G577 R578 G579	Y508-C537 HydrophobicContact CD1-CB 4.43Å; Y508-C537 HydrophobicContact CE1-CB 4.32Å; C537-T545 HydrophobicContact CB-CG2 3.9Å; C537-R546 CarbonylContact C-O 3.56Å; C537-R546 WeakPolarHBondContact CA-O 3.15Å; C537-C547 HydrophobicContact CB-CB 4.12Å; C537-C547 WeakPolarHBondContact CB-SG 3.38Å; C537-C547 WeakPolarHBondContact SG-CB 3.28Å; C537-C547 CovalentContact SG-SG 2.03Å; C537-C547 PolarHBondContact SG-SG 3.41Å; C537-M575 HydrophobicContact CB-CG 4.21Å; C537-M575 HydrophobicContact CB-SD 4.43Å; C537-M575 PolarHBondContact SG-SD 3.15Å; C537-R576 PolarHBondContact N-O 2.82Å; C537-G577 CarbonylContact O-C 3.41Å; C537-R578 PolarHBondContact O-N 3.45Å; C537-R578 VanDerWaalsContact O-N 3.12Å; C537-G579 WeakPolarHBondContact O-CA 3.4Å; C537-G579 PolarHBondContact O-N 3.37Å
538	T	81.8	Confident	74.4	Confident	35 Å²	35	67.1 Å²	67.1	22%	0.215	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	124.9	172	-62.7	0	0	0	0	110.1	Y540 R546	T538-Y540 HydrophobicContact CG2-CD2 4.5Å; T538-Y540 HydrophobicContact CG2-CE1 4.31Å; T538-Y540 HydrophobicContact CG2-CE2 3.88Å; T538-Y540 WeakPolarHBondContact O-CD2 3.13Å; T538-Y540 WeakPolarHBondContact O-CE2 3.13Å; T538-R546 PolarHBondContact N-O 3.32Å; T538-R546 PolarHBondContact O-N 2.9Å
539	W	76	Confident	73.9	Confident	78 Å²	78	68.3 Å²	68.3	30%	0.295	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	132.6	174	-177.7	92	0	0	0	113.1	E541 R578 G579	W539-E541 VanDerWaalsContact CH2-CA 3.41Å; W539-E541 HydrophobicContact CH2-CB 3.53Å; W539-E541 HydrophobicContact CH2-CG 3.74Å; W539-E541 HydrophobicContact CZ2-CB 4.24Å; W539-E541 HydrophobicContact CZ2-CG 4.41Å; W539-E541 HydrophobicContact CZ3-CB 3.83Å; W539-E541 HydrophobicContact CZ3-CG 4.45Å; W539-R578 PolarHBondContact O-NH2 2.7Å; W539-G579 WeakPolarHBondContact CB-O 3.36Å; W539-G579 PolarHBondContact N-O 3.36Å
540	Y	68.1	Low	72.9	Confident	70 Å²	70	67.7 Å²	67.7	28%	0.275	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.7	173.7	-59.9	-87.1	0	0	0	109.3	T538 R542 F543 G544 R546	T538-Y540 HydrophobicContact CG2-CD2 4.5Å; T538-Y540 HydrophobicContact CG2-CE1 4.31Å; T538-Y540 HydrophobicContact CG2-CE2 3.88Å; T538-Y540 WeakPolarHBondContact O-CD2 3.13Å; T538-Y540 WeakPolarHBondContact O-CE2 3.13Å; Y540-R542 VanDerWaalsContact C-N 3.3Å; Y540-R542 PolarHBondContact O-N 2.93Å; Y540-F543 HydrophobicContact CG-CD2 4.47Å; Y540-F543 PolarHBondContact O-N 2.99Å; Y540-F543 VanDerWaalsContact O-N 3.16Å; Y540-G544 PolarHBondContact N-O 2.79Å; Y540-G544 WeakPolarHBondContact O-CA 3.26Å; Y540-G544 PolarHBondContact O-N 2.94Å; Y540-R546 HydrophobicContact CD2-CB 4.22Å; Y540-R546 HydrophobicContact CE2-CB 4.06Å
541	E	59.8	Low	72.2	Confident	131 Å²	131	62.9 Å²	62.9	61%	0.612	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-34.8	-172.8	-171.2	166.9	-171.2	0	0	114.2	W539	W539-E541 VanDerWaalsContact CH2-CA 3.41Å; W539-E541 HydrophobicContact CH2-CB 3.53Å; W539-E541 HydrophobicContact CH2-CG 3.74Å; W539-E541 HydrophobicContact CZ2-CB 4.24Å; W539-E541 HydrophobicContact CZ2-CG 4.41Å; W539-E541 HydrophobicContact CZ3-CB 3.83Å; W539-E541 HydrophobicContact CZ3-CG 4.45Å
542	R	49.5	Very low	71.5	Confident	165 Å²	165	64.4 Å²	64.4	62%	0.623	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-21.5	177.5	-76.8	-173.3	-178	-170.4	2.2	114.9	I248 Y540	I248-R542 HydrophobicContact CD1-CG 4.41Å; Y540-R542 VanDerWaalsContact C-N 3.3Å; Y540-R542 PolarHBondContact O-N 2.93Å
543	F	55	Low	70.3	Confident	123 Å²	123	69 Å²	69	54%	0.539	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-4.1	-169.4	-53.7	-69.2	0	0	0	113.7	Y540	Y540-F543 HydrophobicContact CG-CD2 4.47Å; Y540-F543 PolarHBondContact O-N 2.99Å; Y540-F543 VanDerWaalsContact O-N 3.16Å
544	G	68.8	Low	69.2	Low	31 Å²	31	71.4 Å²	71.4	32%	0.32	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	73.8	-160.4	-170.6	0	0	0	0	0	111.8	Y540	Y540-G544 PolarHBondContact N-O 2.79Å; Y540-G544 WeakPolarHBondContact O-CA 3.26Å; Y540-G544 PolarHBondContact O-N 2.94Å
545	T	71.1	Confident	67.6	Low	20 Å²	20	72.2 Å²	72.2	12%	0.123	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	120.1	176.2	-44.4	0	0	0	0	110.4	Y508 T511 C537 V580	Y508-T545 HydrophobicContact CD1-CG2 4.33Å; Y508-T545 HydrophobicContact CE1-CG2 4.05Å; T511-T545 VanDerWaalsContact CG2-CB 3.41Å; T511-T545 HydrophobicContact CG2-CG2 3.79Å; C537-T545 HydrophobicContact CB-CG2 3.9Å; T545-V580 WeakPolarHBondContact OG1-CG1 3.37Å
546	R	76.1	Confident	66.1	Low	107 Å²	107	77.9 Å²	77.9	40%	0.404	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127.6	170.6	-170.2	173.7	178.5	-165.4	-7.3	108.5	E226 C537 T538 Y540	E226-R546 IonicContact OE2-CZ 2.77Å; E226-R546 IonicContact OE2-NH1 2.78Å; E226-R546 PolarHBondContact OE2-NH1 3.13Å; E226-R546 IonicContact OE2-NH2 3.23Å; E226-R546 PolarHBondContact OE2-NH2 3.38Å; C537-R546 CarbonylContact C-O 3.56Å; C537-R546 WeakPolarHBondContact CA-O 3.15Å; T538-R546 PolarHBondContact N-O 3.32Å; T538-R546 PolarHBondContact O-N 2.9Å; Y540-R546 HydrophobicContact CD2-CB 4.22Å; Y540-R546 HydrophobicContact CE2-CB 4.06Å
547	C	81.5	Confident	64.4	Low	32 Å²	32	78.5 Å²	78.5	22%	0.216	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	119.2	178	-60.4	0	0	0	0	108.4	A513 E536 C537	A513-C547 HydrophobicContact CB-CB 3.26Å; A513-C547 VanDerWaalsContact CB-SG 3.59Å; E536-C547 CarbonylContact O-C 3.53Å; E536-C547 VanDerWaalsContact O-CA 3.25Å; E536-C547 WeakPolarHBondContact O-CA 3.48Å; C537-C547 HydrophobicContact CB-CB 4.12Å; C537-C547 WeakPolarHBondContact CB-SG 3.38Å; C537-C547 WeakPolarHBondContact SG-CB 3.28Å; C537-C547 CovalentContact SG-SG 2.03Å; C537-C547 PolarHBondContact SG-SG 3.41Å
548	T	76.8	Confident	62.7	Low	65 Å²	65	79.9 Å²	79.9	40%	0.399	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.4	176.5	43.4	0	0	0	0	109.2	P535 E536	P535-T548 WeakPolarHBondContact CA-O 3.4Å; E536-T548 PolarHBondContact N-O 3.29Å; E536-T548 PolarHBondContact O-N 3Å; E536-T548 PolarHBondContact O-OG1 3.01Å
549	K	67.4	Low	61.3	Low	185 Å²	185	83 Å²	83	80%	0.804	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-70.4	132.2	167.8	-166.1	179.2	-177.4	-177.1	0	107.3
550	L	58.9	Low	60.5	Low	18 Å²	18	87.3 Å²	87.3	9%	0.094	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-75.2	132.5	177	-55.6	172.3	0	0	0	109.2	P534 E536 D554 V555	P534-L550 WeakPolarHBondContact O-CD1 3.33Å; E536-L550 HydrophobicContact CB-CD2 4.32Å; L550-D554 HydrophobicContact CB-CB 3.94Å; L550-D554 HydrophobicContact CD2-CB 4.21Å; L550-V555 HydrophobicContact CB-CG2 3.88Å; L550-V555 HydrophobicContact CD1-CG2 4.44Å
551	S	53.2	Low	60.5	Low	45 Å²	45	86.3 Å²	86.3	32%	0.315	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-66.1	161.2	167.3	65.7	0	0	0	0	110.2	E553 D554 V555	S551-E553 VanDerWaalsContact CB-OE2 3.26Å; S551-E553 WeakPolarHBondContact CB-OE2 3.44Å; S551-E553 PolarHBondContact O-N 3.22Å; S551-E553 PolarHBondContact OG-OE2 3.47Å; S551-D554 WeakPolarHBondContact CB-OD2 3.34Å; S551-D554 PolarHBondContact N-OD2 2.71Å; S551-D554 CarbonylContact O-C 3.52Å; S551-D554 WeakPolarHBondContact O-CA 3.47Å; S551-D554 WeakPolarHBondContact O-CB 3.36Å; S551-D554 PolarHBondContact O-N 3.49Å; S551-D554 WeakPolarHBondContact OG-CB 3.42Å; S551-D554 PolarHBondContact OG-N 2.81Å; S551-D554 PolarHBondContact OG-OD2 3.15Å; S551-V555 VanDerWaalsContact O-CG2 3.25Å; S551-V555 WeakPolarHBondContact O-CG2 3.31Å; S551-V555 PolarHBondContact O-N 2.63Å
552	V	56.1	Low	61.1	Low	98 Å²	98	81 Å²	81	59%	0.594	43%	0.425	S	S	*	.	H	α-helix	trans	-61.9	-32.5	177.5	175.4	0	0	0	0	110.1	V555 Q556	V552-V555 WeakPolarHBondContact O-CB 3.48Å; V552-V555 PolarHBondContact O-N 3.3Å; V552-Q556 WeakPolarHBondContact O-CG 3.42Å; V552-Q556 PolarHBondContact O-N 2.72Å
553	E	55	Low	62.5	Low	130 Å²	130	76.8 Å²	76.8	61%	0.607	42%	0.419	S	S	*	.	H	α-helix	trans	-64.2	-44.6	172.6	-58.9	76.9	-166.9	0	0	111.2	S551 V555 Q556 A557	S551-E553 VanDerWaalsContact CB-OE2 3.26Å; S551-E553 WeakPolarHBondContact CB-OE2 3.44Å; S551-E553 PolarHBondContact O-N 3.22Å; S551-E553 PolarHBondContact OG-OE2 3.47Å; E553-V555 PolarHBondContact O-N 3.37Å; E553-Q556 PolarHBondContact O-N 3.16Å; E553-A557 VanDerWaalsContact O-CB 3.29Å; E553-A557 WeakPolarHBondContact O-CB 3.41Å; E553-A557 PolarHBondContact O-N 2.93Å
554	D	55.5	Low	63.8	Low	78 Å²	78	78.7 Å²	78.7	42%	0.417	43%	0.429	S	S	.	.	H	α-helix	trans	-62.7	-31.5	172.7	-65.4	-46.2	0	0	0	111.6	L550 S551 A558	L550-D554 HydrophobicContact CB-CB 3.94Å; L550-D554 HydrophobicContact CD2-CB 4.21Å; S551-D554 WeakPolarHBondContact CB-OD2 3.34Å; S551-D554 PolarHBondContact N-OD2 2.71Å; S551-D554 CarbonylContact O-C 3.52Å; S551-D554 WeakPolarHBondContact O-CA 3.47Å; S551-D554 WeakPolarHBondContact O-CB 3.36Å; S551-D554 PolarHBondContact O-N 3.49Å; S551-D554 WeakPolarHBondContact OG-CB 3.42Å; S551-D554 PolarHBondContact OG-N 2.81Å; S551-D554 PolarHBondContact OG-OD2 3.15Å; D554-A558 VanDerWaalsContact O-CA 3.31Å; D554-A558 WeakPolarHBondContact O-CA 3.46Å; D554-A558 WeakPolarHBondContact O-CB 3.47Å; D554-A558 PolarHBondContact O-N 3.33Å
555	V	52.9	Low	64.6	Low	19 Å²	19	83 Å²	83	12%	0.115	45%	0.445	C	S	.	.	H	α-helix	trans	-72.9	-42.9	177.2	175.5	0	0	0	0	110.8	A533 L550 S551 V552 E553 A558 N559	A533-V555 HydrophobicContact CB-CB 4.21Å; A533-V555 HydrophobicContact CB-CG1 3.95Å; A533-V555 HydrophobicContact CB-CG2 3.14Å; L550-V555 HydrophobicContact CB-CG2 3.88Å; L550-V555 HydrophobicContact CD1-CG2 4.44Å; S551-V555 VanDerWaalsContact O-CG2 3.25Å; S551-V555 WeakPolarHBondContact O-CG2 3.31Å; S551-V555 PolarHBondContact O-N 2.63Å; V552-V555 WeakPolarHBondContact O-CB 3.48Å; V552-V555 PolarHBondContact O-N 3.3Å; E553-V555 PolarHBondContact O-N 3.37Å; V555-A558 CarbonylContact O-C 3.57Å; V555-A558 VanDerWaalsContact O-C 3.3Å; V555-A558 PolarHBondContact O-N 2.89Å; V555-N559 WeakPolarHBondContact O-CA 3.47Å; V555-N559 VanDerWaalsContact O-CG 3.32Å; V555-N559 PolarHBondContact O-N 2.8Å; V555-N559 PolarHBondContact O-OD1 3.28Å
556	Q	51.4	Low	65.4	Low	137 Å²	137	83.9 Å²	83.9	64%	0.64	45%	0.449	S	S	*	.	H	α-helix	trans	-66	-39.3	175.2	-71.4	176.9	-5.7	0	0	111.5	V552 E553	V552-Q556 WeakPolarHBondContact O-CG 3.42Å; V552-Q556 PolarHBondContact O-N 2.72Å; E553-Q556 PolarHBondContact O-N 3.16Å
557	A	50.6	Low	65.9	Low	81 Å²	81	82 Å²	82	67%	0.669	44%	0.442	S	S	*	.	H	α-helix	trans	-72.6	-33.2	174.1	0	0	0	0	0	112.7	E553	E553-A557 VanDerWaalsContact O-CB 3.29Å; E553-A557 WeakPolarHBondContact O-CB 3.41Å; E553-A557 PolarHBondContact O-N 2.93Å
558	A	51.9	Low	66.2	Low	30 Å²	30	80.5 Å²	80.5	25%	0.248	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	20.2	178.9	0	0	0	0	0	113.8	D554 V555 Q560	D554-A558 VanDerWaalsContact O-CA 3.31Å; D554-A558 WeakPolarHBondContact O-CA 3.46Å; D554-A558 WeakPolarHBondContact O-CB 3.47Å; D554-A558 PolarHBondContact O-N 3.33Å; V555-A558 CarbonylContact O-C 3.57Å; V555-A558 VanDerWaalsContact O-C 3.3Å; V555-A558 PolarHBondContact O-N 2.89Å; A558-Q560 CarbonylContact O-C 3.5Å; A558-Q560 PolarHBondContact O-N 2.8Å
559	N	51.7	Low	66.6	Low	101 Å²	101	85 Å²	85	54%	0.54	45%	0.446	S	S	.	.			trans	-60.3	-0.8	168.7	-97.6	-12.4	0	0	0	112.3	V555 S561	V555-N559 WeakPolarHBondContact O-CA 3.47Å; V555-N559 VanDerWaalsContact O-CG 3.32Å; V555-N559 PolarHBondContact O-N 2.8Å; V555-N559 PolarHBondContact O-OD1 3.28Å; N559-S561 PolarHBondContact O-N 3.14Å
560	Q	59.7	Low	67.1	Low	167 Å²	167	79.1 Å²	79.1	78%	0.78	42%	0.423	S	S	*	.	S	Bend	trans	-73	101.4	161.2	-61.4	-176.8	8.1	0	0	109.7	A558	A558-Q560 CarbonylContact O-C 3.5Å; A558-Q560 PolarHBondContact O-N 2.8Å
561	S	67	Low	68.4	Low	50 Å²	50	78.3 Å²	78.3	35%	0.35	42%	0.419	S	S	.	.			trans	-46	147.3	161.4	-72.1	0	0	0	0	109.9	N559	N559-S561 PolarHBondContact O-N 3.14Å
562	P	72.1	Confident	70.1	Confident	20 Å²	20	76.7 Å²	76.7	13%	0.13	41%	0.406	C	S	.	.			trans	-44.9	149.6	175.1	-30.5	36	0	0	0	112.6	W525 E564 R567 D675 N676	W525-P562 HydrophobicContact CH2-CG 3.91Å; W525-P562 HydrophobicContact CZ3-CG 4.39Å; P562-E564 PolarHBondContact O-N 2.99Å; P562-R567 HydrophobicContact CB-CG 3.95Å; P562-R567 PolarHBondContact O-NE 3.1Å; P562-R567 PolarHBondContact O-NH2 2.71Å; P562-R567 VanDerWaalsContact O-NH2 3.12Å; P562-D675 HydrophobicContact CG-CB 4.33Å; P562-N676 VanDerWaalsContact CB-ND2 3.27Å; P562-N676 WeakPolarHBondContact CB-ND2 3.16Å; P562-N676 VanDerWaalsContact CG-ND2 3.33Å; P562-N676 WeakPolarHBondContact CG-ND2 3.35Å
563	P	79.8	Confident	71.6	Confident	75 Å²	75	72.4 Å²	72.4	49%	0.487	38%	0.38	S	S	.	.			trans	-47.1	139.2	167	-28.1	36.4	0	0	0	110.6	D565 L566 R567	P563-D565 WeakPolarHBondContact CB-OD1 3.22Å; P563-D565 PolarHBondContact O-N 3.46Å; P563-D565 VanDerWaalsContact O-N 3.15Å; P563-L566 HydrophobicContact CB-CB 4.44Å; P563-L566 HydrophobicContact CB-CG 4.46Å; P563-L566 HydrophobicContact CG-CD1 4.3Å; P563-L566 CarbonylContact O-C 3.5Å; P563-L566 WeakPolarHBondContact O-CA 3.45Å; P563-L566 PolarHBondContact O-N 2.82Å; P563-R567 PolarHBondContact O-N 3.12Å; P563-R567 VanDerWaalsContact O-N 3.15Å
564	E	83.4	Confident	73.2	Confident	163 Å²	163	66.2 Å²	66.2	76%	0.762	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-57.1	-33.8	-171.1	-169.7	175.9	-177.1	0	0	112.9	P562 L566 R567	P562-E564 PolarHBondContact O-N 2.99Å; E564-L566 VanDerWaalsContact C-N 3.27Å; E564-L566 PolarHBondContact O-N 2.79Å; E564-R567 PolarHBondContact O-N 3.43Å
565	D	84.3	Confident	74.8	Confident	123 Å²	123	62.5 Å²	62.5	66%	0.658	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-69.7	-21.7	175.2	64.6	-53.5	0	0	0	114	P563	P563-D565 WeakPolarHBondContact CB-OD1 3.22Å; P563-D565 PolarHBondContact O-N 3.46Å; P563-D565 VanDerWaalsContact O-N 3.15Å
566	L	87.1	Confident	76.5	Confident	38 Å²	38	63.8 Å²	63.8	20%	0.199	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-101.5	4.5	175.5	-63.8	-177	0	0	0	112.6	P563 E564 L584 N676	P563-L566 HydrophobicContact CB-CB 4.44Å; P563-L566 HydrophobicContact CB-CG 4.46Å; P563-L566 HydrophobicContact CG-CD1 4.3Å; P563-L566 CarbonylContact O-C 3.5Å; P563-L566 WeakPolarHBondContact O-CA 3.45Å; P563-L566 PolarHBondContact O-N 2.82Å; E564-L566 VanDerWaalsContact C-N 3.27Å; E564-L566 PolarHBondContact O-N 2.79Å; L566-L584 HydrophobicContact CD1-CB 4.43Å; L566-L584 HydrophobicContact CD1-CD1 4.19Å; L566-L584 HydrophobicContact CD2-CB 3.99Å; L566-N676 VanDerWaalsContact O-CA 3.24Å; L566-N676 WeakPolarHBondContact O-CA 3.08Å
567	R	88.5	Confident	78.2	Confident	68 Å²	68	57.6 Å²	57.6	26%	0.257	31%	0.307	S	S	.	.	S	Bend	trans	-78.9	131.5	173.8	-71.8	177.1	-165.3	-178.2	4.6	110.5	W525 P562 P563 E564 K569 D675 W678	W525-R567 HydrophobicContact CD2-CB 4.24Å; W525-R567 HydrophobicContact CD2-CG 3.97Å; W525-R567 HydrophobicContact CE3-CG 4.33Å; W525-R567 HydrophobicContact CG-CB 4.34Å; W525-R567 HydrophobicContact CG-CG 4.35Å; W525-R567 HydrophobicContact CZ2-CB 4.28Å; W525-R567 HydrophobicContact CZ2-CG 4.17Å; P562-R567 HydrophobicContact CB-CG 3.95Å; P562-R567 PolarHBondContact O-NE 3.1Å; P562-R567 PolarHBondContact O-NH2 2.71Å; P562-R567 VanDerWaalsContact O-NH2 3.12Å; P563-R567 PolarHBondContact O-N 3.12Å; P563-R567 VanDerWaalsContact O-N 3.15Å; E564-R567 PolarHBondContact O-N 3.43Å; R567-K569 PolarHBondContact O-N 3.5Å; R567-D675 CarbonylContact C-O 3.6Å; R567-W678 WeakPolarHBondContact O-CZ3 3.46Å
568	H	87.2	Confident	80	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.285	C	S	.	.			trans	-57.1	122.6	168.6	-168.2	-63.5	0	0	0	109.6	W525 D570 G571 T573 W669 N673 D675 W678	W525-H568 PolarHBondContact NE1-O 3.19Å; H568-D570 IonicContact CE1-OD2 3.03Å; H568-D570 PolarHBondContact CE1-OD2 2.75Å; H568-D570 VanDerWaalsContact CE1-OD2 3.24Å; H568-D570 PolarHBondContact ND1-N 3.29Å; H568-D570 IonicContact ND1-OD2 3.79Å; H568-D570 PolarHBondContact O-N 3.39Å; H568-G571 WeakPolarHBondContact CB-O 3.29Å; H568-G571 PolarHBondContact O-N 2.84Å; H568-T573 HydrophobicContact CB-CG2 4.05Å; H568-W669 AromaticContact CE1-CE3 3.5Å; H568-W669 AromaticContact CE1-CZ3 3.58Å; H568-W669 AromaticContact ND1-CZ3 3.84Å; H568-W669 AromaticContact NE2-CE3 3.97Å; H568-N673 PolarHBondContact NE2-ND2 3.08Å; H568-D675 PolarHBondContact N-O 2.89Å; H568-W678 HydrophobicContact CB-CE3 4.13Å; H568-W678 WeakPolarHBondContact CD2-CB 3.36Å; H568-W678 WeakPolarHBondContact NE2-CB 3.49Å
569	K	84.1	Confident	81.6	Confident	159 Å²	159	55 Å²	55	69%	0.691	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-33.5	-170.7	-66.8	-175.8	178.2	179.2	0	113.6	R567 G571	R567-K569 PolarHBondContact O-N 3.5Å; K569-G571 VanDerWaalsContact C-N 3.27Å; K569-G571 PolarHBondContact O-N 2.97Å
570	D	78.6	Confident	83.1	Confident	62 Å²	62	52.1 Å²	52.1	33%	0.332	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-3.6	-179.9	-51.6	-28.2	0	0	0	113.7	H568 W669	H568-D570 IonicContact CE1-OD2 3.03Å; H568-D570 PolarHBondContact CE1-OD2 2.75Å; H568-D570 VanDerWaalsContact CE1-OD2 3.24Å; H568-D570 PolarHBondContact ND1-N 3.29Å; H568-D570 IonicContact ND1-OD2 3.79Å; H568-D570 PolarHBondContact O-N 3.39Å; D570-W669 HydrophobicContact CB-CE3 3.93Å; D570-W669 HydrophobicContact CB-CZ3 3.79Å
571	G	86.8	Confident	84.3	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.01	22%	0.224	C	C	.	.			trans	119.2	-169.6	177.3	0	0	0	0	0	115.3	V523 W525 H568 K569	V523-G571 CarbonylContact O-C 3.58Å; V523-G571 WeakPolarHBondContact O-CA 3.35Å; W525-G571 VanDerWaalsContact NE1-C 3.3Å; W525-G571 PolarHBondContact NE1-O 3.12Å; H568-G571 WeakPolarHBondContact CB-O 3.29Å; H568-G571 PolarHBondContact O-N 2.84Å; K569-G571 VanDerWaalsContact C-N 3.27Å; K569-G571 PolarHBondContact O-N 2.97Å
572	R	88.1	Confident	84.9	Confident	11 Å²	11	47.4 Å²	47.4	4%	0.042	23%	0.227	C	C	.	.			trans	-67.3	128.9	176.2	-69	178.9	-174.5	92.7	-1.7	110.4	V518 Y522 V523 P524 W525 V527 Y532	V518-R572 HydrophobicContact CG1-CB 4.06Å; V518-R572 HydrophobicContact CG2-CB 4.21Å; Y522-R572 WeakPolarHBondContact O-CD 3.45Å; Y522-R572 PolarHBondContact O-NH1 3.37Å; V523-R572 PolarHBondContact O-N 2.84Å; P524-R572 PolarHBondContact O-NH1 2.95Å; W525-R572 HydrophobicContact CD2-CG 4Å; W525-R572 HydrophobicContact CE3-CG 3.76Å; W525-R572 HydrophobicContact CH2-CG 3.66Å; W525-R572 HydrophobicContact CZ2-CG 3.9Å; W525-R572 HydrophobicContact CZ3-CG 3.59Å; V527-R572 VanDerWaalsContact O-CZ 3.31Å; V527-R572 PolarHBondContact O-NH1 2.82Å; V527-R572 PolarHBondContact O-NH2 3.24Å; Y532-R572 HydrophobicContact CD1-CG 4.11Å; Y532-R572 HydrophobicContact CE1-CB 3.94Å; Y532-R572 HydrophobicContact CE1-CG 3.65Å; Y532-R572 HydrophobicContact CE2-CB 4.3Å
573	T	87.9	Confident	85.6	Confident	7 Å²	7	52.6 Å²	52.6	4%	0.043	25%	0.248	C	C	.	.			trans	-99.9	-7.2	-174.2	71.4	0	0	0	0	113.9	R515 H568 M575 W669 T674 D675	R515-T573 PolarHBondContact NH1-O 3.11Å; R515-T573 PolarHBondContact NH1-OG1 2.89Å; H568-T573 HydrophobicContact CB-CG2 4.05Å; T573-M575 VanDerWaalsContact C-N 3.33Å; T573-M575 PolarHBondContact OG1-N 2.82Å; T573-M575 PolarHBondContact OG1-O 3.19Å; T573-M575 VanDerWaalsContact OG1-O 3.11Å; T573-W669 HydrophobicContact CG2-CH2 3.73Å; T573-W669 HydrophobicContact CG2-CZ2 4.32Å; T573-W669 HydrophobicContact CG2-CZ3 4.18Å; T573-T674 VanDerWaalsContact OG1-CA 3.27Å; T573-T674 WeakPolarHBondContact OG1-CA 3.31Å; T573-D675 WeakPolarHBondContact CA-OD1 3.4Å; T573-D675 WeakPolarHBondContact CB-OD1 3.41Å; T573-D675 PolarHBondContact N-OD1 2.85Å; T573-D675 PolarHBondContact OG1-N 2.84Å; T573-D675 PolarHBondContact OG1-OD1 3.37Å
574	G	88.3	Confident	86	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	82.1	7	-174.6	0	0	0	0	0	114.2	R515 L516 Y532 P534	R515-G574 CarbonylContact C-O 3.51Å; R515-G574 WeakPolarHBondContact CA-O 3Å; L516-G574 PolarHBondContact N-O 2.99Å; L516-G574 WeakPolarHBondContact O-CA 3.42Å; Y532-G574 WeakPolarHBondContact OH-CA 3.28Å; Y532-G574 PolarHBondContact OH-N 3.3Å; P534-G574 VanDerWaalsContact CB-O 3.29Å; P534-G574 WeakPolarHBondContact CB-O 3.26Å
575	M	88.6	Confident	86.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.212	C	C	.	.			trans	-147.7	130.1	-178.8	-162.2	62.9	86.5	0	0	110.4	Y508 A513 R515 P535 C537 T573 T674 D675	Y508-M575 HydrophobicContact CD2-CB 4.49Å; Y508-M575 HydrophobicContact CD2-CE 4.23Å; Y508-M575 HydrophobicContact CD2-CG 4.01Å; Y508-M575 HydrophobicContact CE2-CG 4.31Å; Y508-M575 HydrophobicContact CG-CE 4Å; Y508-M575 HydrophobicContact CG-CG 4.42Å; A513-M575 HydrophobicContact CB-CE 4.24Å; R515-M575 HydrophobicContact CG-CB 4.33Å; R515-M575 HydrophobicContact CG-CE 3.97Å; P535-M575 HydrophobicContact CB-CE 4.45Å; P535-M575 HydrophobicContact CB-SD 3.66Å; P535-M575 HydrophobicContact CG-CE 4.33Å; P535-M575 HydrophobicContact CG-SD 3.92Å; C537-M575 HydrophobicContact CB-CG 4.21Å; C537-M575 HydrophobicContact CB-SD 4.43Å; C537-M575 PolarHBondContact SG-SD 3.15Å; T573-M575 VanDerWaalsContact C-N 3.33Å; T573-M575 PolarHBondContact OG1-N 2.82Å; T573-M575 PolarHBondContact OG1-O 3.19Å; T573-M575 VanDerWaalsContact OG1-O 3.11Å; M575-T674 HydrophobicContact CB-CG2 4.22Å; M575-T674 HydrophobicContact CG-CG2 4.06Å; M575-T674 CarbonylContact O-C 3.53Å; M575-T674 VanDerWaalsContact O-CA 3.23Å; M575-T674 WeakPolarHBondContact O-CA 3.42Å; M575-T674 VanDerWaalsContact O-CB 3.27Å; M575-T674 WeakPolarHBondContact O-CB 3.5Å; M575-D675 VanDerWaalsContact O-CG 3.24Å; M575-D675 PolarHBondContact O-N 2.92Å
576	R	88.9	Confident	86.5	Confident	47 Å²	47	40.4 Å²	40.4	18%	0.177	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	173.8	178	75.9	179.6	-152.7	-178.5	4.9	112.6	P534 P535 E536 C537 N676	P534-R576 HydrophobicContact CG-CB 3.96Å; P534-R576 HydrophobicContact CG-CG 4.2Å; P535-R576 PolarHBondContact O-N 3.3Å; E536-R576 WeakPolarHBondContact CA-O 3.27Å; E536-R576 HydrophobicContact CB-CG 3.68Å; E536-R576 HydrophobicContact CG-CG 3.98Å; E536-R576 IonicContact OE2-CZ 3.52Å; E536-R576 VanDerWaalsContact OE2-CZ 3.28Å; E536-R576 IonicContact OE2-NE 3.62Å; E536-R576 PolarHBondContact OE2-NE 2.79Å; E536-R576 IonicContact OE2-NH2 3.24Å; E536-R576 PolarHBondContact OE2-NH2 3.38Å; C537-R576 PolarHBondContact N-O 2.82Å; R576-N676 WeakPolarHBondContact CB-OD1 3.47Å
577	G	87.3	Confident	86.6	Confident	7 Å²	7	39.1 Å²	39.1	7%	0.072	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.9	-169.7	-176.6	0	0	0	0	0	112.2	C537 T674 N676	C537-G577 CarbonylContact O-C 3.41Å; G577-T674 VanDerWaalsContact O-CB 3.31Å; G577-T674 WeakPolarHBondContact O-CB 3.4Å; G577-T674 PolarHBondContact O-OG1 3.34Å; G577-N676 PolarHBondContact N-OD1 3.41Å
578	R	88.1	Confident	86.6	Confident	55 Å²	55	37.3 Å²	37.3	21%	0.208	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	-25.2	-178	-174.4	179	71.6	-165.1	-9.4	112.9	C537 W539 N581 R582 L584 A677	C537-R578 PolarHBondContact O-N 3.45Å; C537-R578 VanDerWaalsContact O-N 3.12Å; W539-R578 PolarHBondContact O-NH2 2.7Å; R578-N581 WeakPolarHBondContact CD-O 3.33Å; R578-N581 HydrophobicContact CG-CB 4.38Å; R578-N581 WeakPolarHBondContact CG-O 3.37Å; R578-N581 PolarHBondContact NE-O 2.93Å; R578-N581 VanDerWaalsContact NE-O 3.14Å; R578-N581 WeakPolarHBondContact O-CB 3.24Å; R578-N581 PolarHBondContact O-N 2.88Å; R578-R582 WeakPolarHBondContact CD-O 3.43Å; R578-R582 PolarHBondContact NH1-O 3.17Å; R578-L584 HydrophobicContact CB-CD2 3.81Å; R578-L584 HydrophobicContact CG-CD2 4.45Å; R578-A677 HydrophobicContact CG-CB 4.48Å
579	G	87.3	Confident	86.5	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.4	-140.4	-171	0	0	0	0	0	112.2	Y508 C537 W539 N581	Y508-G579 WeakPolarHBondContact OH-CA 3.42Å; C537-G579 WeakPolarHBondContact O-CA 3.4Å; C537-G579 PolarHBondContact O-N 3.37Å; W539-G579 WeakPolarHBondContact CB-O 3.36Å; W539-G579 PolarHBondContact N-O 3.36Å; G579-N581 VanDerWaalsContact C-N 3.26Å; G579-N581 PolarHBondContact O-N 2.81Å
580	V	82.7	Confident	86.4	Confident	42 Å²	42	32.3 Å²	32.3	26%	0.255	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-5.2	175.6	-64.5	0	0	0	0	114.1	Y508 T545 R672	Y508-V580 HydrophobicContact CE1-CG1 4.05Å; Y508-V580 HydrophobicContact CE1-CG2 4.49Å; Y508-V580 PolarHBondContact OH-N 3.3Å; T545-V580 WeakPolarHBondContact OG1-CG1 3.37Å; V580-R672 HydrophobicContact CG2-CB 3.41Å; V580-R672 VanDerWaalsContact CG2-CB 3.41Å; V580-R672 HydrophobicContact CG2-CG 4.47Å
581	N	85	Confident	86.5	Confident	5 Å²	5	32 Å²	32	3%	0.027	16%	0.158	C	C	.	.	S	Bend	trans	-72.6	161.7	179.7	-69.3	-55.7	0	0	0	111.7	R578 G579 N587 R672 A677	R578-N581 WeakPolarHBondContact CD-O 3.33Å; R578-N581 HydrophobicContact CG-CB 4.38Å; R578-N581 WeakPolarHBondContact CG-O 3.37Å; R578-N581 PolarHBondContact NE-O 2.93Å; R578-N581 VanDerWaalsContact NE-O 3.14Å; R578-N581 WeakPolarHBondContact O-CB 3.24Å; R578-N581 PolarHBondContact O-N 2.88Å; G579-N581 VanDerWaalsContact C-N 3.26Å; G579-N581 PolarHBondContact O-N 2.81Å; N581-N587 HydrophobicContact CB-CB 4.37Å; N581-R672 PolarHBondContact ND2-O 2.9Å; N581-A677 HydrophobicContact CB-CB 4.01Å; N581-A677 PolarHBondContact ND2-O 3.38Å
582	R	78.6	Confident	86	Confident	113 Å²	113	32 Å²	32	43%	0.426	16%	0.157	S	C	.	.	S	Bend	trans	-79.4	-33.2	-175.4	-73.2	-171.5	177.8	-178.5	4.6	113.5	R578 N587 D626	R578-R582 WeakPolarHBondContact CD-O 3.43Å; R578-R582 PolarHBondContact NH1-O 3.17Å; R582-N587 PolarHBondContact N-OD1 2.67Å; R582-D626 IonicContact CZ-OD1 2.79Å; R582-D626 IonicContact CZ-OD2 3.37Å; R582-D626 IonicContact NH1-OD1 3.62Å; R582-D626 PolarHBondContact NH1-OD1 3.41Å; R582-D626 IonicContact NH1-OD2 2.7Å; R582-D626 IonicContact NH2-OD1 2.69Å; R582-D626 PolarHBondContact NH2-OD1 3.11Å; R582-D626 IonicContact NH2-OD2 3.08Å; R582-D626 PolarHBondContact NH2-OD2 3.48Å
583	K	86.6	Confident	85.6	Confident	128 Å²	128	33.7 Å²	33.7	56%	0.557	17%	0.167	S	C	*	.	S	Bend	trans	-141.5	164.8	177.6	59.7	174.2	-173.3	174	0	111.4	G586 N587 A677	K583-G586 WeakPolarHBondContact CE-O 3.37Å; K583-N587 WeakPolarHBondContact CG-OD1 3.08Å; K583-N587 PolarHBondContact N-OD1 3.15Å; K583-N587 PolarHBondContact O-ND2 3.49Å; K583-N587 PolarHBondContact O-OD1 2.83Å; K583-A677 WeakPolarHBondContact O-CB 3.48Å
584	L	88.4	Confident	85.2	Confident	82 Å²	82	33.3 Å²	33.3	43%	0.429	17%	0.165	S	C	.	.	S	Bend	trans	-66.2	154.1	165.6	-57.6	172.5	0	0	0	109.7	L566 R578 N676	L566-L584 HydrophobicContact CD1-CB 4.43Å; L566-L584 HydrophobicContact CD1-CD1 4.19Å; L566-L584 HydrophobicContact CD2-CB 3.99Å; R578-L584 HydrophobicContact CB-CD2 3.81Å; R578-L584 HydrophobicContact CG-CD2 4.45Å; L584-N676 CarbonylContact C-O 3.45Å; L584-N676 WeakPolarHBondContact CA-O 3.47Å; L584-N676 HydrophobicContact CD2-CB 3.71Å
585	G	90.6	Very high	84.8	Confident	7 Å²	7	35 Å²	35	7%	0.072	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	77.7	-152.5	-173.2	0	0	0	0	0	113.8	N587 N676 A677 W678	G585-N587 PolarHBondContact O-ND2 3.11Å; G585-N676 PolarHBondContact N-O 3.14Å; G585-A677 WeakPolarHBondContact O-CA 2.88Å; G585-W678 PolarHBondContact O-N 3.48Å
586	G	88.2	Confident	84.4	Confident	17 Å²	17	37.8 Å²	37.8	18%	0.175	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	126.7	-178.9	0	0	0	0	0	113.9	K583 W678 D680	K583-G586 WeakPolarHBondContact CE-O 3.37Å; G586-W678 VanDerWaalsContact CA-NE1 3.31Å; G586-D680 VanDerWaalsContact C-OD2 3.29Å; G586-D680 WeakPolarHBondContact CA-OD2 3.26Å
587	N	89.8	Confident	83.8	Confident	10 Å²	10	40.6 Å²	40.6	5%	0.053	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	100.6	178.3	-70	-101.7	0	0	0	109.4	N581 R582 K583 G585 H589 W678 D680	N581-N587 HydrophobicContact CB-CB 4.37Å; R582-N587 PolarHBondContact N-OD1 2.67Å; K583-N587 WeakPolarHBondContact CG-OD1 3.08Å; K583-N587 PolarHBondContact N-OD1 3.15Å; K583-N587 PolarHBondContact O-ND2 3.49Å; K583-N587 PolarHBondContact O-OD1 2.83Å; G585-N587 PolarHBondContact O-ND2 3.11Å; N587-H589 PolarHBondContact O-N 3.08Å; N587-H589 PolarHBondContact O-ND1 2.99Å; N587-W678 WeakPolarHBondContact CB-O 3.03Å; N587-W678 PolarHBondContact N-O 3.23Å; N587-W678 PolarHBondContact ND2-O 2.94Å; N587-D680 PolarHBondContact O-N 3.42Å
588	A	87.6	Confident	83.2	Confident	31 Å²	31	41.4 Å²	41.4	26%	0.256	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	131.2	179.7	0	0	0	0	0	112.2	A624 D680 Y682	A588-A624 HydrophobicContact CB-CB 3.46Å; A588-A624 VanDerWaalsContact CB-CB 3.46Å; A588-A624 WeakPolarHBondContact O-CB 3.39Å; A588-A624 PolarHBondContact O-N 3.11Å; A588-D680 CarbonylContact C-O 3.55Å; A588-D680 WeakPolarHBondContact CA-O 3.4Å; A588-Y682 HydrophobicContact CB-CD2 4.09Å; A588-Y682 HydrophobicContact CB-CE2 3.67Å
589	H	85.4	Confident	82.6	Confident	24 Å²	24	48.5 Å²	48.5	11%	0.111	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	137.2	173.1	-71.4	72.9	0	0	0	109.5	N587 L621 F622 M679 D680 L681 Y682	N587-H589 PolarHBondContact O-N 3.08Å; N587-H589 PolarHBondContact O-ND1 2.99Å; H589-L621 HydrophobicContact CB-CD1 4.13Å; H589-F622 CarbonylContact C-O 3.58Å; H589-F622 VanDerWaalsContact C-O 3.32Å; H589-F622 WeakPolarHBondContact CA-O 3.38Å; H589-F622 WeakPolarHBondContact CB-O 3.23Å; H589-M679 HydrophobicContact CB-CE 3.36Å; H589-M679 HydrophobicContact CB-CG 4.24Å; H589-M679 HydrophobicContact CB-SD 4.48Å; H589-D680 PolarHBondContact N-O 2.89Å; H589-L681 CarbonylContact O-C 3.39Å; H589-L681 WeakPolarHBondContact O-CA 3.5Å; H589-Y682 PolarHBondContact O-N 2.86Å
590	H	82.1	Confident	82.1	Confident	29 Å²	29	55.7 Å²	55.7	13%	0.134	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.6	177.2	-61.6	-88	0	0	0	110.8	L592 L621 F622 A624 F657 Y682 H684	H590-L592 HydrophobicContact CB-CD2 4.02Å; H590-L621 WeakPolarHBondContact O-CA 3.44Å; H590-F622 PolarHBondContact N-O 3.49Å; H590-F622 PolarHBondContact O-N 3.15Å; H590-A624 WeakPolarHBondContact NE2-CB 3.49Å; H590-F657 HydrophobicContact CB-CE1 4.2Å; H590-F657 HydrophobicContact CB-CZ 3.97Å; H590-F657 AromaticContact CG-CE1 3.93Å; H590-F657 AromaticContact CG-CZ 3.6Å; H590-F657 AromaticContact ND1-CE1 3.58Å; H590-F657 AromaticContact ND1-CZ 3.59Å; H590-Y682 CarbonylContact C-O 3.54Å; H590-Y682 VanDerWaalsContact CA-O 3.25Å; H590-Y682 WeakPolarHBondContact CA-O 3.29Å; H590-H684 AromaticContact CE1-NE2 3.89Å; H590-H684 AromaticContact ND1-CD2 3.59Å; H590-H684 AromaticContact ND1-NE2 3.2Å; H590-H684 PolarHBondContact ND1-NE2 3.34Å
591	H	79.4	Confident	81.9	Confident	57 Å²	57	55.8 Å²	55.8	26%	0.264	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	116.7	171.6	176.2	-151.3	0	0	0	108.6	L619 P620 L621 L681 Y682 S683 H684	H591-L619 WeakPolarHBondContact NE2-CB 3.29Å; H591-L619 WeakPolarHBondContact NE2-CD1 3.2Å; H591-P620 WeakPolarHBondContact CA-O 3.29Å; H591-L621 HydrophobicContact CB-CD1 3.92Å; H591-L681 HydrophobicContact CB-CD1 3.71Å; H591-L681 HydrophobicContact CB-CG 4.42Å; H591-Y682 PolarHBondContact N-O 3.4Å; H591-S683 CarbonylContact O-C 3.6Å; H591-S683 VanDerWaalsContact O-CA 3.27Å; H591-S683 WeakPolarHBondContact O-CA 3.32Å; H591-H684 PolarHBondContact O-N 2.97Å
592	L	77.4	Confident	81.5	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.7	-170.4	-53.2	-172.6	0	0	0	111.1	H590 V594 P620 F622 P628 F657 H684 I686	H590-L592 HydrophobicContact CB-CD2 4.02Å; L592-V594 HydrophobicContact CB-CG2 3.99Å; L592-P620 HydrophobicContact CB-CB 4.49Å; L592-P620 PolarHBondContact N-O 3.47Å; L592-P620 WeakPolarHBondContact O-CD 3.01Å; L592-F622 HydrophobicContact CD1-CD2 4.1Å; L592-F622 HydrophobicContact CD1-CE2 3.94Å; L592-F622 HydrophobicContact CG-CD2 4.27Å; L592-F622 HydrophobicContact CG-CE2 4.29Å; L592-P628 HydrophobicContact CD1-CB 3.46Å; L592-P628 VanDerWaalsContact CD1-CB 3.46Å; L592-P628 HydrophobicContact CD1-CG 4.06Å; L592-F657 HydrophobicContact CD2-CE1 3.61Å; L592-F657 HydrophobicContact CD2-CZ 4.15Å; L592-H684 HydrophobicContact CD2-CB 3.89Å; L592-I686 HydrophobicContact CD1-CD1 4.18Å; L592-I686 HydrophobicContact CD2-CD1 4.41Å
593	L	78.9	Confident	81.5	Confident	45 Å²	45	59.1 Å²	59.1	24%	0.236	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	107.1	161.6	177.7	65.2	0	0	0	108.1	L595 V605 L619 H684 V685 I686	L593-L595 HydrophobicContact CD1-CD2 4.16Å; L593-L595 HydrophobicContact CD1-CG 4.48Å; L593-L595 HydrophobicContact CD2-CD1 4.39Å; L593-L595 HydrophobicContact CG-CD1 4.49Å; L593-L595 HydrophobicContact CG-CD2 4.4Å; L593-L595 HydrophobicContact CG-CG 4.19Å; L593-V605 HydrophobicContact CD1-CG2 3.76Å; L593-L619 HydrophobicContact CD1-CD1 4.18Å; L593-L619 HydrophobicContact CD1-CD2 3.74Å; L593-H684 PolarHBondContact N-O 3.28Å; L593-V685 HydrophobicContact CB-CG1 4.49Å; L593-V685 HydrophobicContact CB-CG2 4.13Å; L593-V685 HydrophobicContact CD2-CG1 4.21Å; L593-V685 HydrophobicContact CD2-CG2 4.01Å; L593-V685 HydrophobicContact CG-CG1 4.37Å; L593-V685 WeakPolarHBondContact O-CA 3.2Å; L593-I686 PolarHBondContact O-N 3.36Å
594	V	80.6	Confident	81.3	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.3	-178.5	-168.5	0	0	0	0	109.2	L592 V605 L606 I686 L692 W705	L592-V594 HydrophobicContact CB-CG2 3.99Å; V594-V605 WeakPolarHBondContact O-CA 3.38Å; V594-L606 HydrophobicContact CB-CB 3.83Å; V594-L606 HydrophobicContact CB-CD2 4.34Å; V594-L606 HydrophobicContact CG2-CB 4.38Å; V594-L606 HydrophobicContact CG2-CD2 4.14Å; V594-L606 PolarHBondContact O-N 3.29Å; V594-I686 WeakPolarHBondContact CA-O 3.41Å; V594-I686 HydrophobicContact CG1-CB 4.43Å; V594-I686 HydrophobicContact CG2-CD1 4.31Å; V594-L692 HydrophobicContact CG1-CD1 4.17Å; V594-L692 HydrophobicContact CG1-CD2 3.35Å; V594-L692 HydrophobicContact CG1-CG 4.41Å; V594-W705 HydrophobicContact CB-CH2 4.44Å; V594-W705 HydrophobicContact CG1-CH2 3.7Å; V594-W705 HydrophobicContact CG1-CZ3 4.21Å
595	L	80.1	Confident	80.9	Confident	34 Å²	34	50.1 Å²	50.1	18%	0.178	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.6	-178	-61.8	175.4	0	0	0	109.7	L593 Q604 V605 V685 I686 S687 L692 I708 I739	L593-L595 HydrophobicContact CD1-CD2 4.16Å; L593-L595 HydrophobicContact CD1-CG 4.48Å; L593-L595 HydrophobicContact CD2-CD1 4.39Å; L593-L595 HydrophobicContact CG-CD1 4.49Å; L593-L595 HydrophobicContact CG-CD2 4.4Å; L593-L595 HydrophobicContact CG-CG 4.19Å; L595-Q604 WeakPolarHBondContact CA-O 3.17Å; L595-V605 HydrophobicContact CD2-CB 3.9Å; L595-V605 HydrophobicContact CD2-CG2 3.94Å; L595-V685 HydrophobicContact CD1-CG1 4.49Å; L595-I686 PolarHBondContact N-O 2.59Å; L595-S687 WeakPolarHBondContact O-CA 3.37Å; L595-L692 WeakPolarHBondContact O-CD1 3.22Å; L595-I708 HydrophobicContact CD2-CD1 4.29Å; L595-I739 HydrophobicContact CB-CD1 4.49Å; L595-I739 HydrophobicContact CD1-CD1 4.26Å; L595-I739 HydrophobicContact CD1-CG2 4.38Å
596	R	79.4	Confident	80.5	Confident	60 Å²	60	49.9 Å²	49.9	23%	0.226	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	168.1	173.7	76.4	174.5	-176.4	-177.2	3.2	111.6	K603 Q604 L692 I695 W705	R596-K603 CarbonylContact O-C 3.54Å; R596-K603 WeakPolarHBondContact O-CA 3.21Å; R596-Q604 HydrophobicContact CG-CB 4.01Å; R596-Q604 VanDerWaalsContact CZ-OE1 3.24Å; R596-Q604 PolarHBondContact N-O 3.42Å; R596-Q604 PolarHBondContact O-N 3.11Å; R596-L692 HydrophobicContact CB-CB 4.2Å; R596-L692 HydrophobicContact CB-CD1 4.05Å; R596-I695 PolarHBondContact NH1-O 2.82Å; R596-W705 HydrophobicContact CB-CH2 4.12Å; R596-W705 HydrophobicContact CB-CZ3 4.06Å; R596-W705 HydrophobicContact CG-CD2 4.33Å; R596-W705 HydrophobicContact CG-CE3 3.79Å; R596-W705 HydrophobicContact CG-CH2 3.84Å; R596-W705 HydrophobicContact CG-CZ2 4.38Å; R596-W705 HydrophobicContact CG-CZ3 3.53Å; R596-W705 VanDerWaalsContact CZ-CD2 3.49Å; R596-W705 VanDerWaalsContact CZ-NE1 3.27Å; R596-W705 VanDerWaalsContact NE-CD2 3.33Å; R596-W705 VanDerWaalsContact NH1-NE1 3.15Å; R596-W705 VanDerWaalsContact NH2-CG 3.32Å
597	K	76.7	Confident	80.1	Confident	105 Å²	105	49.1 Å²	49.1	46%	0.457	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	145.1	162.3	-62.5	-177.8	-161	140.8	0	109.8	D602 E689	K597-D602 CarbonylContact C-O 3.42Å; K597-D602 VanDerWaalsContact CA-O 3.28Å; K597-D602 WeakPolarHBondContact CA-O 3.08Å; K597-E689 WeakPolarHBondContact CD-OE1 3.42Å; K597-E689 WeakPolarHBondContact CE-OE1 3.44Å; K597-E689 IonicContact NZ-OE1 2.8Å; K597-E689 PolarHBondContact NZ-OE1 3.3Å; K597-E689 VanDerWaalsContact NZ-OE1 3.08Å
598	T	75.2	Confident	79.4	Confident	25 Å²	25	53.4 Å²	53.4	15%	0.153	26%	0.263	C	S	.	.			trans	-74.1	169	167.3	65.4	0	0	0	0	110.2	Q600 G601 D602 Q604	T598-Q600 PolarHBondContact O-N 2.73Å; T598-Q600 PolarHBondContact OG1-N 2.87Å; T598-Q600 PolarHBondContact OG1-OE1 2.92Å; T598-G601 WeakPolarHBondContact O-CA 3.44Å; T598-G601 PolarHBondContact O-N 2.84Å; T598-G601 PolarHBondContact OG1-N 3.42Å; T598-D602 HydrophobicContact CG2-CB 4.04Å; T598-D602 PolarHBondContact N-O 3.16Å; T598-D602 WeakPolarHBondContact OG1-CB 3.42Å; T598-D602 PolarHBondContact OG1-N 3.23Å; T598-Q604 HydrophobicContact CG2-CG 3.7Å
599	E	75.3	Confident	79	Confident	203 Å²	203	55.1 Å²	55.1	95%	0.949	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-28.3	170.5	-66.6	177.5	-177.9	0	0	112.2	G601	E599-G601 VanDerWaalsContact C-N 3.28Å; E599-G601 PolarHBondContact O-N 3.06Å
600	Q	76.9	Confident	78.3	Confident	152 Å²	152	58 Å²	58	71%	0.71	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-3.9	173.7	-58.9	93.3	-0.9	0	0	113.9	T598	T598-Q600 PolarHBondContact O-N 2.73Å; T598-Q600 PolarHBondContact OG1-N 2.87Å; T598-Q600 PolarHBondContact OG1-OE1 2.92Å
601	G	78	Confident	77.6	Confident	43 Å²	43	56.7 Å²	56.7	44%	0.443	27%	0.272	S	S	.	.			trans	88.2	0.8	-177.2	0	0	0	0	0	115	T598 E599 K603	T598-G601 WeakPolarHBondContact O-CA 3.44Å; T598-G601 PolarHBondContact O-N 2.84Å; T598-G601 PolarHBondContact OG1-N 3.42Å; E599-G601 VanDerWaalsContact C-N 3.28Å; E599-G601 PolarHBondContact O-N 3.06Å; G601-K603 PolarHBondContact O-N 2.87Å
602	D	76.7	Confident	77.1	Confident	87 Å²	87	55.7 Å²	55.7	47%	0.465	27%	0.274	S	S	.	.			trans	-67.5	131.3	178.1	-59	-46.8	0	0	0	110.2	K597 T598	K597-D602 CarbonylContact C-O 3.42Å; K597-D602 VanDerWaalsContact CA-O 3.28Å; K597-D602 WeakPolarHBondContact CA-O 3.08Å; T598-D602 HydrophobicContact CG2-CB 4.04Å; T598-D602 PolarHBondContact N-O 3.16Å; T598-D602 WeakPolarHBondContact OG1-CB 3.42Å; T598-D602 PolarHBondContact OG1-N 3.23Å
603	K	78.5	Confident	76.8	Confident	101 Å²	101	62.2 Å²	62.2	44%	0.439	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	135.8	176.7	-61.4	174.5	-173.6	165.7	0	109.4	R596 G601 I708	R596-K603 CarbonylContact O-C 3.54Å; R596-K603 WeakPolarHBondContact O-CA 3.21Å; G601-K603 PolarHBondContact O-N 2.87Å; K603-I708 HydrophobicContact CB-CB 4.22Å; K603-I708 HydrophobicContact CB-CD1 4Å; K603-I708 HydrophobicContact CB-CG1 4.45Å; K603-I708 WeakPolarHBondContact O-CB 3.48Å; K603-I708 PolarHBondContact O-N 3.23Å
604	Q	82.3	Confident	76.1	Confident	20 Å²	20	64.1 Å²	64.1	9%	0.093	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	148.2	175.8	-54.7	-169.2	-50.3	0	0	111	L595 R596 T598 W705 L706 S707	L595-Q604 WeakPolarHBondContact CA-O 3.17Å; R596-Q604 HydrophobicContact CG-CB 4.01Å; R596-Q604 VanDerWaalsContact CZ-OE1 3.24Å; R596-Q604 PolarHBondContact N-O 3.42Å; R596-Q604 PolarHBondContact O-N 3.11Å; T598-Q604 HydrophobicContact CG2-CG 3.7Å; Q604-W705 HydrophobicContact CB-CB 4.29Å; Q604-W705 HydrophobicContact CB-CE3 3.94Å; Q604-L706 CarbonylContact C-O 3.4Å; Q604-L706 VanDerWaalsContact CA-O 3.25Å; Q604-L706 WeakPolarHBondContact CA-O 3.2Å; Q604-S707 PolarHBondContact NE2-OG 3.06Å
605	V	80.9	Confident	75.2	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.006	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	140.1	173.5	60.2	0	0	0	0	110.5	L593 V594 L595 I607 F617 L619 L706 I708	L593-V605 HydrophobicContact CD1-CG2 3.76Å; V594-V605 WeakPolarHBondContact O-CA 3.38Å; L595-V605 HydrophobicContact CD2-CB 3.9Å; L595-V605 HydrophobicContact CD2-CG2 3.94Å; V605-I607 HydrophobicContact CG1-CG2 4.2Å; V605-I607 HydrophobicContact CG2-CG2 4.43Å; V605-F617 HydrophobicContact CB-CZ 4.46Å; V605-F617 HydrophobicContact CG1-CE2 3.69Å; V605-F617 HydrophobicContact CG1-CZ 3.71Å; V605-F617 HydrophobicContact CG2-CZ 3.92Å; V605-L619 HydrophobicContact CG2-CD2 4.19Å; V605-L706 HydrophobicContact CG1-CB 4.16Å; V605-L706 PolarHBondContact N-O 3.31Å; V605-L706 PolarHBondContact O-N 3.48Å; V605-I708 HydrophobicContact CB-CD1 4.27Å; V605-I708 HydrophobicContact CG1-CD1 4.42Å; V605-I708 HydrophobicContact CG1-CG1 4.18Å
606	L	80.9	Confident	74	Confident	3 Å²	3	73.9 Å²	73.9	2%	0.016	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	123.2	175.4	-169.9	70	0	0	0	110	V594 P620 F703 W705	V594-L606 HydrophobicContact CB-CB 3.83Å; V594-L606 HydrophobicContact CB-CD2 4.34Å; V594-L606 HydrophobicContact CG2-CB 4.38Å; V594-L606 HydrophobicContact CG2-CD2 4.14Å; V594-L606 PolarHBondContact O-N 3.29Å; L606-P620 HydrophobicContact CB-CG 4.5Å; L606-P620 HydrophobicContact CD2-CG 4.02Å; L606-P620 HydrophobicContact CG-CG 4.14Å; L606-P620 VanDerWaalsContact O-CD 3.3Å; L606-P620 WeakPolarHBondContact O-CD 3.18Å; L606-F703 HydrophobicContact CD1-CB 3.94Å; L606-F703 HydrophobicContact CG-CB 4.25Å; L606-W705 HydrophobicContact CB-CE3 4.07Å; L606-W705 HydrophobicContact CB-CH2 4.14Å; L606-W705 HydrophobicContact CB-CZ3 3.83Å; L606-W705 HydrophobicContact CD1-CD2 4.03Å; L606-W705 HydrophobicContact CD1-CE3 4.37Å; L606-W705 HydrophobicContact CD1-CG 4.49Å; L606-W705 HydrophobicContact CD1-CH2 4.49Å; L606-W705 HydrophobicContact CD1-CZ2 4.15Å
607	I	80.5	Confident	73.3	Confident	1 Å²	1	72.9 Å²	72.9	1%	0.005	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	163.2	178.2	61.3	171.7	0	0	0	111.6	V605 R609 A612 F617 F703 T704 L706	V605-I607 HydrophobicContact CG1-CG2 4.2Å; V605-I607 HydrophobicContact CG2-CG2 4.43Å; I607-R609 PolarHBondContact O-N 3.49Å; I607-A612 HydrophobicContact CD1-CB 3.47Å; I607-A612 VanDerWaalsContact CD1-CB 3.47Å; I607-A612 HydrophobicContact CG1-CB 4.19Å; I607-F617 HydrophobicContact CD1-CD2 4.45Å; I607-F617 HydrophobicContact CG2-CD1 4.39Å; I607-F617 HydrophobicContact CG2-CD2 3.82Å; I607-F617 HydrophobicContact CG2-CE1 4.02Å; I607-F617 HydrophobicContact CG2-CE2 3.4Å; I607-F617 VanDerWaalsContact CG2-CE2 3.4Å; I607-F617 HydrophobicContact CG2-CG 4.3Å; I607-F617 HydrophobicContact CG2-CZ 3.5Å; I607-F703 CarbonylContact O-C 3.39Å; I607-F703 VanDerWaalsContact O-CA 3.27Å; I607-F703 WeakPolarHBondContact O-CA 3.46Å; I607-T704 HydrophobicContact CG1-CG2 4.02Å; I607-T704 PolarHBondContact N-O 3.17Å; I607-T704 PolarHBondContact O-N 2.93Å; I607-L706 HydrophobicContact CD1-CB 3.66Å; I607-L706 HydrophobicContact CD1-CD1 4.48Å; I607-L706 HydrophobicContact CD1-CD2 3.79Å; I607-L706 HydrophobicContact CD1-CG 4.18Å; I607-L706 HydrophobicContact CG1-CB 4.05Å
608	R	75.8	Confident	72.8	Confident	100 Å²	100	71.6 Å²	71.6	38%	0.377	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	126.3	173.9	-161.9	174.9	-176.7	-127.5	-1.3	110.3	I610 A611 A612 I618 D702 F703	R608-I610 PolarHBondContact O-N 2.72Å; R608-A611 HydrophobicContact CB-CB 4.18Å; R608-A611 WeakPolarHBondContact O-CB 3.48Å; R608-A611 PolarHBondContact O-N 3.13Å; R608-A612 PolarHBondContact O-N 3.1Å; R608-I618 HydrophobicContact CB-CB 4.28Å; R608-I618 HydrophobicContact CB-CG2 4.49Å; R608-I618 PolarHBondContact N-O 3.43Å; R608-D702 CarbonylContact C-O 3.56Å; R608-D702 WeakPolarHBondContact CA-O 3.39Å; R608-D702 WeakPolarHBondContact CG-O 3.36Å; R608-F703 HydrophobicContact CB-CD1 4.37Å; R608-F703 HydrophobicContact CB-CE1 4.24Å; R608-F703 HydrophobicContact CG-CE1 4.4Å
609	R	78.8	Confident	72.8	Confident	66 Å²	66	72.1 Å²	72.1	25%	0.249	37%	0.369	C	S	.	.	H	α-helix	trans	-55.5	-48.6	-175.6	-179.2	-173.4	-65.5	-85.3	-7.9	112.8	I607 A611 A612 E613 S701 D702 F703 T704	I607-R609 PolarHBondContact O-N 3.49Å; R609-A611 PolarHBondContact O-N 3.42Å; R609-A612 WeakPolarHBondContact O-CB 3.2Å; R609-A612 PolarHBondContact O-N 2.97Å; R609-A612 VanDerWaalsContact O-N 3.08Å; R609-E613 WeakPolarHBondContact CG-OE1 3.38Å; R609-E613 WeakPolarHBondContact O-CG 2.91Å; R609-E613 PolarHBondContact O-N 3.36Å; R609-S701 PolarHBondContact NE-O 3.45Å; R609-D702 WeakPolarHBondContact CB-O 3.5Å; R609-D702 PolarHBondContact N-O 2.78Å; R609-F703 PolarHBondContact NH2-O 3.35Å; R609-T704 HydrophobicContact CB-CG2 4.4Å
610	I	71	Confident	72.8	Confident	84 Å²	84	62.5 Å²	62.5	43%	0.431	33%	0.325	S	S	.	.	H	α-helix	trans	-60.9	-34.8	179.1	-63.4	172.4	0	0	0	111.3	R608 T614	R608-I610 PolarHBondContact O-N 2.72Å; I610-T614 WeakPolarHBondContact O-CG2 3.44Å; I610-T614 PolarHBondContact O-N 3.4Å; I610-T614 PolarHBondContact O-OG1 2.68Å
611	A	66.6	Low	72.9	Confident	2 Å²	2	58.7 Å²	58.7	2%	0.017	31%	0.309	C	S	.	.	H	α-helix	trans	-67.4	-47.8	175.4	0	0	0	0	0	109.8	R608 R609 E613 T614 G615 R616 I618	R608-A611 HydrophobicContact CB-CB 4.18Å; R608-A611 WeakPolarHBondContact O-CB 3.48Å; R608-A611 PolarHBondContact O-N 3.13Å; R609-A611 PolarHBondContact O-N 3.42Å; A611-E613 VanDerWaalsContact C-N 3.3Å; A611-E613 PolarHBondContact O-N 3.47Å; A611-T614 CarbonylContact O-C 3.58Å; A611-T614 PolarHBondContact O-N 3.44Å; A611-T614 PolarHBondContact O-OG1 2.78Å; A611-G615 PolarHBondContact O-N 2.72Å; A611-R616 CarbonylContact C-O 3.56Å; A611-R616 WeakPolarHBondContact CA-O 2.89Å; A611-R616 HydrophobicContact CB-CB 4.03Å; A611-R616 WeakPolarHBondContact CB-O 3.16Å; A611-R616 CarbonylContact O-C 3.6Å; A611-R616 WeakPolarHBondContact O-CA 3.4Å; A611-R616 PolarHBondContact O-N 2.7Å; A611-I618 HydrophobicContact CB-CB 3.64Å; A611-I618 HydrophobicContact CB-CD1 3.77Å; A611-I618 HydrophobicContact CB-CG1 3.6Å
612	A	69.3	Low	73	Confident	36 Å²	36	57 Å²	57	30%	0.298	29%	0.289	S	S	.	.	H	α-helix	trans	-55.5	-43.3	176.9	0	0	0	0	0	112.7	I607 R608 R609 T614 G615 R616 T704	I607-A612 HydrophobicContact CD1-CB 3.47Å; I607-A612 VanDerWaalsContact CD1-CB 3.47Å; I607-A612 HydrophobicContact CG1-CB 4.19Å; R608-A612 PolarHBondContact O-N 3.1Å; R609-A612 WeakPolarHBondContact O-CB 3.2Å; R609-A612 PolarHBondContact O-N 2.97Å; R609-A612 VanDerWaalsContact O-N 3.08Å; A612-T614 PolarHBondContact O-N 2.99Å; A612-G615 PolarHBondContact O-N 3.1Å; A612-R616 PolarHBondContact N-O 3.19Å; A612-T704 HydrophobicContact CB-CG2 4.03Å
613	E	70.7	Confident	73	Confident	139 Å²	139	53.6 Å²	53.6	65%	0.65	27%	0.273	S	S	*	.	H	α-helix	trans	-67.1	-22.2	178.5	-71.3	172.7	-176	0	0	113.3	R609 A611	R609-E613 WeakPolarHBondContact CG-OE1 3.38Å; R609-E613 WeakPolarHBondContact O-CG 2.91Å; R609-E613 PolarHBondContact O-N 3.36Å; A611-E613 VanDerWaalsContact C-N 3.3Å; A611-E613 PolarHBondContact O-N 3.47Å
614	T	63.9	Low	72.6	Confident	85 Å²	85	50.9 Å²	50.9	52%	0.521	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	11.1	178.7	52.3	0	0	0	0	113	I610 A611 A612 R616	I610-T614 WeakPolarHBondContact O-CG2 3.44Å; I610-T614 PolarHBondContact O-N 3.4Å; I610-T614 PolarHBondContact O-OG1 2.68Å; A611-T614 CarbonylContact O-C 3.58Å; A611-T614 PolarHBondContact O-N 3.44Å; A611-T614 PolarHBondContact O-OG1 2.78Å; A612-T614 PolarHBondContact O-N 2.99Å; T614-R616 PolarHBondContact O-N 3.03Å
615	G	61.9	Low	71.7	Confident	66 Å²	66	53.8 Å²	53.8	68%	0.68	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	11	-176	0	0	0	0	0	114.3	A611 A612	A611-G615 PolarHBondContact O-N 2.72Å; A612-G615 PolarHBondContact O-N 3.1Å
616	R	55.5	Low	70.9	Confident	172 Å²	172	55.9 Å²	55.9	65%	0.649	31%	0.308	S	S	*	.			trans	-96.4	144.7	178.8	-64.5	-178.7	178.5	178.6	-0.5	110.7	A611 A612 T614	A611-R616 CarbonylContact C-O 3.56Å; A611-R616 WeakPolarHBondContact CA-O 2.89Å; A611-R616 HydrophobicContact CB-CB 4.03Å; A611-R616 WeakPolarHBondContact CB-O 3.16Å; A611-R616 CarbonylContact O-C 3.6Å; A611-R616 WeakPolarHBondContact O-CA 3.4Å; A611-R616 PolarHBondContact O-N 2.7Å; A612-R616 PolarHBondContact N-O 3.19Å; T614-R616 PolarHBondContact O-N 3.03Å
617	F	63.2	Low	70.1	Confident	40 Å²	40	56.7 Å²	56.7	18%	0.175	31%	0.312	C	S	.	.			trans	-107.7	97.5	176.4	-167.8	-84.3	0	0	0	110	V605 I607 L619 L706 Y715 L716 I719	V605-F617 HydrophobicContact CB-CZ 4.46Å; V605-F617 HydrophobicContact CG1-CE2 3.69Å; V605-F617 HydrophobicContact CG1-CZ 3.71Å; V605-F617 HydrophobicContact CG2-CZ 3.92Å; I607-F617 HydrophobicContact CD1-CD2 4.45Å; I607-F617 HydrophobicContact CG2-CD1 4.39Å; I607-F617 HydrophobicContact CG2-CD2 3.82Å; I607-F617 HydrophobicContact CG2-CE1 4.02Å; I607-F617 HydrophobicContact CG2-CE2 3.4Å; I607-F617 VanDerWaalsContact CG2-CE2 3.4Å; I607-F617 HydrophobicContact CG2-CG 4.3Å; I607-F617 HydrophobicContact CG2-CZ 3.5Å; F617-L619 HydrophobicContact CD1-CG 4.4Å; F617-L619 HydrophobicContact CE1-CD2 3.6Å; F617-L619 HydrophobicContact CE1-CG 3.82Å; F617-L619 HydrophobicContact CZ-CD2 4.1Å; F617-L706 HydrophobicContact CD2-CD2 4.13Å; F617-L706 HydrophobicContact CE2-CD2 4.04Å; F617-Y715 HydrophobicContact CB-CE1 3.73Å; F617-Y715 HydrophobicContact CG-CE1 4.32Å; F617-L716 HydrophobicContact CE1-CD2 4.42Å; F617-L716 HydrophobicContact CE2-CD2 4.37Å; F617-L716 HydrophobicContact CZ-CD2 3.97Å; F617-I719 HydrophobicContact CB-CD1 4.24Å; F617-I719 HydrophobicContact CD1-CD1 4.24Å; F617-I719 HydrophobicContact CG-CD1 4.24Å
618	I	67.2	Low	69.1	Low	77 Å²	77	56.8 Å²	56.8	40%	0.395	31%	0.313	S	S	.	.			trans	-113.4	114.6	178.3	-58.8	177.3	0	0	0	108.9	R608 A611	R608-I618 HydrophobicContact CB-CB 4.28Å; R608-I618 HydrophobicContact CB-CG2 4.49Å; R608-I618 PolarHBondContact N-O 3.43Å; A611-I618 HydrophobicContact CB-CB 3.64Å; A611-I618 HydrophobicContact CB-CD1 3.77Å; A611-I618 HydrophobicContact CB-CG1 3.6Å
619	L	74.5	Confident	68.5	Low	36 Å²	36	53.1 Å²	53.1	19%	0.188	30%	0.3	C	S	.	.			trans	-71.1	151.5	175	-73.1	176.9	0	0	0	111.5	H591 L593 V605 F617 L621	H591-L619 WeakPolarHBondContact NE2-CB 3.29Å; H591-L619 WeakPolarHBondContact NE2-CD1 3.2Å; L593-L619 HydrophobicContact CD1-CD1 4.18Å; L593-L619 HydrophobicContact CD1-CD2 3.74Å; V605-L619 HydrophobicContact CG2-CD2 4.19Å; F617-L619 HydrophobicContact CD1-CG 4.4Å; F617-L619 HydrophobicContact CE1-CD2 3.6Å; F617-L619 HydrophobicContact CE1-CG 3.82Å; F617-L619 HydrophobicContact CZ-CD2 4.1Å; L619-L621 PolarHBondContact O-N 3.11Å
620	P	76.8	Confident	67.9	Low	1 Å²	1	53.5 Å²	53.5	1%	0.006	30%	0.301	C	S	.	.			trans	-58.3	124.1	176.5	-21.4	27.8	0	0	0	114.1	H591 L592 L606 F622 F703	H591-P620 WeakPolarHBondContact CA-O 3.29Å; L592-P620 HydrophobicContact CB-CB 4.49Å; L592-P620 PolarHBondContact N-O 3.47Å; L592-P620 WeakPolarHBondContact O-CD 3.01Å; L606-P620 HydrophobicContact CB-CG 4.5Å; L606-P620 HydrophobicContact CD2-CG 4.02Å; L606-P620 HydrophobicContact CG-CG 4.14Å; L606-P620 VanDerWaalsContact O-CD 3.3Å; L606-P620 WeakPolarHBondContact O-CD 3.18Å; P620-F622 HydrophobicContact CB-CD2 4.24Å; P620-F622 HydrophobicContact CB-CE2 3.23Å; P620-F622 HydrophobicContact CB-CZ 3.49Å; P620-F622 VanDerWaalsContact CB-CZ 3.49Å; P620-F703 HydrophobicContact CB-CD1 4.16Å; P620-F703 HydrophobicContact CB-CE1 3.55Å; P620-F703 HydrophobicContact CB-CZ 4.07Å; P620-F703 HydrophobicContact CG-CD1 3.81Å; P620-F703 HydrophobicContact CG-CE1 3.69Å
621	L	78.8	Confident	67.5	Low	72 Å²	72	52.8 Å²	52.8	38%	0.377	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	123.5	174.1	-180	70.9	0	0	0	109.8	H589 H590 H591 L619 M679 L681	H589-L621 HydrophobicContact CB-CD1 4.13Å; H590-L621 WeakPolarHBondContact O-CA 3.44Å; H591-L621 HydrophobicContact CB-CD1 3.92Å; L619-L621 PolarHBondContact O-N 3.11Å; L621-M679 HydrophobicContact CD1-CE 3.7Å; L621-M679 HydrophobicContact CD2-CE 3.8Å; L621-M679 HydrophobicContact CG-CE 4.23Å; L621-L681 HydrophobicContact CD1-CD1 3.62Å
622	F	78.4	Confident	67.3	Low	9 Å²	9	52.8 Å²	52.8	4%	0.039	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148	-174.6	-54.4	-77.3	0	0	0	111.5	H589 H590 L592 P620 P628 H631 F703	H589-F622 CarbonylContact C-O 3.58Å; H589-F622 VanDerWaalsContact C-O 3.32Å; H589-F622 WeakPolarHBondContact CA-O 3.38Å; H589-F622 WeakPolarHBondContact CB-O 3.23Å; H590-F622 PolarHBondContact N-O 3.49Å; H590-F622 PolarHBondContact O-N 3.15Å; L592-F622 HydrophobicContact CD1-CD2 4.1Å; L592-F622 HydrophobicContact CD1-CE2 3.94Å; L592-F622 HydrophobicContact CG-CD2 4.27Å; L592-F622 HydrophobicContact CG-CE2 4.29Å; P620-F622 HydrophobicContact CB-CD2 4.24Å; P620-F622 HydrophobicContact CB-CE2 3.23Å; P620-F622 HydrophobicContact CB-CZ 3.49Å; P620-F622 VanDerWaalsContact CB-CZ 3.49Å; F622-P628 HydrophobicContact CB-CB 4.5Å; F622-P628 HydrophobicContact CD2-CB 3.5Å; F622-P628 VanDerWaalsContact CD2-CB 3.5Å; F622-P628 HydrophobicContact CD2-CG 4.28Å; F622-P628 WeakPolarHBondContact CE1-O 3.47Å; F622-P628 HydrophobicContact CE2-CB 3.7Å; F622-P628 WeakPolarHBondContact CE2-O 3.49Å; F622-P628 HydrophobicContact CG-CB 3.95Å; F622-P628 HydrophobicContact CZ-CB 4.36Å; F622-P628 WeakPolarHBondContact CZ-O 3.39Å; F622-H631 HydrophobicContact CE1-CB 4.32Å; F622-F703 AromaticContact CE1-CE2 3.65Å; F622-F703 HydrophobicContact CE1-CE2 3.65Å; F622-F703 AromaticContact CE1-CZ 3.54Å; F622-F703 HydrophobicContact CE1-CZ 3.54Å; F622-F703 HydrophobicContact CZ-CE1 4.17Å; F622-F703 AromaticContact CZ-CE2 3.72Å; F622-F703 HydrophobicContact CZ-CE2 3.72Å; F622-F703 AromaticContact CZ-CZ 3.46Å; F622-F703 HydrophobicContact CZ-CZ 3.46Å; F622-F703 VanDerWaalsContact CZ-CZ 3.46Å
623	A	77.6	Confident	66.7	Low	14 Å²	14	53.1 Å²	53.1	12%	0.116	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	144.9	165.4	0	0	0	0	0	109.5	A625 D626	A623-A625 PolarHBondContact O-N 3.05Å; A623-A625 VanDerWaalsContact O-N 3.12Å; A623-D626 WeakPolarHBondContact O-CA 3.03Å; A623-D626 WeakPolarHBondContact O-CB 3.25Å; A623-D626 PolarHBondContact O-N 3.3Å
624	A	70.9	Confident	66.1	Low	45 Å²	45	46.5 Å²	46.5	37%	0.372	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21	-173.2	0	0	0	0	0	115.5	A588 H590 D626	A588-A624 HydrophobicContact CB-CB 3.46Å; A588-A624 VanDerWaalsContact CB-CB 3.46Å; A588-A624 WeakPolarHBondContact O-CB 3.39Å; A588-A624 PolarHBondContact O-N 3.11Å; H590-A624 WeakPolarHBondContact NE2-CB 3.49Å; A624-D626 VanDerWaalsContact C-N 3.26Å
625	A	61.5	Low	66	Low	80 Å²	80	48.5 Å²	48.5	66%	0.661	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-11.7	173.1	0	0	0	0	0	112.8	A623	A623-A625 PolarHBondContact O-N 3.05Å; A623-A625 VanDerWaalsContact O-N 3.12Å
626	D	64.5	Low	65.7	Low	45 Å²	45	53.2 Å²	53.2	24%	0.241	27%	0.265	C	S	.	.	S	Bend	trans	-90	137.5	172.8	-57.4	-25	0	0	0	109.5	R582 A623 A624 P628	R582-D626 IonicContact CZ-OD1 2.79Å; R582-D626 IonicContact CZ-OD2 3.37Å; R582-D626 IonicContact NH1-OD1 3.62Å; R582-D626 PolarHBondContact NH1-OD1 3.41Å; R582-D626 IonicContact NH1-OD2 2.7Å; R582-D626 IonicContact NH2-OD1 2.69Å; R582-D626 PolarHBondContact NH2-OD1 3.11Å; R582-D626 IonicContact NH2-OD2 3.08Å; R582-D626 PolarHBondContact NH2-OD2 3.48Å; A623-D626 WeakPolarHBondContact O-CA 3.03Å; A623-D626 WeakPolarHBondContact O-CB 3.25Å; A623-D626 PolarHBondContact O-N 3.3Å; A624-D626 VanDerWaalsContact C-N 3.26Å; D626-P628 WeakPolarHBondContact O-CD 3.41Å
627	I	64.1	Low	65.8	Low	20 Å²	20	46.9 Å²	46.9	10%	0.103	25%	0.249	C	C	.	.			trans	-68.4	115.8	167.5	-63.1	174.7	0	0	0	105.3	F629 W630 M646 A649 R650 M653	I627-F629 PolarHBondContact O-N 3.38Å; I627-W630 HydrophobicContact CB-CB 4.26Å; I627-W630 HydrophobicContact CD1-CE3 4.31Å; I627-W630 WeakPolarHBondContact O-CB 3.16Å; I627-W630 PolarHBondContact O-N 2.99Å; I627-M646 HydrophobicContact CD1-CE 3.69Å; I627-M646 HydrophobicContact CD1-SD 3.36Å; I627-M646 WeakPolarHBondContact CD1-SD 3.39Å; I627-A649 HydrophobicContact CD1-CB 3.96Å; I627-R650 HydrophobicContact CD1-CG 4.21Å; I627-R650 HydrophobicContact CG1-CG 4.37Å; I627-M653 HydrophobicContact CG2-CG 3.9Å; I627-M653 HydrophobicContact CG2-SD 4.45Å
628	P	60.1	Low	65.7	Low	4 Å²	4	45.1 Å²	45.1	3%	0.026	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-31.3	-173.1	-30.5	37.4	0	0	0	113.8	L592 F622 D626 M653 F657	L592-P628 HydrophobicContact CD1-CB 3.46Å; L592-P628 VanDerWaalsContact CD1-CB 3.46Å; L592-P628 HydrophobicContact CD1-CG 4.06Å; F622-P628 HydrophobicContact CB-CB 4.5Å; F622-P628 HydrophobicContact CD2-CB 3.5Å; F622-P628 VanDerWaalsContact CD2-CB 3.5Å; F622-P628 HydrophobicContact CD2-CG 4.28Å; F622-P628 WeakPolarHBondContact CE1-O 3.47Å; F622-P628 HydrophobicContact CE2-CB 3.7Å; F622-P628 WeakPolarHBondContact CE2-O 3.49Å; F622-P628 HydrophobicContact CG-CB 3.95Å; F622-P628 HydrophobicContact CZ-CB 4.36Å; F622-P628 WeakPolarHBondContact CZ-O 3.39Å; D626-P628 WeakPolarHBondContact O-CD 3.41Å; P628-M653 HydrophobicContact CB-CE 4.19Å; P628-M653 HydrophobicContact CG-CE 3.58Å; P628-F657 HydrophobicContact CG-CE2 4.04Å; P628-F657 HydrophobicContact CG-CZ 3.73Å
629	F	63.5	Low	65.4	Low	22 Å²	22	44.3 Å²	44.3	10%	0.096	25%	0.253	C	S	.	.	H	α-helix	trans	-85.8	-4.1	178.3	-56.9	-65.5	0	0	0	114.3	I627 H631 A632 L633 M653 I686 I695	I627-F629 PolarHBondContact O-N 3.38Å; F629-H631 VanDerWaalsContact C-N 3.34Å; F629-H631 PolarHBondContact O-N 2.79Å; F629-A632 HydrophobicContact CB-CB 4.32Å; F629-A632 HydrophobicContact CD1-CB 4.18Å; F629-A632 CarbonylContact O-C 3.57Å; F629-A632 WeakPolarHBondContact O-CA 3.39Å; F629-A632 WeakPolarHBondContact O-CB 3.35Å; F629-A632 PolarHBondContact O-N 2.5Å; F629-L633 WeakPolarHBondContact O-CB 3.43Å; F629-L633 WeakPolarHBondContact O-CG 3.06Å; F629-L633 PolarHBondContact O-N 2.03Å; F629-M653 HydrophobicContact CD2-CE 4.14Å; F629-M653 HydrophobicContact CD2-SD 3.25Å; F629-M653 WeakPolarHBondContact CD2-SD 3.38Å; F629-M653 HydrophobicContact CE2-CE 3.79Å; F629-M653 HydrophobicContact CE2-SD 3.34Å; F629-M653 WeakPolarHBondContact CE2-SD 3.1Å; F629-I686 HydrophobicContact CZ-CD1 4.19Å; F629-I695 HydrophobicContact CD1-CD1 3.96Å; F629-I695 HydrophobicContact CE1-CD1 3.61Å; F629-I695 HydrophobicContact CE2-CD1 4.37Å; F629-I695 HydrophobicContact CG-CD1 4.49Å; F629-I695 HydrophobicContact CZ-CD1 3.84Å
630	W	65.3	Low	64.6	Low	74 Å²	74	49 Å²	49	28%	0.28	28%	0.278	S	S	.	.	H	α-helix	trans	-55.2	-49.8	178.6	-166.5	-94.3	0	0	0	111.7	I627 A632 L633 G634 A638 M646	I627-W630 HydrophobicContact CB-CB 4.26Å; I627-W630 HydrophobicContact CD1-CE3 4.31Å; I627-W630 WeakPolarHBondContact O-CB 3.16Å; I627-W630 PolarHBondContact O-N 2.99Å; W630-A632 VanDerWaalsContact C-N 3.35Å; W630-L633 PolarHBondContact O-N 3.49Å; W630-G634 PolarHBondContact O-N 2.85Å; W630-A638 HydrophobicContact CD2-CB 3.55Å; W630-A638 HydrophobicContact CE3-CB 3.99Å; W630-A638 HydrophobicContact CG-CB 4.01Å; W630-A638 HydrophobicContact CH2-CB 3.91Å; W630-A638 WeakPolarHBondContact CH2-O 3.31Å; W630-A638 HydrophobicContact CZ2-CB 3.51Å; W630-A638 HydrophobicContact CZ3-CB 4.07Å; W630-M646 HydrophobicContact CE3-CE 3.99Å; W630-M646 HydrophobicContact CE3-SD 3.72Å; W630-M646 HydrophobicContact CH2-CE 3.65Å; W630-M646 HydrophobicContact CH2-CG 4.24Å; W630-M646 HydrophobicContact CH2-SD 3.5Å; W630-M646 VanDerWaalsContact CH2-SD 3.5Å; W630-M646 HydrophobicContact CZ2-CE 4.34Å; W630-M646 HydrophobicContact CZ3-CE 3.51Å; W630-M646 HydrophobicContact CZ3-CG 4.13Å; W630-M646 HydrophobicContact CZ3-SD 2.97Å; W630-M646 WeakPolarHBondContact CZ3-SD 3.45Å
631	H	63.6	Low	63.7	Low	70 Å²	70	51.8 Å²	51.8	32%	0.324	29%	0.292	S	S	.	.	H	α-helix	trans	-72	-29.9	174.7	-71.2	-89.1	0	0	0	112.6	F622 F629 L633 G634 S701 D702 F703	F622-H631 HydrophobicContact CE1-CB 4.32Å; F629-H631 VanDerWaalsContact C-N 3.34Å; F629-H631 PolarHBondContact O-N 2.79Å; H631-L633 VanDerWaalsContact C-N 3.34Å; H631-G634 PolarHBondContact O-N 3.13Å; H631-S701 PolarHBondContact O-OG 2.82Å; H631-D702 IonicContact ND1-OD2 3.44Å; H631-F703 HydrophobicContact CB-CD2 4.16Å; H631-F703 HydrophobicContact CB-CE2 3.59Å
632	A	61	Low	62.5	Low	1 Å²	1	51.4 Å²	51.4	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-68.9	-32.4	175.9	0	0	0	0	0	112.1	F629 W630 H697 S701 F703	F629-A632 HydrophobicContact CB-CB 4.32Å; F629-A632 HydrophobicContact CD1-CB 4.18Å; F629-A632 CarbonylContact O-C 3.57Å; F629-A632 WeakPolarHBondContact O-CA 3.39Å; F629-A632 WeakPolarHBondContact O-CB 3.35Å; F629-A632 PolarHBondContact O-N 2.5Å; W630-A632 VanDerWaalsContact C-N 3.35Å; A632-H697 WeakPolarHBondContact O-CA 3.4Å; A632-H697 WeakPolarHBondContact O-CB 3.39Å; A632-S701 VanDerWaalsContact C-OG 3.28Å; A632-S701 WeakPolarHBondContact CA-OG 3.44Å; A632-S701 VanDerWaalsContact O-CB 3.23Å; A632-S701 WeakPolarHBondContact O-CB 3.47Å; A632-S701 PolarHBondContact O-OG 3.19Å; A632-F703 HydrophobicContact CB-CD2 4.13Å
633	L	57.7	Low	61.6	Low	43 Å²	43	55 Å²	55	23%	0.225	33%	0.33	C	S	.	.	H	α-helix	trans	-75.4	-24.6	178.3	-70.1	167.5	0	0	0	112.6	F629 W630 H631 A637 M641 G698	F629-L633 WeakPolarHBondContact O-CB 3.43Å; F629-L633 WeakPolarHBondContact O-CG 3.06Å; F629-L633 PolarHBondContact O-N 2.03Å; W630-L633 PolarHBondContact O-N 3.49Å; H631-L633 VanDerWaalsContact C-N 3.34Å; L633-A637 HydrophobicContact CB-CB 4.21Å; L633-A637 WeakPolarHBondContact O-CB 3.32Å; L633-M641 HydrophobicContact CD1-CE 3.82Å; L633-M641 HydrophobicContact CD1-SD 4.36Å; L633-G698 WeakPolarHBondContact O-CA 3.13Å; L633-G698 PolarHBondContact O-N 3.07Å; L633-G698 VanDerWaalsContact O-N 3.1Å
634	G	58.9	Low	60.6	Low	0 Å²	0	62.7 Å²	62.7	0%	0	36%	0.361	C	S	.	.			trans	93.7	146.8	-174.1	0	0	0	0	0	112	W630 H631 R636 A637 A638 D700	W630-G634 PolarHBondContact O-N 2.85Å; H631-G634 PolarHBondContact O-N 3.13Å; G634-R636 PolarHBondContact O-N 3.46Å; G634-A637 PolarHBondContact O-N 2.96Å; G634-A638 WeakPolarHBondContact O-CB 3.32Å; G634-A638 PolarHBondContact O-N 2.81Å; G634-D700 WeakPolarHBondContact CA-OD1 3.39Å
635	I	61	Low	60.3	Low	127 Å²	127	63.5 Å²	63.5	65%	0.651	36%	0.361	S	S	*	.	H	α-helix	trans	-58.1	-37.1	-173.4	-66.7	173.5	0	0	0	111.4	G639 D700	I635-G639 PolarHBondContact O-N 2.96Å; I635-D700 PolarHBondContact N-OD2 2.86Å
636	R	56.4	Low	60.3	Low	166 Å²	166	61.8 Å²	61.8	63%	0.626	34%	0.34	S	S	*	.	H	α-helix	trans	-66.9	-49.7	178.9	-67.4	-175.5	-160.5	-175.9	3.7	112.2	G634 A638 G639 D640 D700	G634-R636 PolarHBondContact O-N 3.46Å; R636-A638 PolarHBondContact O-N 3.42Å; R636-G639 PolarHBondContact O-N 3.26Å; R636-G639 VanDerWaalsContact O-N 3.12Å; R636-D640 PolarHBondContact O-N 2.8Å; R636-D700 PolarHBondContact N-OD2 3.15Å; R636-D700 VanDerWaalsContact N-OD2 3.14Å
637	A	57.6	Low	60.5	Low	39 Å²	39	65.7 Å²	65.7	32%	0.322	36%	0.357	S	S	.	.	H	α-helix	trans	-60.9	-38.7	179.5	0	0	0	0	0	111.3	L633 G634 M641	L633-A637 HydrophobicContact CB-CB 4.21Å; L633-A637 WeakPolarHBondContact O-CB 3.32Å; G634-A637 PolarHBondContact O-N 2.96Å; A637-M641 WeakPolarHBondContact O-CG 3.13Å; A637-M641 PolarHBondContact O-N 2.82Å
638	A	61	Low	60.5	Low	2 Å²	2	69 Å²	69	2%	0.017	38%	0.38	C	S	.	.	H	α-helix	trans	-62.8	-46.9	172.4	0	0	0	0	0	113.2	W630 G634 R636 D640 M641	W630-A638 HydrophobicContact CD2-CB 3.55Å; W630-A638 HydrophobicContact CE3-CB 3.99Å; W630-A638 HydrophobicContact CG-CB 4.01Å; W630-A638 HydrophobicContact CH2-CB 3.91Å; W630-A638 WeakPolarHBondContact CH2-O 3.31Å; W630-A638 HydrophobicContact CZ2-CB 3.51Å; W630-A638 HydrophobicContact CZ3-CB 4.07Å; G634-A638 WeakPolarHBondContact O-CB 3.32Å; G634-A638 PolarHBondContact O-N 2.81Å; R636-A638 PolarHBondContact O-N 3.42Å; A638-D640 VanDerWaalsContact C-N 3.3Å; A638-D640 PolarHBondContact O-N 2.9Å; A638-M641 PolarHBondContact O-N 3.43Å
639	G	59.8	Low	60.7	Low	61 Å²	61	70 Å²	70	63%	0.629	39%	0.389	S	S	*	.	H	α-helix	trans	-64	-32.3	-179.4	0	0	0	0	0	113.9	I635 R636 M641	I635-G639 PolarHBondContact O-N 2.96Å; R636-G639 PolarHBondContact O-N 3.26Å; R636-G639 VanDerWaalsContact O-N 3.12Å; G639-M641 VanDerWaalsContact C-N 3.33Å
640	D	58.4	Low	61	Low	134 Å²	134	75.8 Å²	75.8	72%	0.717	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-12.5	179.3	-64.3	-23.5	0	0	0	113.1	R636 A638 A642	R636-D640 PolarHBondContact O-N 2.8Å; A638-D640 VanDerWaalsContact C-N 3.3Å; A638-D640 PolarHBondContact O-N 2.9Å; D640-A642 PolarHBondContact O-N 3.13Å
641	M	57.2	Low	61.4	Low	60 Å²	60	76 Å²	76	30%	0.296	42%	0.419	S	S	.	.	S	Bend	trans	-75.5	109.1	178.6	-77.6	-175.2	-170.7	0	0	111.2	L633 A637 A638 G639 V645	L633-M641 HydrophobicContact CD1-CE 3.82Å; L633-M641 HydrophobicContact CD1-SD 4.36Å; A637-M641 WeakPolarHBondContact O-CG 3.13Å; A637-M641 PolarHBondContact O-N 2.82Å; A638-M641 PolarHBondContact O-N 3.43Å; G639-M641 VanDerWaalsContact C-N 3.33Å; M641-V645 HydrophobicContact CB-CB 3.99Å; M641-V645 HydrophobicContact CB-CG1 3.92Å; M641-V645 HydrophobicContact CG-CB 4.24Å; M641-V645 HydrophobicContact CG-CG1 3.65Å; M641-V645 HydrophobicContact SD-CG1 3.59Å; M641-V645 VanDerWaalsContact SD-CG1 3.59Å
642	A	53	Low	61.8	Low	63 Å²	63	75 Å²	75	52%	0.521	42%	0.424	S	S	.	.			trans	-55.7	155.1	174.1	0	0	0	0	0	112.5	D640 K644 V645 M646	D640-A642 PolarHBondContact O-N 3.13Å; A642-K644 PolarHBondContact O-N 3.32Å; A642-V645 WeakPolarHBondContact O-CA 3.21Å; A642-V645 VanDerWaalsContact O-CB 3.31Å; A642-V645 WeakPolarHBondContact O-CB 3.14Å; A642-V645 PolarHBondContact O-N 3.3Å; A642-M646 PolarHBondContact O-N 2.74Å
643	A	59.9	Low	62.5	Low	84 Å²	84	75.8 Å²	75.8	69%	0.694	43%	0.427	S	S	*	.	H	α-helix	trans	-51.2	-31.7	-179.6	0	0	0	0	0	114.7	M646 E647	A643-M646 WeakPolarHBondContact O-CB 2.99Å; A643-M646 PolarHBondContact O-N 3.03Å; A643-E647 PolarHBondContact O-N 3.42Å
644	K	56.6	Low	63.5	Low	177 Å²	177	81 Å²	81	77%	0.77	45%	0.448	S	S	*	.	H	α-helix	trans	-64.9	-37.8	173	-75.3	-175.9	176.6	-179.5	0	112.8	A642 M646 E647 C648	A642-K644 PolarHBondContact O-N 3.32Å; K644-M646 VanDerWaalsContact C-N 3.3Å; K644-E647 PolarHBondContact O-N 2.99Å; K644-C648 PolarHBondContact O-N 2.78Å; K644-C648 VanDerWaalsContact O-N 3.12Å; K644-C648 PolarHBondContact O-SG 2.96Å; K644-C648 VanDerWaalsContact O-SG 3.4Å
645	V	64.2	Low	64.4	Low	62 Å²	62	84.8 Å²	84.8	38%	0.376	47%	0.468	S	S	.	.	H	α-helix	trans	-66.7	-36.4	175.8	-175.8	0	0	0	0	110.2	M641 A642 E647 C648 A649	M641-V645 HydrophobicContact CB-CB 3.99Å; M641-V645 HydrophobicContact CB-CG1 3.92Å; M641-V645 HydrophobicContact CG-CB 4.24Å; M641-V645 HydrophobicContact CG-CG1 3.65Å; M641-V645 HydrophobicContact SD-CG1 3.59Å; M641-V645 VanDerWaalsContact SD-CG1 3.59Å; A642-V645 WeakPolarHBondContact O-CA 3.21Å; A642-V645 VanDerWaalsContact O-CB 3.31Å; A642-V645 WeakPolarHBondContact O-CB 3.14Å; A642-V645 PolarHBondContact O-N 3.3Å; V645-E647 PolarHBondContact O-N 3.4Å; V645-C648 PolarHBondContact O-N 3.05Å; V645-A649 VanDerWaalsContact O-CB 3.24Å; V645-A649 WeakPolarHBondContact O-CB 3.48Å; V645-A649 PolarHBondContact O-N 2.79Å
646	M	63.3	Low	65.3	Low	43 Å²	43	79.2 Å²	79.2	21%	0.212	44%	0.44	C	S	.	.	H	α-helix	trans	-61	-41.6	174.4	-79.5	-64.4	-99.2	0	0	113.3	I627 W630 A642 A643 K644 A649 R650	I627-M646 HydrophobicContact CD1-CE 3.69Å; I627-M646 HydrophobicContact CD1-SD 3.36Å; I627-M646 WeakPolarHBondContact CD1-SD 3.39Å; W630-M646 HydrophobicContact CE3-CE 3.99Å; W630-M646 HydrophobicContact CE3-SD 3.72Å; W630-M646 HydrophobicContact CH2-CE 3.65Å; W630-M646 HydrophobicContact CH2-CG 4.24Å; W630-M646 HydrophobicContact CH2-SD 3.5Å; W630-M646 VanDerWaalsContact CH2-SD 3.5Å; W630-M646 HydrophobicContact CZ2-CE 4.34Å; W630-M646 HydrophobicContact CZ3-CE 3.51Å; W630-M646 HydrophobicContact CZ3-CG 4.13Å; W630-M646 HydrophobicContact CZ3-SD 2.97Å; W630-M646 WeakPolarHBondContact CZ3-SD 3.45Å; A642-M646 PolarHBondContact O-N 2.74Å; A643-M646 WeakPolarHBondContact O-CB 2.99Å; A643-M646 PolarHBondContact O-N 3.03Å; K644-M646 VanDerWaalsContact C-N 3.3Å; M646-A649 PolarHBondContact O-N 3.18Å; M646-R650 WeakPolarHBondContact O-CG 3.09Å; M646-R650 PolarHBondContact O-N 2.81Å
647	E	67.1	Low	66.5	Low	128 Å²	128	73.3 Å²	73.3	60%	0.598	42%	0.419	S	S	*	.	H	α-helix	trans	-68.6	-42.1	177.8	-168.8	161.5	-159.3	0	0	112	A643 K644 V645 A649 R650 T651	A643-E647 PolarHBondContact O-N 3.42Å; K644-E647 PolarHBondContact O-N 2.99Å; V645-E647 PolarHBondContact O-N 3.4Å; E647-A649 PolarHBondContact O-N 2.69Å; E647-R650 PolarHBondContact O-N 2.7Å; E647-T651 PolarHBondContact O-N 2.9Å; E647-T651 PolarHBondContact O-OG1 3.03Å
648	C	64.4	Low	67.7	Low	88 Å²	88	80.2 Å²	80.2	60%	0.595	44%	0.442	S	S	*	.	H	α-helix	trans	-60.2	-44	170.9	-68.6	0	0	0	0	111.8	K644 V645 T651 A652	K644-C648 PolarHBondContact O-N 2.78Å; K644-C648 VanDerWaalsContact O-N 3.12Å; K644-C648 PolarHBondContact O-SG 2.96Å; K644-C648 VanDerWaalsContact O-SG 3.4Å; V645-C648 PolarHBondContact O-N 3.05Å; C648-T651 PolarHBondContact O-N 2.81Å; C648-A652 WeakPolarHBondContact O-CB 3.44Å; C648-A652 PolarHBondContact O-N 3.15Å
649	A	65.7	Low	68.4	Low	25 Å²	25	82.1 Å²	82.1	21%	0.207	46%	0.458	C	S	.	.	H	α-helix	trans	-64.9	-42.4	179.6	0	0	0	0	0	111.9	I627 V645 M646 E647 T651 A652 M653	I627-A649 HydrophobicContact CD1-CB 3.96Å; V645-A649 VanDerWaalsContact O-CB 3.24Å; V645-A649 WeakPolarHBondContact O-CB 3.48Å; V645-A649 PolarHBondContact O-N 2.79Å; M646-A649 PolarHBondContact O-N 3.18Å; E647-A649 PolarHBondContact O-N 2.69Å; A649-T651 VanDerWaalsContact C-N 3.29Å; A649-T651 PolarHBondContact O-N 3Å; A649-A652 PolarHBondContact O-N 2.89Å; A649-M653 WeakPolarHBondContact O-CB 3.07Å; A649-M653 VanDerWaalsContact O-CG 3.3Å; A649-M653 WeakPolarHBondContact O-CG 3.28Å; A649-M653 PolarHBondContact O-N 3.47Å
650	R	69.6	Low	69.4	Low	145 Å²	145	79.9 Å²	79.9	55%	0.547	43%	0.433	S	S	.	.	H	α-helix	trans	-60.4	-39.9	172.9	-74.5	-173.7	-143.9	137.7	1.3	111.9	I627 M646 E647 M653 K654	I627-R650 HydrophobicContact CD1-CG 4.21Å; I627-R650 HydrophobicContact CG1-CG 4.37Å; M646-R650 WeakPolarHBondContact O-CG 3.09Å; M646-R650 PolarHBondContact O-N 2.81Å; E647-R650 PolarHBondContact O-N 2.7Å; R650-M653 PolarHBondContact O-N 2.83Å; R650-K654 WeakPolarHBondContact O-CG 3.49Å; R650-K654 PolarHBondContact O-N 3.31Å; R650-K654 VanDerWaalsContact O-N 3.12Å
651	T	73	Confident	70.4	Confident	77 Å²	77	75.2 Å²	75.2	47%	0.472	41%	0.409	S	S	.	.	H	α-helix	trans	-66.8	-48.5	178.1	-55.1	0	0	0	0	110.9	E647 C648 A649 M653 K654 D655	E647-T651 PolarHBondContact O-N 2.9Å; E647-T651 PolarHBondContact O-OG1 3.03Å; C648-T651 PolarHBondContact O-N 2.81Å; A649-T651 VanDerWaalsContact C-N 3.29Å; A649-T651 PolarHBondContact O-N 3Å; T651-M653 VanDerWaalsContact C-N 3.29Å; T651-M653 PolarHBondContact O-N 2.96Å; T651-K654 WeakPolarHBondContact O-CB 3.45Å; T651-K654 PolarHBondContact O-N 2.78Å; T651-K654 VanDerWaalsContact O-N 3.09Å; T651-D655 PolarHBondContact O-N 2.98Å
652	A	71.8	Confident	71.5	Confident	51 Å²	51	77.1 Å²	77.1	42%	0.421	42%	0.416	S	S	.	.	H	α-helix	trans	-58.9	-39.1	174.9	0	0	0	0	0	112.1	C648 A649 K654 D655 V656	C648-A652 WeakPolarHBondContact O-CB 3.44Å; C648-A652 PolarHBondContact O-N 3.15Å; A649-A652 PolarHBondContact O-N 2.89Å; A652-K654 PolarHBondContact O-N 3.22Å; A652-D655 WeakPolarHBondContact O-CB 3.15Å; A652-D655 PolarHBondContact O-N 2.72Å; A652-D655 VanDerWaalsContact O-N 3.14Å; A652-V656 WeakPolarHBondContact O-CG2 3.16Å; A652-V656 PolarHBondContact O-N 3.07Å
653	M	75	Confident	72.3	Confident	16 Å²	16	76.1 Å²	76.1	8%	0.079	40%	0.401	C	S	.	.	H	α-helix	trans	-63.4	-38.2	175.3	-78.6	-53	-50.5	0	0	113.1	I627 P628 F629 A649 R650 T651 D655 V656 F657	I627-M653 HydrophobicContact CG2-CG 3.9Å; I627-M653 HydrophobicContact CG2-SD 4.45Å; P628-M653 HydrophobicContact CB-CE 4.19Å; P628-M653 HydrophobicContact CG-CE 3.58Å; F629-M653 HydrophobicContact CD2-CE 4.14Å; F629-M653 HydrophobicContact CD2-SD 3.25Å; F629-M653 WeakPolarHBondContact CD2-SD 3.38Å; F629-M653 HydrophobicContact CE2-CE 3.79Å; F629-M653 HydrophobicContact CE2-SD 3.34Å; F629-M653 WeakPolarHBondContact CE2-SD 3.1Å; A649-M653 WeakPolarHBondContact O-CB 3.07Å; A649-M653 VanDerWaalsContact O-CG 3.3Å; A649-M653 WeakPolarHBondContact O-CG 3.28Å; A649-M653 PolarHBondContact O-N 3.47Å; R650-M653 PolarHBondContact O-N 2.83Å; T651-M653 VanDerWaalsContact C-N 3.29Å; T651-M653 PolarHBondContact O-N 2.96Å; M653-D655 VanDerWaalsContact C-N 3.25Å; M653-D655 PolarHBondContact O-N 3.5Å; M653-V656 HydrophobicContact CE-CB 4.49Å; M653-V656 HydrophobicContact CE-CG1 4.45Å; M653-V656 PolarHBondContact O-N 3.2Å; M653-F657 HydrophobicContact CE-CD2 3.82Å; M653-F657 HydrophobicContact CE-CE2 3.37Å; M653-F657 HydrophobicContact CE-CZ 3.81Å; M653-F657 WeakPolarHBondContact O-CB 3.43Å; M653-F657 WeakPolarHBondContact O-CD2 3.21Å; M653-F657 PolarHBondContact O-N 3.48Å
654	K	79.2	Confident	73.1	Confident	154 Å²	154	73.1 Å²	73.1	67%	0.67	37%	0.372	S	S	*	.	H	α-helix	trans	-60.3	-40.7	173.3	-72.8	177.5	178.8	-179.8	0	110.6	R650 T651 A652 F657 K658	R650-K654 WeakPolarHBondContact O-CG 3.49Å; R650-K654 PolarHBondContact O-N 3.31Å; R650-K654 VanDerWaalsContact O-N 3.12Å; T651-K654 WeakPolarHBondContact O-CB 3.45Å; T651-K654 PolarHBondContact O-N 2.78Å; T651-K654 VanDerWaalsContact O-N 3.09Å; A652-K654 PolarHBondContact O-N 3.22Å; K654-F657 PolarHBondContact O-N 2.89Å; K654-K658 VanDerWaalsContact O-CB 3.23Å; K654-K658 WeakPolarHBondContact O-CB 3.25Å; K654-K658 PolarHBondContact O-N 3.27Å
655	D	78.5	Confident	74.2	Confident	78 Å²	78	66.2 Å²	66.2	42%	0.417	35%	0.351	S	S	.	.	H	α-helix	trans	-67.8	-41.8	176.5	-65.5	-26.6	0	0	0	112.2	T651 A652 M653 K658 A659 Y691	T651-D655 PolarHBondContact O-N 2.98Å; A652-D655 WeakPolarHBondContact O-CB 3.15Å; A652-D655 PolarHBondContact O-N 2.72Å; A652-D655 VanDerWaalsContact O-N 3.14Å; M653-D655 VanDerWaalsContact C-N 3.25Å; M653-D655 PolarHBondContact O-N 3.5Å; D655-K658 PolarHBondContact O-N 2.87Å; D655-A659 WeakPolarHBondContact O-CB 3.26Å; D655-A659 PolarHBondContact O-N 3.39Å; D655-Y691 HydrophobicContact CB-CE1 4.5Å
656	V	79.4	Confident	75	Confident	10 Å²	10	64.1 Å²	64.1	6%	0.061	34%	0.342	C	S	.	.	H	α-helix	trans	-59.4	-48.1	173.9	172.4	0	0	0	0	110.4	A652 M653 K658 A659 S660 I686 Y691	A652-V656 WeakPolarHBondContact O-CG2 3.16Å; A652-V656 PolarHBondContact O-N 3.07Å; M653-V656 HydrophobicContact CE-CB 4.49Å; M653-V656 HydrophobicContact CE-CG1 4.45Å; M653-V656 PolarHBondContact O-N 3.2Å; V656-K658 PolarHBondContact O-N 3.07Å; V656-A659 CarbonylContact O-C 3.59Å; V656-A659 PolarHBondContact O-N 3.34Å; V656-S660 VanDerWaalsContact O-CB 3.31Å; V656-S660 WeakPolarHBondContact O-CB 3.31Å; V656-S660 PolarHBondContact O-N 3.01Å; V656-I686 HydrophobicContact CG1-CD1 3.61Å; V656-I686 HydrophobicContact CG1-CG1 4.16Å; V656-I686 HydrophobicContact CG1-CG2 4.18Å; V656-Y691 HydrophobicContact CG2-CD1 3.52Å; V656-Y691 HydrophobicContact CG2-CD2 4.48Å; V656-Y691 HydrophobicContact CG2-CE1 4.05Å; V656-Y691 HydrophobicContact CG2-CG 3.78Å
657	F	80.9	Confident	75.9	Confident	42 Å²	42	63.8 Å²	63.8	18%	0.184	34%	0.342	C	S	.	.	H	α-helix	trans	-67.1	-35.4	178.4	-79.2	-56.8	0	0	0	112.7	H590 L592 P628 M653 K654 A659 S660 H684	H590-F657 HydrophobicContact CB-CE1 4.2Å; H590-F657 HydrophobicContact CB-CZ 3.97Å; H590-F657 AromaticContact CG-CE1 3.93Å; H590-F657 AromaticContact CG-CZ 3.6Å; H590-F657 AromaticContact ND1-CE1 3.58Å; H590-F657 AromaticContact ND1-CZ 3.59Å; L592-F657 HydrophobicContact CD2-CE1 3.61Å; L592-F657 HydrophobicContact CD2-CZ 4.15Å; P628-F657 HydrophobicContact CG-CE2 4.04Å; P628-F657 HydrophobicContact CG-CZ 3.73Å; M653-F657 HydrophobicContact CE-CD2 3.82Å; M653-F657 HydrophobicContact CE-CE2 3.37Å; M653-F657 HydrophobicContact CE-CZ 3.81Å; M653-F657 WeakPolarHBondContact O-CB 3.43Å; M653-F657 WeakPolarHBondContact O-CD2 3.21Å; M653-F657 PolarHBondContact O-N 3.48Å; K654-F657 PolarHBondContact O-N 2.89Å; F657-A659 VanDerWaalsContact C-N 3.32Å; F657-S660 WeakPolarHBondContact CA-OG 3.35Å; F657-S660 PolarHBondContact O-N 3.22Å; F657-S660 PolarHBondContact O-OG 3.47Å; F657-H684 AromaticContact CD1-CD2 3.87Å; F657-H684 AromaticContact CD1-CE1 3.74Å; F657-H684 AromaticContact CD1-CG 3.85Å; F657-H684 AromaticContact CD1-ND1 3.77Å; F657-H684 AromaticContact CD1-NE2 3.8Å; F657-H684 HydrophobicContact CE1-CB 4.49Å; F657-H684 AromaticContact CE1-CD2 3.64Å; F657-H684 AromaticContact CE1-CG 3.94Å; F657-H684 AromaticContact CE1-NE2 3.84Å
658	K	82.8	Confident	76.4	Confident	184 Å²	184	58.9 Å²	58.9	80%	0.8	32%	0.319	S	S	*	.	H	α-helix	trans	-66.4	-34.4	174.3	-172.2	177.7	-179.6	-177.3	0	112.2	K654 D655 V656	K654-K658 VanDerWaalsContact O-CB 3.23Å; K654-K658 WeakPolarHBondContact O-CB 3.25Å; K654-K658 PolarHBondContact O-N 3.27Å; D655-K658 PolarHBondContact O-N 2.87Å; V656-K658 PolarHBondContact O-N 3.07Å
659	A	77.5	Confident	76.9	Confident	42 Å²	42	55.7 Å²	55.7	35%	0.347	29%	0.294	S	S	.	.	H	α-helix	trans	-85.8	-18.3	175.5	0	0	0	0	0	113.5	D655 V656 F657 Y691	D655-A659 WeakPolarHBondContact O-CB 3.26Å; D655-A659 PolarHBondContact O-N 3.39Å; V656-A659 CarbonylContact O-C 3.59Å; V656-A659 PolarHBondContact O-N 3.34Å; F657-A659 VanDerWaalsContact C-N 3.32Å; A659-Y691 HydrophobicContact CB-CD2 4.33Å; A659-Y691 HydrophobicContact CB-CE2 3.31Å
660	S	80.8	Confident	77.4	Confident	15 Å²	15	54.7 Å²	54.7	11%	0.105	29%	0.287	C	S	.	.	S	Bend	trans	-66.7	151.4	176.5	78.4	0	0	0	0	111.2	V656 F657 H684 V685	V656-S660 VanDerWaalsContact O-CB 3.31Å; V656-S660 WeakPolarHBondContact O-CB 3.31Å; V656-S660 PolarHBondContact O-N 3.01Å; F657-S660 WeakPolarHBondContact CA-OG 3.35Å; F657-S660 PolarHBondContact O-N 3.22Å; F657-S660 PolarHBondContact O-OG 3.47Å; S660-H684 PolarHBondContact OG-ND1 2.87Å; S660-V685 WeakPolarHBondContact CA-O 3.35Å; S660-V685 WeakPolarHBondContact CB-O 3.5Å
661	T	78.7	Confident	77.6	Confident	35 Å²	35	51.4 Å²	51.4	22%	0.215	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	111.3	171.5	-57.2	0	0	0	0	108.6	L663 H684 V685 L743 Q747	T661-L663 PolarHBondContact O-N 2.86Å; T661-H684 WeakPolarHBondContact O-CA 3.37Å; T661-V685 PolarHBondContact N-O 2.71Å; T661-V685 PolarHBondContact O-N 3.38Å; T661-L743 HydrophobicContact CG2-CB 4.33Å; T661-Q747 HydrophobicContact CG2-CG 4.25Å
662	K	79.6	Confident	77.9	Confident	101 Å²	101	50.5 Å²	50.5	44%	0.439	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	123.9	173.7	-173.6	-179.1	177.3	-176.2	0	109.5	Y664 G665 Q747	K662-Y664 VanDerWaalsContact CE-O 3.31Å; K662-Y664 WeakPolarHBondContact CE-O 3.45Å; K662-G665 VanDerWaalsContact CE-CA 3.49Å; K662-Q747 PolarHBondContact O-NE2 2.93Å
663	L	70.6	Confident	78.7	Confident	42 Å²	42	48.1 Å²	48.1	22%	0.22	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-39.4	174.5	-64.4	-178.4	0	0	0	112.2	T661 S683 V685 L743 L746 V752	T661-L663 PolarHBondContact O-N 2.86Å; L663-S683 PolarHBondContact N-O 3.47Å; L663-V685 HydrophobicContact CD1-CG2 3.33Å; L663-V685 HydrophobicContact CD2-CG2 3.98Å; L663-V685 HydrophobicContact CG-CG2 3.63Å; L663-L743 HydrophobicContact CD2-CD2 4.16Å; L663-L746 HydrophobicContact CD2-CB 4.46Å; L663-L746 HydrophobicContact CD2-CD1 4.46Å; L663-V752 HydrophobicContact CB-CG1 4.35Å; L663-V752 HydrophobicContact CB-CG2 4.33Å
664	Y	76	Confident	79.4	Confident	20 Å²	20	47.3 Å²	47.3	8%	0.078	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	154.5	-179.1	-179	-101.4	0	0	0	111.1	K662 G666 N667 I668 L681 Y682 S683 R753 I756	K662-Y664 VanDerWaalsContact CE-O 3.31Å; K662-Y664 WeakPolarHBondContact CE-O 3.45Å; Y664-G666 WeakPolarHBondContact CE1-O 3.04Å; Y664-N667 PolarHBondContact OH-O 2.69Å; Y664-I668 HydrophobicContact CE1-CG2 3.71Å; Y664-L681 HydrophobicContact CD1-CB 4.14Å; Y664-L681 HydrophobicContact CD1-CD2 4.3Å; Y664-L681 HydrophobicContact CD1-CG 4.35Å; Y664-L681 WeakPolarHBondContact CD1-O 3.28Å; Y664-L681 HydrophobicContact CE1-CB 4.08Å; Y664-L681 WeakPolarHBondContact CE1-O 3.01Å; Y664-Y682 WeakPolarHBondContact O-CA 3.19Å; Y664-S683 PolarHBondContact N-O 2.66Å; Y664-S683 PolarHBondContact O-N 3.12Å; Y664-R753 HydrophobicContact CD2-CB 4.49Å; Y664-I756 HydrophobicContact CD1-CD1 3.47Å; Y664-I756 VanDerWaalsContact CD1-CD1 3.47Å; Y664-I756 HydrophobicContact CD2-CB 4.3Å; Y664-I756 HydrophobicContact CD2-CD1 3.45Å; Y664-I756 VanDerWaalsContact CD2-CD1 3.45Å; Y664-I756 HydrophobicContact CD2-CG1 4.44Å; Y664-I756 HydrophobicContact CD2-CG2 4.46Å; Y664-I756 HydrophobicContact CE1-CD1 3.82Å; Y664-I756 HydrophobicContact CE1-CG2 3.96Å; Y664-I756 HydrophobicContact CE2-CB 3.87Å; Y664-I756 HydrophobicContact CE2-CD1 3.79Å; Y664-I756 HydrophobicContact CE2-CG1 4.44Å; Y664-I756 HydrophobicContact CE2-CG2 3.68Å; Y664-I756 HydrophobicContact CG-CD1 3.28Å; Y664-I756 WeakPolarHBondContact OH-CG2 3.04Å
665	G	79.4	Confident	80	Confident	32 Å²	32	40.1 Å²	40.1	33%	0.33	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	108.7	170.5	0	0	0	0	0	110.8	K662 L681	K662-G665 VanDerWaalsContact CE-CA 3.49Å; G665-L681 VanDerWaalsContact CA-O 3.26Å; G665-L681 WeakPolarHBondContact CA-O 3.37Å
666	G	82.3	Confident	80.6	Confident	19 Å²	19	37.4 Å²	37.4	20%	0.196	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.1	177.2	-179.6	0	0	0	0	0	112.1	Y664 D680 L681	Y664-G666 WeakPolarHBondContact CE1-O 3.04Å; G666-D680 CarbonylContact O-C 3.49Å; G666-D680 WeakPolarHBondContact O-CA 3.25Å; G666-L681 PolarHBondContact N-O 2.98Å; G666-L681 VanDerWaalsContact N-O 3.1Å; G666-L681 PolarHBondContact O-N 3.22Å
667	N	81.3	Confident	81.1	Confident	36 Å²	36	36.9 Å²	36.9	19%	0.193	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	145.6	174	-60.3	24.5	0	0	0	109.5	Y664 W678 D680 N760	Y664-N667 PolarHBondContact OH-O 2.69Å; N667-W678 PolarHBondContact ND2-NE1 2.91Å; N667-D680 PolarHBondContact OD1-OD1 2.87Å; N667-N760 PolarHBondContact O-ND2 2.93Å
668	I	78.9	Confident	81.6	Confident	24 Å²	24	35.6 Å²	35.6	12%	0.123	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	145.1	169.4	61.4	160.3	0	0	0	109.5	Y664 A670 N673 M679 L681 I756 N760	Y664-I668 HydrophobicContact CE1-CG2 3.71Å; I668-A670 PolarHBondContact O-N 2.8Å; I668-N673 PolarHBondContact O-ND2 3.38Å; I668-M679 HydrophobicContact CD1-CE 3.9Å; I668-M679 HydrophobicContact CD1-CG 4.05Å; I668-M679 HydrophobicContact CD1-SD 3.75Å; I668-M679 HydrophobicContact CG1-CB 4.07Å; I668-M679 HydrophobicContact CG1-CG 3.88Å; I668-M679 HydrophobicContact CG1-SD 4.22Å; I668-M679 PolarHBondContact N-O 3.12Å; I668-L681 HydrophobicContact CB-CB 4.41Å; I668-L681 HydrophobicContact CD1-CB 3.86Å; I668-L681 HydrophobicContact CD1-CD1 4.48Å; I668-L681 HydrophobicContact CD1-CD2 4.14Å; I668-L681 HydrophobicContact CD1-CG 4.39Å; I668-L681 HydrophobicContact CG1-CB 3.94Å; I668-L681 HydrophobicContact CG2-CB 3.57Å; I668-L681 HydrophobicContact CG2-CD2 4.13Å; I668-L681 HydrophobicContact CG2-CG 4.49Å; I668-I756 HydrophobicContact CG2-CG2 3.7Å; I668-N760 WeakPolarHBondContact CA-OD1 3.38Å
669	W	74.2	Confident	81.8	Confident	21 Å²	21	27 Å²	27	8%	0.08	16%	0.156	C	C	.	.			trans	-72.3	121.3	168	-163.7	-86.1	0	0	0	109.2	H568 D570 T573 N760 A763 P767	H568-W669 AromaticContact CE1-CE3 3.5Å; H568-W669 AromaticContact CE1-CZ3 3.58Å; H568-W669 AromaticContact ND1-CZ3 3.84Å; H568-W669 AromaticContact NE2-CE3 3.97Å; D570-W669 HydrophobicContact CB-CE3 3.93Å; D570-W669 HydrophobicContact CB-CZ3 3.79Å; T573-W669 HydrophobicContact CG2-CH2 3.73Å; T573-W669 HydrophobicContact CG2-CZ2 4.32Å; T573-W669 HydrophobicContact CG2-CZ3 4.18Å; W669-N760 PolarHBondContact N-OD1 3.46Å; W669-A763 HydrophobicContact CB-CB 3.72Å; W669-A763 HydrophobicContact CD2-CB 4.48Å; W669-A763 HydrophobicContact CG-CB 3.56Å; W669-P767 HydrophobicContact CZ2-CB 3.73Å; W669-P767 VanDerWaalsContact NE1-CB 3.29Å
670	A	76.2	Confident	82.3	Confident	5 Å²	5	25.9 Å²	25.9	4%	0.041	14%	0.144	C	C	.	.			trans	-134.8	148.5	179.7	0	0	0	0	0	110.6	I668 R672 N673 M679	I668-A670 PolarHBondContact O-N 2.8Å; A670-R672 HydrophobicContact CB-CG 3.88Å; A670-R672 PolarHBondContact O-N 3.12Å; A670-N673 PolarHBondContact N-ND2 3.16Å; A670-N673 WeakPolarHBondContact O-CB 3.49Å; A670-N673 PolarHBondContact O-N 2.88Å; A670-M679 HydrophobicContact CB-CB 4.32Å; A670-M679 HydrophobicContact CB-SD 4.25Å
671	P	72.8	Confident	82.4	Confident	76 Å²	76	26 Å²	26	49%	0.494	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-5.9	177.4	-26.3	34.6	0	0	0	115.6	R515	R515-P671 PolarHBondContact NH2-O 3.43Å
672	R	80.7	Confident	82.6	Confident	57 Å²	57	27.7 Å²	27.7	22%	0.215	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-8.8	174.5	49.3	175.6	154.7	-113.8	-8.4	113.8	Y508 V580 N581 A670 M679	Y508-R672 WeakPolarHBondContact CE2-O 3.16Å; Y508-R672 PolarHBondContact OH-O 3.15Å; V580-R672 HydrophobicContact CG2-CB 3.41Å; V580-R672 VanDerWaalsContact CG2-CB 3.41Å; V580-R672 HydrophobicContact CG2-CG 4.47Å; N581-R672 PolarHBondContact ND2-O 2.9Å; A670-R672 HydrophobicContact CB-CG 3.88Å; A670-R672 PolarHBondContact O-N 3.12Å; R672-M679 PolarHBondContact NE-SD 2.81Å; R672-M679 PolarHBondContact NH2-SD 2.91Å
673	N	87.9	Confident	82.5	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.005	13%	0.128	C	C	.	.			trans	-66	145.2	178.1	-68.3	0.8	0	0	0	110.1	R515 H568 I668 A670 A677 W678 M679	R515-N673 PolarHBondContact NH1-O 2.97Å; R515-N673 PolarHBondContact NH2-O 3.4Å; H568-N673 PolarHBondContact NE2-ND2 3.08Å; I668-N673 PolarHBondContact O-ND2 3.38Å; A670-N673 PolarHBondContact N-ND2 3.16Å; A670-N673 WeakPolarHBondContact O-CB 3.49Å; A670-N673 PolarHBondContact O-N 2.88Å; N673-A677 CarbonylContact C-O 2.91Å; N673-A677 WeakPolarHBondContact CA-O 3.47Å; N673-W678 HydrophobicContact CB-CB 4.29Å; N673-W678 WeakPolarHBondContact OD1-CA 3.43Å; N673-M679 PolarHBondContact OD1-N 2.74Å
674	T	90.3	Very high	82.9	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-128.1	169.8	176.5	53.9	0	0	0	0	106.4	Y508 T573 M575 G577 N676 A677	Y508-T674 HydrophobicContact CE2-CG2 3.92Å; T573-T674 VanDerWaalsContact OG1-CA 3.27Å; T573-T674 WeakPolarHBondContact OG1-CA 3.31Å; M575-T674 HydrophobicContact CB-CG2 4.22Å; M575-T674 HydrophobicContact CG-CG2 4.06Å; M575-T674 CarbonylContact O-C 3.53Å; M575-T674 VanDerWaalsContact O-CA 3.23Å; M575-T674 WeakPolarHBondContact O-CA 3.42Å; M575-T674 VanDerWaalsContact O-CB 3.27Å; M575-T674 WeakPolarHBondContact O-CB 3.5Å; G577-T674 VanDerWaalsContact O-CB 3.31Å; G577-T674 WeakPolarHBondContact O-CB 3.4Å; G577-T674 PolarHBondContact O-OG1 3.34Å; T674-N676 PolarHBondContact O-N 2.75Å; T674-N676 VanDerWaalsContact O-N 3.15Å; T674-A677 PolarHBondContact N-O 2.9Å; T674-A677 PolarHBondContact O-N 2.89Å; T674-A677 WeakPolarHBondContact OG1-CA 3.28Å; T674-A677 WeakPolarHBondContact OG1-CB 3.43Å; T674-A677 PolarHBondContact OG1-N 2.83Å; T674-A677 PolarHBondContact OG1-O 2.73Å
675	D	91	Very high	83	Confident	2 Å²	2	21.1 Å²	21.1	1%	0.011	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-31.2	176.5	-61.4	-13.3	0	0	0	111.3	W525 Y532 P562 R567 H568 T573 M575	W525-D675 HydrophobicContact CH2-CB 3.86Å; W525-D675 HydrophobicContact CZ2-CB 3.87Å; Y532-D675 WeakPolarHBondContact CE1-OD2 3.36Å; Y532-D675 PolarHBondContact OH-OD1 3.04Å; Y532-D675 PolarHBondContact OH-OD2 2.97Å; Y532-D675 VanDerWaalsContact OH-OD2 3.07Å; P562-D675 HydrophobicContact CG-CB 4.33Å; R567-D675 CarbonylContact C-O 3.6Å; H568-D675 PolarHBondContact N-O 2.89Å; T573-D675 WeakPolarHBondContact CA-OD1 3.4Å; T573-D675 WeakPolarHBondContact CB-OD1 3.41Å; T573-D675 PolarHBondContact N-OD1 2.85Å; T573-D675 PolarHBondContact OG1-N 2.84Å; T573-D675 PolarHBondContact OG1-OD1 3.37Å; M575-D675 VanDerWaalsContact O-CG 3.24Å; M575-D675 PolarHBondContact O-N 2.92Å
676	N	91.1	Very high	83.1	Confident	21 Å²	21	19.7 Å²	19.7	11%	0.112	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-7.9	-174.9	-49	91.6	0	0	0	115.1	P562 L566 R576 G577 L584 G585 T674	P562-N676 VanDerWaalsContact CB-ND2 3.27Å; P562-N676 WeakPolarHBondContact CB-ND2 3.16Å; P562-N676 VanDerWaalsContact CG-ND2 3.33Å; P562-N676 WeakPolarHBondContact CG-ND2 3.35Å; L566-N676 VanDerWaalsContact O-CA 3.24Å; L566-N676 WeakPolarHBondContact O-CA 3.08Å; R576-N676 WeakPolarHBondContact CB-OD1 3.47Å; G577-N676 PolarHBondContact N-OD1 3.41Å; L584-N676 CarbonylContact C-O 3.45Å; L584-N676 WeakPolarHBondContact CA-O 3.47Å; L584-N676 HydrophobicContact CD2-CB 3.71Å; G585-N676 PolarHBondContact N-O 3.14Å; T674-N676 PolarHBondContact O-N 2.75Å; T674-N676 VanDerWaalsContact O-N 3.15Å
677	A	91.1	Very high	82.8	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	128.4	-176.2	0	0	0	0	0	111.8	R578 N581 K583 G585 N673 T674	R578-A677 HydrophobicContact CG-CB 4.48Å; N581-A677 HydrophobicContact CB-CB 4.01Å; N581-A677 PolarHBondContact ND2-O 3.38Å; K583-A677 WeakPolarHBondContact O-CB 3.48Å; G585-A677 WeakPolarHBondContact O-CA 2.88Å; N673-A677 CarbonylContact C-O 2.91Å; N673-A677 WeakPolarHBondContact CA-O 3.47Å; T674-A677 PolarHBondContact N-O 2.9Å; T674-A677 PolarHBondContact O-N 2.89Å; T674-A677 WeakPolarHBondContact OG1-CA 3.28Å; T674-A677 WeakPolarHBondContact OG1-CB 3.43Å; T674-A677 PolarHBondContact OG1-N 2.83Å; T674-A677 PolarHBondContact OG1-O 2.73Å
678	W	90.5	Very high	82.5	Confident	15 Å²	15	21.6 Å²	21.6	6%	0.057	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	165.9	-176.4	57.1	87.5	0	0	0	112.5	R567 H568 G585 G586 N587 N667 N673 D680	R567-W678 WeakPolarHBondContact O-CZ3 3.46Å; H568-W678 HydrophobicContact CB-CE3 4.13Å; H568-W678 WeakPolarHBondContact CD2-CB 3.36Å; H568-W678 WeakPolarHBondContact NE2-CB 3.49Å; G585-W678 PolarHBondContact O-N 3.48Å; G586-W678 VanDerWaalsContact CA-NE1 3.31Å; N587-W678 WeakPolarHBondContact CB-O 3.03Å; N587-W678 PolarHBondContact N-O 3.23Å; N587-W678 PolarHBondContact ND2-O 2.94Å; N667-W678 PolarHBondContact ND2-NE1 2.91Å; N673-W678 HydrophobicContact CB-CB 4.29Å; N673-W678 WeakPolarHBondContact OD1-CA 3.43Å; W678-D680 PolarHBondContact NE1-OD1 3.03Å; W678-D680 VanDerWaalsContact NE1-OD1 3.14Å
679	M	87.7	Confident	82.2	Confident	2 Å²	2	24.2 Å²	24.2	1%	0.01	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	126	178.7	-178.1	169.3	173.7	0	0	111.1	H589 L621 I668 A670 R672 N673 L681	H589-M679 HydrophobicContact CB-CE 3.36Å; H589-M679 HydrophobicContact CB-CG 4.24Å; H589-M679 HydrophobicContact CB-SD 4.48Å; L621-M679 HydrophobicContact CD1-CE 3.7Å; L621-M679 HydrophobicContact CD2-CE 3.8Å; L621-M679 HydrophobicContact CG-CE 4.23Å; I668-M679 HydrophobicContact CD1-CE 3.9Å; I668-M679 HydrophobicContact CD1-CG 4.05Å; I668-M679 HydrophobicContact CD1-SD 3.75Å; I668-M679 HydrophobicContact CG1-CB 4.07Å; I668-M679 HydrophobicContact CG1-CG 3.88Å; I668-M679 HydrophobicContact CG1-SD 4.22Å; I668-M679 PolarHBondContact N-O 3.12Å; A670-M679 HydrophobicContact CB-CB 4.32Å; A670-M679 HydrophobicContact CB-SD 4.25Å; R672-M679 PolarHBondContact NE-SD 2.81Å; R672-M679 PolarHBondContact NH2-SD 2.91Å; N673-M679 PolarHBondContact OD1-N 2.74Å; M679-L681 HydrophobicContact CE-CD1 3.73Å
680	D	87.7	Confident	82.4	Confident	20 Å²	20	29 Å²	29	11%	0.107	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	112.3	167.9	-54.5	-33.9	0	0	0	108.1	G586 N587 A588 H589 G666 N667 W678 Y682	G586-D680 VanDerWaalsContact C-OD2 3.29Å; G586-D680 WeakPolarHBondContact CA-OD2 3.26Å; N587-D680 PolarHBondContact O-N 3.42Å; A588-D680 CarbonylContact C-O 3.55Å; A588-D680 WeakPolarHBondContact CA-O 3.4Å; H589-D680 PolarHBondContact N-O 2.89Å; G666-D680 CarbonylContact O-C 3.49Å; G666-D680 WeakPolarHBondContact O-CA 3.25Å; N667-D680 PolarHBondContact OD1-OD1 2.87Å; W678-D680 PolarHBondContact NE1-OD1 3.03Å; W678-D680 VanDerWaalsContact NE1-OD1 3.14Å; D680-Y682 HydrophobicContact CB-CE2 3.84Å
681	L	83.5	Confident	82.2	Confident	17 Å²	17	31.9 Å²	31.9	9%	0.089	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	130.2	-179.6	-173.5	71	0	0	0	110.5	H589 H591 L621 Y664 G665 G666 I668 M679 I756	H589-L681 CarbonylContact O-C 3.39Å; H589-L681 WeakPolarHBondContact O-CA 3.5Å; H591-L681 HydrophobicContact CB-CD1 3.71Å; H591-L681 HydrophobicContact CB-CG 4.42Å; L621-L681 HydrophobicContact CD1-CD1 3.62Å; Y664-L681 HydrophobicContact CD1-CB 4.14Å; Y664-L681 HydrophobicContact CD1-CD2 4.3Å; Y664-L681 HydrophobicContact CD1-CG 4.35Å; Y664-L681 WeakPolarHBondContact CD1-O 3.28Å; Y664-L681 HydrophobicContact CE1-CB 4.08Å; Y664-L681 WeakPolarHBondContact CE1-O 3.01Å; G665-L681 VanDerWaalsContact CA-O 3.26Å; G665-L681 WeakPolarHBondContact CA-O 3.37Å; G666-L681 PolarHBondContact N-O 2.98Å; G666-L681 VanDerWaalsContact N-O 3.1Å; G666-L681 PolarHBondContact O-N 3.22Å; I668-L681 HydrophobicContact CB-CB 4.41Å; I668-L681 HydrophobicContact CD1-CB 3.86Å; I668-L681 HydrophobicContact CD1-CD1 4.48Å; I668-L681 HydrophobicContact CD1-CD2 4.14Å; I668-L681 HydrophobicContact CD1-CG 4.39Å; I668-L681 HydrophobicContact CG1-CB 3.94Å; I668-L681 HydrophobicContact CG2-CB 3.57Å; I668-L681 HydrophobicContact CG2-CD2 4.13Å; I668-L681 HydrophobicContact CG2-CG 4.49Å; M679-L681 HydrophobicContact CE-CD1 3.73Å; L681-I756 HydrophobicContact CD2-CD1 4.36Å
682	Y	82.3	Confident	82.2	Confident	71 Å²	71	28.4 Å²	28.4	28%	0.278	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	108.1	170.1	-62.8	-90.8	0	0	0	108.6	A588 H589 H590 H591 Y664 D680 H684	A588-Y682 HydrophobicContact CB-CD2 4.09Å; A588-Y682 HydrophobicContact CB-CE2 3.67Å; H589-Y682 PolarHBondContact O-N 2.86Å; H590-Y682 CarbonylContact C-O 3.54Å; H590-Y682 VanDerWaalsContact CA-O 3.25Å; H590-Y682 WeakPolarHBondContact CA-O 3.29Å; H591-Y682 PolarHBondContact N-O 3.4Å; Y664-Y682 WeakPolarHBondContact O-CA 3.19Å; D680-Y682 HydrophobicContact CB-CE2 3.84Å; Y682-H684 PolarHBondContact O-CD2 3.39Å
683	S	77	Confident	81.2	Confident	7 Å²	7	32.2 Å²	32.2	5%	0.049	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	128.9	179.8	-57.7	0	0	0	0	110.6	H591 L663 Y664	H591-S683 CarbonylContact O-C 3.6Å; H591-S683 VanDerWaalsContact O-CA 3.27Å; H591-S683 WeakPolarHBondContact O-CA 3.32Å; L663-S683 PolarHBondContact N-O 3.47Å; Y664-S683 PolarHBondContact N-O 2.66Å; Y664-S683 PolarHBondContact O-N 3.12Å
684	H	79.8	Confident	80	Confident	15 Å²	15	38.9 Å²	38.9	7%	0.069	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	144	-175.9	-61.3	-95.4	0	0	0	111.2	H590 H591 L592 L593 F657 S660 T661 Y682	H590-H684 AromaticContact CE1-NE2 3.89Å; H590-H684 AromaticContact ND1-CD2 3.59Å; H590-H684 AromaticContact ND1-NE2 3.2Å; H590-H684 PolarHBondContact ND1-NE2 3.34Å; H591-H684 PolarHBondContact O-N 2.97Å; L592-H684 HydrophobicContact CD2-CB 3.89Å; L593-H684 PolarHBondContact N-O 3.28Å; F657-H684 AromaticContact CD1-CD2 3.87Å; F657-H684 AromaticContact CD1-CE1 3.74Å; F657-H684 AromaticContact CD1-CG 3.85Å; F657-H684 AromaticContact CD1-ND1 3.77Å; F657-H684 AromaticContact CD1-NE2 3.8Å; F657-H684 HydrophobicContact CE1-CB 4.49Å; F657-H684 AromaticContact CE1-CD2 3.64Å; F657-H684 AromaticContact CE1-CG 3.94Å; F657-H684 AromaticContact CE1-NE2 3.84Å; S660-H684 PolarHBondContact OG-ND1 2.87Å; T661-H684 WeakPolarHBondContact O-CA 3.37Å; Y682-H684 PolarHBondContact O-CD2 3.39Å
685	V	77.1	Confident	78.8	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.6	167.1	-173	0	0	0	0	109.8	L593 L595 S660 T661 L663 L743	L593-V685 HydrophobicContact CB-CG1 4.49Å; L593-V685 HydrophobicContact CB-CG2 4.13Å; L593-V685 HydrophobicContact CD2-CG1 4.21Å; L593-V685 HydrophobicContact CD2-CG2 4.01Å; L593-V685 HydrophobicContact CG-CG1 4.37Å; L593-V685 WeakPolarHBondContact O-CA 3.2Å; L595-V685 HydrophobicContact CD1-CG1 4.49Å; S660-V685 WeakPolarHBondContact CA-O 3.35Å; S660-V685 WeakPolarHBondContact CB-O 3.5Å; T661-V685 PolarHBondContact N-O 2.71Å; T661-V685 PolarHBondContact O-N 3.38Å; L663-V685 HydrophobicContact CD1-CG2 3.33Å; L663-V685 HydrophobicContact CD2-CG2 3.98Å; L663-V685 HydrophobicContact CG-CG2 3.63Å; V685-L743 HydrophobicContact CB-CD1 4.09Å; V685-L743 HydrophobicContact CB-CD2 3.73Å; V685-L743 HydrophobicContact CG1-CD1 3.74Å; V685-L743 HydrophobicContact CG1-CD2 3.8Å; V685-L743 HydrophobicContact CG1-CG 4.39Å; V685-L743 HydrophobicContact CG2-CD2 3.5Å; V685-L743 VanDerWaalsContact CG2-CD2 3.5Å
686	I	80.8	Confident	77.6	Confident	3 Å²	3	48 Å²	48	2%	0.015	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	111	176.7	-53	169	0	0	0	107.1	L592 L593 V594 L595 F629 V656 L692	L592-I686 HydrophobicContact CD1-CD1 4.18Å; L592-I686 HydrophobicContact CD2-CD1 4.41Å; L593-I686 PolarHBondContact O-N 3.36Å; V594-I686 WeakPolarHBondContact CA-O 3.41Å; V594-I686 HydrophobicContact CG1-CB 4.43Å; V594-I686 HydrophobicContact CG2-CD1 4.31Å; L595-I686 PolarHBondContact N-O 2.59Å; F629-I686 HydrophobicContact CZ-CD1 4.19Å; V656-I686 HydrophobicContact CG1-CD1 3.61Å; V656-I686 HydrophobicContact CG1-CG1 4.16Å; V656-I686 HydrophobicContact CG1-CG2 4.18Å; I686-L692 HydrophobicContact CG2-CD1 4.44Å; I686-L692 HydrophobicContact CG2-CD2 3.82Å; I686-L692 HydrophobicContact CG2-CG 4.31Å
687	S	77.6	Confident	76.5	Confident	35 Å²	35	50 Å²	50	25%	0.245	24%	0.236	C	C	.	.			trans	-133.7	3.2	-179.9	67.1	0	0	0	0	113.6	L595 E689	L595-S687 WeakPolarHBondContact O-CA 3.37Å; S687-E689 PolarHBondContact O-N 2.83Å
688	D	74.9	Confident	75.1	Confident	60 Å²	60	51 Å²	51	32%	0.321	25%	0.246	S	C	.	.			trans	-80.1	111.5	-179.8	-172.7	-18	0	0	0	108.8	K690 Y691	D688-K690 PolarHBondContact O-N 3.41Å; D688-K690 VanDerWaalsContact O-N 3.09Å; D688-K690 WeakPolarHBondContact OD1-CD 3.2Å; D688-K690 VanDerWaalsContact OD1-CG 3.25Å; D688-K690 WeakPolarHBondContact OD1-CG 3.49Å; D688-K690 PolarHBondContact OD1-N 2.71Å; D688-K690 WeakPolarHBondContact OD2-CD 3.1Å; D688-K690 WeakPolarHBondContact OD2-CE 3.41Å; D688-K690 IonicContact OD2-NZ 2.63Å; D688-K690 PolarHBondContact OD2-NZ 3.16Å; D688-Y691 HydrophobicContact CB-CD2 4Å; D688-Y691 HydrophobicContact CB-CE2 4.4Å; D688-Y691 PolarHBondContact O-N 3.42Å
689	E	72.7	Confident	74	Confident	78 Å²	78	55.1 Å²	55.1	36%	0.364	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-53.9	-31.8	-173	-71.1	172.8	-173	0	0	111.7	K597 S687 Y691 L692 E693	K597-E689 WeakPolarHBondContact CD-OE1 3.42Å; K597-E689 WeakPolarHBondContact CE-OE1 3.44Å; K597-E689 IonicContact NZ-OE1 2.8Å; K597-E689 PolarHBondContact NZ-OE1 3.3Å; K597-E689 VanDerWaalsContact NZ-OE1 3.08Å; S687-E689 PolarHBondContact O-N 2.83Å; E689-Y691 PolarHBondContact O-N 2.85Å; E689-L692 PolarHBondContact O-N 2.92Å; E689-E693 WeakPolarHBondContact O-CG 3.27Å; E689-E693 PolarHBondContact O-N 3.22Å
690	K	77.5	Confident	73.1	Confident	122 Å²	122	58 Å²	58	53%	0.53	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-59.3	-24.2	179.7	83.4	-165.3	-178.7	-151.1	0	114.4	D688	D688-K690 PolarHBondContact O-N 3.41Å; D688-K690 VanDerWaalsContact O-N 3.09Å; D688-K690 WeakPolarHBondContact OD1-CD 3.2Å; D688-K690 VanDerWaalsContact OD1-CG 3.25Å; D688-K690 WeakPolarHBondContact OD1-CG 3.49Å; D688-K690 PolarHBondContact OD1-N 2.71Å; D688-K690 WeakPolarHBondContact OD2-CD 3.1Å; D688-K690 WeakPolarHBondContact OD2-CE 3.41Å; D688-K690 IonicContact OD2-NZ 2.63Å; D688-K690 PolarHBondContact OD2-NZ 3.16Å
691	Y	73	Confident	72.5	Confident	66 Å²	66	57.2 Å²	57.2	26%	0.259	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-98.4	-10.5	176.5	-60.4	-65.6	0	0	0	113.4	D655 V656 A659 D688 E689	D655-Y691 HydrophobicContact CB-CE1 4.5Å; V656-Y691 HydrophobicContact CG2-CD1 3.52Å; V656-Y691 HydrophobicContact CG2-CD2 4.48Å; V656-Y691 HydrophobicContact CG2-CE1 4.05Å; V656-Y691 HydrophobicContact CG2-CG 3.78Å; A659-Y691 HydrophobicContact CB-CD2 4.33Å; A659-Y691 HydrophobicContact CB-CE2 3.31Å; D688-Y691 HydrophobicContact CB-CD2 4Å; D688-Y691 HydrophobicContact CB-CE2 4.4Å; D688-Y691 PolarHBondContact O-N 3.42Å; E689-Y691 PolarHBondContact O-N 2.85Å
692	L	71.7	Confident	72.1	Confident	3 Å²	3	59.3 Å²	59.3	2%	0.016	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-26.3	-168.3	-59.8	-178.8	0	0	0	113.7	V594 L595 R596 I686 E689 N694 I695	V594-L692 HydrophobicContact CG1-CD1 4.17Å; V594-L692 HydrophobicContact CG1-CD2 3.35Å; V594-L692 HydrophobicContact CG1-CG 4.41Å; L595-L692 WeakPolarHBondContact O-CD1 3.22Å; R596-L692 HydrophobicContact CB-CB 4.2Å; R596-L692 HydrophobicContact CB-CD1 4.05Å; I686-L692 HydrophobicContact CG2-CD1 4.44Å; I686-L692 HydrophobicContact CG2-CD2 3.82Å; I686-L692 HydrophobicContact CG2-CG 4.31Å; E689-L692 PolarHBondContact O-N 2.92Å; L692-N694 PolarHBondContact O-N 3.07Å; L692-I695 HydrophobicContact CD2-CD1 3.87Å; L692-I695 PolarHBondContact O-N 3.4Å; L692-I695 VanDerWaalsContact O-N 3.14Å
693	E	61.1	Low	72.1	Confident	136 Å²	136	56.5 Å²	56.5	64%	0.636	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-27.4	-177.1	-78.3	170.5	-166.9	0	0	113.7	E689	E689-E693 WeakPolarHBondContact O-CG 3.27Å; E689-E693 PolarHBondContact O-N 3.22Å
694	N	61.8	Low	72.4	Confident	142 Å²	142	57.6 Å²	57.6	76%	0.759	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-0.3	-176.2	-66.4	-47	0	0	0	114.8	L692 K696	L692-N694 PolarHBondContact O-N 3.07Å; N694-K696 PolarHBondContact O-N 3.25Å
695	I	66	Low	72.6	Confident	19 Å²	19	57.9 Å²	57.9	10%	0.097	30%	0.303	C	S	.	.			trans	-80.8	87.9	-179.1	-54.2	-178.9	0	0	0	109.5	R596 F629 L692 W705	R596-I695 PolarHBondContact NH1-O 2.82Å; F629-I695 HydrophobicContact CD1-CD1 3.96Å; F629-I695 HydrophobicContact CE1-CD1 3.61Å; F629-I695 HydrophobicContact CE2-CD1 4.37Å; F629-I695 HydrophobicContact CG-CD1 4.49Å; F629-I695 HydrophobicContact CZ-CD1 3.84Å; L692-I695 HydrophobicContact CD2-CD1 3.87Å; L692-I695 PolarHBondContact O-N 3.4Å; L692-I695 VanDerWaalsContact O-N 3.14Å; I695-W705 HydrophobicContact CB-CZ2 4.45Å; I695-W705 HydrophobicContact CG2-CZ2 4.42Å
696	K	65	Low	72.8	Confident	175 Å²	175	60.4 Å²	60.4	76%	0.761	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-92.4	123.4	164.7	-65.3	-177.2	-179.1	177.7	0	108.2	N694	N694-K696 PolarHBondContact O-N 3.25Å
697	H	67.1	Low	72.8	Confident	62 Å²	62	62.7 Å²	62.7	29%	0.287	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-82.1	140.6	174.9	59.3	66.5	0	0	0	110.5	A632 W705	A632-H697 WeakPolarHBondContact O-CA 3.4Å; A632-H697 WeakPolarHBondContact O-CB 3.39Å; H697-W705 AromaticContact CD2-CD1 3.46Å; H697-W705 VanDerWaalsContact CD2-CD1 3.46Å; H697-W705 AromaticContact CD2-NE1 3.86Å; H697-W705 AromaticContact NE2-CD1 3.72Å
698	G	61.8	Low	72.5	Confident	20 Å²	20	62.7 Å²	62.7	21%	0.206	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-59.5	159.2	169	0	0	0	0	0	111.7	L633 D700 S701	L633-G698 WeakPolarHBondContact O-CA 3.13Å; L633-G698 PolarHBondContact O-N 3.07Å; L633-G698 VanDerWaalsContact O-N 3.1Å; G698-D700 PolarHBondContact O-N 3.06Å; G698-S701 WeakPolarHBondContact O-CB 3.25Å; G698-S701 PolarHBondContact O-N 2.81Å; G698-S701 VanDerWaalsContact O-N 3.08Å
699	A	68	Low	72.4	Confident	103 Å²	103	64 Å²	64	85%	0.851	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.6	173.7	0	0	0	0	0	112.3
700	D	68.9	Low	72.1	Confident	63 Å²	63	67.8 Å²	67.8	34%	0.337	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	10.5	175.1	62.9	-32.7	0	0	0	113.4	G634 I635 R636 G698	G634-D700 WeakPolarHBondContact CA-OD1 3.39Å; I635-D700 PolarHBondContact N-OD2 2.86Å; R636-D700 PolarHBondContact N-OD2 3.15Å; R636-D700 VanDerWaalsContact N-OD2 3.14Å; G698-D700 PolarHBondContact O-N 3.06Å
701	S	74.3	Confident	71.6	Confident	2 Å²	2	67 Å²	67	1%	0.014	36%	0.357	C	S	.	.			trans	-72.9	134.1	176.9	-178.8	0	0	0	0	112.2	R609 H631 A632 G698 F703	R609-S701 PolarHBondContact NE-O 3.45Å; H631-S701 PolarHBondContact O-OG 2.82Å; A632-S701 VanDerWaalsContact C-OG 3.28Å; A632-S701 WeakPolarHBondContact CA-OG 3.44Å; A632-S701 VanDerWaalsContact O-CB 3.23Å; A632-S701 WeakPolarHBondContact O-CB 3.47Å; A632-S701 PolarHBondContact O-OG 3.19Å; G698-S701 WeakPolarHBondContact O-CB 3.25Å; G698-S701 PolarHBondContact O-N 2.81Å; G698-S701 VanDerWaalsContact O-N 3.08Å; S701-F703 PolarHBondContact O-N 3.07Å; S701-F703 VanDerWaalsContact O-N 3.16Å; S701-F703 PolarHBondContact OG-N 3.27Å; S701-F703 PolarHBondContact OG-O 2.73Å
702	D	76	Confident	71.2	Confident	62 Å²	62	64.6 Å²	64.6	33%	0.332	35%	0.349	S	S	.	.	S	Bend	trans	-68.5	-5	172.1	-72.1	-35.2	0	0	0	112.9	R608 R609 H631	R608-D702 CarbonylContact C-O 3.56Å; R608-D702 WeakPolarHBondContact CA-O 3.39Å; R608-D702 WeakPolarHBondContact CG-O 3.36Å; R609-D702 WeakPolarHBondContact CB-O 3.5Å; R609-D702 PolarHBondContact N-O 2.78Å; H631-D702 IonicContact ND1-OD2 3.44Å
703	F	81.2	Confident	70.9	Confident	11 Å²	11	68.2 Å²	68.2	5%	0.048	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	155	-177.4	-60.9	-82.2	0	0	0	111.8	L606 I607 R608 R609 P620 F622 H631 A632 S701	L606-F703 HydrophobicContact CD1-CB 3.94Å; L606-F703 HydrophobicContact CG-CB 4.25Å; I607-F703 CarbonylContact O-C 3.39Å; I607-F703 VanDerWaalsContact O-CA 3.27Å; I607-F703 WeakPolarHBondContact O-CA 3.46Å; R608-F703 HydrophobicContact CB-CD1 4.37Å; R608-F703 HydrophobicContact CB-CE1 4.24Å; R608-F703 HydrophobicContact CG-CE1 4.4Å; R609-F703 PolarHBondContact NH2-O 3.35Å; P620-F703 HydrophobicContact CB-CD1 4.16Å; P620-F703 HydrophobicContact CB-CE1 3.55Å; P620-F703 HydrophobicContact CB-CZ 4.07Å; P620-F703 HydrophobicContact CG-CD1 3.81Å; P620-F703 HydrophobicContact CG-CE1 3.69Å; F622-F703 AromaticContact CE1-CE2 3.65Å; F622-F703 HydrophobicContact CE1-CE2 3.65Å; F622-F703 AromaticContact CE1-CZ 3.54Å; F622-F703 HydrophobicContact CE1-CZ 3.54Å; F622-F703 HydrophobicContact CZ-CE1 4.17Å; F622-F703 AromaticContact CZ-CE2 3.72Å; F622-F703 HydrophobicContact CZ-CE2 3.72Å; F622-F703 AromaticContact CZ-CZ 3.46Å; F622-F703 HydrophobicContact CZ-CZ 3.46Å; F622-F703 VanDerWaalsContact CZ-CZ 3.46Å; H631-F703 HydrophobicContact CB-CD2 4.16Å; H631-F703 HydrophobicContact CB-CE2 3.59Å; A632-F703 HydrophobicContact CB-CD2 4.13Å; S701-F703 PolarHBondContact O-N 3.07Å; S701-F703 VanDerWaalsContact O-N 3.16Å; S701-F703 PolarHBondContact OG-N 3.27Å; S701-F703 PolarHBondContact OG-O 2.73Å
704	T	84.2	Confident	71.1	Confident	30 Å²	30	65.6 Å²	65.6	18%	0.184	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	155	175.6	-166.7	0	0	0	0	110.1	I607 R609 A612	I607-T704 HydrophobicContact CG1-CG2 4.02Å; I607-T704 PolarHBondContact N-O 3.17Å; I607-T704 PolarHBondContact O-N 2.93Å; R609-T704 HydrophobicContact CB-CG2 4.4Å; A612-T704 HydrophobicContact CB-CG2 4.03Å
705	W	84.6	Confident	71.1	Confident	22 Å²	22	63.5 Å²	63.5	8%	0.083	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	125.1	170	-66.3	101.1	0	0	0	109.5	V594 R596 Q604 L606 I695 H697	V594-W705 HydrophobicContact CB-CH2 4.44Å; V594-W705 HydrophobicContact CG1-CH2 3.7Å; V594-W705 HydrophobicContact CG1-CZ3 4.21Å; R596-W705 HydrophobicContact CB-CH2 4.12Å; R596-W705 HydrophobicContact CB-CZ3 4.06Å; R596-W705 HydrophobicContact CG-CD2 4.33Å; R596-W705 HydrophobicContact CG-CE3 3.79Å; R596-W705 HydrophobicContact CG-CH2 3.84Å; R596-W705 HydrophobicContact CG-CZ2 4.38Å; R596-W705 HydrophobicContact CG-CZ3 3.53Å; R596-W705 VanDerWaalsContact CZ-CD2 3.49Å; R596-W705 VanDerWaalsContact CZ-NE1 3.27Å; R596-W705 VanDerWaalsContact NE-CD2 3.33Å; R596-W705 VanDerWaalsContact NH1-NE1 3.15Å; R596-W705 VanDerWaalsContact NH2-CG 3.32Å; Q604-W705 HydrophobicContact CB-CB 4.29Å; Q604-W705 HydrophobicContact CB-CE3 3.94Å; L606-W705 HydrophobicContact CB-CE3 4.07Å; L606-W705 HydrophobicContact CB-CH2 4.14Å; L606-W705 HydrophobicContact CB-CZ3 3.83Å; L606-W705 HydrophobicContact CD1-CD2 4.03Å; L606-W705 HydrophobicContact CD1-CE3 4.37Å; L606-W705 HydrophobicContact CD1-CG 4.49Å; L606-W705 HydrophobicContact CD1-CH2 4.49Å; L606-W705 HydrophobicContact CD1-CZ2 4.15Å; I695-W705 HydrophobicContact CB-CZ2 4.45Å; I695-W705 HydrophobicContact CG2-CZ2 4.42Å; H697-W705 AromaticContact CD2-CD1 3.46Å; H697-W705 VanDerWaalsContact CD2-CD1 3.46Å; H697-W705 AromaticContact CD2-NE1 3.86Å; H697-W705 AromaticContact NE2-CD1 3.72Å
706	L	81.2	Confident	70.9	Confident	54 Å²	54	64 Å²	64	28%	0.283	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	121.8	170.3	-174.6	69.2	0	0	0	108.6	Q604 V605 I607 F617 I708 T712	Q604-L706 CarbonylContact C-O 3.4Å; Q604-L706 VanDerWaalsContact CA-O 3.25Å; Q604-L706 WeakPolarHBondContact CA-O 3.2Å; V605-L706 HydrophobicContact CG1-CB 4.16Å; V605-L706 PolarHBondContact N-O 3.31Å; V605-L706 PolarHBondContact O-N 3.48Å; I607-L706 HydrophobicContact CD1-CB 3.66Å; I607-L706 HydrophobicContact CD1-CD1 4.48Å; I607-L706 HydrophobicContact CD1-CD2 3.79Å; I607-L706 HydrophobicContact CD1-CG 4.18Å; I607-L706 HydrophobicContact CG1-CB 4.05Å; F617-L706 HydrophobicContact CD2-CD2 4.13Å; F617-L706 HydrophobicContact CE2-CD2 4.04Å; L706-I708 PolarHBondContact O-N 3.29Å; L706-T712 HydrophobicContact CD2-CG2 3.66Å; L706-T712 HydrophobicContact CG-CG2 4.2Å
707	S	79.7	Confident	70.8	Confident	52 Å²	52	59.2 Å²	59.2	36%	0.364	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	128.9	172.3	-65.4	0	0	0	0	110	Q604 N709 T712	Q604-S707 PolarHBondContact NE2-OG 3.06Å; S707-N709 VanDerWaalsContact C-N 3.29Å; S707-N709 PolarHBondContact O-N 3.45Å; S707-T712 PolarHBondContact O-OG1 2.85Å
708	I	72.5	Confident	70.5	Confident	35 Å²	35	59 Å²	59	18%	0.179	32%	0.321	C	S	.	.			trans	-80	83.1	176.6	-55.8	175.2	0	0	0	107.1	L595 K603 V605 L706 T712 E713 L716	L595-I708 HydrophobicContact CD2-CD1 4.29Å; K603-I708 HydrophobicContact CB-CB 4.22Å; K603-I708 HydrophobicContact CB-CD1 4Å; K603-I708 HydrophobicContact CB-CG1 4.45Å; K603-I708 WeakPolarHBondContact O-CB 3.48Å; K603-I708 PolarHBondContact O-N 3.23Å; V605-I708 HydrophobicContact CB-CD1 4.27Å; V605-I708 HydrophobicContact CG1-CD1 4.42Å; V605-I708 HydrophobicContact CG1-CG1 4.18Å; L706-I708 PolarHBondContact O-N 3.29Å; I708-T712 HydrophobicContact CG1-CG2 4.44Å; I708-T712 HydrophobicContact CG2-CG2 4.5Å; I708-E713 HydrophobicContact CG2-CB 3.99Å; I708-L716 HydrophobicContact CB-CD1 4.48Å; I708-L716 HydrophobicContact CD1-CD1 3.9Å; I708-L716 HydrophobicContact CG1-CD1 3.94Å; I708-L716 HydrophobicContact CG2-CD1 3.78Å
709	N	71.5	Confident	70.2	Confident	86 Å²	86	59.4 Å²	59.4	46%	0.46	32%	0.318	S	S	.	.			trans	-84.7	176.9	170.1	67.7	12.2	0	0	0	110.6	S707 T711 T712 E713	S707-N709 VanDerWaalsContact C-N 3.29Å; S707-N709 PolarHBondContact O-N 3.45Å; N709-T711 VanDerWaalsContact C-N 3.28Å; N709-T711 PolarHBondContact O-N 2.79Å; N709-T711 PolarHBondContact OD1-N 3.04Å; N709-T712 CarbonylContact O-C 3.59Å; N709-T712 WeakPolarHBondContact O-CA 3.48Å; N709-T712 PolarHBondContact O-N 2.78Å; N709-T712 WeakPolarHBondContact OD1-CB 3.46Å; N709-T712 PolarHBondContact OD1-N 3.24Å; N709-T712 PolarHBondContact OD1-OG1 3.31Å; N709-E713 VanDerWaalsContact O-CB 3.3Å; N709-E713 WeakPolarHBondContact O-CB 3.36Å; N709-E713 PolarHBondContact O-N 3.03Å
710	K	66.6	Low	69.7	Low	158 Å²	158	56 Å²	56	69%	0.687	29%	0.286	S	S	*	.	H	α-helix	trans	-54.4	-40.7	179.9	-171.6	177.3	178.6	-177.4	0	113.2	E713 D714	K710-E713 CarbonylContact O-C 3.56Å; K710-E713 PolarHBondContact O-N 3.4Å; K710-D714 VanDerWaalsContact O-CB 3.24Å; K710-D714 WeakPolarHBondContact O-CB 3.49Å; K710-D714 PolarHBondContact O-N 2.75Å
711	T	68.2	Low	69.2	Low	106 Å²	106	55.6 Å²	55.6	65%	0.65	28%	0.282	S	S	*	.	H	α-helix	trans	-65.4	-39	176.1	-49.7	0	0	0	0	112.4	N709 Y715	N709-T711 VanDerWaalsContact C-N 3.28Å; N709-T711 PolarHBondContact O-N 2.79Å; N709-T711 PolarHBondContact OD1-N 3.04Å; T711-Y715 WeakPolarHBondContact O-CB 3.25Å; T711-Y715 PolarHBondContact O-N 2.88Å
712	T	63.7	Low	68.1	Low	15 Å²	15	58.9 Å²	58.9	9%	0.092	30%	0.296	C	S	.	.	H	α-helix	trans	-75.9	-30.3	177.6	-51.9	0	0	0	0	110.9	L706 S707 I708 N709 L716	L706-T712 HydrophobicContact CD2-CG2 3.66Å; L706-T712 HydrophobicContact CG-CG2 4.2Å; S707-T712 PolarHBondContact O-OG1 2.85Å; I708-T712 HydrophobicContact CG1-CG2 4.44Å; I708-T712 HydrophobicContact CG2-CG2 4.5Å; N709-T712 CarbonylContact O-C 3.59Å; N709-T712 WeakPolarHBondContact O-CA 3.48Å; N709-T712 PolarHBondContact O-N 2.78Å; N709-T712 WeakPolarHBondContact OD1-CB 3.46Å; N709-T712 PolarHBondContact OD1-N 3.24Å; N709-T712 PolarHBondContact OD1-OG1 3.31Å; T712-L716 HydrophobicContact CG2-CD1 4.17Å; T712-L716 HydrophobicContact CG2-CG 4.42Å; T712-L716 WeakPolarHBondContact O-CA 3.46Å; T712-L716 WeakPolarHBondContact O-CB 3.38Å; T712-L716 WeakPolarHBondContact O-CD1 3.46Å; T712-L716 WeakPolarHBondContact O-CG 3.39Å; T712-L716 PolarHBondContact O-N 3.19Å
713	E	64.8	Low	66.6	Low	80 Å²	80	59.5 Å²	59.5	37%	0.374	30%	0.297	S	S	.	.	H	α-helix	trans	-74.4	-38	173.3	-174.1	166.5	-151.3	0	0	110.3	I708 N709 K710 L716 K717 M733	I708-E713 HydrophobicContact CG2-CB 3.99Å; N709-E713 VanDerWaalsContact O-CB 3.3Å; N709-E713 WeakPolarHBondContact O-CB 3.36Å; N709-E713 PolarHBondContact O-N 3.03Å; K710-E713 CarbonylContact O-C 3.56Å; K710-E713 PolarHBondContact O-N 3.4Å; E713-L716 CarbonylContact O-C 2.91Å; E713-K717 WeakPolarHBondContact O-CA 3.34Å; E713-K717 WeakPolarHBondContact O-CB 3.19Å; E713-K717 PolarHBondContact O-N 2.96Å; E713-M733 HydrophobicContact CG-CE 3.48Å; E713-M733 VanDerWaalsContact CG-CE 3.48Å
714	D	65.7	Low	65.1	Low	80 Å²	80	59.7 Å²	59.7	43%	0.428	30%	0.298	S	S	.	.	H	α-helix	trans	-69	-36.6	171.7	-73.2	-25.6	0	0	0	110.7	K710 K717 D718	K710-D714 VanDerWaalsContact O-CB 3.24Å; K710-D714 WeakPolarHBondContact O-CB 3.49Å; K710-D714 PolarHBondContact O-N 2.75Å; D714-K717 CarbonylContact O-C 3.57Å; D714-K717 WeakPolarHBondContact O-CB 3.37Å; D714-K717 PolarHBondContact O-N 3.06Å; D714-D718 VanDerWaalsContact O-CB 3.28Å; D714-D718 WeakPolarHBondContact O-CB 3.5Å; D714-D718 PolarHBondContact O-N 3.38Å
715	Y	62.3	Low	63.8	Low	98 Å²	98	59 Å²	59	38%	0.384	29%	0.294	S	S	.	.	H	α-helix	trans	-75.4	-38.3	173.6	-176.9	-105.8	0	0	0	111.8	F617 T711 K717 D718 I719	F617-Y715 HydrophobicContact CB-CE1 3.73Å; F617-Y715 HydrophobicContact CG-CE1 4.32Å; T711-Y715 WeakPolarHBondContact O-CB 3.25Å; T711-Y715 PolarHBondContact O-N 2.88Å; Y715-K717 VanDerWaalsContact C-N 3.27Å; Y715-D718 CarbonylContact O-C 3.52Å; Y715-D718 PolarHBondContact O-N 2.86Å; Y715-I719 HydrophobicContact CD1-CD1 3.5Å; Y715-I719 VanDerWaalsContact CD1-CD1 3.5Å; Y715-I719 HydrophobicContact CD1-CG1 4.15Å; Y715-I719 HydrophobicContact CE1-CD1 3.06Å; Y715-I719 HydrophobicContact CE1-CG1 3.84Å; Y715-I719 HydrophobicContact CE2-CD1 4.45Å; Y715-I719 HydrophobicContact CE2-CG1 4.37Å; Y715-I719 HydrophobicContact CG-CD1 4.36Å; Y715-I719 WeakPolarHBondContact O-CB 3.35Å; Y715-I719 WeakPolarHBondContact O-CG1 3.43Å; Y715-I719 PolarHBondContact O-N 2.87Å
716	L	61	Low	62.6	Low	29 Å²	29	60.2 Å²	60.2	15%	0.152	31%	0.309	C	S	.	.	H	α-helix	trans	-65.9	-35.5	169.5	-80.1	168	0	0	0	109.7	F617 I708 T712 E713 I719 L720	F617-L716 HydrophobicContact CE1-CD2 4.42Å; F617-L716 HydrophobicContact CE2-CD2 4.37Å; F617-L716 HydrophobicContact CZ-CD2 3.97Å; I708-L716 HydrophobicContact CB-CD1 4.48Å; I708-L716 HydrophobicContact CD1-CD1 3.9Å; I708-L716 HydrophobicContact CG1-CD1 3.94Å; I708-L716 HydrophobicContact CG2-CD1 3.78Å; T712-L716 HydrophobicContact CG2-CD1 4.17Å; T712-L716 HydrophobicContact CG2-CG 4.42Å; T712-L716 WeakPolarHBondContact O-CA 3.46Å; T712-L716 WeakPolarHBondContact O-CB 3.38Å; T712-L716 WeakPolarHBondContact O-CD1 3.46Å; T712-L716 WeakPolarHBondContact O-CG 3.39Å; T712-L716 PolarHBondContact O-N 3.19Å; E713-L716 CarbonylContact O-C 2.91Å; L716-I719 CarbonylContact O-C 3.55Å; L716-I719 PolarHBondContact O-N 2.8Å; L716-L720 WeakPolarHBondContact O-CA 3.36Å; L716-L720 WeakPolarHBondContact O-CB 3.38Å; L716-L720 WeakPolarHBondContact O-CG 3.35Å; L716-L720 PolarHBondContact O-N 2.71Å
717	K	63.5	Low	61.5	Low	76 Å²	76	63.5 Å²	63.5	33%	0.33	32%	0.323	S	S	.	.	H	α-helix	trans	-65.2	-45.7	172.7	-178.5	177.4	173.1	-172.2	0	109.7	E713 D714 Y715 L720 E721 M733	E713-K717 WeakPolarHBondContact O-CA 3.34Å; E713-K717 WeakPolarHBondContact O-CB 3.19Å; E713-K717 PolarHBondContact O-N 2.96Å; D714-K717 CarbonylContact O-C 3.57Å; D714-K717 WeakPolarHBondContact O-CB 3.37Å; D714-K717 PolarHBondContact O-N 3.06Å; Y715-K717 VanDerWaalsContact C-N 3.27Å; K717-L720 CarbonylContact O-C 3.58Å; K717-L720 PolarHBondContact O-N 2.92Å; K717-E721 VanDerWaalsContact CE-CD 3.47Å; K717-E721 WeakPolarHBondContact CE-OE1 3.34Å; K717-E721 HydrophobicContact CG-CG 4.03Å; K717-E721 IonicContact NZ-OE1 2.6Å; K717-E721 WeakPolarHBondContact O-CA 3.27Å; K717-E721 WeakPolarHBondContact O-CB 3.19Å; K717-E721 VanDerWaalsContact O-CG 3.24Å; K717-E721 WeakPolarHBondContact O-CG 3.28Å; K717-E721 PolarHBondContact O-N 3.27Å; K717-M733 HydrophobicContact CB-CE 3.59Å; K717-M733 HydrophobicContact CB-CG 4.31Å; K717-M733 HydrophobicContact CB-SD 3.93Å; K717-M733 HydrophobicContact CD-CE 4.11Å; K717-M733 HydrophobicContact CG-CE 4.03Å; K717-M733 HydrophobicContact CG-CG 4.1Å; K717-M733 HydrophobicContact CG-SD 4.37Å
718	D	61.4	Low	60.4	Low	57 Å²	57	61.2 Å²	61.2	31%	0.305	31%	0.307	S	S	.	.	H	α-helix	trans	-60.1	-49.5	174.3	-177.7	54.4	0	0	0	109.1	D714 Y715 L720 K722	D714-D718 VanDerWaalsContact O-CB 3.28Å; D714-D718 WeakPolarHBondContact O-CB 3.5Å; D714-D718 PolarHBondContact O-N 3.38Å; Y715-D718 CarbonylContact O-C 3.52Å; Y715-D718 PolarHBondContact O-N 2.86Å; D718-L720 PolarHBondContact O-N 2.87Å; D718-K722 VanDerWaalsContact CG-CE 3.49Å; D718-K722 WeakPolarHBondContact O-CA 3.22Å; D718-K722 WeakPolarHBondContact O-CB 3.21Å; D718-K722 WeakPolarHBondContact O-CD 3.27Å; D718-K722 WeakPolarHBondContact O-CG 3.1Å; D718-K722 PolarHBondContact O-N 2.88Å; D718-K722 WeakPolarHBondContact OD1-CE 3.43Å; D718-K722 IonicContact OD1-NZ 3.25Å; D718-K722 PolarHBondContact OD1-NZ 2.85Å; D718-K722 WeakPolarHBondContact OD2-CD 3.36Å; D718-K722 VanDerWaalsContact OD2-CE 3.25Å; D718-K722 WeakPolarHBondContact OD2-CE 3.48Å; D718-K722 IonicContact OD2-NZ 3.85Å; D718-K722 PolarHBondContact OD2-NZ 2.76Å
719	I	55.1	Low	59.8	Low	28 Å²	28	59.6 Å²	59.6	14%	0.144	30%	0.298	C	S	.	.	H	α-helix	trans	-62.4	-37.1	174.6	-63.6	170.3	0	0	0	111.7	F617 Y715 L716 K722 M723	F617-I719 HydrophobicContact CB-CD1 4.24Å; F617-I719 HydrophobicContact CD1-CD1 4.24Å; F617-I719 HydrophobicContact CG-CD1 4.24Å; Y715-I719 HydrophobicContact CD1-CD1 3.5Å; Y715-I719 VanDerWaalsContact CD1-CD1 3.5Å; Y715-I719 HydrophobicContact CD1-CG1 4.15Å; Y715-I719 HydrophobicContact CE1-CD1 3.06Å; Y715-I719 HydrophobicContact CE1-CG1 3.84Å; Y715-I719 HydrophobicContact CE2-CD1 4.45Å; Y715-I719 HydrophobicContact CE2-CG1 4.37Å; Y715-I719 HydrophobicContact CG-CD1 4.36Å; Y715-I719 WeakPolarHBondContact O-CB 3.35Å; Y715-I719 WeakPolarHBondContact O-CG1 3.43Å; Y715-I719 PolarHBondContact O-N 2.87Å; L716-I719 CarbonylContact O-C 3.55Å; L716-I719 PolarHBondContact O-N 2.8Å; I719-K722 CarbonylContact O-C 3.55Å; I719-K722 WeakPolarHBondContact O-CB 3.38Å; I719-K722 PolarHBondContact O-N 3.35Å; I719-M723 HydrophobicContact CB-CE 4.47Å; I719-M723 HydrophobicContact CG2-CE 3.22Å; I719-M723 HydrophobicContact CG2-CG 4Å; I719-M723 HydrophobicContact CG2-SD 3.6Å; I719-M723 VanDerWaalsContact CG2-SD 3.6Å; I719-M723 WeakPolarHBondContact O-CA 3.49Å; I719-M723 WeakPolarHBondContact O-CB 3.12Å; I719-M723 WeakPolarHBondContact O-CG 3.42Å; I719-M723 PolarHBondContact O-N 2.86Å
720	L	57.3	Low	59.4	Low	33 Å²	33	60.9 Å²	60.9	17%	0.173	30%	0.302	C	S	.	.	H	α-helix	trans	-78.9	-42.4	-177.5	-73.7	175	0	0	0	111.3	L716 K717 D718 K722 M723 F724 A729 L732 M733	L716-L720 WeakPolarHBondContact O-CA 3.36Å; L716-L720 WeakPolarHBondContact O-CB 3.38Å; L716-L720 WeakPolarHBondContact O-CG 3.35Å; L716-L720 PolarHBondContact O-N 2.71Å; K717-L720 CarbonylContact O-C 3.58Å; K717-L720 PolarHBondContact O-N 2.92Å; D718-L720 PolarHBondContact O-N 2.87Å; L720-K722 PolarHBondContact O-N 3.34Å; L720-M723 HydrophobicContact CD2-CE 4.11Å; L720-M723 CarbonylContact O-C 3.5Å; L720-M723 PolarHBondContact O-N 3.47Å; L720-F724 HydrophobicContact CB-CD2 4.25Å; L720-F724 HydrophobicContact CD2-CD2 3.56Å; L720-F724 HydrophobicContact CD2-CE2 3.37Å; L720-F724 WeakPolarHBondContact O-CA 3.25Å; L720-F724 VanDerWaalsContact O-CB 3.25Å; L720-F724 WeakPolarHBondContact O-CB 3.41Å; L720-F724 WeakPolarHBondContact O-CD2 3.38Å; L720-F724 PolarHBondContact O-N 3.18Å; L720-A729 HydrophobicContact CB-CB 4.39Å; L720-A729 WeakPolarHBondContact O-CB 3.23Å; L720-L732 HydrophobicContact CD1-CB 4.25Å; L720-L732 HydrophobicContact CD2-CD1 4.02Å; L720-M733 HydrophobicContact CD1-CG 4.25Å; L720-M733 HydrophobicContact CD1-SD 3.71Å
721	E	59.1	Low	59.1	Low	53 Å²	53	56.9 Å²	56.9	25%	0.248	28%	0.284	C	S	.	.	H	α-helix	trans	-60.7	-39.9	167.7	-72.6	179.3	164	0	0	107.9	K717 A729 N776	K717-E721 VanDerWaalsContact CE-CD 3.47Å; K717-E721 WeakPolarHBondContact CE-OE1 3.34Å; K717-E721 HydrophobicContact CG-CG 4.03Å; K717-E721 IonicContact NZ-OE1 2.6Å; K717-E721 WeakPolarHBondContact O-CA 3.27Å; K717-E721 WeakPolarHBondContact O-CB 3.19Å; K717-E721 VanDerWaalsContact O-CG 3.24Å; K717-E721 WeakPolarHBondContact O-CG 3.28Å; K717-E721 PolarHBondContact O-N 3.27Å; E721-A729 HydrophobicContact CB-CB 4.1Å; E721-A729 HydrophobicContact CG-CB 3.55Å; E721-N776 WeakPolarHBondContact O-CB 3.28Å; E721-N776 PolarHBondContact O-ND2 3.23Å; E721-N776 PolarHBondContact O-OD1 2.95Å
722	K	50.4	Low	58.4	Low	71 Å²	71	52.7 Å²	52.7	31%	0.309	26%	0.258	S	S	.	.	H	α-helix	trans	-62.3	-56.1	172.8	-79.1	171.6	168.8	173.3	0	110.4	D718 I719 L720 F724 P774 V775 N776	D718-K722 VanDerWaalsContact CG-CE 3.49Å; D718-K722 WeakPolarHBondContact O-CA 3.22Å; D718-K722 WeakPolarHBondContact O-CB 3.21Å; D718-K722 WeakPolarHBondContact O-CD 3.27Å; D718-K722 WeakPolarHBondContact O-CG 3.1Å; D718-K722 PolarHBondContact O-N 2.88Å; D718-K722 WeakPolarHBondContact OD1-CE 3.43Å; D718-K722 IonicContact OD1-NZ 3.25Å; D718-K722 PolarHBondContact OD1-NZ 2.85Å; D718-K722 WeakPolarHBondContact OD2-CD 3.36Å; D718-K722 VanDerWaalsContact OD2-CE 3.25Å; D718-K722 WeakPolarHBondContact OD2-CE 3.48Å; D718-K722 IonicContact OD2-NZ 3.85Å; D718-K722 PolarHBondContact OD2-NZ 2.76Å; I719-K722 CarbonylContact O-C 3.55Å; I719-K722 WeakPolarHBondContact O-CB 3.38Å; I719-K722 PolarHBondContact O-N 3.35Å; L720-K722 PolarHBondContact O-N 3.34Å; K722-F724 PolarHBondContact O-N 3.19Å; K722-P774 VanDerWaalsContact C-CA 3.4Å; K722-P774 HydrophobicContact CB-CB 3.23Å; K722-P774 HydrophobicContact CB-CG 3.32Å; K722-P774 HydrophobicContact CD-CB 4.32Å; K722-P774 HydrophobicContact CD-CG 3.49Å; K722-P774 VanDerWaalsContact CD-CG 3.49Å; K722-P774 HydrophobicContact CG-CB 3.45Å; K722-P774 VanDerWaalsContact CG-CB 3.45Å; K722-P774 HydrophobicContact CG-CG 3.16Å; K722-P774 CarbonylContact O-C 3.6Å; K722-P774 WeakPolarHBondContact O-CA 3.2Å; K722-P774 VanDerWaalsContact O-CB 3.31Å; K722-P774 WeakPolarHBondContact O-CB 3.3Å; K722-V775 CarbonylContact O-C 3.56Å; K722-V775 WeakPolarHBondContact O-CA 3.05Å; K722-V775 WeakPolarHBondContact O-CB 3.28Å; K722-V775 PolarHBondContact O-N 3.29Å; K722-N776 PolarHBondContact O-N 3.4Å
723	M	44.4	Very low	58.2	Low	75 Å²	75	53.6 Å²	53.6	37%	0.369	26%	0.261	S	S	.	.	H	α-helix	trans	-81.6	-5.7	-172.5	-70.2	-175.2	-45.9	0	0	115.8	I719 L720 V775	I719-M723 HydrophobicContact CB-CE 4.47Å; I719-M723 HydrophobicContact CG2-CE 3.22Å; I719-M723 HydrophobicContact CG2-CG 4Å; I719-M723 HydrophobicContact CG2-SD 3.6Å; I719-M723 VanDerWaalsContact CG2-SD 3.6Å; I719-M723 WeakPolarHBondContact O-CA 3.49Å; I719-M723 WeakPolarHBondContact O-CB 3.12Å; I719-M723 WeakPolarHBondContact O-CG 3.42Å; I719-M723 PolarHBondContact O-N 2.86Å; L720-M723 HydrophobicContact CD2-CE 4.11Å; L720-M723 CarbonylContact O-C 3.5Å; L720-M723 PolarHBondContact O-N 3.47Å; M723-V775 VanDerWaalsContact C-CG2 3.46Å; M723-V775 WeakPolarHBondContact O-CB 3.12Å; M723-V775 WeakPolarHBondContact O-CG2 3.46Å
724	F	49.1	Very low	57.9	Low	16 Å²	16	54.3 Å²	54.3	7%	0.07	27%	0.265	C	S	.	.	S	Bend	trans	-146.4	147.7	-177.7	-57.3	-73.5	0	0	0	110.7	L720 K722 A726 T728 L732 L746 V751 V752 N776	L720-F724 HydrophobicContact CB-CD2 4.25Å; L720-F724 HydrophobicContact CD2-CD2 3.56Å; L720-F724 HydrophobicContact CD2-CE2 3.37Å; L720-F724 WeakPolarHBondContact O-CA 3.25Å; L720-F724 VanDerWaalsContact O-CB 3.25Å; L720-F724 WeakPolarHBondContact O-CB 3.41Å; L720-F724 WeakPolarHBondContact O-CD2 3.38Å; L720-F724 PolarHBondContact O-N 3.18Å; K722-F724 PolarHBondContact O-N 3.19Å; F724-A726 PolarHBondContact O-N 2.97Å; F724-T728 HydrophobicContact CB-CG2 3.84Å; F724-T728 HydrophobicContact CD1-CG2 4.39Å; F724-T728 HydrophobicContact CG-CG2 4.28Å; F724-L732 HydrophobicContact CD2-CD1 3.66Å; F724-L732 HydrophobicContact CE2-CD1 4.04Å; F724-L732 HydrophobicContact CG-CD1 4.02Å; F724-L746 HydrophobicContact CD1-CD2 3.38Å; F724-L746 HydrophobicContact CD2-CD2 4.36Å; F724-L746 HydrophobicContact CE1-CD2 3.21Å; F724-L746 HydrophobicContact CE2-CD2 4.19Å; F724-L746 HydrophobicContact CG-CD2 3.99Å; F724-L746 HydrophobicContact CZ-CD1 4.38Å; F724-L746 HydrophobicContact CZ-CD2 3.66Å; F724-V751 HydrophobicContact CD1-CB 4.02Å; F724-V751 HydrophobicContact CD1-CG1 3.67Å; F724-V751 HydrophobicContact CE1-CB 4.46Å; F724-V751 HydrophobicContact CE1-CG1 4.3Å; F724-V752 HydrophobicContact CE1-CG2 3.86Å; F724-V752 HydrophobicContact CZ-CG2 4.34Å; F724-N776 PolarHBondContact O-OD1 2.67Å
725	P	57.4	Low	57.1	Low	15 Å²	15	56.5 Å²	56.5	10%	0.097	28%	0.284	C	S	.	.			trans	-39.6	137.5	172.1	-29.1	30.9	0	0	0	112	E727 T728 A729 V751 N776 L779	P725-E727 CarbonylContact O-C 3.44Å; P725-E727 PolarHBondContact O-N 3.09Å; P725-T728 CarbonylContact O-C 3.5Å; P725-T728 VanDerWaalsContact O-CA 3.27Å; P725-T728 WeakPolarHBondContact O-CA 3.5Å; P725-T728 VanDerWaalsContact O-CB 3.25Å; P725-T728 WeakPolarHBondContact O-CB 3.17Å; P725-T728 PolarHBondContact O-N 2.85Å; P725-A729 PolarHBondContact O-N 3.25Å; P725-V751 HydrophobicContact CG-CG1 4.44Å; P725-V751 HydrophobicContact CG-CG2 4.19Å; P725-N776 WeakPolarHBondContact CA-OD1 3.4Å; P725-L779 HydrophobicContact CB-CD1 3.58Å; P725-L779 HydrophobicContact CG-CD1 3.7Å; P725-L779 HydrophobicContact CG-CD2 4.16Å; P725-L779 HydrophobicContact CG-CG 4.33Å
726	A	59.2	Low	56.4	Low	47 Å²	47	56.8 Å²	56.8	39%	0.388	30%	0.296	S	S	.	.	H	α-helix	trans	-50.5	-37.2	-176.5	0	0	0	0	0	113	F724 Q730 N776	F724-A726 PolarHBondContact O-N 2.97Å; A726-Q730 VanDerWaalsContact O-CB 3.27Å; A726-Q730 WeakPolarHBondContact O-CB 3.11Å; A726-Q730 VanDerWaalsContact O-CG 3.27Å; A726-Q730 WeakPolarHBondContact O-CG 3.49Å; A726-Q730 PolarHBondContact O-N 3.36Å; A726-N776 PolarHBondContact N-OD1 3.28Å
727	E	59.5	Low	56.1	Low	124 Å²	124	57.6 Å²	57.6	58%	0.579	31%	0.31	S	S	*	.	H	α-helix	trans	-65.8	-38.8	173.5	-164	-167	162.2	0	0	112.8	P725 K731	P725-E727 CarbonylContact O-C 3.44Å; P725-E727 PolarHBondContact O-N 3.09Å; E727-K731 WeakPolarHBondContact O-CB 3.11Å; E727-K731 VanDerWaalsContact O-CG 3.26Å; E727-K731 WeakPolarHBondContact O-CG 3.47Å; E727-K731 PolarHBondContact O-N 3.16Å; E727-K731 VanDerWaalsContact OE1-CE 3.3Å; E727-K731 WeakPolarHBondContact OE1-CE 3.36Å; E727-K731 IonicContact OE1-NZ 2.63Å; E727-K731 PolarHBondContact OE1-NZ 3.02Å
728	T	55.2	Low	55.7	Low	4 Å²	4	56.8 Å²	56.8	3%	0.025	32%	0.315	C	S	.	.	H	α-helix	trans	-70.6	-46	176.3	-54.9	0	0	0	0	111	F724 P725 Q730 K731 L732 L746 L749	F724-T728 HydrophobicContact CB-CG2 3.84Å; F724-T728 HydrophobicContact CD1-CG2 4.39Å; F724-T728 HydrophobicContact CG-CG2 4.28Å; P725-T728 CarbonylContact O-C 3.5Å; P725-T728 VanDerWaalsContact O-CA 3.27Å; P725-T728 WeakPolarHBondContact O-CA 3.5Å; P725-T728 VanDerWaalsContact O-CB 3.25Å; P725-T728 WeakPolarHBondContact O-CB 3.17Å; P725-T728 PolarHBondContact O-N 2.85Å; T728-Q730 VanDerWaalsContact C-N 3.35Å; T728-K731 PolarHBondContact O-N 3.23Å; T728-L732 HydrophobicContact CG2-CD1 4.13Å; T728-L732 HydrophobicContact CG2-CG 4.42Å; T728-L732 WeakPolarHBondContact O-CB 3.41Å; T728-L732 VanDerWaalsContact O-CG 3.23Å; T728-L732 WeakPolarHBondContact O-CG 3.28Å; T728-L732 PolarHBondContact O-N 3.42Å; T728-L746 HydrophobicContact CG2-CD2 3.96Å; T728-L749 HydrophobicContact CG2-CD1 3.83Å; T728-L749 WeakPolarHBondContact OG1-CD1 3.39Å
729	A	60.5	Low	55.4	Low	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-59.7	-46.3	174.5	0	0	0	0	0	110.7	L720 E721 P725 K731 L732 M733	L720-A729 HydrophobicContact CB-CB 4.39Å; L720-A729 WeakPolarHBondContact O-CB 3.23Å; E721-A729 HydrophobicContact CB-CB 4.1Å; E721-A729 HydrophobicContact CG-CB 3.55Å; P725-A729 PolarHBondContact O-N 3.25Å; A729-K731 PolarHBondContact O-N 2.6Å; A729-L732 CarbonylContact O-C 3.6Å; A729-L732 WeakPolarHBondContact O-CB 3.38Å; A729-L732 PolarHBondContact O-N 2.92Å; A729-M733 WeakPolarHBondContact O-CB 3.01Å; A729-M733 WeakPolarHBondContact O-CG 3.45Å; A729-M733 PolarHBondContact O-N 2.82Å
730	Q	63.6	Low	55.3	Low	113 Å²	113	62.5 Å²	62.5	53%	0.528	34%	0.338	S	S	.	.	H	α-helix	trans	-60.3	-44.1	173.2	-78.3	-178	6.5	0	0	112.2	A726 T728 L732 M733 Q734	A726-Q730 VanDerWaalsContact O-CB 3.27Å; A726-Q730 WeakPolarHBondContact O-CB 3.11Å; A726-Q730 VanDerWaalsContact O-CG 3.27Å; A726-Q730 WeakPolarHBondContact O-CG 3.49Å; A726-Q730 PolarHBondContact O-N 3.36Å; T728-Q730 VanDerWaalsContact C-N 3.35Å; Q730-L732 VanDerWaalsContact C-N 3.34Å; Q730-L732 PolarHBondContact O-N 3.37Å; Q730-M733 CarbonylContact O-C 3.49Å; Q730-M733 PolarHBondContact O-N 2.86Å; Q730-M733 VanDerWaalsContact O-N 3.09Å; Q730-Q734 WeakPolarHBondContact O-CG 3.2Å; Q730-Q734 PolarHBondContact O-N 3.24Å
731	K	59.8	Low	55.2	Low	74 Å²	74	66.3 Å²	66.3	32%	0.322	36%	0.355	S	S	.	.	H	α-helix	trans	-62.8	-38.3	174.8	-77.6	173.3	-173.4	168.1	0	112.6	E727 T728 A729 M733 V745	E727-K731 WeakPolarHBondContact O-CB 3.11Å; E727-K731 VanDerWaalsContact O-CG 3.26Å; E727-K731 WeakPolarHBondContact O-CG 3.47Å; E727-K731 PolarHBondContact O-N 3.16Å; E727-K731 VanDerWaalsContact OE1-CE 3.3Å; E727-K731 WeakPolarHBondContact OE1-CE 3.36Å; E727-K731 IonicContact OE1-NZ 2.63Å; E727-K731 PolarHBondContact OE1-NZ 3.02Å; T728-K731 PolarHBondContact O-N 3.23Å; A729-K731 PolarHBondContact O-N 2.6Å; K731-M733 VanDerWaalsContact C-N 3.26Å; K731-M733 PolarHBondContact O-N 3.03Å; K731-V745 HydrophobicContact CB-CG1 4.29Å; K731-V745 HydrophobicContact CD-CG1 4.08Å
732	L	54.3	Low	55.1	Low	19 Å²	19	65.4 Å²	65.4	10%	0.099	35%	0.35	C	S	.	.	H	α-helix	trans	-66.7	-29.8	172.8	-74.9	174	0	0	0	112.2	L720 F724 T728 A729 Q730 K742 L746	L720-L732 HydrophobicContact CD1-CB 4.25Å; L720-L732 HydrophobicContact CD2-CD1 4.02Å; F724-L732 HydrophobicContact CD2-CD1 3.66Å; F724-L732 HydrophobicContact CE2-CD1 4.04Å; F724-L732 HydrophobicContact CG-CD1 4.02Å; T728-L732 HydrophobicContact CG2-CD1 4.13Å; T728-L732 HydrophobicContact CG2-CG 4.42Å; T728-L732 WeakPolarHBondContact O-CB 3.41Å; T728-L732 VanDerWaalsContact O-CG 3.23Å; T728-L732 WeakPolarHBondContact O-CG 3.28Å; T728-L732 PolarHBondContact O-N 3.42Å; A729-L732 CarbonylContact O-C 3.6Å; A729-L732 WeakPolarHBondContact O-CB 3.38Å; A729-L732 PolarHBondContact O-N 2.92Å; Q730-L732 VanDerWaalsContact C-N 3.34Å; Q730-L732 PolarHBondContact O-N 3.37Å; L732-K742 HydrophobicContact CD2-CB 3.88Å; L732-K742 WeakPolarHBondContact CD2-O 3.41Å; L732-K742 VanDerWaalsContact O-CD 3.23Å; L732-K742 WeakPolarHBondContact O-CD 3.3Å; L732-K742 WeakPolarHBondContact O-CE 3.1Å; L732-K742 PolarHBondContact O-NZ 3.12Å; L732-L746 HydrophobicContact CD1-CD1 4.05Å; L732-L746 HydrophobicContact CD1-CD2 3.64Å; L732-L746 HydrophobicContact CD1-CG 3.93Å; L732-L746 HydrophobicContact CD2-CD1 3.77Å; L732-L746 HydrophobicContact CD2-CD2 4.41Å; L732-L746 HydrophobicContact CD2-CG 3.76Å; L732-L746 HydrophobicContact CG-CD2 4.4Å; L732-L746 HydrophobicContact CG-CG 4.27Å
733	M	59.5	Low	55.4	Low	33 Å²	33	62.6 Å²	62.6	16%	0.163	34%	0.338	C	S	.	.	H	α-helix	trans	-93.1	-17.1	-177.9	-69.7	-63.9	-56.7	0	0	113.8	E713 K717 L720 A729 Q730 K731	E713-M733 HydrophobicContact CG-CE 3.48Å; E713-M733 VanDerWaalsContact CG-CE 3.48Å; K717-M733 HydrophobicContact CB-CE 3.59Å; K717-M733 HydrophobicContact CB-CG 4.31Å; K717-M733 HydrophobicContact CB-SD 3.93Å; K717-M733 HydrophobicContact CD-CE 4.11Å; K717-M733 HydrophobicContact CG-CE 4.03Å; K717-M733 HydrophobicContact CG-CG 4.1Å; K717-M733 HydrophobicContact CG-SD 4.37Å; L720-M733 HydrophobicContact CD1-CG 4.25Å; L720-M733 HydrophobicContact CD1-SD 3.71Å; A729-M733 WeakPolarHBondContact O-CB 3.01Å; A729-M733 WeakPolarHBondContact O-CG 3.45Å; A729-M733 PolarHBondContact O-N 2.82Å; Q730-M733 CarbonylContact O-C 3.49Å; Q730-M733 PolarHBondContact O-N 2.86Å; Q730-M733 VanDerWaalsContact O-N 3.09Å; K731-M733 VanDerWaalsContact C-N 3.26Å; K731-M733 PolarHBondContact O-N 3.03Å
734	Q	58.6	Low	55.9	Low	95 Å²	95	62.8 Å²	62.8	44%	0.444	34%	0.34	S	S	.	.			trans	-55.4	130.3	-178.9	-89.1	174.5	10.8	0	0	110.8	Q730 T736 K742	Q730-Q734 WeakPolarHBondContact O-CG 3.2Å; Q730-Q734 PolarHBondContact O-N 3.24Å; Q734-T736 PolarHBondContact O-N 2.95Å; Q734-T736 VanDerWaalsContact O-N 3.08Å; Q734-K742 WeakPolarHBondContact O-CE 3.12Å; Q734-K742 PolarHBondContact O-NZ 3.36Å
735	P	47.7	Very low	56.4	Low	127 Å²	127	63.8 Å²	63.8	83%	0.825	35%	0.348	S	S	*	.	S	Bend	trans	-66.2	-14.9	-173	23.8	-32	0	0	0	113.2
736	T	48.8	Very low	56.2	Low	104 Å²	104	63.7 Å²	63.7	64%	0.638	35%	0.346	S	S	*	.	S	Bend	trans	-96.1	138.9	179.7	46.6	0	0	0	0	111.4	Q734	Q734-T736 PolarHBondContact O-N 2.95Å; Q734-T736 VanDerWaalsContact O-N 3.08Å
737	G	52.8	Low	56.1	Low	45 Å²	45	66 Å²	66	46%	0.464	35%	0.349	S	S	.	.	S	Bend	trans	105.7	141.4	178.1	0	0	0	0	0	113.8	E741	G737-E741 WeakPolarHBondContact CA-OE2 3.43Å
738	S	55.5	Low	56.2	Low	60 Å²	60	68.3 Å²	68.3	42%	0.42	36%	0.357	S	S	.	.			trans	-62.7	151.7	173.2	66.6	0	0	0	0	110.5	K740 E741 K742	S738-K740 PolarHBondContact O-N 2.79Å; S738-E741 PolarHBondContact N-OE2 2.79Å; S738-E741 PolarHBondContact O-N 3.01Å; S738-E741 PolarHBondContact OG-N 3.17Å; S738-E741 PolarHBondContact OG-OE2 2.93Å; S738-K742 PolarHBondContact O-N 2.84Å
739	I	55.4	Low	56.4	Low	54 Å²	54	71.6 Å²	71.6	28%	0.277	37%	0.374	S	S	.	.	H	α-helix	trans	-49.4	-33.2	170.9	-74.8	167.9	0	0	0	110.9	L595 K742 L743	L595-I739 HydrophobicContact CB-CD1 4.49Å; L595-I739 HydrophobicContact CD1-CD1 4.26Å; L595-I739 HydrophobicContact CD1-CG2 4.38Å; I739-K742 PolarHBondContact O-N 3.33Å; I739-L743 HydrophobicContact CG2-CD1 3.56Å; I739-L743 HydrophobicContact CG2-CG 4.17Å; I739-L743 WeakPolarHBondContact O-CB 3.48Å; I739-L743 WeakPolarHBondContact O-CD1 3.15Å; I739-L743 VanDerWaalsContact O-CG 3.25Å; I739-L743 WeakPolarHBondContact O-CG 3.45Å; I739-L743 PolarHBondContact O-N 2.84Å
740	K	52.2	Low	56.6	Low	151 Å²	151	75.3 Å²	75.3	66%	0.657	39%	0.394	S	S	*	.	H	α-helix	trans	-60.8	-42.9	176.2	-163.5	177.1	-178.4	-179.9	0	112.8	S738 L744	S738-K740 PolarHBondContact O-N 2.79Å; K740-L744 PolarHBondContact O-N 3.41Å; K740-L744 VanDerWaalsContact O-N 3.07Å
741	E	56	Low	56.3	Low	112 Å²	112	70.1 Å²	70.1	52%	0.523	37%	0.37	S	S	.	.	H	α-helix	trans	-68.1	-41.1	177.2	-73.5	162.9	141.2	0	0	111.6	G737 S738 L743 L744 V745	G737-E741 WeakPolarHBondContact CA-OE2 3.43Å; S738-E741 PolarHBondContact N-OE2 2.79Å; S738-E741 PolarHBondContact O-N 3.01Å; S738-E741 PolarHBondContact OG-N 3.17Å; S738-E741 PolarHBondContact OG-OE2 2.93Å; E741-L743 PolarHBondContact O-N 3.34Å; E741-L744 WeakPolarHBondContact O-CB 3.5Å; E741-L744 PolarHBondContact O-N 2.86Å; E741-V745 PolarHBondContact O-N 2.76Å
742	K	57.5	Low	56.2	Low	35 Å²	35	67.6 Å²	67.6	15%	0.152	36%	0.361	C	S	.	.	H	α-helix	trans	-63.4	-40.3	176.3	-69.4	176.6	168.6	-161.4	0	112.3	L732 Q734 S738 I739 L744 V745 L746	L732-K742 HydrophobicContact CD2-CB 3.88Å; L732-K742 WeakPolarHBondContact CD2-O 3.41Å; L732-K742 VanDerWaalsContact O-CD 3.23Å; L732-K742 WeakPolarHBondContact O-CD 3.3Å; L732-K742 WeakPolarHBondContact O-CE 3.1Å; L732-K742 PolarHBondContact O-NZ 3.12Å; Q734-K742 WeakPolarHBondContact O-CE 3.12Å; Q734-K742 PolarHBondContact O-NZ 3.36Å; S738-K742 PolarHBondContact O-N 2.84Å; I739-K742 PolarHBondContact O-N 3.33Å; K742-L744 VanDerWaalsContact C-N 3.35Å; K742-V745 WeakPolarHBondContact O-CB 3.45Å; K742-V745 PolarHBondContact O-N 3.01Å; K742-L746 PolarHBondContact O-N 3.47Å
743	L	55.5	Low	56.7	Low	11 Å²	11	73.2 Å²	73.2	6%	0.058	38%	0.381	C	S	.	.	H	α-helix	trans	-67.4	-34.5	175	-75.1	166.5	0	0	0	113	T661 L663 V685 I739 E741 V745 L746 Q747	T661-L743 HydrophobicContact CG2-CB 4.33Å; L663-L743 HydrophobicContact CD2-CD2 4.16Å; V685-L743 HydrophobicContact CB-CD1 4.09Å; V685-L743 HydrophobicContact CB-CD2 3.73Å; V685-L743 HydrophobicContact CG1-CD1 3.74Å; V685-L743 HydrophobicContact CG1-CD2 3.8Å; V685-L743 HydrophobicContact CG1-CG 4.39Å; V685-L743 HydrophobicContact CG2-CD2 3.5Å; V685-L743 VanDerWaalsContact CG2-CD2 3.5Å; I739-L743 HydrophobicContact CG2-CD1 3.56Å; I739-L743 HydrophobicContact CG2-CG 4.17Å; I739-L743 WeakPolarHBondContact O-CB 3.48Å; I739-L743 WeakPolarHBondContact O-CD1 3.15Å; I739-L743 VanDerWaalsContact O-CG 3.25Å; I739-L743 WeakPolarHBondContact O-CG 3.45Å; I739-L743 PolarHBondContact O-N 2.84Å; E741-L743 PolarHBondContact O-N 3.34Å; L743-V745 VanDerWaalsContact C-N 3.28Å; L743-V745 PolarHBondContact O-N 2.87Å; L743-L746 HydrophobicContact CD2-CD1 4.32Å; L743-L746 WeakPolarHBondContact O-CB 3.25Å; L743-L746 PolarHBondContact O-N 2.76Å; L743-Q747 PolarHBondContact O-N 3.47Å
744	L	56.6	Low	56.8	Low	79 Å²	79	75.7 Å²	75.7	41%	0.414	39%	0.392	S	S	.	.	H	α-helix	trans	-62.9	-33.8	172.9	-103.9	143.6	0	0	0	112.2	K740 E741 K742 K748	K740-L744 PolarHBondContact O-N 3.41Å; K740-L744 VanDerWaalsContact O-N 3.07Å; E741-L744 WeakPolarHBondContact O-CB 3.5Å; E741-L744 PolarHBondContact O-N 2.86Å; K742-L744 VanDerWaalsContact C-N 3.35Å; L744-K748 WeakPolarHBondContact O-CB 3.3Å; L744-K748 VanDerWaalsContact O-CG 3.31Å; L744-K748 WeakPolarHBondContact O-CG 3.44Å; L744-K748 PolarHBondContact O-N 3.48Å
745	V	58.5	Low	56.8	Low	38 Å²	38	72.8 Å²	72.8	23%	0.23	38%	0.381	C	S	.	.	H	α-helix	trans	-65.5	-46.6	173.4	176.6	0	0	0	0	110.8	K731 E741 K742 L743 Q747 K748 L749	K731-V745 HydrophobicContact CB-CG1 4.29Å; K731-V745 HydrophobicContact CD-CG1 4.08Å; E741-V745 PolarHBondContact O-N 2.76Å; K742-V745 WeakPolarHBondContact O-CB 3.45Å; K742-V745 PolarHBondContact O-N 3.01Å; L743-V745 VanDerWaalsContact C-N 3.28Å; L743-V745 PolarHBondContact O-N 2.87Å; V745-Q747 VanDerWaalsContact C-N 3.32Å; V745-Q747 PolarHBondContact O-N 2.94Å; V745-K748 PolarHBondContact O-N 2.91Å; V745-L749 HydrophobicContact CG1-CD1 3.67Å; V745-L749 HydrophobicContact CG1-CG 4.36Å; V745-L749 WeakPolarHBondContact O-CG 3.17Å; V745-L749 PolarHBondContact O-N 3.2Å; V745-L749 VanDerWaalsContact O-N 3.07Å
746	L	52.6	Low	57.5	Low	13 Å²	13	67.8 Å²	67.8	7%	0.068	35%	0.346	C	S	.	.	H	α-helix	trans	-58	-43.4	176.1	-78.3	174.5	0	0	0	112.7	L663 F724 T728 L732 K742 L743 N750	L663-L746 HydrophobicContact CD2-CB 4.46Å; L663-L746 HydrophobicContact CD2-CD1 4.46Å; F724-L746 HydrophobicContact CD1-CD2 3.38Å; F724-L746 HydrophobicContact CD2-CD2 4.36Å; F724-L746 HydrophobicContact CE1-CD2 3.21Å; F724-L746 HydrophobicContact CE2-CD2 4.19Å; F724-L746 HydrophobicContact CG-CD2 3.99Å; F724-L746 HydrophobicContact CZ-CD1 4.38Å; F724-L746 HydrophobicContact CZ-CD2 3.66Å; T728-L746 HydrophobicContact CG2-CD2 3.96Å; L732-L746 HydrophobicContact CD1-CD1 4.05Å; L732-L746 HydrophobicContact CD1-CD2 3.64Å; L732-L746 HydrophobicContact CD1-CG 3.93Å; L732-L746 HydrophobicContact CD2-CD1 3.77Å; L732-L746 HydrophobicContact CD2-CD2 4.41Å; L732-L746 HydrophobicContact CD2-CG 3.76Å; L732-L746 HydrophobicContact CG-CD2 4.4Å; L732-L746 HydrophobicContact CG-CG 4.27Å; K742-L746 PolarHBondContact O-N 3.47Å; L743-L746 HydrophobicContact CD2-CD1 4.32Å; L743-L746 WeakPolarHBondContact O-CB 3.25Å; L743-L746 PolarHBondContact O-N 2.76Å; L746-N750 PolarHBondContact O-N 3.1Å
747	Q	57.8	Low	58.3	Low	95 Å²	95	66 Å²	66	44%	0.444	33%	0.333	S	S	.	.	H	α-helix	trans	-66.1	-43.5	177.2	-75.9	-172.1	-35	0	0	112.3	T661 K662 L743 V745 L749 N750	T661-Q747 HydrophobicContact CG2-CG 4.25Å; K662-Q747 PolarHBondContact O-NE2 2.93Å; L743-Q747 PolarHBondContact O-N 3.47Å; V745-Q747 VanDerWaalsContact C-N 3.32Å; V745-Q747 PolarHBondContact O-N 2.94Å; Q747-L749 VanDerWaalsContact C-N 3.31Å; Q747-L749 PolarHBondContact O-N 3.01Å; Q747-N750 PolarHBondContact O-N 2.93Å
748	K	62.1	Low	58.7	Low	172 Å²	172	64.4 Å²	64.4	75%	0.748	31%	0.314	S	S	*	.	H	α-helix	trans	-64.5	-34	-179.5	-80.4	-179.2	178.1	-175.6	0	113.3	L744 V745 N750	L744-K748 WeakPolarHBondContact O-CB 3.3Å; L744-K748 VanDerWaalsContact O-CG 3.31Å; L744-K748 WeakPolarHBondContact O-CG 3.44Å; L744-K748 PolarHBondContact O-N 3.48Å; V745-K748 PolarHBondContact O-N 2.91Å; K748-N750 VanDerWaalsContact C-N 3.35Å
749	L	59.5	Low	59	Low	73 Å²	73	62.6 Å²	62.6	38%	0.382	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-5.7	-176.3	-64.8	174.7	0	0	0	113.5	T728 V745 Q747 V751	T728-L749 HydrophobicContact CG2-CD1 3.83Å; T728-L749 WeakPolarHBondContact OG1-CD1 3.39Å; V745-L749 HydrophobicContact CG1-CD1 3.67Å; V745-L749 HydrophobicContact CG1-CG 4.36Å; V745-L749 WeakPolarHBondContact O-CG 3.17Å; V745-L749 PolarHBondContact O-N 3.2Å; V745-L749 VanDerWaalsContact O-N 3.07Å; Q747-L749 VanDerWaalsContact C-N 3.31Å; Q747-L749 PolarHBondContact O-N 3.01Å; L749-V751 HydrophobicContact CB-CG2 3.54Å; L749-V751 PolarHBondContact O-N 3.38Å
750	N	64.7	Low	59.4	Low	79 Å²	79	61 Å²	61	42%	0.422	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	19.1	179.1	-157.5	35.5	0	0	0	114.2	L746 Q747 K748 V752 R753 Q754	L746-N750 PolarHBondContact O-N 3.1Å; Q747-N750 PolarHBondContact O-N 2.93Å; K748-N750 VanDerWaalsContact C-N 3.35Å; N750-V752 PolarHBondContact O-N 3.4Å; N750-R753 WeakPolarHBondContact O-CB 3.29Å; N750-R753 PolarHBondContact O-N 3.07Å; N750-R753 VanDerWaalsContact OD1-CB 3.3Å; N750-R753 WeakPolarHBondContact OD1-CB 3.41Å; N750-Q754 PolarHBondContact O-N 3.17Å
751	V	55.8	Low	60	Low	3 Å²	3	54.9 Å²	54.9	2%	0.018	27%	0.268	C	S	.	.	H	α-helix	trans	-63.6	-44.8	-169.4	-177.1	0	0	0	0	111.2	F724 P725 L749 R753 Q754 T755 V775	F724-V751 HydrophobicContact CD1-CB 4.02Å; F724-V751 HydrophobicContact CD1-CG1 3.67Å; F724-V751 HydrophobicContact CE1-CB 4.46Å; F724-V751 HydrophobicContact CE1-CG1 4.3Å; P725-V751 HydrophobicContact CG-CG1 4.44Å; P725-V751 HydrophobicContact CG-CG2 4.19Å; L749-V751 HydrophobicContact CB-CG2 3.54Å; L749-V751 PolarHBondContact O-N 3.38Å; V751-R753 PolarHBondContact O-N 2.84Å; V751-Q754 PolarHBondContact O-N 2.91Å; V751-T755 PolarHBondContact O-N 2.88Å; V751-T755 PolarHBondContact O-OG1 2.77Å; V751-V775 HydrophobicContact CG1-CG1 3.97Å
752	V	58	Low	60.2	Low	21 Å²	21	49.6 Å²	49.6	13%	0.127	24%	0.244	C	C	.	.	H	α-helix	trans	-57	-38.8	-180	-176.4	0	0	0	0	111	L663 F724 N750 I756	L663-V752 HydrophobicContact CB-CG1 4.35Å; L663-V752 HydrophobicContact CB-CG2 4.33Å; F724-V752 HydrophobicContact CE1-CG2 3.86Å; F724-V752 HydrophobicContact CZ-CG2 4.34Å; N750-V752 PolarHBondContact O-N 3.4Å; V752-I756 HydrophobicContact CG1-CD1 3.97Å; V752-I756 WeakPolarHBondContact O-CD1 3.26Å; V752-I756 VanDerWaalsContact O-CG1 3.29Å; V752-I756 WeakPolarHBondContact O-CG1 3.32Å; V752-I756 PolarHBondContact O-N 3.47Å; V752-I756 VanDerWaalsContact O-N 3.13Å
753	R	65.1	Low	60.3	Low	138 Å²	138	48.1 Å²	48.1	52%	0.521	24%	0.238	S	C	.	.	H	α-helix	trans	-69.5	-47.1	175.7	-179.7	169.6	-179.3	172	3.2	111.3	Y664 N750 V751 T755 I756 D757	Y664-R753 HydrophobicContact CD2-CB 4.49Å; N750-R753 WeakPolarHBondContact O-CB 3.29Å; N750-R753 PolarHBondContact O-N 3.07Å; N750-R753 VanDerWaalsContact OD1-CB 3.3Å; N750-R753 WeakPolarHBondContact OD1-CB 3.41Å; V751-R753 PolarHBondContact O-N 2.84Å; R753-T755 VanDerWaalsContact C-N 3.3Å; R753-T755 PolarHBondContact O-N 2.84Å; R753-I756 PolarHBondContact O-N 2.84Å; R753-D757 VanDerWaalsContact CG-OD2 3.29Å; R753-D757 WeakPolarHBondContact CG-OD2 3.22Å; R753-D757 IonicContact NE-OD2 3.63Å; R753-D757 WeakPolarHBondContact O-CB 3.28Å; R753-D757 PolarHBondContact O-N 3.39Å
754	Q	62.3	Low	60.4	Low	85 Å²	85	49 Å²	49	40%	0.397	25%	0.246	S	C	.	.	H	α-helix	trans	-57.6	-41.9	176.6	-70.5	176.9	-8.6	0	0	112.3	N750 V751 D757 L758	N750-Q754 PolarHBondContact O-N 3.17Å; V751-Q754 PolarHBondContact O-N 2.91Å; Q754-D757 PolarHBondContact O-N 3Å; Q754-L758 VanDerWaalsContact O-CB 3.27Å; Q754-L758 WeakPolarHBondContact O-CB 3.32Å; Q754-L758 PolarHBondContact O-N 2.8Å
755	T	58.8	Low	60.4	Low	34 Å²	34	47.4 Å²	47.4	21%	0.209	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-45.7	175.8	-54	0	0	0	0	111.9	V751 R753 L758 T759 V775	V751-T755 PolarHBondContact O-N 2.88Å; V751-T755 PolarHBondContact O-OG1 2.77Å; R753-T755 VanDerWaalsContact C-N 3.3Å; R753-T755 PolarHBondContact O-N 2.84Å; T755-L758 PolarHBondContact O-N 3.41Å; T755-T759 VanDerWaalsContact O-CB 3.28Å; T755-T759 WeakPolarHBondContact O-CB 3.48Å; T755-T759 PolarHBondContact O-N 2.88Å; T755-T759 PolarHBondContact O-OG1 2.87Å; T755-V775 HydrophobicContact CG2-CG2 3.33Å; T755-V775 WeakPolarHBondContact OG1-CG2 3.05Å
756	I	62.2	Low	60.5	Low	21 Å²	21	48.8 Å²	48.8	11%	0.108	24%	0.237	C	C	.	.	H	α-helix	trans	-71.7	-36.2	-179.8	-68.6	168.5	0	0	0	111	Y664 I668 L681 V752 R753 T759 N760	Y664-I756 HydrophobicContact CD1-CD1 3.47Å; Y664-I756 VanDerWaalsContact CD1-CD1 3.47Å; Y664-I756 HydrophobicContact CD2-CB 4.3Å; Y664-I756 HydrophobicContact CD2-CD1 3.45Å; Y664-I756 VanDerWaalsContact CD2-CD1 3.45Å; Y664-I756 HydrophobicContact CD2-CG1 4.44Å; Y664-I756 HydrophobicContact CD2-CG2 4.46Å; Y664-I756 HydrophobicContact CE1-CD1 3.82Å; Y664-I756 HydrophobicContact CE1-CG2 3.96Å; Y664-I756 HydrophobicContact CE2-CB 3.87Å; Y664-I756 HydrophobicContact CE2-CD1 3.79Å; Y664-I756 HydrophobicContact CE2-CG1 4.44Å; Y664-I756 HydrophobicContact CE2-CG2 3.68Å; Y664-I756 HydrophobicContact CG-CD1 3.28Å; Y664-I756 WeakPolarHBondContact OH-CG2 3.04Å; I668-I756 HydrophobicContact CG2-CG2 3.7Å; L681-I756 HydrophobicContact CD2-CD1 4.36Å; V752-I756 HydrophobicContact CG1-CD1 3.97Å; V752-I756 WeakPolarHBondContact O-CD1 3.26Å; V752-I756 VanDerWaalsContact O-CG1 3.29Å; V752-I756 WeakPolarHBondContact O-CG1 3.32Å; V752-I756 PolarHBondContact O-N 3.47Å; V752-I756 VanDerWaalsContact O-N 3.13Å; R753-I756 PolarHBondContact O-N 2.84Å; I756-T759 VanDerWaalsContact O-CB 3.32Å; I756-T759 WeakPolarHBondContact O-CB 3.1Å; I756-T759 PolarHBondContact O-N 3.19Å; I756-N760 WeakPolarHBondContact O-CB 3.49Å; I756-N760 PolarHBondContact O-N 3.32Å; I756-N760 PolarHBondContact O-ND2 2.78Å
757	D	65	Low	60.4	Low	66 Å²	66	49.6 Å²	49.6	35%	0.353	24%	0.243	S	C	.	.	H	α-helix	trans	-65.7	-42.2	175.3	-68.6	-16.9	0	0	0	110.3	R753 Q754 N760 C761	R753-D757 VanDerWaalsContact CG-OD2 3.29Å; R753-D757 WeakPolarHBondContact CG-OD2 3.22Å; R753-D757 IonicContact NE-OD2 3.63Å; R753-D757 WeakPolarHBondContact O-CB 3.28Å; R753-D757 PolarHBondContact O-N 3.39Å; Q754-D757 PolarHBondContact O-N 3Å; D757-N760 PolarHBondContact O-N 2.9Å; D757-C761 WeakPolarHBondContact O-CB 3.36Å; D757-C761 PolarHBondContact O-N 2.87Å
758	L	62.6	Low	59.9	Low	12 Å²	12	47.5 Å²	47.5	6%	0.063	23%	0.233	C	C	.	.	H	α-helix	trans	-65.2	-40.3	173	-178.3	66.4	0	0	0	112.2	Q754 T755 C761 A762 F778 I781 V782 F795	Q754-L758 VanDerWaalsContact O-CB 3.27Å; Q754-L758 WeakPolarHBondContact O-CB 3.32Å; Q754-L758 PolarHBondContact O-N 2.8Å; T755-L758 PolarHBondContact O-N 3.41Å; L758-C761 WeakPolarHBondContact O-CB 3.33Å; L758-C761 PolarHBondContact O-N 2.99Å; L758-A762 WeakPolarHBondContact O-CB 3.26Å; L758-A762 PolarHBondContact O-N 2.72Å; L758-F778 HydrophobicContact CD2-CB 3.76Å; L758-F778 HydrophobicContact CD2-CD1 3.44Å; L758-F778 VanDerWaalsContact CD2-CD1 3.44Å; L758-F778 HydrophobicContact CD2-CE1 4.2Å; L758-F778 HydrophobicContact CD2-CG 3.68Å; L758-I781 HydrophobicContact CD1-CB 4.34Å; L758-I781 HydrophobicContact CD1-CG2 3.51Å; L758-V782 HydrophobicContact CB-CG2 4.36Å; L758-V782 HydrophobicContact CD1-CG2 4.05Å; L758-F795 HydrophobicContact CD2-CD2 4.27Å; L758-F795 HydrophobicContact CG-CD2 4.35Å
759	T	61.8	Low	59.2	Low	22 Å²	22	40.4 Å²	40.4	14%	0.135	20%	0.204	C	C	.	.	H	α-helix	trans	-58	-49.1	173.3	-63.5	0	0	0	0	111.2	T755 I756 C761 A762 A763 M771	T755-T759 VanDerWaalsContact O-CB 3.28Å; T755-T759 WeakPolarHBondContact O-CB 3.48Å; T755-T759 PolarHBondContact O-N 2.88Å; T755-T759 PolarHBondContact O-OG1 2.87Å; I756-T759 VanDerWaalsContact O-CB 3.32Å; I756-T759 WeakPolarHBondContact O-CB 3.1Å; I756-T759 PolarHBondContact O-N 3.19Å; T759-C761 VanDerWaalsContact C-N 3.3Å; T759-C761 PolarHBondContact O-N 3.19Å; T759-A762 PolarHBondContact O-N 3.31Å; T759-A763 WeakPolarHBondContact O-CB 3.38Å; T759-A763 PolarHBondContact O-N 2.85Å; T759-M771 HydrophobicContact CG2-CB 4.14Å; T759-M771 HydrophobicContact CG2-CE 3.21Å; T759-M771 HydrophobicContact CG2-CG 3.59Å; T759-M771 HydrophobicContact CG2-SD 3.74Å; T759-M771 WeakPolarHBondContact OG1-CE 3.13Å
760	N	63.8	Low	58.3	Low	20 Å²	20	40.7 Å²	40.7	11%	0.107	21%	0.21	C	C	.	.	H	α-helix	trans	-63.9	-39.5	178.1	-70.4	-18.6	0	0	0	110.5	N667 I668 W669 I756 D757 A763 S764	N667-N760 PolarHBondContact O-ND2 2.93Å; I668-N760 WeakPolarHBondContact CA-OD1 3.38Å; W669-N760 PolarHBondContact N-OD1 3.46Å; I756-N760 WeakPolarHBondContact O-CB 3.49Å; I756-N760 PolarHBondContact O-N 3.32Å; I756-N760 PolarHBondContact O-ND2 2.78Å; D757-N760 PolarHBondContact O-N 2.9Å; N760-A763 PolarHBondContact O-N 3.28Å; N760-S764 WeakPolarHBondContact O-CB 3.35Å; N760-S764 PolarHBondContact O-N 3.27Å
761	C	63.4	Low	57.2	Low	23 Å²	23	40.4 Å²	40.4	16%	0.155	21%	0.207	C	C	.	.	H	α-helix	trans	-60.7	-53.1	174.7	176.5	0	0	0	0	111.5	D757 L758 T759 A763 S764 F765 C787	D757-C761 WeakPolarHBondContact O-CB 3.36Å; D757-C761 PolarHBondContact O-N 2.87Å; L758-C761 WeakPolarHBondContact O-CB 3.33Å; L758-C761 PolarHBondContact O-N 2.99Å; T759-C761 VanDerWaalsContact C-N 3.3Å; T759-C761 PolarHBondContact O-N 3.19Å; C761-A763 VanDerWaalsContact C-N 3.33Å; C761-A763 PolarHBondContact O-N 2.96Å; C761-S764 WeakPolarHBondContact O-CB 3.32Å; C761-S764 PolarHBondContact O-N 3.39Å; C761-S764 VanDerWaalsContact O-N 3.14Å; C761-S764 PolarHBondContact O-OG 2.89Å; C761-F765 VanDerWaalsContact O-CD2 3.25Å; C761-F765 WeakPolarHBondContact O-CD2 3.39Å; C761-F765 PolarHBondContact O-N 3.31Å; C761-C787 WeakPolarHBondContact CA-SG 3.05Å; C761-C787 HydrophobicContact CB-CB 4.06Å; C761-C787 WeakPolarHBondContact CB-SG 3.45Å; C761-C787 WeakPolarHBondContact SG-CA 2.84Å; C761-C787 WeakPolarHBondContact SG-CB 3.13Å; C761-C787 CovalentContact SG-SG 2.02Å; C761-C787 PolarHBondContact SG-SG 3.43Å
762	A	60.5	Low	56.4	Low	1 Å²	1	43.3 Å²	43.3	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-59.4	-44.1	176.3	0	0	0	0	0	112.4	L758 T759 S764 F765 Y766 F795	L758-A762 WeakPolarHBondContact O-CB 3.26Å; L758-A762 PolarHBondContact O-N 2.72Å; T759-A762 PolarHBondContact O-N 3.31Å; A762-S764 VanDerWaalsContact C-N 3.26Å; A762-S764 PolarHBondContact O-N 3.44Å; A762-F765 PolarHBondContact O-N 3.49Å; A762-Y766 WeakPolarHBondContact O-CB 3.29Å; A762-Y766 PolarHBondContact O-N 3.29Å; A762-F795 HydrophobicContact CB-CB 4.27Å; A762-F795 HydrophobicContact CB-CD1 3.15Å; A762-F795 HydrophobicContact CB-CD2 4.34Å; A762-F795 HydrophobicContact CB-CE1 3.51Å; A762-F795 HydrophobicContact CB-CG 3.68Å; A762-F795 HydrophobicContact CB-CZ 4.33Å
763	A	60.2	Low	55.5	Low	4 Å²	4	44.7 Å²	44.7	3%	0.033	24%	0.244	C	C	.	.	H	α-helix	trans	-71.1	-21.5	179.8	0	0	0	0	0	113.1	W669 T759 N760 C761 F765 Y766 P767	W669-A763 HydrophobicContact CB-CB 3.72Å; W669-A763 HydrophobicContact CD2-CB 4.48Å; W669-A763 HydrophobicContact CG-CB 3.56Å; T759-A763 WeakPolarHBondContact O-CB 3.38Å; T759-A763 PolarHBondContact O-N 2.85Å; N760-A763 PolarHBondContact O-N 3.28Å; C761-A763 VanDerWaalsContact C-N 3.33Å; C761-A763 PolarHBondContact O-N 2.96Å; A763-F765 VanDerWaalsContact C-N 3.3Å; A763-Y766 CarbonylContact O-C 3.58Å; A763-P767 WeakPolarHBondContact O-CA 3.42Å; A763-P767 WeakPolarHBondContact O-CB 3.39Å; A763-P767 WeakPolarHBondContact O-CD 3.29Å
764	S	57.1	Low	54.5	Low	31 Å²	31	38.6 Å²	38.6	22%	0.217	22%	0.222	C	C	.	.	H	α-helix	trans	-67.3	-33.5	172.2	76.9	0	0	0	0	112.2	N760 C761 A762	N760-S764 WeakPolarHBondContact O-CB 3.35Å; N760-S764 PolarHBondContact O-N 3.27Å; C761-S764 WeakPolarHBondContact O-CB 3.32Å; C761-S764 PolarHBondContact O-N 3.39Å; C761-S764 VanDerWaalsContact O-N 3.14Å; C761-S764 PolarHBondContact O-OG 2.89Å; A762-S764 VanDerWaalsContact C-N 3.26Å; A762-S764 PolarHBondContact O-N 3.44Å
765	F	56.8	Low	53.3	Low	45 Å²	45	35.1 Å²	35.1	20%	0.197	21%	0.207	C	C	.	.	H	α-helix	trans	-90.1	-29.2	175.1	-62.7	-65.3	0	0	0	112.7	E520 C761 A762 A763 C787 K789 A792	E520-F765 HydrophobicContact CG-CD1 3.79Å; E520-F765 HydrophobicContact CG-CE1 3.9Å; E520-F765 WeakPolarHBondContact OE1-CE1 3.33Å; C761-F765 VanDerWaalsContact O-CD2 3.25Å; C761-F765 WeakPolarHBondContact O-CD2 3.39Å; C761-F765 PolarHBondContact O-N 3.31Å; A762-F765 PolarHBondContact O-N 3.49Å; A763-F765 VanDerWaalsContact C-N 3.3Å; F765-C787 HydrophobicContact CE2-CB 4.22Å; F765-C787 WeakPolarHBondContact CE2-SG 2.89Å; F765-C787 HydrophobicContact CZ-CB 4.45Å; F765-C787 WeakPolarHBondContact CZ-O 3.29Å; F765-K789 HydrophobicContact CD1-CG 4.23Å; F765-K789 HydrophobicContact CE1-CB 4.01Å; F765-K789 HydrophobicContact CE1-CG 4.12Å; F765-K789 HydrophobicContact CE2-CB 4.28Å; F765-K789 HydrophobicContact CZ-CB 3.83Å; F765-K789 HydrophobicContact CZ-CG 4.39Å; F765-A792 HydrophobicContact CB-CB 4.32Å; F765-A792 HydrophobicContact CD2-CB 3.17Å; F765-A792 HydrophobicContact CE2-CB 3.65Å; F765-A792 HydrophobicContact CG-CB 4.07Å
766	Y	60.3	Low	52.3	Low	66 Å²	66	35.9 Å²	35.9	26%	0.259	21%	0.209	S	C	.	.			trans	-139.2	73.5	-174.4	-56.6	-86	0	0	0	110.6	A762 A763 F768 V769 A792 A793 V796	A762-Y766 WeakPolarHBondContact O-CB 3.29Å; A762-Y766 PolarHBondContact O-N 3.29Å; A763-Y766 CarbonylContact O-C 3.58Å; Y766-F768 PolarHBondContact O-N 3.23Å; Y766-V769 PolarHBondContact O-N 2.74Å; Y766-A792 HydrophobicContact CE2-CB 4.37Å; Y766-A793 HydrophobicContact CE2-CB 4.25Å; Y766-A793 VanDerWaalsContact OH-CA 3.26Å; Y766-A793 WeakPolarHBondContact OH-CA 3.23Å; Y766-A793 WeakPolarHBondContact OH-CB 3.11Å; Y766-V796 VanDerWaalsContact CB-CG2 3.41Å; Y766-V796 HydrophobicContact CD1-CB 4.05Å; Y766-V796 HydrophobicContact CD1-CG1 3.6Å; Y766-V796 HydrophobicContact CD1-CG2 4.05Å; Y766-V796 HydrophobicContact CD2-CB 3.68Å; Y766-V796 HydrophobicContact CD2-CG1 4.18Å; Y766-V796 HydrophobicContact CD2-CG2 3.09Å; Y766-V796 HydrophobicContact CE1-CB 4.24Å; Y766-V796 HydrophobicContact CE1-CG1 3.94Å; Y766-V796 HydrophobicContact CE2-CB 3.92Å; Y766-V796 HydrophobicContact CE2-CG1 4.5Å; Y766-V796 HydrophobicContact CE2-CG2 3.79Å; Y766-V796 HydrophobicContact CG-CB 3.74Å; Y766-V796 HydrophobicContact CG-CG1 3.71Å; Y766-V796 HydrophobicContact CG-CG2 3.25Å
767	P	50.3	Low	51.2	Low	31 Å²	31	40.4 Å²	40.4	20%	0.201	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	3	-169.5	14.1	-23.2	0	0	0	116.4	W669 A763	W669-P767 HydrophobicContact CZ2-CB 3.73Å; W669-P767 VanDerWaalsContact NE1-CB 3.29Å; A763-P767 WeakPolarHBondContact O-CA 3.42Å; A763-P767 WeakPolarHBondContact O-CB 3.39Å; A763-P767 WeakPolarHBondContact O-CD 3.29Å
768	F	47.9	Very low	50.1	Low	51 Å²	51	38.3 Å²	38.3	22%	0.224	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-1.1	-164.5	-58.2	-64.6	0	0	0	114.3	A505 W506 R515 Y766 P770	A505-F768 HydrophobicContact CB-CB 4.21Å; A505-F768 WeakPolarHBondContact O-CD1 3.2Å; A505-F768 WeakPolarHBondContact O-CE1 3.27Å; W506-F768 HydrophobicContact CD2-CE1 4.27Å; W506-F768 AromaticContact CD2-CE2 3.92Å; W506-F768 HydrophobicContact CD2-CE2 3.92Å; W506-F768 AromaticContact CD2-CZ 3.72Å; W506-F768 HydrophobicContact CD2-CZ 3.72Å; W506-F768 AromaticContact CE2-CE2 3.85Å; W506-F768 HydrophobicContact CE3-CE1 4.09Å; W506-F768 AromaticContact CE3-CE2 3.76Å; W506-F768 HydrophobicContact CE3-CE2 3.76Å; W506-F768 AromaticContact CE3-CZ 3.3Å; W506-F768 HydrophobicContact CE3-CZ 3.3Å; W506-F768 HydrophobicContact CG-CZ 4.45Å; W506-F768 HydrophobicContact CH2-CD2 4.48Å; W506-F768 AromaticContact CH2-CE2 3.45Å; W506-F768 HydrophobicContact CH2-CE2 3.45Å; W506-F768 VanDerWaalsContact CH2-CE2 3.45Å; W506-F768 AromaticContact CH2-CZ 3.85Å; W506-F768 HydrophobicContact CH2-CZ 3.85Å; W506-F768 HydrophobicContact CZ2-CD2 4.32Å; W506-F768 AromaticContact CZ2-CE2 3.66Å; W506-F768 HydrophobicContact CZ2-CE2 3.66Å; W506-F768 HydrophobicContact CZ2-CZ 4.25Å; W506-F768 HydrophobicContact CZ3-CE1 4.49Å; W506-F768 AromaticContact CZ3-CE2 3.49Å; W506-F768 HydrophobicContact CZ3-CE2 3.49Å; W506-F768 VanDerWaalsContact CZ3-CE2 3.49Å; W506-F768 AromaticContact CZ3-CZ 3.34Å; W506-F768 HydrophobicContact CZ3-CZ 3.34Å; R515-F768 HydrophobicContact CB-CZ 4.38Å; Y766-F768 PolarHBondContact O-N 3.23Å; F768-P770 VanDerWaalsContact O-CD 3.28Å; F768-P770 WeakPolarHBondContact O-CD 3.23Å
769	V	47.4	Very low	48.6	Very low	23 Å²	23	43.3 Å²	43.3	14%	0.139	25%	0.248	C	C	.	.			trans	-77	115.4	176.3	177	0	0	0	0	108.9	Y766 M771 F795 V796 V799	Y766-V769 PolarHBondContact O-N 2.74Å; V769-M771 WeakPolarHBondContact O-CG 3.3Å; V769-M771 PolarHBondContact O-N 3.44Å; V769-M771 VanDerWaalsContact O-N 3.11Å; V769-F795 HydrophobicContact CG1-CE1 4.38Å; V769-V796 HydrophobicContact CG2-CB 4.22Å; V769-V796 HydrophobicContact CG2-CG1 3.73Å; V769-V796 HydrophobicContact CG2-CG2 3.65Å; V769-V799 HydrophobicContact CG1-CB 3.5Å; V769-V799 VanDerWaalsContact CG1-CB 3.5Å; V769-V799 HydrophobicContact CG1-CG1 3.13Å; V769-V799 HydrophobicContact CG1-CG2 4.06Å
770	P	40.1	Very low	47.5	Very low	78 Å²	78	44.9 Å²	44.9	51%	0.506	27%	0.268	S	S	.	.			trans	-65.9	111.8	177.5	24.7	-29.5	0	0	0	109.4	F768 G772	F768-P770 VanDerWaalsContact O-CD 3.28Å; F768-P770 WeakPolarHBondContact O-CD 3.23Å; P770-G772 PolarHBondContact O-N 2.77Å
771	M	41.1	Very low	46.3	Very low	73 Å²	73	45.4 Å²	45.4	36%	0.36	27%	0.271	S	S	.	.			trans	-84.8	110.2	-173.1	-63.3	-75.5	-44.7	0	0	110.9	T759 V769 F795	T759-M771 HydrophobicContact CG2-CB 4.14Å; T759-M771 HydrophobicContact CG2-CE 3.21Å; T759-M771 HydrophobicContact CG2-CG 3.59Å; T759-M771 HydrophobicContact CG2-SD 3.74Å; T759-M771 WeakPolarHBondContact OG1-CE 3.13Å; V769-M771 WeakPolarHBondContact O-CG 3.3Å; V769-M771 PolarHBondContact O-N 3.44Å; V769-M771 VanDerWaalsContact O-N 3.11Å; M771-F795 HydrophobicContact CE-CE1 3.96Å; M771-F795 HydrophobicContact CE-CE2 4.2Å; M771-F795 HydrophobicContact CE-CZ 3.33Å; M771-F795 HydrophobicContact SD-CE1 3.55Å; M771-F795 VanDerWaalsContact SD-CE1 3.55Å; M771-F795 HydrophobicContact SD-CZ 3.57Å; M771-F795 VanDerWaalsContact SD-CZ 3.57Å
772	G	39.1	Very low	45.1	Very low	65 Å²	65	48.4 Å²	48.4	67%	0.67	29%	0.288	S	S	*	.			trans	-155.6	27.3	178.2	0	0	0	0	0	115.2	P770	P770-G772 PolarHBondContact O-N 2.77Å
773	L	39.2	Very low	43.8	Very low	50 Å²	50	53.4 Å²	53.4	26%	0.262	32%	0.319	S	S	.	.			trans	-138.7	166.5	-160.2	-76.8	179.5	0	0	0	115.7	V799 M802	L773-V799 HydrophobicContact CD1-CG1 4.31Å; L773-M802 HydrophobicContact CB-CE 4.22Å; L773-M802 HydrophobicContact CB-SD 4.2Å; L773-M802 HydrophobicContact CD1-CB 3.56Å; L773-M802 HydrophobicContact CD1-CE 3.82Å; L773-M802 HydrophobicContact CD1-CG 4.33Å; L773-M802 HydrophobicContact CD1-SD 3.86Å; L773-M802 HydrophobicContact CD2-CE 3.75Å; L773-M802 HydrophobicContact CG-CE 4.12Å; L773-M802 HydrophobicContact CG-SD 4.47Å
774	P	43.8	Very low	42.9	Very low	9 Å²	9	61.4 Å²	61.4	6%	0.058	36%	0.356	C	S	.	.			trans	-66.8	116.1	-158.4	-25.8	39.4	0	0	0	119.5	K722 N776 F778 M802	K722-P774 VanDerWaalsContact C-CA 3.4Å; K722-P774 HydrophobicContact CB-CB 3.23Å; K722-P774 HydrophobicContact CB-CG 3.32Å; K722-P774 HydrophobicContact CD-CB 4.32Å; K722-P774 HydrophobicContact CD-CG 3.49Å; K722-P774 VanDerWaalsContact CD-CG 3.49Å; K722-P774 HydrophobicContact CG-CB 3.45Å; K722-P774 VanDerWaalsContact CG-CB 3.45Å; K722-P774 HydrophobicContact CG-CG 3.16Å; K722-P774 CarbonylContact O-C 3.6Å; K722-P774 WeakPolarHBondContact O-CA 3.2Å; K722-P774 VanDerWaalsContact O-CB 3.31Å; K722-P774 WeakPolarHBondContact O-CB 3.3Å; P774-N776 VanDerWaalsContact C-N 3.31Å; P774-N776 PolarHBondContact O-N 3.05Å; P774-F778 WeakPolarHBondContact O-CD2 3.12Å; P774-F778 WeakPolarHBondContact O-CE2 3.02Å; P774-M802 VanDerWaalsContact CD-CE 3.49Å; P774-M802 HydrophobicContact CG-CE 3.89Å
775	V	38.9	Very low	42.6	Very low	13 Å²	13	68.5 Å²	68.5	8%	0.079	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-49	-20	161.8	-179.4	0	0	0	0	118.5	K722 M723 V751 T755 D777 F778	K722-V775 CarbonylContact O-C 3.56Å; K722-V775 WeakPolarHBondContact O-CA 3.05Å; K722-V775 WeakPolarHBondContact O-CB 3.28Å; K722-V775 PolarHBondContact O-N 3.29Å; M723-V775 VanDerWaalsContact C-CG2 3.46Å; M723-V775 WeakPolarHBondContact O-CB 3.12Å; M723-V775 WeakPolarHBondContact O-CG2 3.46Å; V751-V775 HydrophobicContact CG1-CG1 3.97Å; T755-V775 HydrophobicContact CG2-CG2 3.33Å; T755-V775 WeakPolarHBondContact OG1-CG2 3.05Å; V775-D777 VanDerWaalsContact C-N 3.3Å; V775-D777 PolarHBondContact O-N 2.97Å; V775-F778 WeakPolarHBondContact O-CB 3.39Å; V775-F778 PolarHBondContact O-N 2.73Å; V775-F778 VanDerWaalsContact O-N 3.1Å
776	N	37.1	Very low	42.6	Very low	49 Å²	49	74.7 Å²	74.7	26%	0.262	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-68.4	-22.9	-171.2	-114.3	-1.3	0	0	0	115.7	E721 K722 F724 P725 A726 P774 F778	E721-N776 WeakPolarHBondContact O-CB 3.28Å; E721-N776 PolarHBondContact O-ND2 3.23Å; E721-N776 PolarHBondContact O-OD1 2.95Å; K722-N776 PolarHBondContact O-N 3.4Å; F724-N776 PolarHBondContact O-OD1 2.67Å; P725-N776 WeakPolarHBondContact CA-OD1 3.4Å; A726-N776 PolarHBondContact N-OD1 3.28Å; P774-N776 VanDerWaalsContact C-N 3.31Å; P774-N776 PolarHBondContact O-N 3.05Å; N776-F778 PolarHBondContact O-N 3.43Å
777	D	39.2	Very low	42.5	Very low	117 Å²	117	74.1 Å²	74.1	63%	0.626	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-84.5	1.8	176.7	-62.5	-29.5	0	0	0	112.6	V775 L798	V775-D777 VanDerWaalsContact C-N 3.3Å; V775-D777 PolarHBondContact O-N 2.97Å; D777-L798 HydrophobicContact CB-CD2 4.39Å
778	F	42.3	Very low	43.2	Very low	22 Å²	22	75.7 Å²	75.7	10%	0.096	43%	0.432	C	S	.	.			trans	-109.2	3.5	-163.1	-68.9	-72.7	0	0	0	116.3	L758 P774 V775 N776 G780 I781 F795 L798	L758-F778 HydrophobicContact CD2-CB 3.76Å; L758-F778 HydrophobicContact CD2-CD1 3.44Å; L758-F778 VanDerWaalsContact CD2-CD1 3.44Å; L758-F778 HydrophobicContact CD2-CE1 4.2Å; L758-F778 HydrophobicContact CD2-CG 3.68Å; P774-F778 WeakPolarHBondContact O-CD2 3.12Å; P774-F778 WeakPolarHBondContact O-CE2 3.02Å; V775-F778 WeakPolarHBondContact O-CB 3.39Å; V775-F778 PolarHBondContact O-N 2.73Å; V775-F778 VanDerWaalsContact O-N 3.1Å; N776-F778 PolarHBondContact O-N 3.43Å; F778-G780 VanDerWaalsContact C-N 3.34Å; F778-G780 PolarHBondContact O-N 3.26Å; F778-I781 HydrophobicContact CD1-CD1 3.85Å; F778-I781 HydrophobicContact CE1-CD1 4.33Å; F778-I781 PolarHBondContact O-N 2.87Å; F778-F795 AromaticContact CD1-CD2 3.97Å; F778-F795 HydrophobicContact CD1-CD2 3.97Å; F778-F795 HydrophobicContact CD1-CE2 4.5Å; F778-F795 HydrophobicContact CE1-CB 4.18Å; F778-F795 AromaticContact CE1-CD2 3.11Å; F778-F795 HydrophobicContact CE1-CD2 3.11Å; F778-F795 AromaticContact CE1-CE2 3.72Å; F778-F795 HydrophobicContact CE1-CE2 3.72Å; F778-F795 HydrophobicContact CE1-CG 4.02Å; F778-F795 HydrophobicContact CE2-CD2 4.29Å; F778-F795 HydrophobicContact CE2-CE2 4.07Å; F778-F795 AromaticContact CZ-CD2 3.25Å; F778-F795 HydrophobicContact CZ-CD2 3.25Å; F778-F795 AromaticContact CZ-CE2 3.41Å; F778-F795 HydrophobicContact CZ-CE2 3.41Å; F778-F795 VanDerWaalsContact CZ-CE2 3.41Å; F778-F795 HydrophobicContact CZ-CG 4.23Å; F778-L798 HydrophobicContact CE1-CD2 4.27Å; F778-L798 HydrophobicContact CE2-CD2 4.26Å; F778-L798 HydrophobicContact CZ-CD2 3.69Å
779	L	31.2	Very low	43.9	Very low	117 Å²	117	78.5 Å²	78.5	61%	0.613	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	82.8	176.6	-70.5	167.2	0	0	0	111.5	P725	P725-L779 HydrophobicContact CB-CD1 3.58Å; P725-L779 HydrophobicContact CG-CD1 3.7Å; P725-L779 HydrophobicContact CG-CD2 4.16Å; P725-L779 HydrophobicContact CG-CG 4.33Å
780	G	37.7	Very low	44.8	Very low	54 Å²	54	84.1 Å²	84.1	56%	0.557	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	170.2	-8.6	174.9	0	0	0	0	0	112.8	F778 K791	F778-G780 VanDerWaalsContact C-N 3.34Å; F778-G780 PolarHBondContact O-N 3.26Å; G780-K791 PolarHBondContact O-NZ 3.44Å
781	I	39.4	Very low	45.8	Very low	31 Å²	31	82.7 Å²	82.7	16%	0.159	46%	0.455	C	S	.	.	S	Bend	trans	-93	-27	-164.9	-59.8	-153	0	0	0	113.2	L758 F778 K791	L758-I781 HydrophobicContact CD1-CB 4.34Å; L758-I781 HydrophobicContact CD1-CG2 3.51Å; F778-I781 HydrophobicContact CD1-CD1 3.85Å; F778-I781 HydrophobicContact CE1-CD1 4.33Å; F778-I781 PolarHBondContact O-N 2.87Å; I781-K791 HydrophobicContact CB-CD 4.23Å; I781-K791 HydrophobicContact CG2-CB 3.77Å; I781-K791 HydrophobicContact CG2-CD 3.72Å; I781-K791 HydrophobicContact CG2-CG 4.09Å; I781-K791 WeakPolarHBondContact O-CD 3.34Å; I781-K791 PolarHBondContact O-NZ 2.67Å
782	V	36.7	Very low	46.6	Very low	87 Å²	87	79.2 Å²	79.2	53%	0.527	44%	0.438	S	S	.	.			trans	-116.7	77.5	-177	-166	0	0	0	0	110.7	L758	L758-V782 HydrophobicContact CB-CG2 4.36Å; L758-V782 HydrophobicContact CD1-CG2 4.05Å
783	T	34.7	Very low	47.7	Very low	106 Å²	106	77.3 Å²	77.3	65%	0.65	42%	0.416	S	S	*	.			trans	-119.3	122.6	154.3	53.6	0	0	0	0	106
784	E	40.9	Very low	48.8	Very low	172 Å²	172	80.1 Å²	80.1	80%	0.804	43%	0.428	S	S	*	.	S	Bend	trans	94.5	142.7	179.9	-54	-179.1	170.7	0	0	115.6	E786	E784-E786 PolarHBondContact O-N 3.15Å
785	N	50.7	Low	49.3	Very low	180 Å²	180	80.3 Å²	80.3	96%	0.963	43%	0.427	S	S	*	.	S	Bend	trans	-71.2	20.4	-162.2	-68.2	-45.1	0	0	0	114.8
786	E	55.8	Low	50.2	Low	175 Å²	175	79.8 Å²	79.8	82%	0.818	42%	0.424	S	S	*	.	S	Bend	trans	-129.2	131.8	-174.9	-66.9	-173.9	166.6	0	0	110.2	E784 D788	E784-E786 PolarHBondContact O-N 3.15Å; E786-D788 PolarHBondContact O-N 3.41Å
787	C	59.1	Low	51.1	Low	54 Å²	54	82.6 Å²	82.6	37%	0.365	44%	0.436	S	S	.	.			trans	-73.6	105.7	179.5	178.3	0	0	0	0	108.7	C761 F765 K789	C761-C787 WeakPolarHBondContact CA-SG 3.05Å; C761-C787 HydrophobicContact CB-CB 4.06Å; C761-C787 WeakPolarHBondContact CB-SG 3.45Å; C761-C787 WeakPolarHBondContact SG-CA 2.84Å; C761-C787 WeakPolarHBondContact SG-CB 3.13Å; C761-C787 CovalentContact SG-SG 2.02Å; C761-C787 PolarHBondContact SG-SG 3.43Å; F765-C787 HydrophobicContact CE2-CB 4.22Å; F765-C787 WeakPolarHBondContact CE2-SG 2.89Å; F765-C787 HydrophobicContact CZ-CB 4.45Å; F765-C787 WeakPolarHBondContact CZ-O 3.29Å; C787-K789 PolarHBondContact O-N 3.31Å
788	D	66.1	Low	51.5	Low	63 Å²	63	80.2 Å²	80.2	34%	0.337	42%	0.423	S	S	.	.			trans	-76.6	116.3	-177	176.9	-23.7	0	0	0	110.6	E786 E790 K791 A792	E786-D788 PolarHBondContact O-N 3.41Å; D788-E790 PolarHBondContact O-N 3.26Å; D788-E790 WeakPolarHBondContact OD1-CB 3.43Å; D788-E790 PolarHBondContact OD1-N 3.09Å; D788-K791 HydrophobicContact CB-CB 3.86Å; D788-K791 HydrophobicContact CB-CD 3.82Å; D788-K791 HydrophobicContact CB-CG 4.09Å; D788-K791 WeakPolarHBondContact O-CB 3.09Å; D788-K791 PolarHBondContact O-N 3.4Å; D788-K791 PolarHBondContact OD1-N 2.9Å; D788-K791 VanDerWaalsContact OD1-N 3.11Å; D788-K791 VanDerWaalsContact OD2-CD 3.23Å; D788-K791 WeakPolarHBondContact OD2-CD 3.47Å; D788-K791 VanDerWaalsContact OD2-CE 3.24Å; D788-K791 WeakPolarHBondContact OD2-CE 3.37Å; D788-K791 WeakPolarHBondContact OD2-CG 3.37Å; D788-A792 WeakPolarHBondContact O-CB 3.06Å; D788-A792 PolarHBondContact O-N 2.94Å
789	K	62.2	Low	51.9	Low	110 Å²	110	79.5 Å²	79.5	48%	0.478	42%	0.42	S	S	.	.	H	α-helix	trans	-61	-40.2	-178.1	-177.5	-171.1	-179.6	157.1	0	113	E520 F765 C787 K791 A792 A793	E520-K789 VanDerWaalsContact OE1-CD 3.3Å; E520-K789 WeakPolarHBondContact OE1-CD 3.42Å; E520-K789 IonicContact OE1-NZ 3.47Å; E520-K789 WeakPolarHBondContact OE2-CD 3.45Å; E520-K789 WeakPolarHBondContact OE2-CE 3.25Å; E520-K789 IonicContact OE2-NZ 3.66Å; E520-K789 PolarHBondContact OE2-NZ 3.27Å; F765-K789 HydrophobicContact CD1-CG 4.23Å; F765-K789 HydrophobicContact CE1-CB 4.01Å; F765-K789 HydrophobicContact CE1-CG 4.12Å; F765-K789 HydrophobicContact CE2-CB 4.28Å; F765-K789 HydrophobicContact CZ-CB 3.83Å; F765-K789 HydrophobicContact CZ-CG 4.39Å; C787-K789 PolarHBondContact O-N 3.31Å; K789-K791 VanDerWaalsContact C-N 3.34Å; K789-A792 PolarHBondContact O-N 3.14Å; K789-A793 WeakPolarHBondContact O-CB 3.21Å; K789-A793 PolarHBondContact O-N 2.78Å
790	E	66.1	Low	52.7	Low	141 Å²	141	78 Å²	78	66%	0.659	41%	0.409	S	S	*	.	H	α-helix	trans	-69.3	-41	-177.2	-166.4	173.2	-171.5	0	0	109.8	D788 A793 Q794	D788-E790 PolarHBondContact O-N 3.26Å; D788-E790 WeakPolarHBondContact OD1-CB 3.43Å; D788-E790 PolarHBondContact OD1-N 3.09Å; E790-A793 WeakPolarHBondContact O-CB 3.33Å; E790-A793 PolarHBondContact O-N 3.26Å; E790-Q794 VanDerWaalsContact O-CG 3.28Å; E790-Q794 WeakPolarHBondContact O-CG 3.35Å; E790-Q794 PolarHBondContact O-N 3.45Å
791	K	60	Low	53.2	Low	48 Å²	48	77 Å²	77	21%	0.209	40%	0.398	C	S	.	.	H	α-helix	trans	-64.4	-38.9	172	-80.7	-177.2	-167.8	-170.8	0	113.6	G780 I781 D788 K789 Q794 F795	G780-K791 PolarHBondContact O-NZ 3.44Å; I781-K791 HydrophobicContact CB-CD 4.23Å; I781-K791 HydrophobicContact CG2-CB 3.77Å; I781-K791 HydrophobicContact CG2-CD 3.72Å; I781-K791 HydrophobicContact CG2-CG 4.09Å; I781-K791 WeakPolarHBondContact O-CD 3.34Å; I781-K791 PolarHBondContact O-NZ 2.67Å; D788-K791 HydrophobicContact CB-CB 3.86Å; D788-K791 HydrophobicContact CB-CD 3.82Å; D788-K791 HydrophobicContact CB-CG 4.09Å; D788-K791 WeakPolarHBondContact O-CB 3.09Å; D788-K791 PolarHBondContact O-N 3.4Å; D788-K791 PolarHBondContact OD1-N 2.9Å; D788-K791 VanDerWaalsContact OD1-N 3.11Å; D788-K791 VanDerWaalsContact OD2-CD 3.23Å; D788-K791 WeakPolarHBondContact OD2-CD 3.47Å; D788-K791 VanDerWaalsContact OD2-CE 3.24Å; D788-K791 WeakPolarHBondContact OD2-CE 3.37Å; D788-K791 WeakPolarHBondContact OD2-CG 3.37Å; K789-K791 VanDerWaalsContact C-N 3.34Å; K791-Q794 WeakPolarHBondContact O-CB 3.11Å; K791-Q794 PolarHBondContact O-N 3.25Å; K791-F795 PolarHBondContact O-N 3.25Å
792	A	59.4	Low	53.2	Low	1 Å²	1	77.4 Å²	77.4	1%	0.008	40%	0.4	C	S	.	.	H	α-helix	trans	-68.8	-36.2	173.2	0	0	0	0	0	112.5	F765 Y766 D788 K789 Q794 F795 V796	F765-A792 HydrophobicContact CB-CB 4.32Å; F765-A792 HydrophobicContact CD2-CB 3.17Å; F765-A792 HydrophobicContact CE2-CB 3.65Å; F765-A792 HydrophobicContact CG-CB 4.07Å; Y766-A792 HydrophobicContact CE2-CB 4.37Å; D788-A792 WeakPolarHBondContact O-CB 3.06Å; D788-A792 PolarHBondContact O-N 2.94Å; K789-A792 PolarHBondContact O-N 3.14Å; A792-Q794 VanDerWaalsContact C-N 3.34Å; A792-F795 WeakPolarHBondContact O-CB 3.43Å; A792-F795 PolarHBondContact O-N 3.36Å; A792-V796 WeakPolarHBondContact O-CG2 3.48Å; A792-V796 PolarHBondContact O-N 3.09Å
793	A	61.9	Low	53.3	Low	25 Å²	25	76.5 Å²	76.5	21%	0.207	39%	0.392	C	S	.	.	H	α-helix	trans	-63.1	-42.4	172.2	0	0	0	0	0	111	Y766 K789 E790 V796 E797	Y766-A793 HydrophobicContact CE2-CB 4.25Å; Y766-A793 VanDerWaalsContact OH-CA 3.26Å; Y766-A793 WeakPolarHBondContact OH-CA 3.23Å; Y766-A793 WeakPolarHBondContact OH-CB 3.11Å; K789-A793 WeakPolarHBondContact O-CB 3.21Å; K789-A793 PolarHBondContact O-N 2.78Å; E790-A793 WeakPolarHBondContact O-CB 3.33Å; E790-A793 PolarHBondContact O-N 3.26Å; A793-V796 PolarHBondContact O-N 3.34Å; A793-E797 WeakPolarHBondContact O-CB 2.99Å; A793-E797 WeakPolarHBondContact O-CG 3.3Å; A793-E797 PolarHBondContact O-N 3.47Å
794	Q	61.7	Low	53.4	Low	109 Å²	109	77.5 Å²	77.5	51%	0.509	39%	0.389	S	S	.	.	H	α-helix	trans	-61.4	-43.1	172.1	-70.9	169.2	15.9	0	0	111.6	E790 K791 A792 V796 L798	E790-Q794 VanDerWaalsContact O-CG 3.28Å; E790-Q794 WeakPolarHBondContact O-CG 3.35Å; E790-Q794 PolarHBondContact O-N 3.45Å; K791-Q794 WeakPolarHBondContact O-CB 3.11Å; K791-Q794 PolarHBondContact O-N 3.25Å; A792-Q794 VanDerWaalsContact C-N 3.34Å; Q794-V796 VanDerWaalsContact C-N 3.3Å; Q794-V796 PolarHBondContact O-N 3.24Å; Q794-L798 WeakPolarHBondContact O-CB 3.26Å; Q794-L798 PolarHBondContact O-N 2.99Å
795	F	54.8	Low	53.2	Low	12 Å²	12	71.7 Å²	71.7	5%	0.053	37%	0.371	C	S	.	.	H	α-helix	trans	-56.7	-45	172.6	177.5	-80.5	0	0	0	110.9	L758 A762 V769 M771 F778 K791 A792 L798 V799	L758-F795 HydrophobicContact CD2-CD2 4.27Å; L758-F795 HydrophobicContact CG-CD2 4.35Å; A762-F795 HydrophobicContact CB-CB 4.27Å; A762-F795 HydrophobicContact CB-CD1 3.15Å; A762-F795 HydrophobicContact CB-CD2 4.34Å; A762-F795 HydrophobicContact CB-CE1 3.51Å; A762-F795 HydrophobicContact CB-CG 3.68Å; A762-F795 HydrophobicContact CB-CZ 4.33Å; V769-F795 HydrophobicContact CG1-CE1 4.38Å; M771-F795 HydrophobicContact CE-CE1 3.96Å; M771-F795 HydrophobicContact CE-CE2 4.2Å; M771-F795 HydrophobicContact CE-CZ 3.33Å; M771-F795 HydrophobicContact SD-CE1 3.55Å; M771-F795 VanDerWaalsContact SD-CE1 3.55Å; M771-F795 HydrophobicContact SD-CZ 3.57Å; M771-F795 VanDerWaalsContact SD-CZ 3.57Å; F778-F795 AromaticContact CD1-CD2 3.97Å; F778-F795 HydrophobicContact CD1-CD2 3.97Å; F778-F795 HydrophobicContact CD1-CE2 4.5Å; F778-F795 HydrophobicContact CE1-CB 4.18Å; F778-F795 AromaticContact CE1-CD2 3.11Å; F778-F795 HydrophobicContact CE1-CD2 3.11Å; F778-F795 AromaticContact CE1-CE2 3.72Å; F778-F795 HydrophobicContact CE1-CE2 3.72Å; F778-F795 HydrophobicContact CE1-CG 4.02Å; F778-F795 HydrophobicContact CE2-CD2 4.29Å; F778-F795 HydrophobicContact CE2-CE2 4.07Å; F778-F795 AromaticContact CZ-CD2 3.25Å; F778-F795 HydrophobicContact CZ-CD2 3.25Å; F778-F795 AromaticContact CZ-CE2 3.41Å; F778-F795 HydrophobicContact CZ-CE2 3.41Å; F778-F795 VanDerWaalsContact CZ-CE2 3.41Å; F778-F795 HydrophobicContact CZ-CG 4.23Å; K791-F795 PolarHBondContact O-N 3.25Å; A792-F795 WeakPolarHBondContact O-CB 3.43Å; A792-F795 PolarHBondContact O-N 3.36Å; F795-L798 WeakPolarHBondContact O-CB 3.41Å; F795-L798 PolarHBondContact O-N 3.17Å; F795-V799 HydrophobicContact CD1-CG2 3.94Å; F795-V799 HydrophobicContact CE1-CB 4.41Å; F795-V799 HydrophobicContact CE1-CG2 3.44Å; F795-V799 VanDerWaalsContact CE1-CG2 3.44Å; F795-V799 HydrophobicContact CE2-CG2 4.27Å; F795-V799 HydrophobicContact CZ-CG2 3.57Å; F795-V799 WeakPolarHBondContact O-CG2 3.18Å; F795-V799 PolarHBondContact O-N 3.43Å
796	V	56.5	Low	52.5	Low	2 Å²	2	69.4 Å²	69.4	1%	0.012	35%	0.354	C	S	.	.	H	α-helix	trans	-76.2	-38.2	-177	168.1	0	0	0	0	113.9	Y766 V769 A792 A793 Q794 L798 V799 K800	Y766-V796 VanDerWaalsContact CB-CG2 3.41Å; Y766-V796 HydrophobicContact CD1-CB 4.05Å; Y766-V796 HydrophobicContact CD1-CG1 3.6Å; Y766-V796 HydrophobicContact CD1-CG2 4.05Å; Y766-V796 HydrophobicContact CD2-CB 3.68Å; Y766-V796 HydrophobicContact CD2-CG1 4.18Å; Y766-V796 HydrophobicContact CD2-CG2 3.09Å; Y766-V796 HydrophobicContact CE1-CB 4.24Å; Y766-V796 HydrophobicContact CE1-CG1 3.94Å; Y766-V796 HydrophobicContact CE2-CB 3.92Å; Y766-V796 HydrophobicContact CE2-CG1 4.5Å; Y766-V796 HydrophobicContact CE2-CG2 3.79Å; Y766-V796 HydrophobicContact CG-CB 3.74Å; Y766-V796 HydrophobicContact CG-CG1 3.71Å; Y766-V796 HydrophobicContact CG-CG2 3.25Å; V769-V796 HydrophobicContact CG2-CB 4.22Å; V769-V796 HydrophobicContact CG2-CG1 3.73Å; V769-V796 HydrophobicContact CG2-CG2 3.65Å; A792-V796 WeakPolarHBondContact O-CG2 3.48Å; A792-V796 PolarHBondContact O-N 3.09Å; A793-V796 PolarHBondContact O-N 3.34Å; Q794-V796 VanDerWaalsContact C-N 3.3Å; Q794-V796 PolarHBondContact O-N 3.24Å; V796-L798 PolarHBondContact O-N 3.04Å; V796-V799 PolarHBondContact O-N 2.98Å; V796-K800 HydrophobicContact CG1-CD 4.32Å; V796-K800 HydrophobicContact CG1-CG 4.27Å; V796-K800 VanDerWaalsContact O-CB 3.25Å; V796-K800 WeakPolarHBondContact O-CB 3.23Å; V796-K800 VanDerWaalsContact O-CG 3.25Å; V796-K800 WeakPolarHBondContact O-CG 3.26Å; V796-K800 PolarHBondContact O-N 3.18Å
797	E	57.6	Low	51.2	Low	109 Å²	109	67.9 Å²	67.9	51%	0.509	35%	0.347	S	S	.	.	H	α-helix	trans	-63.6	-36	169.7	-74.5	-59.1	130.5	0	0	110.6	A793 K800 G801	A793-E797 WeakPolarHBondContact O-CB 2.99Å; A793-E797 WeakPolarHBondContact O-CG 3.3Å; A793-E797 PolarHBondContact O-N 3.47Å; E797-K800 IonicContact OE1-NZ 2.72Å; E797-K800 PolarHBondContact OE1-NZ 3.14Å; E797-G801 PolarHBondContact O-N 3.45Å
798	L	47.8	Very low	49.6	Very low	67 Å²	67	72 Å²	72	35%	0.351	36%	0.363	S	S	.	.	H	α-helix	trans	-66.1	-47.6	172.4	-172.9	70.6	0	0	0	111.3	D777 F778 Q794 F795 V796 G801 M802	D777-L798 HydrophobicContact CB-CD2 4.39Å; F778-L798 HydrophobicContact CE1-CD2 4.27Å; F778-L798 HydrophobicContact CE2-CD2 4.26Å; F778-L798 HydrophobicContact CZ-CD2 3.69Å; Q794-L798 WeakPolarHBondContact O-CB 3.26Å; Q794-L798 PolarHBondContact O-N 2.99Å; F795-L798 WeakPolarHBondContact O-CB 3.41Å; F795-L798 PolarHBondContact O-N 3.17Å; V796-L798 PolarHBondContact O-N 3.04Å; L798-G801 CarbonylContact O-C 3.51Å; L798-G801 WeakPolarHBondContact O-CA 3.18Å; L798-G801 PolarHBondContact O-N 3.16Å; L798-G801 VanDerWaalsContact O-N 3.16Å; L798-M802 WeakPolarHBondContact O-CB 3.48Å; L798-M802 VanDerWaalsContact O-CG 3.25Å; L798-M802 WeakPolarHBondContact O-CG 3.39Å; L798-M802 PolarHBondContact O-N 3.11Å
799	V	49.7	Very low	47.8	Very low	6 Å²	6	73.7 Å²	73.7	4%	0.036	38%	0.375	C	S	.	.	H	α-helix	trans	-70.2	-32.9	178.8	-178.6	0	0	0	0	112	V769 L773 F795 V796 M802 N803	V769-V799 HydrophobicContact CG1-CB 3.5Å; V769-V799 VanDerWaalsContact CG1-CB 3.5Å; V769-V799 HydrophobicContact CG1-CG1 3.13Å; V769-V799 HydrophobicContact CG1-CG2 4.06Å; L773-V799 HydrophobicContact CD1-CG1 4.31Å; F795-V799 HydrophobicContact CD1-CG2 3.94Å; F795-V799 HydrophobicContact CE1-CB 4.41Å; F795-V799 HydrophobicContact CE1-CG2 3.44Å; F795-V799 VanDerWaalsContact CE1-CG2 3.44Å; F795-V799 HydrophobicContact CE2-CG2 4.27Å; F795-V799 HydrophobicContact CZ-CG2 3.57Å; F795-V799 WeakPolarHBondContact O-CG2 3.18Å; F795-V799 PolarHBondContact O-N 3.43Å; V796-V799 PolarHBondContact O-N 2.98Å; V799-M802 CarbonylContact O-C 3.44Å; V799-M802 PolarHBondContact O-N 2.92Å; V799-N803 WeakPolarHBondContact O-CB 3.25Å; V799-N803 PolarHBondContact O-N 2.8Å
800	K	48.4	Very low	46	Very low	87 Å²	87	72.4 Å²	72.4	38%	0.378	37%	0.371	S	S	.	.	H	α-helix	trans	-61.1	-48.6	166.9	-78.6	179.1	-172.2	170.5	0	109.5	V796 E797 M802 N803 E804	V796-K800 HydrophobicContact CG1-CD 4.32Å; V796-K800 HydrophobicContact CG1-CG 4.27Å; V796-K800 VanDerWaalsContact O-CB 3.25Å; V796-K800 WeakPolarHBondContact O-CB 3.23Å; V796-K800 VanDerWaalsContact O-CG 3.25Å; V796-K800 WeakPolarHBondContact O-CG 3.26Å; V796-K800 PolarHBondContact O-N 3.18Å; E797-K800 IonicContact OE1-NZ 2.72Å; E797-K800 PolarHBondContact OE1-NZ 3.14Å; K800-M802 PolarHBondContact O-N 2.84Å; K800-N803 CarbonylContact O-C 3.58Å; K800-N803 PolarHBondContact O-N 2.77Å; K800-N803 VanDerWaalsContact O-N 3.1Å; K800-E804 WeakPolarHBondContact O-CA 3.47Å; K800-E804 WeakPolarHBondContact O-CB 3.42Å; K800-E804 WeakPolarHBondContact O-CG 3.43Å; K800-E804 PolarHBondContact O-N 3.36Å
801	G	47.1	Very low	44.1	Very low	32 Å²	32	71.2 Å²	71.2	33%	0.33	38%	0.375	S	S	.	.	H	α-helix	trans	-59.4	-32.9	174.9	0	0	0	0	0	113	E797 L798 A805	E797-G801 PolarHBondContact O-N 3.45Å; L798-G801 CarbonylContact O-C 3.51Å; L798-G801 WeakPolarHBondContact O-CA 3.18Å; L798-G801 PolarHBondContact O-N 3.16Å; L798-G801 VanDerWaalsContact O-N 3.16Å; G801-A805 WeakPolarHBondContact O-CA 3.27Å; G801-A805 WeakPolarHBondContact O-CB 3.5Å; G801-A805 PolarHBondContact O-N 3.23Å
802	M	40.2	Very low	42.8	Very low	40 Å²	40	73.7 Å²	73.7	20%	0.197	39%	0.394	C	S	.	.	H	α-helix	trans	-80.6	-31.3	174.7	-68.1	-171.9	77.3	0	0	112.9	L773 P774 L798 V799 K800 A805 E806	L773-M802 HydrophobicContact CB-CE 4.22Å; L773-M802 HydrophobicContact CB-SD 4.2Å; L773-M802 HydrophobicContact CD1-CB 3.56Å; L773-M802 HydrophobicContact CD1-CE 3.82Å; L773-M802 HydrophobicContact CD1-CG 4.33Å; L773-M802 HydrophobicContact CD1-SD 3.86Å; L773-M802 HydrophobicContact CD2-CE 3.75Å; L773-M802 HydrophobicContact CG-CE 4.12Å; L773-M802 HydrophobicContact CG-SD 4.47Å; P774-M802 VanDerWaalsContact CD-CE 3.49Å; P774-M802 HydrophobicContact CG-CE 3.89Å; L798-M802 WeakPolarHBondContact O-CB 3.48Å; L798-M802 VanDerWaalsContact O-CG 3.25Å; L798-M802 WeakPolarHBondContact O-CG 3.39Å; L798-M802 PolarHBondContact O-N 3.11Å; V799-M802 CarbonylContact O-C 3.44Å; V799-M802 PolarHBondContact O-N 2.92Å; K800-M802 PolarHBondContact O-N 2.84Å; M802-A805 CarbonylContact O-C 3.58Å; M802-A805 PolarHBondContact O-N 3.1Å; M802-E806 WeakPolarHBondContact O-CA 3.3Å; M802-E806 WeakPolarHBondContact O-CB 3.37Å; M802-E806 VanDerWaalsContact O-CG 3.3Å; M802-E806 WeakPolarHBondContact O-CG 3.32Å; M802-E806 PolarHBondContact O-N 2.93Å
803	N	38.7	Very low	41.4	Very low	68 Å²	68	78.1 Å²	78.1	36%	0.364	42%	0.423	S	S	.	.	H	α-helix	trans	-79.7	-25.9	174.9	-167.4	54.5	0	0	0	110.9	V799 K800 Q807	V799-N803 WeakPolarHBondContact O-CB 3.25Å; V799-N803 PolarHBondContact O-N 2.8Å; K800-N803 CarbonylContact O-C 3.58Å; K800-N803 PolarHBondContact O-N 2.77Å; K800-N803 VanDerWaalsContact O-N 3.1Å; N803-Q807 VanDerWaalsContact O-CB 3.27Å; N803-Q807 WeakPolarHBondContact O-CB 3.12Å; N803-Q807 WeakPolarHBondContact O-CG 3.42Å; N803-Q807 PolarHBondContact O-N 2.89Å
804	E	37.5	Very low	40.2	Very low	127 Å²	127	81.4 Å²	81.4	59%	0.593	44%	0.441	S	S	*	.	H	α-helix	trans	-80.2	-28.7	168	-70.5	169.6	-170.2	0	0	110.7	K800 Q807 M808	K800-E804 WeakPolarHBondContact O-CA 3.47Å; K800-E804 WeakPolarHBondContact O-CB 3.42Å; K800-E804 WeakPolarHBondContact O-CG 3.43Å; K800-E804 PolarHBondContact O-N 3.36Å; E804-Q807 CarbonylContact O-C 3.56Å; E804-M808 PolarHBondContact O-N 2.94Å
805	A	35.2	Very low	39.1	Very low	50 Å²	50	80.9 Å²	80.9	41%	0.413	44%	0.441	S	S	.	.	H	α-helix	trans	-86.9	-12.5	168.4	0	0	0	0	0	113.8	G801 M802 M808	G801-A805 WeakPolarHBondContact O-CA 3.27Å; G801-A805 WeakPolarHBondContact O-CB 3.5Å; G801-A805 PolarHBondContact O-N 3.23Å; M802-A805 CarbonylContact O-C 3.58Å; M802-A805 PolarHBondContact O-N 3.1Å; A805-M808 WeakPolarHBondContact O-CB 3.36Å; A805-M808 WeakPolarHBondContact O-CG 3.23Å; A805-M808 PolarHBondContact O-N 2.91Å; A805-M808 VanDerWaalsContact O-SD 3.39Å
806	E	36.8	Very low	38.4	Very low	132 Å²	132	88 Å²	88	62%	0.617	47%	0.473	S	S	*	.	H	α-helix	trans	-97.3	-17.1	165.8	-76	-170.8	167	0	0	111.1	M802 M808	M802-E806 WeakPolarHBondContact O-CA 3.3Å; M802-E806 WeakPolarHBondContact O-CB 3.37Å; M802-E806 VanDerWaalsContact O-CG 3.3Å; M802-E806 WeakPolarHBondContact O-CG 3.32Å; M802-E806 PolarHBondContact O-N 2.93Å; E806-M808 PolarHBondContact O-N 3.09Å
807	Q	28.7	Very low	37.9	Very low	143 Å²	143	90.7 Å²	90.7	67%	0.668	49%	0.488	S	S	*	.	S	Bend	trans	-82.3	40	144.4	-69.8	-174.8	-12.4	0	0	110.4	N803 E804 V809	N803-Q807 VanDerWaalsContact O-CB 3.27Å; N803-Q807 WeakPolarHBondContact O-CB 3.12Å; N803-Q807 WeakPolarHBondContact O-CG 3.42Å; N803-Q807 PolarHBondContact O-N 2.89Å; E804-Q807 CarbonylContact O-C 3.56Å; Q807-V809 VanDerWaalsContact C-N 3.33Å; Q807-V809 PolarHBondContact O-N 3.36Å
808	M	26.2	Very low	37.2	Very low	140 Å²	140	90.7 Å²	90.7	69%	0.69	50%	0.497	S	S	*	.			trans	-59.7	104.5	160.8	-100.6	176.5	90	0	0	107.3	E804 A805 E806 E810	E804-M808 PolarHBondContact O-N 2.94Å; A805-M808 WeakPolarHBondContact O-CB 3.36Å; A805-M808 WeakPolarHBondContact O-CG 3.23Å; A805-M808 PolarHBondContact O-N 2.91Å; A805-M808 VanDerWaalsContact O-SD 3.39Å; E806-M808 PolarHBondContact O-N 3.09Å; M808-E810 PolarHBondContact O-N 3.07Å
809	V	26.6	Very low	37.2	Very low	98 Å²	98	91.6 Å²	91.6	59%	0.594	51%	0.509	S	S	*	.				25.2	96.6	117.9	-178	0	0	0	0	109.8	Q807	Q807-V809 VanDerWaalsContact C-N 3.33Å; Q807-V809 PolarHBondContact O-N 3.36Å
810	E	25	Very low	37.4	Very low	84 Å²	84	96.4 Å²	96.4	39%	0.393	54%	0.535	S	S	.	.	S	Bend	trans	-41.3	133.1	150.9	-84.2	-178.2	164.6	0	0	106.2	M808 T812 Q959	M808-E810 PolarHBondContact O-N 3.07Å; E810-T812 VanDerWaalsContact C-N 3.35Å; E810-T812 PolarHBondContact O-N 2.99Å; E810-Q959 VanDerWaalsContact OE1-CB 3.24Å; E810-Q959 WeakPolarHBondContact OE1-CB 3.37Å; E810-Q959 VanDerWaalsContact OE1-CD 3.24Å; E810-Q959 PolarHBondContact OE1-OE1 3.36Å; E810-Q959 PolarHBondContact OE2-NE2 3.23Å; E810-Q959 PolarHBondContact OE2-OE1 3.19Å; E810-Q959 VanDerWaalsContact OE2-OE1 3.05Å
811	P	26.1	Very low	37.7	Very low	115 Å²	115	94.3 Å²	94.3	75%	0.747	53%	0.528	S	S	*	.			trans	-48	107.2	-178	-17.9	26.4	0	0	0	107.2	P813	P811-P813 VanDerWaalsContact O-N 3.12Å
812	T	32.4	Very low	38.1	Very low	100 Å²	100	95 Å²	95	61%	0.613	52%	0.524	S	S	*	.			trans	-54.6	126.8	163.4	-41.4	0	0	0	0	102.4	E810 T814	E810-T812 VanDerWaalsContact C-N 3.35Å; E810-T812 PolarHBondContact O-N 2.99Å; T812-T814 PolarHBondContact O-N 3.12Å
813	P	31.5	Very low	39.2	Very low	95 Å²	95	97.8 Å²	97.8	62%	0.617	54%	0.536	S	S	*	.			trans	-48.9	124.4	-180	19.7	-30.5	0	0	0	105.9	P811 I815	P811-P813 VanDerWaalsContact O-N 3.12Å; P813-I815 PolarHBondContact O-N 2.89Å
814	T	36.4	Very low	40.2	Very low	93 Å²	93	99 Å²	99	57%	0.571	54%	0.543	S	S	*	.			trans	-39.8	121.3	176.4	-27.6	0	0	0	0	106.7	T812 H816	T812-T814 PolarHBondContact O-N 3.12Å; T814-H816 VanDerWaalsContact CB-CE1 3.42Å; T814-H816 WeakPolarHBondContact CB-CE1 3.33Å; T814-H816 WeakPolarHBondContact CB-NE2 3.45Å; T814-H816 PolarHBondContact O-CD2 3.09Å; T814-H816 PolarHBondContact O-N 2.95Å; T814-H816 PolarHBondContact OG1-NE2 3.46Å
815	I	37.6	Very low	41	Very low	99 Å²	99	95.7 Å²	95.7	51%	0.508	53%	0.531	S	S	.	.			trans	-60.9	96.1	178	-66.7	174.8	0	0	0	105.7	P813 D821	P813-I815 PolarHBondContact O-N 2.89Å; I815-D821 WeakPolarHBondContact CA-OD2 2.9Å; I815-D821 HydrophobicContact CG1-CB 4.33Å; I815-D821 HydrophobicContact CG2-CB 3.92Å; I815-D821 WeakPolarHBondContact CG2-OD2 3.33Å
816	H	41.5	Very low	42.3	Very low	160 Å²	160	94.5 Å²	94.5	74%	0.741	52%	0.517	S	S	*	.			trans	-91.8	-16.5	-175.2	-73.8	-57.5	0	0	0	110	T814 D821	T814-H816 VanDerWaalsContact CB-CE1 3.42Å; T814-H816 WeakPolarHBondContact CB-CE1 3.33Å; T814-H816 WeakPolarHBondContact CB-NE2 3.45Å; T814-H816 PolarHBondContact O-CD2 3.09Å; T814-H816 PolarHBondContact O-N 2.95Å; T814-H816 PolarHBondContact OG1-NE2 3.46Å; H816-D821 PolarHBondContact N-OD2 3.34Å
817	D	45.3	Very low	43.6	Very low	60 Å²	60	92 Å²	92	32%	0.321	51%	0.507	S	S	.	.			trans	-142.7	106.8	-178.3	-173.1	-10.2	0	0	0	112.3	S819 N820 D821	D817-S819 PolarHBondContact O-N 2.74Å; D817-S819 PolarHBondContact OD1-N 2.9Å; D817-S819 PolarHBondContact OD1-OG 2.78Å; D817-N820 PolarHBondContact O-N 3.25Å; D817-N820 PolarHBondContact OD2-ND2 3Å; D817-D821 PolarHBondContact N-OD2 3.48Å; D817-D821 PolarHBondContact O-N 3.42Å
818	P	43.5	Very low	45.1	Very low	108 Å²	108	91.2 Å²	91.2	70%	0.701	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-14.2	-179.8	-22.1	31.4	0	0	0	115.6
819	S	46.9	Very low	46.6	Very low	86 Å²	86	88 Å²	88	60%	0.601	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-31.8	-175.2	61.8	0	0	0	0	114.2	D817	D817-S819 PolarHBondContact O-N 2.74Å; D817-S819 PolarHBondContact OD1-N 2.9Å; D817-S819 PolarHBondContact OD1-OG 2.78Å
820	N	53.1	Low	48.3	Very low	108 Å²	108	84.9 Å²	84.9	58%	0.578	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-36.1	178.4	-75.2	-50.4	0	0	0	112.5	D817 L822 Q823	D817-N820 PolarHBondContact O-N 3.25Å; D817-N820 PolarHBondContact OD2-ND2 3Å; N820-L822 PolarHBondContact O-N 2.81Å; N820-Q823 PolarHBondContact O-N 2.77Å
821	D	55.5	Low	50	Low	43 Å²	43	87 Å²	87	23%	0.23	48%	0.476	C	S	.	.	H	α-helix	trans	-70.1	-21.5	-179.1	-68.8	-38.6	0	0	0	112.5	I815 H816 D817 V825	I815-D821 WeakPolarHBondContact CA-OD2 2.9Å; I815-D821 HydrophobicContact CG1-CB 4.33Å; I815-D821 HydrophobicContact CG2-CB 3.92Å; I815-D821 WeakPolarHBondContact CG2-OD2 3.33Å; H816-D821 PolarHBondContact N-OD2 3.34Å; D817-D821 PolarHBondContact N-OD2 3.48Å; D817-D821 PolarHBondContact O-N 3.42Å; D821-V825 VanDerWaalsContact O-CG2 3.22Å; D821-V825 WeakPolarHBondContact O-CG2 3.42Å; D821-V825 PolarHBondContact O-N 3.37Å
822	L	54.7	Low	51.5	Low	46 Å²	46	87.2 Å²	87.2	24%	0.241	47%	0.47	C	S	.	.	H	α-helix	trans	-72.2	-35.7	179.3	-162.7	69.7	0	0	0	112.3	N820 Q826 N849 V865	N820-L822 PolarHBondContact O-N 2.81Å; L822-Q826 VanDerWaalsContact O-CG 3.29Å; L822-Q826 WeakPolarHBondContact O-CG 3.29Å; L822-Q826 PolarHBondContact O-N 3.5Å; L822-N849 WeakPolarHBondContact CD2-ND2 3.09Å; L822-V865 HydrophobicContact CD1-CG1 3.91Å; L822-V865 HydrophobicContact CD1-CG2 4.07Å
823	Q	62.9	Low	52.5	Low	98 Å²	98	85 Å²	85	46%	0.458	45%	0.454	S	S	.	.	H	α-helix	trans	-70.9	-40.8	177.7	-170.4	63.7	54.3	0	0	111	N820 V825 Q826 D827	N820-Q823 PolarHBondContact O-N 2.77Å; Q823-V825 VanDerWaalsContact C-N 3.29Å; Q823-V825 PolarHBondContact O-N 3.26Å; Q823-Q826 WeakPolarHBondContact O-CB 3.35Å; Q823-Q826 PolarHBondContact O-N 3.31Å; Q823-D827 PolarHBondContact NE2-OD1 3.07Å; Q823-D827 WeakPolarHBondContact O-CB 3.4Å; Q823-D827 PolarHBondContact O-N 3.36Å
824	D	59.8	Low	54.1	Low	95 Å²	95	82.5 Å²	82.5	51%	0.508	44%	0.435	S	S	.	.	H	α-helix	trans	-62.6	-36.8	175.9	-105.4	26.1	0	0	0	112.3	K828	D824-K828 WeakPolarHBondContact O-CB 3.4Å; D824-K828 WeakPolarHBondContact O-CG 3.41Å; D824-K828 PolarHBondContact O-N 2.99Å; D824-K828 VanDerWaalsContact O-N 3.15Å
825	V	56.1	Low	55	Low	56 Å²	56	86.6 Å²	86.6	34%	0.339	44%	0.44	S	S	.	.	H	α-helix	trans	-68.5	-42.3	173.6	170	0	0	0	0	111.2	D821 Q823 L829	D821-V825 VanDerWaalsContact O-CG2 3.22Å; D821-V825 WeakPolarHBondContact O-CG2 3.42Å; D821-V825 PolarHBondContact O-N 3.37Å; Q823-V825 VanDerWaalsContact C-N 3.29Å; Q823-V825 PolarHBondContact O-N 3.26Å; V825-L829 HydrophobicContact CG1-CD1 3.95Å; V825-L829 WeakPolarHBondContact O-CB 3.43Å; V825-L829 PolarHBondContact O-N 3.28Å
826	Q	61.6	Low	55.6	Low	25 Å²	25	84.9 Å²	84.9	12%	0.117	45%	0.447	C	S	.	.	H	α-helix	trans	-61.4	-48.9	175.9	-75.5	176.2	-19.6	0	0	112	L822 Q823 K828 L829 E830 V846 N849 L867	L822-Q826 VanDerWaalsContact O-CG 3.29Å; L822-Q826 WeakPolarHBondContact O-CG 3.29Å; L822-Q826 PolarHBondContact O-N 3.5Å; Q823-Q826 WeakPolarHBondContact O-CB 3.35Å; Q823-Q826 PolarHBondContact O-N 3.31Å; Q826-K828 VanDerWaalsContact C-N 3.35Å; Q826-K828 PolarHBondContact O-N 2.71Å; Q826-L829 PolarHBondContact O-N 3.16Å; Q826-E830 PolarHBondContact O-N 2.91Å; Q826-V846 HydrophobicContact CG-CG1 4.3Å; Q826-N849 PolarHBondContact NE2-ND2 3.17Å; Q826-N849 PolarHBondContact NE2-OD1 3.19Å; Q826-L867 HydrophobicContact CG-CD1 4.45Å; Q826-L867 HydrophobicContact CG-CD2 4.28Å
827	D	65	Low	56.3	Low	79 Å²	79	80.2 Å²	80.2	42%	0.422	43%	0.427	S	S	.	.	H	α-helix	trans	-64.3	-40.5	-176.8	-71.5	2.5	0	0	0	111.2	Q823 E830 Q831	Q823-D827 PolarHBondContact NE2-OD1 3.07Å; Q823-D827 WeakPolarHBondContact O-CB 3.4Å; Q823-D827 PolarHBondContact O-N 3.36Å; D827-E830 PolarHBondContact O-N 2.82Å; D827-Q831 WeakPolarHBondContact O-CB 3.15Å; D827-Q831 PolarHBondContact O-N 3.43Å
828	K	60.1	Low	56.3	Low	128 Å²	128	83.8 Å²	83.8	56%	0.557	45%	0.454	S	S	*	.	H	α-helix	trans	-64.9	-40.8	173.6	-81.2	172.2	177.5	166.6	0	112.3	D824 Q826 Q831 I832	D824-K828 WeakPolarHBondContact O-CB 3.4Å; D824-K828 WeakPolarHBondContact O-CG 3.41Å; D824-K828 PolarHBondContact O-N 2.99Å; D824-K828 VanDerWaalsContact O-N 3.15Å; Q826-K828 VanDerWaalsContact C-N 3.35Å; Q826-K828 PolarHBondContact O-N 2.71Å; K828-Q831 PolarHBondContact O-N 2.86Å; K828-I832 WeakPolarHBondContact O-CD1 3.35Å; K828-I832 VanDerWaalsContact O-CG1 3.25Å; K828-I832 WeakPolarHBondContact O-CG1 3.16Å; K828-I832 PolarHBondContact O-N 2.87Å
829	L	56.8	Low	56.7	Low	71 Å²	71	85.7 Å²	85.7	37%	0.372	45%	0.451	S	S	.	.	H	α-helix	trans	-65.8	-42.3	177.1	-111.2	123.2	0	0	0	112	V825 Q826 Q831 I832 L833 L867	V825-L829 HydrophobicContact CG1-CD1 3.95Å; V825-L829 WeakPolarHBondContact O-CB 3.43Å; V825-L829 PolarHBondContact O-N 3.28Å; Q826-L829 PolarHBondContact O-N 3.16Å; L829-Q831 VanDerWaalsContact C-N 3.29Å; L829-Q831 PolarHBondContact O-N 3.3Å; L829-I832 PolarHBondContact O-N 2.69Å; L829-L833 HydrophobicContact CD2-CD1 4.15Å; L829-L833 WeakPolarHBondContact O-CB 3.08Å; L829-L833 WeakPolarHBondContact O-CD1 3.48Å; L829-L833 VanDerWaalsContact O-CG 3.24Å; L829-L833 WeakPolarHBondContact O-CG 3.36Å; L829-L833 PolarHBondContact O-N 3.02Å; L829-L867 HydrophobicContact CB-CD1 4.45Å; L829-L867 HydrophobicContact CD1-CD1 4.07Å; L829-L867 HydrophobicContact CD2-CD1 4.29Å
830	E	62.1	Low	57	Low	34 Å²	34	86.5 Å²	86.5	16%	0.159	46%	0.456	C	S	.	.	H	α-helix	trans	-60.7	-39.3	173	-73.8	-168	173.6	0	0	111.7	Q826 D827 N834 K845 V846	Q826-E830 PolarHBondContact O-N 2.91Å; D827-E830 PolarHBondContact O-N 2.82Å; E830-N834 WeakPolarHBondContact O-CB 3.24Å; E830-N834 PolarHBondContact O-N 2.85Å; E830-N834 PolarHBondContact O-ND2 3.39Å; E830-K845 WeakPolarHBondContact OE1-CG 3.17Å; E830-V846 HydrophobicContact CG-CB 4.31Å; E830-V846 HydrophobicContact CG-CG2 3.65Å; E830-V846 WeakPolarHBondContact OE1-CB 3.43Å; E830-V846 PolarHBondContact OE1-N 2.02Å
831	Q	61	Low	57.1	Low	127 Å²	127	85.3 Å²	85.3	59%	0.593	46%	0.457	S	S	*	.	H	α-helix	trans	-66	-42.8	178	-126.5	-179.6	40	0	0	112.7	D827 K828 L829 R835	D827-Q831 WeakPolarHBondContact O-CB 3.15Å; D827-Q831 PolarHBondContact O-N 3.43Å; K828-Q831 PolarHBondContact O-N 2.86Å; L829-Q831 VanDerWaalsContact C-N 3.29Å; L829-Q831 PolarHBondContact O-N 3.3Å; Q831-R835 WeakPolarHBondContact O-CB 3.34Å; Q831-R835 WeakPolarHBondContact O-CG 3.25Å; Q831-R835 PolarHBondContact O-N 2.84Å; Q831-R835 VanDerWaalsContact O-N 3.08Å
832	I	57.1	Low	57	Low	120 Å²	120	84.7 Å²	84.7	62%	0.615	45%	0.454	S	S	*	.	H	α-helix	trans	-67.4	-47.7	178.9	-69.2	165	0	0	0	110.3	K828 L829 N834 R835 G836	K828-I832 WeakPolarHBondContact O-CD1 3.35Å; K828-I832 VanDerWaalsContact O-CG1 3.25Å; K828-I832 WeakPolarHBondContact O-CG1 3.16Å; K828-I832 PolarHBondContact O-N 2.87Å; L829-I832 PolarHBondContact O-N 2.69Å; I832-N834 VanDerWaalsContact C-N 3.33Å; I832-N834 PolarHBondContact O-N 3.12Å; I832-R835 PolarHBondContact O-N 3.33Å; I832-G836 PolarHBondContact O-N 2.76Å
833	L	54.9	Low	57.3	Low	55 Å²	55	87.3 Å²	87.3	29%	0.288	46%	0.461	S	S	.	.	H	α-helix	trans	-62.5	-39.4	-179.2	-73.6	166.4	0	0	0	112.1	L829 I837 L869	L829-L833 HydrophobicContact CD2-CD1 4.15Å; L829-L833 WeakPolarHBondContact O-CB 3.08Å; L829-L833 WeakPolarHBondContact O-CD1 3.48Å; L829-L833 VanDerWaalsContact O-CG 3.24Å; L829-L833 WeakPolarHBondContact O-CG 3.36Å; L829-L833 PolarHBondContact O-N 3.02Å; L833-I837 WeakPolarHBondContact O-CD1 3.5Å; L833-I837 WeakPolarHBondContact O-CG1 3.5Å; L833-L869 HydrophobicContact CD1-CD1 3.58Å; L833-L869 HydrophobicContact CD1-CD2 3.77Å; L833-L869 HydrophobicContact CD1-CG 4.34Å
834	N	63.5	Low	57.2	Low	42 Å²	42	86.1 Å²	86.1	23%	0.225	45%	0.453	C	S	.	.	H	α-helix	trans	-83.3	-12.6	179.2	-67.4	-53.7	0	0	0	113.8	E830 I832 Y843 Y844	E830-N834 WeakPolarHBondContact O-CB 3.24Å; E830-N834 PolarHBondContact O-N 2.85Å; E830-N834 PolarHBondContact O-ND2 3.39Å; I832-N834 VanDerWaalsContact C-N 3.33Å; I832-N834 PolarHBondContact O-N 3.12Å; N834-Y843 HydrophobicContact CB-CE2 4.43Å; N834-Y844 PolarHBondContact ND2-O 2.85Å; N834-Y844 PolarHBondContact OD1-N 2.88Å
835	R	56.8	Low	57.7	Low	179 Å²	179	87.2 Å²	87.2	68%	0.675	45%	0.453	S	S	*	.	H	α-helix	trans	-82.1	-30.8	171.4	-93.1	-179.5	168.8	-171.6	-4.1	113.3	Q831 I832 E952	Q831-R835 WeakPolarHBondContact O-CB 3.34Å; Q831-R835 WeakPolarHBondContact O-CG 3.25Å; Q831-R835 PolarHBondContact O-N 2.84Å; Q831-R835 VanDerWaalsContact O-N 3.08Å; I832-R835 PolarHBondContact O-N 3.33Å; R835-E952 IonicContact NH1-OE1 3.75Å; R835-E952 PolarHBondContact NH1-OE1 2.73Å
836	G	48.9	Very low	58.1	Low	63 Å²	63	85.2 Å²	85.2	65%	0.649	44%	0.442	S	S	*	.	S	Bend	trans	-90.7	-6.9	-172.3	0	0	0	0	0	116.2	I832 P838	I832-G836 PolarHBondContact O-N 2.76Å; G836-P838 WeakPolarHBondContact O-CD 3.48Å
837	I	55.9	Low	58.4	Low	61 Å²	61	87.5 Å²	87.5	31%	0.313	46%	0.457	S	S	.	.			trans	-100.5	113.7	-173.9	-61.4	173.9	0	0	0	110.1	L833 K839 Y844	L833-I837 WeakPolarHBondContact O-CD1 3.5Å; L833-I837 WeakPolarHBondContact O-CG1 3.5Å; I837-K839 HydrophobicContact CG2-CB 4.29Å; I837-K839 PolarHBondContact O-N 2.88Å; I837-K839 VanDerWaalsContact O-N 3.13Å; I837-Y844 HydrophobicContact CD1-CD2 3.59Å; I837-Y844 HydrophobicContact CD1-CE2 3.38Å
838	P	46.9	Very low	58.2	Low	136 Å²	136	89 Å²	89	88%	0.883	46%	0.462	S	S	*	.			trans	-73.1	-1.3	-174.7	26.2	-32.6	0	0	0	114.7	G836	G836-P838 WeakPolarHBondContact O-CD 3.48Å
839	K	51.3	Low	58	Low	148 Å²	148	86 Å²	86	64%	0.643	45%	0.452	S	S	*	.			trans	-88.8	110.2	176.9	-75.6	-174.7	175.9	-178.8	0	110.1	I837 S841	I837-K839 HydrophobicContact CG2-CB 4.29Å; I837-K839 PolarHBondContact O-N 2.88Å; I837-K839 VanDerWaalsContact O-N 3.13Å; K839-S841 PolarHBondContact O-N 2.83Å
840	S	54.2	Low	57.5	Low	103 Å²	103	89 Å²	89	72%	0.72	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-3.4	179.1	57.6	0	0	0	0	115.4
841	S	54.9	Low	56.5	Low	83 Å²	83	92.3 Å²	92.3	58%	0.58	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	1	-172.2	65.4	0	0	0	0	114.8	K839	K839-S841 PolarHBondContact O-N 2.83Å
842	V	53.5	Low	55.5	Low	29 Å²	29	89.4 Å²	89.4	18%	0.176	48%	0.476	C	S	.	.			trans	-130.8	123.9	-172.8	-173.1	0	0	0	0	110	Y844 E871	V842-Y844 HydrophobicContact CB-CE2 4.45Å; V842-Y844 HydrophobicContact CG1-CD2 4.2Å; V842-Y844 HydrophobicContact CG1-CE2 3.48Å; V842-Y844 VanDerWaalsContact CG1-CE2 3.48Å; V842-E871 HydrophobicContact CG1-CG 3.7Å; V842-E871 VanDerWaalsContact CG1-OE1 3.31Å; V842-E871 WeakPolarHBondContact CG1-OE1 3.32Å
843	Y	60.9	Low	54.6	Low	101 Å²	101	86.6 Å²	86.6	40%	0.396	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	134.1	178.1	-174.5	-81.4	0	0	0	109.5	N834 T872	N834-Y843 HydrophobicContact CB-CE2 4.43Å; Y843-T872 WeakPolarHBondContact CB-OG1 3.42Å; Y843-T872 HydrophobicContact CD1-CG2 4.26Å; Y843-T872 WeakPolarHBondContact CD1-OG1 3.37Å; Y843-T872 PolarHBondContact O-N 2.86Å; Y843-T872 PolarHBondContact O-OG1 3.11Å
844	Y	60.7	Low	53.9	Low	74 Å²	74	88.2 Å²	88.2	29%	0.29	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	135.5	180	-68.6	-92.5	0	0	0	110.8	N834 I837 V842 E871	N834-Y844 PolarHBondContact ND2-O 2.85Å; N834-Y844 PolarHBondContact OD1-N 2.88Å; I837-Y844 HydrophobicContact CD1-CD2 3.59Å; I837-Y844 HydrophobicContact CD1-CE2 3.38Å; V842-Y844 HydrophobicContact CB-CE2 4.45Å; V842-Y844 HydrophobicContact CG1-CD2 4.2Å; V842-Y844 HydrophobicContact CG1-CE2 3.48Å; V842-Y844 VanDerWaalsContact CG1-CE2 3.48Å; Y844-E871 HydrophobicContact CE1-CB 4.42Å
845	K	69.5	Low	52.4	Low	117 Å²	117	88.9 Å²	88.9	51%	0.509	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	137.4	175.9	-169.1	176.7	-178.7	175.1	0	110.4	E830 T847 L869 K870 T872	E830-K845 WeakPolarHBondContact OE1-CG 3.17Å; K845-T847 PolarHBondContact O-N 2.73Å; K845-L869 CarbonylContact O-C 3.37Å; K845-L869 WeakPolarHBondContact O-CA 3.11Å; K845-K870 PolarHBondContact N-O 2.7Å; K845-K870 PolarHBondContact O-N 2.87Å; K845-T872 HydrophobicContact CB-CG2 3.78Å
846	V	64.7	Low	51.5	Low	15 Å²	15	86.3 Å²	86.3	9%	0.091	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	122.2	170.7	177.5	0	0	0	0	108.2	Q826 E830 L867 L869	Q826-V846 HydrophobicContact CG-CG1 4.3Å; E830-V846 HydrophobicContact CG-CB 4.31Å; E830-V846 HydrophobicContact CG-CG2 3.65Å; E830-V846 WeakPolarHBondContact OE1-CB 3.43Å; E830-V846 PolarHBondContact OE1-N 2.02Å; V846-L867 HydrophobicContact CG1-CB 4.35Å; V846-L867 HydrophobicContact CG1-CD1 4.48Å; V846-L867 HydrophobicContact CG1-CD2 4.24Å; V846-L867 HydrophobicContact CG2-CD1 4.29Å; V846-L869 HydrophobicContact CB-CD2 4.38Å; V846-L869 HydrophobicContact CG2-CD2 3.56Å
847	T	68.4	Low	50.8	Low	72 Å²	72	89.3 Å²	89.3	44%	0.442	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-26.8	-178.3	51	0	0	0	0	113.8	K845 Q868 K870	K845-T847 PolarHBondContact O-N 2.73Å; T847-Q868 PolarHBondContact N-O 3.11Å; T847-Q868 PolarHBondContact OG1-O 3.11Å; T847-K870 HydrophobicContact CG2-CB 3.29Å; T847-K870 HydrophobicContact CG2-CD 3.99Å; T847-K870 HydrophobicContact CG2-CG 4.27Å
848	E	61	Low	50.8	Low	111 Å²	111	90.1 Å²	90.1	52%	0.519	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	141.5	-175.1	-157.4	173.9	-179.5	0	0	112.5	Q868	E848-Q868 HydrophobicContact CB-CB 4.09Å; E848-Q868 PolarHBondContact N-O 3.12Å; E848-Q868 PolarHBondContact O-N 3.44Å
849	N	55.1	Low	50.3	Low	66 Å²	66	93.7 Å²	93.7	35%	0.353	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	109.9	170.1	-71.3	-22.6	0	0	0	109	L822 Q826 L867	L822-N849 WeakPolarHBondContact CD2-ND2 3.09Å; Q826-N849 PolarHBondContact NE2-ND2 3.17Å; Q826-N849 PolarHBondContact NE2-OD1 3.19Å; N849-L867 WeakPolarHBondContact OD1-CD2 3.5Å
850	K	46.1	Very low	49.4	Very low	133 Å²	133	93.4 Å²	93.4	58%	0.578	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	-36.5	-179.4	-73.5	-147.4	173.8	-169.9	0	113.3	I866 Q868	K850-I866 HydrophobicContact CB-CB 4.15Å; K850-I866 HydrophobicContact CB-CG2 3.89Å; K850-I866 PolarHBondContact N-O 3.32Å; K850-Q868 HydrophobicContact CG-CB 4.43Å
851	M	40.7	Very low	48.5	Very low	104 Å²	104	92.3 Å²	92.3	51%	0.512	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168	145.1	-175.9	-169.3	171	-80.5	0	0	111.2	V853 V865 I866	M851-V853 HydrophobicContact CG-CG2 3.64Å; M851-V853 HydrophobicContact SD-CG2 3.53Å; M851-V853 VanDerWaalsContact SD-CG2 3.53Å; M851-V865 CarbonylContact O-C 3.5Å; M851-V865 WeakPolarHBondContact O-CA 3.2Å; M851-I866 HydrophobicContact CB-CB 4.17Å; M851-I866 HydrophobicContact CB-CD1 4.03Å; M851-I866 HydrophobicContact CB-CG1 4.18Å; M851-I866 PolarHBondContact N-O 3.47Å; M851-I866 PolarHBondContact O-N 3.49Å; M851-I866 HydrophobicContact SD-CD1 4.32Å
852	A	40.4	Very low	47.7	Very low	65 Å²	65	92 Å²	92	54%	0.537	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	120.2	161.5	0	0	0	0	0	108.2	V864 V865	A852-V864 CarbonylContact C-O 3.5Å; A852-V864 VanDerWaalsContact CA-O 3.25Å; A852-V864 WeakPolarHBondContact CA-O 3.18Å; A852-V865 HydrophobicContact CB-CG2 4.27Å
853	V	38.1	Very low	46.9	Very low	61 Å²	61	92.9 Å²	92.9	37%	0.37	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	114.8	177.2	-174.5	0	0	0	0	109.2	M851 A863 V864	M851-V853 HydrophobicContact CG-CG2 3.64Å; M851-V853 HydrophobicContact SD-CG2 3.53Å; M851-V853 VanDerWaalsContact SD-CG2 3.53Å; V853-A863 CarbonylContact O-C 3.45Å; V853-A863 WeakPolarHBondContact O-CA 3.4Å; V853-V864 PolarHBondContact N-O 3.02Å; V853-V864 PolarHBondContact O-N 3.41Å
854	T	39.6	Very low	45.8	Very low	90 Å²	90	91.6 Å²	91.6	55%	0.552	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	111.2	170.6	-48.8	0	0	0	0	109.6	T862	T854-T862 CarbonylContact C-O 3.6Å; T854-T862 WeakPolarHBondContact CA-O 2.73Å
855	C	33	Very low	44.9	Very low	55 Å²	55	90.5 Å²	90.5	37%	0.372	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	125.3	171.8	-63	0	0	0	0	109.6	T862	C855-T862 PolarHBondContact N-O 3.2Å; C855-T862 PolarHBondContact O-N 2.94Å
856	N	37	Very low	43.4	Very low	126 Å²	126	88.9 Å²	88.9	67%	0.674	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	119.5	172.5	-68.5	-33.7	0	0	0	109.4	S861	N856-S861 WeakPolarHBondContact OD1-CB 3.37Å
857	I	35.9	Very low	42.6	Very low	125 Å²	125	90 Å²	90	64%	0.641	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	99.7	172.7	-55.3	178.6	0	0	0	107.2	H860	I857-H860 PolarHBondContact N-O 2.72Å; I857-H860 PolarHBondContact O-N 3.42Å
858	G	54	Low	41.6	Very low	79 Å²	79	90.2 Å²	90.2	81%	0.814	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	-128.9	-176.3	0	0	0	0	0	113.1	H860	G858-H860 VanDerWaalsContact C-N 3.28Å
859	K	37.8	Very low	41.1	Very low	210 Å²	210	88.4 Å²	88.4	91%	0.913	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	3	177.1	-69.9	-174.1	178.9	179.5	0	113.7
860	H	31.7	Very low	41.5	Very low	142 Å²	142	91.8 Å²	91.8	66%	0.657	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.6	-177.1	-58.6	-68.5	0	0	0	110.9	I857 G858	I857-H860 PolarHBondContact N-O 2.72Å; I857-H860 PolarHBondContact O-N 3.42Å; G858-H860 VanDerWaalsContact C-N 3.28Å
861	S	36.1	Very low	42.3	Very low	81 Å²	81	90.8 Å²	90.8	57%	0.566	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	129.6	169.7	45.1	0	0	0	0	109.3	N856	N856-S861 WeakPolarHBondContact OD1-CB 3.37Å
862	T	37.4	Very low	43.3	Very low	75 Å²	75	87.3 Å²	87.3	46%	0.46	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	120.9	175.1	-60.5	0	0	0	0	108.8	T854 C855	T854-T862 CarbonylContact C-O 3.6Å; T854-T862 WeakPolarHBondContact CA-O 2.73Å; C855-T862 PolarHBondContact N-O 3.2Å; C855-T862 PolarHBondContact O-N 2.94Å
863	A	37.3	Very low	43.8	Very low	48 Å²	48	92.2 Å²	92.2	40%	0.397	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	126.8	175	0	0	0	0	0	111.1	V853	V853-A863 CarbonylContact O-C 3.45Å; V853-A863 WeakPolarHBondContact O-CA 3.4Å
864	V	37.7	Very low	44.3	Very low	75 Å²	75	93.5 Å²	93.5	46%	0.455	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	115.4	173.2	179.6	0	0	0	0	108.2	A852 V853	A852-V864 CarbonylContact C-O 3.5Å; A852-V864 VanDerWaalsContact CA-O 3.25Å; A852-V864 WeakPolarHBondContact CA-O 3.18Å; V853-V864 PolarHBondContact N-O 3.02Å; V853-V864 PolarHBondContact O-N 3.41Å
865	V	41.5	Very low	44.4	Very low	50 Å²	50	98.1 Å²	98.1	30%	0.303	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.9	179.2	-172.9	0	0	0	0	110.3	L822 M851 A852 L867	L822-V865 HydrophobicContact CD1-CG1 3.91Å; L822-V865 HydrophobicContact CD1-CG2 4.07Å; M851-V865 CarbonylContact O-C 3.5Å; M851-V865 WeakPolarHBondContact O-CA 3.2Å; A852-V865 HydrophobicContact CB-CG2 4.27Å; V865-L867 HydrophobicContact CG1-CD2 3.7Å; V865-L867 HydrophobicContact CG1-CG 4.07Å
866	I	38.9	Very low	44.8	Very low	83 Å²	83	104 Å²	104	43%	0.426	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.6	119.5	175.6	-53.6	-178.9	0	0	0	108.5	K850 M851	K850-I866 HydrophobicContact CB-CB 4.15Å; K850-I866 HydrophobicContact CB-CG2 3.89Å; K850-I866 PolarHBondContact N-O 3.32Å; M851-I866 HydrophobicContact CB-CB 4.17Å; M851-I866 HydrophobicContact CB-CD1 4.03Å; M851-I866 HydrophobicContact CB-CG1 4.18Å; M851-I866 PolarHBondContact N-O 3.47Å; M851-I866 PolarHBondContact O-N 3.49Å; M851-I866 HydrophobicContact SD-CD1 4.32Å
867	L	47.2	Very low	44.7	Very low	39 Å²	39	103.1 Å²	103.1	20%	0.204	56%	0.561	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.2	146.8	-177.6	-58.3	178	0	0	0	111.7	Q826 L829 V846 N849 V865	Q826-L867 HydrophobicContact CG-CD1 4.45Å; Q826-L867 HydrophobicContact CG-CD2 4.28Å; L829-L867 HydrophobicContact CB-CD1 4.45Å; L829-L867 HydrophobicContact CD1-CD1 4.07Å; L829-L867 HydrophobicContact CD2-CD1 4.29Å; V846-L867 HydrophobicContact CG1-CB 4.35Å; V846-L867 HydrophobicContact CG1-CD1 4.48Å; V846-L867 HydrophobicContact CG1-CD2 4.24Å; V846-L867 HydrophobicContact CG2-CD1 4.29Å; N849-L867 WeakPolarHBondContact OD1-CD2 3.5Å; V865-L867 HydrophobicContact CG1-CD2 3.7Å; V865-L867 HydrophobicContact CG1-CG 4.07Å
868	Q	46.6	Very low	44.4	Very low	76 Å²	76	103.8 Å²	103.8	36%	0.355	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.8	129.5	170.8	-174	168	-20.4	0	0	110.2	T847 E848 K850	T847-Q868 PolarHBondContact N-O 3.11Å; T847-Q868 PolarHBondContact OG1-O 3.11Å; E848-Q868 HydrophobicContact CB-CB 4.09Å; E848-Q868 PolarHBondContact N-O 3.12Å; E848-Q868 PolarHBondContact O-N 3.44Å; K850-Q868 HydrophobicContact CG-CB 4.43Å
869	L	50.9	Low	43.4	Very low	74 Å²	74	106.2 Å²	106.2	39%	0.387	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.3	148.1	-178.4	-63.5	164.7	0	0	0	111.1	L833 K845 V846	L833-L869 HydrophobicContact CD1-CD1 3.58Å; L833-L869 HydrophobicContact CD1-CD2 3.77Å; L833-L869 HydrophobicContact CD1-CG 4.34Å; K845-L869 CarbonylContact O-C 3.37Å; K845-L869 WeakPolarHBondContact O-CA 3.11Å; V846-L869 HydrophobicContact CB-CD2 4.38Å; V846-L869 HydrophobicContact CG2-CD2 3.56Å
870	K	64.4	Low	43	Very low	137 Å²	137	105.4 Å²	105.4	60%	0.596	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-130.2	136.9	172.1	-172.6	-178.7	176.9	-179.5	0	110.8	K845 T847	K845-K870 PolarHBondContact N-O 2.7Å; K845-K870 PolarHBondContact O-N 2.87Å; T847-K870 HydrophobicContact CG2-CB 3.29Å; T847-K870 HydrophobicContact CG2-CD 3.99Å; T847-K870 HydrophobicContact CG2-CG 4.27Å
871	E	62.9	Low	43.2	Very low	112 Å²	112	106.7 Å²	106.7	52%	0.523	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.5	134.9	170.5	-176.1	170.2	-173.5	0	0	110.8	V842 Y844	V842-E871 HydrophobicContact CG1-CG 3.7Å; V842-E871 VanDerWaalsContact CG1-OE1 3.31Å; V842-E871 WeakPolarHBondContact CG1-OE1 3.32Å; Y844-E871 HydrophobicContact CE1-CB 4.42Å
872	T	61.5	Low	42.8	Very low	30 Å²	30	105.7 Å²	105.7	18%	0.184	58%	0.582	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.5	153	-179.5	78.8	0	0	0	0	112.2	Y843 K845 C874	Y843-T872 WeakPolarHBondContact CB-OG1 3.42Å; Y843-T872 HydrophobicContact CD1-CG2 4.26Å; Y843-T872 WeakPolarHBondContact CD1-OG1 3.37Å; Y843-T872 PolarHBondContact O-N 2.86Å; Y843-T872 PolarHBondContact O-OG1 3.11Å; K845-T872 HydrophobicContact CB-CG2 3.78Å; T872-C874 VanDerWaalsContact C-N 3.28Å; T872-C874 PolarHBondContact O-N 2.91Å
873	N	51.5	Low	42.4	Very low	169 Å²	169	109 Å²	109	90%	0.904	60%	0.602	S	S	*	*			trans	-86.9	25.9	-175.4	-54.8	-11.3	0	0	0	113.6
874	C	47.4	Very low	42.1	Very low	87 Å²	87	113.1 Å²	113.1	59%	0.588	62%	0.623	S	S	*	*			trans	-91.5	118.1	-171.7	-67.1	0	0	0	0	112.1	T872	T872-C874 VanDerWaalsContact C-N 3.28Å; T872-C874 PolarHBondContact O-N 2.91Å
875	E	42	Very low	41.8	Very low	188 Å²	188	114.7 Å²	114.7	88%	0.879	64%	0.638	S	S	*	*			trans	-81.8	139.8	172.6	-72.3	-176.4	165.5	0	0	112.1	S877	E875-S877 PolarHBondContact O-N 2.87Å
876	K	40.6	Very low	41.2	Very low	177 Å²	177	115 Å²	115	77%	0.77	65%	0.65	S	S	*	*			trans	-77.9	114	179.4	-162.1	178	-173.7	177.8	0	109.9	T878	K876-T878 PolarHBondContact O-N 2.79Å
877	S	34.9	Very low	41.2	Very low	108 Å²	108	119.3 Å²	119.3	76%	0.755	66%	0.663	S	S	*	*			trans	-65.7	123.7	-177.6	67.9	0	0	0	0	112.6	E875	E875-S877 PolarHBondContact O-N 2.87Å
878	T	30.1	Very low	40.3	Very low	140 Å²	140	124.1 Å²	124.1	86%	0.859	69%	0.693	S	S	*	*			trans	-91.1	113.2	172.1	43.8	0	0	0	0	110.9	K876	K876-T878 PolarHBondContact O-N 2.79Å
879	T	33.5	Very low	39.6	Very low	129 Å²	129	122.8 Å²	122.8	79%	0.791	69%	0.686	S	S	*	*			trans	-129	117.1	165.9	-9.5	0	0	0	0	108.8
880	E	29.2	Very low	38.9	Very low	194 Å²	194	130 Å²	130	91%	0.907	72%	0.715	S	S	*	*			trans	-73.1	120.1	178.1	-68.9	179.8	148.3	0	0	111.4
881	I	35.1	Very low	37.5	Very low	168 Å²	168	128.6 Å²	128.6	86%	0.862	71%	0.71	S	S	*	*			trans	-144.1	131.1	158.3	-58.3	-177.2	0	0	0	108.5
882	G	28.8	Very low	35.9	Very low	61 Å²	61	128 Å²	128	63%	0.629	72%	0.724	S	S	*	*			trans	-64.9	145.1	-164	0	0	0	0	0	118.1	T884	G882-T884 PolarHBondContact O-N 2.77Å
883	T	28.4	Very low	34.9	Very low	143 Å²	143	130 Å²	130	88%	0.877	73%	0.73	S	S	*	*	S	Bend	trans	19.2	80	150.1	56.1	0	0	0	0	118.4
884	T	31	Very low	34.3	Very low	135 Å²	135	128 Å²	128	83%	0.828	73%	0.725	S	S	*	*			trans	176.6	115.5	134.4	24.3	0	0	0	0	107.4	G882 G886	G882-T884 PolarHBondContact O-N 2.77Å; T884-G886 PolarHBondContact O-N 2.85Å
885	S	30.6	Very low	33.9	Very low	109 Å²	109	129.6 Å²	129.6	76%	0.762	72%	0.719	S	S	*	*			trans	-69.8	99.9	-177.7	68.1	0	0	0	0	111.2
886	G	29.7	Very low	34	Very low	55 Å²	55	122.2 Å²	122.2	57%	0.567	69%	0.688	S	S	*	*			trans	-96.3	138.1	163.6	0	0	0	0	0	110.6	T884	T884-G886 PolarHBondContact O-N 2.85Å
887	Y	38.9	Very low	34.1	Very low	175 Å²	175	119.3 Å²	119.3	69%	0.686	68%	0.675	S	S	*	*			trans	-108.2	139	171.4	-70	-80.6	0	0	0	110.5
888	V	28.6	Very low	34.4	Very low	140 Å²	140	119.3 Å²	119.3	85%	0.848	67%	0.672	S	S	*	*			trans	-84.4	129.5	-170.7	176.8	0	0	0	0	111.1
889	F	31	Very low	35.1	Very low	47 Å²	47	120.3 Å²	120.3	21%	0.206	67%	0.667	C	S	.	*			trans	-85.9	150.5	166.3	-74.2	-97.8	0	0	0	110.2	E891 F893 F915 A930	F889-E891 CarbonylContact C-O 3.46Å; F889-E891 WeakPolarHBondContact CB-O 3.01Å; F889-E891 CarbonylContact O-C 3.58Å; F889-E891 VanDerWaalsContact O-C 3.28Å; F889-E891 PolarHBondContact O-N 3.1Å; F889-F893 HydrophobicContact CB-CB 4.06Å; F889-F893 HydrophobicContact CD2-CB 3.38Å; F889-F893 HydrophobicContact CD2-CG 4.14Å; F889-F893 HydrophobicContact CE2-CB 4.03Å; F889-F893 HydrophobicContact CE2-CG 4.42Å; F889-F893 HydrophobicContact CG-CB 3.93Å; F889-F915 HydrophobicContact CZ-CZ 4.05Å; F889-A930 HydrophobicContact CE1-CB 3.78Å; F889-A930 HydrophobicContact CZ-CB 4.03Å
890	K	37.3	Very low	35.6	Very low	227 Å²	227	119.4 Å²	119.4	99%	0.987	65%	0.654	S	S	*	*	S	Bend	trans	-61.7	-6.3	174.7	-89.9	179.2	176	173.3	0	114.4
891	E	35.2	Very low	36.4	Very low	107 Å²	107	112.4 Å²	112.4	50%	0.5	62%	0.622	S	S	.	*	S	Bend	trans	-120.1	127.7	153.2	-71.7	169.9	145.4	0	0	106.7	F889 F893 K920 Y921	F889-E891 CarbonylContact C-O 3.46Å; F889-E891 WeakPolarHBondContact CB-O 3.01Å; F889-E891 CarbonylContact O-C 3.58Å; F889-E891 VanDerWaalsContact O-C 3.28Å; F889-E891 PolarHBondContact O-N 3.1Å; E891-F893 PolarHBondContact O-N 2.89Å; E891-K920 IonicContact OE1-NZ 3.17Å; E891-K920 PolarHBondContact OE1-NZ 2.92Å; E891-K920 IonicContact OE2-NZ 2.65Å; E891-K920 PolarHBondContact OE2-NZ 3.41Å; E891-Y921 PolarHBondContact OE2-OH 3.05Å
892	A	29.6	Very low	37.2	Very low	98 Å²	98	108 Å²	108	81%	0.81	61%	0.605	S	S	*	*			trans	-56.4	99.7	-172.5	0	0	0	0	0	112.5	T894	A892-T894 PolarHBondContact O-N 3.04Å
893	F	40.5	Very low	38.4	Very low	73 Å²	73	111.4 Å²	111.4	32%	0.32	61%	0.614	S	S	.	*			trans	-90	96.9	172.9	-134.5	-85.1	0	0	0	108.3	F889 E891 Y895 P916 P918	F889-F893 HydrophobicContact CB-CB 4.06Å; F889-F893 HydrophobicContact CD2-CB 3.38Å; F889-F893 HydrophobicContact CD2-CG 4.14Å; F889-F893 HydrophobicContact CE2-CB 4.03Å; F889-F893 HydrophobicContact CE2-CG 4.42Å; F889-F893 HydrophobicContact CG-CB 3.93Å; E891-F893 PolarHBondContact O-N 2.89Å; F893-Y895 PolarHBondContact O-N 3.13Å; F893-P916 HydrophobicContact CE1-CB 3.97Å; F893-P916 HydrophobicContact CE1-CG 4.23Å; F893-P918 HydrophobicContact CD2-CG 4.45Å; F893-P918 HydrophobicContact CE2-CB 4.46Å; F893-P918 HydrophobicContact CE2-CG 3.25Å; F893-P918 HydrophobicContact CZ-CG 3.31Å
894	T	37.4	Very low	39.9	Very low	128 Å²	128	108.8 Å²	108.8	79%	0.785	60%	0.602	S	S	*	*			trans	-70.7	112.7	168.6	16.2	0	0	0	0	108.1	A892	A892-T894 PolarHBondContact O-N 3.04Å
895	Y	40.3	Very low	41.9	Very low	119 Å²	119	106.7 Å²	106.7	47%	0.467	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-54.8	128.4	163.4	-87.6	-92.3	0	0	0	107.6	F893 K897 P916	F893-Y895 PolarHBondContact O-N 3.13Å; Y895-K897 PolarHBondContact O-N 2.9Å; Y895-P916 HydrophobicContact CE1-CG 4.42Å
896	P	42.5	Very low	44.2	Very low	34 Å²	34	106.8 Å²	106.8	22%	0.221	56%	0.562	C	S	.	*	P	Polyproline II helix	trans	-56.5	136	170.2	6.6	-5.8	0	0	0	107.5	E900 L901	P896-E900 VanDerWaalsContact CA-OE2 3.27Å; P896-E900 WeakPolarHBondContact CA-OE2 3.25Å; P896-E900 HydrophobicContact CB-CB 3.73Å; P896-L901 HydrophobicContact CB-CG 4.43Å; P896-L901 HydrophobicContact CG-CD2 3.95Å; P896-L901 HydrophobicContact CG-CG 4.38Å
897	K	43.8	Very low	46.8	Very low	116 Å²	116	104.2 Å²	104.2	50%	0.504	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-54.7	154	175.5	-67.6	178.9	180	177.1	0	109.1	Y895 E899 E900 L901	Y895-K897 PolarHBondContact O-N 2.9Å; K897-E899 HydrophobicContact CB-CB 4.44Å; K897-E899 PolarHBondContact O-N 3.26Å; K897-E900 HydrophobicContact CB-CG 4.18Å; K897-E900 PolarHBondContact N-OE2 2.94Å; K897-E900 WeakPolarHBondContact O-CA 3.42Å; K897-E900 WeakPolarHBondContact O-CB 3.16Å; K897-E900 PolarHBondContact O-N 2.98Å; K897-L901 PolarHBondContact O-N 3.08Å
898	P	41.3	Very low	48.6	Very low	107 Å²	107	99.5 Å²	99.5	70%	0.695	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-29.1	174.3	-27.6	35.2	0	0	0	113.6
899	E	43.9	Very low	50.6	Low	161 Å²	161	99 Å²	99	75%	0.752	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-27.5	174.9	-51.3	137.8	-122.9	0	0	114	K897	K897-E899 HydrophobicContact CB-CB 4.44Å; K897-E899 PolarHBondContact O-N 3.26Å
900	E	45.5	Very low	52.7	Low	111 Å²	111	97.3 Å²	97.3	52%	0.519	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-14.4	-176	-64.8	171.7	171	0	0	112.8	P896 K897 C902	P896-E900 VanDerWaalsContact CA-OE2 3.27Å; P896-E900 WeakPolarHBondContact CA-OE2 3.25Å; P896-E900 HydrophobicContact CB-CB 3.73Å; K897-E900 HydrophobicContact CB-CG 4.18Å; K897-E900 PolarHBondContact N-OE2 2.94Å; K897-E900 WeakPolarHBondContact O-CA 3.42Å; K897-E900 WeakPolarHBondContact O-CB 3.16Å; K897-E900 PolarHBondContact O-N 2.98Å; E900-C902 PolarHBondContact O-N 3.04Å
901	L	45.4	Very low	54.5	Low	47 Å²	47	91.9 Å²	91.9	25%	0.246	49%	0.486	C	S	.	.			trans	-70.2	92.5	176.5	-78	167.6	0	0	0	110.8	P896 K897 W905 Y913	P896-L901 HydrophobicContact CB-CG 4.43Å; P896-L901 HydrophobicContact CG-CD2 3.95Å; P896-L901 HydrophobicContact CG-CG 4.38Å; K897-L901 PolarHBondContact O-N 3.08Å; L901-W905 HydrophobicContact CD2-CB 4.17Å; L901-W905 HydrophobicContact CD2-CD2 4.46Å; L901-W905 HydrophobicContact CD2-CG 4.3Å; L901-Y913 HydrophobicContact CB-CD1 4.19Å; L901-Y913 HydrophobicContact CB-CE1 3.82Å; L901-Y913 HydrophobicContact CD1-CD1 4.06Å; L901-Y913 HydrophobicContact CD1-CE1 4.14Å; L901-Y913 HydrophobicContact CD1-CG 4.35Å; L901-Y913 HydrophobicContact CD2-CD1 4.17Å; L901-Y913 HydrophobicContact CG-CD1 4.4Å; L901-Y913 HydrophobicContact CG-CE1 4.44Å
902	C	51.1	Low	56.7	Low	74 Å²	74	88.2 Å²	88.2	50%	0.5	47%	0.471	S	S	.	.			trans	-55.6	150.1	175.2	-71.6	0	0	0	0	111.8	E900 S904 W905	E900-C902 PolarHBondContact O-N 3.04Å; C902-S904 VanDerWaalsContact CB-OG 3.29Å; C902-S904 WeakPolarHBondContact CB-OG 3.19Å; C902-S904 PolarHBondContact O-N 2.95Å; C902-W905 WeakPolarHBondContact O-CB 3.29Å; C902-W905 PolarHBondContact O-N 2.76Å
903	T	53.7	Low	59.3	Low	134 Å²	134	88.1 Å²	88.1	82%	0.822	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-17.4	173.8	40	0	0	0	0	114.2	W905	T903-W905 VanDerWaalsContact C-N 3.34Å
904	S	60.7	Low	61.5	Low	88 Å²	88	86.2 Å²	86.2	62%	0.615	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-26	173.5	51	0	0	0	0	114.2	C902	C902-S904 VanDerWaalsContact CB-OG 3.29Å; C902-S904 WeakPolarHBondContact CB-OG 3.19Å; C902-S904 PolarHBondContact O-N 2.95Å
905	W	72.6	Confident	63.8	Low	90 Å²	90	81.2 Å²	81.2	34%	0.341	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-18.9	-180	-75	79.9	0	0	0	113.5	L901 C902 T903 Y913 R914 P916	L901-W905 HydrophobicContact CD2-CB 4.17Å; L901-W905 HydrophobicContact CD2-CD2 4.46Å; L901-W905 HydrophobicContact CD2-CG 4.3Å; C902-W905 WeakPolarHBondContact O-CB 3.29Å; C902-W905 PolarHBondContact O-N 2.76Å; T903-W905 VanDerWaalsContact C-N 3.34Å; W905-Y913 HydrophobicContact CB-CD1 4.2Å; W905-R914 PolarHBondContact O-N 3.49Å; W905-P916 HydrophobicContact CH2-CB 3.67Å; W905-P916 HydrophobicContact CZ3-CB 3.5Å; W905-P916 VanDerWaalsContact CZ3-CB 3.5Å; W905-P916 HydrophobicContact CZ3-CG 4.49Å
906	R	80.1	Confident	65.9	Low	111 Å²	111	76.2 Å²	76.2	42%	0.419	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-75.5	127.5	179.3	-173.4	175.1	171.5	173.3	2.2	110	K908 T910 Y913	R906-K908 PolarHBondContact O-N 2.97Å; R906-T910 VanDerWaalsContact CZ-O 3.24Å; R906-T910 PolarHBondContact NE-O 3.16Å; R906-T910 PolarHBondContact NH2-O 3.25Å; R906-Y913 HydrophobicContact CB-CD1 4.29Å; R906-Y913 HydrophobicContact CB-CE1 4.18Å
907	Y	83.6	Confident	67.8	Low	1 Å²	1	76.1 Å²	76.1	0%	0.004	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-68.1	132.6	177	-173.9	-102.2	0	0	0	110.6	H909 T910 T912 R914 M974 G978 V979 R1071 T1073	Y907-H909 PolarHBondContact O-N 2.79Å; Y907-T910 WeakPolarHBondContact CB-OG1 3.14Å; Y907-T910 HydrophobicContact CD1-CG2 3.72Å; Y907-T910 HydrophobicContact CE1-CG2 4.35Å; Y907-T910 PolarHBondContact O-N 3.15Å; Y907-T910 PolarHBondContact O-OG1 3.02Å; Y907-T912 PolarHBondContact N-O 2.74Å; Y907-R914 VanDerWaalsContact CD2-NH2 3.35Å; Y907-M974 VanDerWaalsContact CB-CE 3.45Å; Y907-M974 HydrophobicContact CD2-CB 4.26Å; Y907-M974 HydrophobicContact CD2-CE 4.18Å; Y907-M974 HydrophobicContact CD2-CG 3.76Å; Y907-M974 HydrophobicContact CE2-CG 4Å; Y907-M974 HydrophobicContact CG-CE 3.89Å; Y907-M974 HydrophobicContact CG-CG 4.15Å; Y907-G978 VanDerWaalsContact OH-CA 3.28Å; Y907-G978 WeakPolarHBondContact OH-CA 3.25Å; Y907-V979 HydrophobicContact CE1-CG1 4.16Å; Y907-V979 PolarHBondContact OH-N 2.8Å; Y907-V979 VanDerWaalsContact OH-N 3.13Å; Y907-R1071 PolarHBondContact OH-O 3.31Å; Y907-T1073 HydrophobicContact CE2-CG2 3.77Å
908	K	76.1	Confident	69.6	Low	76 Å²	76	71.8 Å²	71.8	33%	0.33	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	127.3	-166.1	-161.7	-178.3	-173.8	168.2	0	111.1	R906 T910 A1070 R1071	R906-K908 PolarHBondContact O-N 2.97Å; K908-T910 VanDerWaalsContact C-N 3.3Å; K908-T910 PolarHBondContact O-N 3.39Å; K908-A1070 HydrophobicContact CB-CB 4.36Å; K908-A1070 HydrophobicContact CD-CB 4.41Å; K908-R1071 HydrophobicContact CB-CG 4.4Å; K908-R1071 HydrophobicContact CD-CG 3.72Å
909	H	71.6	Confident	71.4	Confident	131 Å²	131	71.4 Å²	71.4	61%	0.606	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	16	-179	-50.3	-58.5	0	0	0	116.6	Y907	Y907-H909 PolarHBondContact O-N 2.79Å
910	T	74.4	Confident	73.2	Confident	10 Å²	10	68.6 Å²	68.6	6%	0.061	35%	0.348	C	S	.	.	S	Bend	trans	-123.9	169.3	175.1	71.1	0	0	0	0	110.6	R906 Y907 K908 T912	R906-T910 VanDerWaalsContact CZ-O 3.24Å; R906-T910 PolarHBondContact NE-O 3.16Å; R906-T910 PolarHBondContact NH2-O 3.25Å; Y907-T910 WeakPolarHBondContact CB-OG1 3.14Å; Y907-T910 HydrophobicContact CD1-CG2 3.72Å; Y907-T910 HydrophobicContact CE1-CG2 4.35Å; Y907-T910 PolarHBondContact O-N 3.15Å; Y907-T910 PolarHBondContact O-OG1 3.02Å; K908-T910 VanDerWaalsContact C-N 3.3Å; K908-T910 PolarHBondContact O-N 3.39Å; T910-T912 VanDerWaalsContact C-N 3.31Å; T910-T912 PolarHBondContact OG1-N 2.74Å
911	T	76.3	Confident	75.1	Confident	113 Å²	113	65.5 Å²	65.5	69%	0.693	33%	0.332	S	S	*	.	S	Bend	trans	-89	-0.1	167.9	46.1	0	0	0	0	112.6
912	T	80.3	Confident	77	Confident	30 Å²	30	64.9 Å²	64.9	18%	0.184	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-87.5	139.1	-173.9	-53.1	0	0	0	0	111.3	Y907 T910 P934 C946 M974	Y907-T912 PolarHBondContact N-O 2.74Å; T910-T912 VanDerWaalsContact C-N 3.31Å; T910-T912 PolarHBondContact OG1-N 2.74Å; T912-P934 HydrophobicContact CG2-CB 3.79Å; T912-P934 HydrophobicContact CG2-CG 3.67Å; T912-C946 HydrophobicContact CG2-CB 3.8Å; T912-C946 WeakPolarHBondContact OG1-CB 3.24Å; T912-M974 HydrophobicContact CG2-CE 3.99Å
913	Y	83.6	Confident	78.7	Confident	97 Å²	97	69.7 Å²	69.7	38%	0.38	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-96.5	144.6	176.7	-67	-94.8	0	0	0	110.4	L901 W905 R906 P934	L901-Y913 HydrophobicContact CB-CD1 4.19Å; L901-Y913 HydrophobicContact CB-CE1 3.82Å; L901-Y913 HydrophobicContact CD1-CD1 4.06Å; L901-Y913 HydrophobicContact CD1-CE1 4.14Å; L901-Y913 HydrophobicContact CD1-CG 4.35Å; L901-Y913 HydrophobicContact CD2-CD1 4.17Å; L901-Y913 HydrophobicContact CG-CD1 4.4Å; L901-Y913 HydrophobicContact CG-CE1 4.44Å; W905-Y913 HydrophobicContact CB-CD1 4.2Å; R906-Y913 HydrophobicContact CB-CD1 4.29Å; R906-Y913 HydrophobicContact CB-CE1 4.18Å; Y913-P934 WeakPolarHBondContact O-CG 3.39Å
914	R	87.5	Confident	80.2	Confident	32 Å²	32	66 Å²	66	12%	0.121	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-65.3	144.4	170.6	-67.1	176.3	175.6	-86.2	-0.8	109.8	W905 Y907 T972 G973 M974 A1070 N1072	W905-R914 PolarHBondContact O-N 3.49Å; Y907-R914 VanDerWaalsContact CD2-NH2 3.35Å; R914-T972 PolarHBondContact NH1-O 2.9Å; R914-G973 CarbonylContact C-O 3.48Å; R914-G973 VanDerWaalsContact CA-O 3.26Å; R914-G973 WeakPolarHBondContact CA-O 3.09Å; R914-M974 HydrophobicContact CB-CE 4.49Å; R914-M974 HydrophobicContact CG-CB 4.37Å; R914-M974 HydrophobicContact CG-CE 3.96Å; R914-A1070 VanDerWaalsContact NH2-C 3.31Å; R914-A1070 PolarHBondContact NH2-O 2.85Å; R914-N1072 VanDerWaalsContact CZ-O 3.28Å; R914-N1072 PolarHBondContact NH1-O 3.39Å; R914-N1072 PolarHBondContact NH2-O 2.98Å
915	F	86.8	Confident	81.2	Confident	23 Å²	23	66.7 Å²	66.7	10%	0.101	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-64.5	132.4	167.5	-173	-80.8	0	0	0	109.9	F889 V917 A930 Y931 G932 P933 G973	F889-F915 HydrophobicContact CZ-CZ 4.05Å; F915-V917 HydrophobicContact CD1-CG2 4.37Å; F915-V917 PolarHBondContact O-N 3.18Å; F915-A930 VanDerWaalsContact CZ-O 3.22Å; F915-A930 WeakPolarHBondContact CZ-O 3.32Å; F915-Y931 AromaticContact CD1-CD2 3.84Å; F915-Y931 HydrophobicContact CD1-CD2 3.84Å; F915-Y931 AromaticContact CD1-CE2 3.7Å; F915-Y931 HydrophobicContact CD1-CE2 3.7Å; F915-Y931 AromaticContact CE1-CD2 3.85Å; F915-Y931 HydrophobicContact CE1-CD2 3.85Å; F915-Y931 HydrophobicContact CE1-CE2 4.18Å; F915-Y931 HydrophobicContact CG-CE2 4.31Å; F915-G932 WeakPolarHBondContact CD2-O 3.29Å; F915-P933 HydrophobicContact CB-CB 4.09Å; F915-G973 PolarHBondContact N-O 2.83Å; F915-G973 VanDerWaalsContact O-CA 3.29Å; F915-G973 WeakPolarHBondContact O-CA 3.07Å
916	P	83.4	Confident	81.6	Confident	15 Å²	15	64.9 Å²	64.9	10%	0.097	31%	0.308	C	S	.	.			trans	-64.1	115.1	176.4	24.1	-30.5	0	0	0	112.4	F893 Y895 W905 P918	F893-P916 HydrophobicContact CE1-CB 3.97Å; F893-P916 HydrophobicContact CE1-CG 4.23Å; Y895-P916 HydrophobicContact CE1-CG 4.42Å; W905-P916 HydrophobicContact CH2-CB 3.67Å; W905-P916 HydrophobicContact CZ3-CB 3.5Å; W905-P916 VanDerWaalsContact CZ3-CB 3.5Å; W905-P916 HydrophobicContact CZ3-CG 4.49Å; P916-P918 WeakPolarHBondContact O-CD 3.39Å
917	V	82.3	Confident	81.3	Confident	31 Å²	31	67.3 Å²	67.3	19%	0.188	32%	0.324	C	S	.	.			trans	-110.3	102.8	174.4	-174.8	0	0	0	0	108.3	F915 R922 Y931 R971	F915-V917 HydrophobicContact CD1-CG2 4.37Å; F915-V917 PolarHBondContact O-N 3.18Å; V917-R922 HydrophobicContact CG1-CB 4.22Å; V917-Y931 HydrophobicContact CG2-CE2 3.59Å; V917-R971 HydrophobicContact CG1-CB 3.94Å; V917-R971 HydrophobicContact CG2-CB 4.18Å
918	P	81.3	Confident	81	Confident	26 Å²	26	68.2 Å²	68.2	17%	0.169	33%	0.329	C	S	.	.			trans	-54.4	148.7	168.2	-28.5	36.6	0	0	0	111.8	F893 P916 K920 Y921 R922	F893-P918 HydrophobicContact CD2-CG 4.45Å; F893-P918 HydrophobicContact CE2-CB 4.46Å; F893-P918 HydrophobicContact CE2-CG 3.25Å; F893-P918 HydrophobicContact CZ-CG 3.31Å; P916-P918 WeakPolarHBondContact O-CD 3.39Å; P918-K920 HydrophobicContact CB-CG 4.08Å; P918-K920 PolarHBondContact O-N 3.16Å; P918-K920 VanDerWaalsContact O-N 3.16Å; P918-Y921 HydrophobicContact CB-CD2 3.73Å; P918-Y921 HydrophobicContact CB-CE2 4.41Å; P918-Y921 HydrophobicContact CG-CD2 3.64Å; P918-Y921 HydrophobicContact CG-CE2 4.21Å; P918-Y921 CarbonylContact O-C 3.58Å; P918-Y921 WeakPolarHBondContact O-CA 3.48Å; P918-Y921 PolarHBondContact O-N 3.25Å; P918-R922 PolarHBondContact O-N 2.76Å; P918-R922 VanDerWaalsContact O-N 3.09Å
919	E	78.5	Confident	80.4	Confident	98 Å²	98	72 Å²	72	46%	0.458	35%	0.353	S	S	.	.	H	α-helix	trans	-54.4	-40	179.3	-171.3	52.8	-147.7	0	0	112.3	Y921 R922 L1162	E919-Y921 VanDerWaalsContact C-N 3.25Å; E919-Y921 PolarHBondContact O-N 3.18Å; E919-R922 VanDerWaalsContact O-CB 3.32Å; E919-R922 WeakPolarHBondContact O-CB 2.69Å; E919-R922 PolarHBondContact O-N 3.13Å; E919-R922 WeakPolarHBondContact OE2-CD 3.07Å; E919-R922 IonicContact OE2-CZ 3.1Å; E919-R922 IonicContact OE2-NE 3.69Å; E919-R922 IonicContact OE2-NH1 2.91Å; E919-R922 PolarHBondContact OE2-NH1 3.2Å; E919-L1162 WeakPolarHBondContact OE1-CD2 3.37Å
920	K	83.5	Confident	80.3	Confident	103 Å²	103	67.1 Å²	67.1	45%	0.448	34%	0.335	S	S	.	.	H	α-helix	trans	-62.1	-26.9	175.6	66.1	170.5	172.6	170.8	0	114.7	E891 P918 V926	E891-K920 IonicContact OE1-NZ 3.17Å; E891-K920 PolarHBondContact OE1-NZ 2.92Å; E891-K920 IonicContact OE2-NZ 2.65Å; E891-K920 PolarHBondContact OE2-NZ 3.41Å; P918-K920 HydrophobicContact CB-CG 4.08Å; P918-K920 PolarHBondContact O-N 3.16Å; P918-K920 VanDerWaalsContact O-N 3.16Å; K920-V926 WeakPolarHBondContact O-CG2 3.47Å
921	Y	85.5	Confident	80.6	Confident	46 Å²	46	66.8 Å²	66.8	18%	0.18	33%	0.333	C	S	.	.	H	α-helix	trans	-103.1	3.7	179.7	-58.9	-61.3	0	0	0	113.1	E891 P918 E919 V926 I928 R971	E891-Y921 PolarHBondContact OE2-OH 3.05Å; P918-Y921 HydrophobicContact CB-CD2 3.73Å; P918-Y921 HydrophobicContact CB-CE2 4.41Å; P918-Y921 HydrophobicContact CG-CD2 3.64Å; P918-Y921 HydrophobicContact CG-CE2 4.21Å; P918-Y921 CarbonylContact O-C 3.58Å; P918-Y921 WeakPolarHBondContact O-CA 3.48Å; P918-Y921 PolarHBondContact O-N 3.25Å; E919-Y921 VanDerWaalsContact C-N 3.25Å; E919-Y921 PolarHBondContact O-N 3.18Å; Y921-V926 HydrophobicContact CD1-CG1 3.63Å; Y921-V926 HydrophobicContact CE1-CG1 4.06Å; Y921-I928 HydrophobicContact CD1-CB 4.09Å; Y921-I928 HydrophobicContact CD1-CD1 4.26Å; Y921-I928 HydrophobicContact CD1-CG1 3.98Å; Y921-I928 HydrophobicContact CD2-CD1 3.65Å; Y921-I928 HydrophobicContact CD2-CG1 4.11Å; Y921-I928 HydrophobicContact CE1-CG1 4.35Å; Y921-I928 HydrophobicContact CE2-CD1 4.3Å; Y921-I928 HydrophobicContact CE2-CG1 4.43Å; Y921-I928 HydrophobicContact CG-CB 4.28Å; Y921-I928 HydrophobicContact CG-CD1 3.65Å; Y921-I928 HydrophobicContact CG-CG1 3.9Å; Y921-R971 PolarHBondContact O-NH1 3.32Å
922	R	84.9	Confident	80.8	Confident	34 Å²	34	62.5 Å²	62.5	13%	0.128	31%	0.311	C	S	.	.	H	α-helix	trans	-65.4	-41.1	-179.3	-163.9	172.7	-166.8	163.7	-3.1	111.6	V917 P918 E919 G970 R971 L1162	V917-R922 HydrophobicContact CG1-CB 4.22Å; P918-R922 PolarHBondContact O-N 2.76Å; P918-R922 VanDerWaalsContact O-N 3.09Å; E919-R922 VanDerWaalsContact O-CB 3.32Å; E919-R922 WeakPolarHBondContact O-CB 2.69Å; E919-R922 PolarHBondContact O-N 3.13Å; E919-R922 WeakPolarHBondContact OE2-CD 3.07Å; E919-R922 IonicContact OE2-CZ 3.1Å; E919-R922 IonicContact OE2-NE 3.69Å; E919-R922 IonicContact OE2-NH1 2.91Å; E919-R922 PolarHBondContact OE2-NH1 3.2Å; R922-G970 CarbonylContact O-C 3.55Å; R922-G970 WeakPolarHBondContact O-CA 3.38Å; R922-R971 PolarHBondContact O-N 2.98Å; R922-L1162 VanDerWaalsContact CZ-CD2 3.49Å; R922-L1162 VanDerWaalsContact NH1-CD2 3.34Å; R922-L1162 PolarHBondContact NH1-O 3.33Å
923	R	86.1	Confident	81.1	Confident	175 Å²	175	61.2 Å²	61.2	66%	0.66	30%	0.303	S	S	*	.	S	Bend	trans	-70.8	132.8	179.5	-63.9	-176.1	-178.6	-180	1.9	111.2	S925 V926 R971	R923-S925 PolarHBondContact O-N 2.77Å; R923-V926 HydrophobicContact CB-CG2 4.47Å; R923-V926 PolarHBondContact O-N 3.48Å; R923-R971 PolarHBondContact O-NH1 2.86Å
924	W	84.8	Confident	81.1	Confident	56 Å²	56	57.2 Å²	57.2	21%	0.212	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-22.8	174.4	-68.2	111.6	0	0	0	113.9	V926 R966 H967 R971 D1074	W924-V926 PolarHBondContact O-N 2.88Å; W924-R966 HydrophobicContact CZ2-CB 4.09Å; W924-R966 HydrophobicContact CZ2-CG 4.3Å; W924-H967 PolarHBondContact NE1-O 2.85Å; W924-R971 HydrophobicContact CD2-CG 4.19Å; W924-R971 HydrophobicContact CE3-CG 3.89Å; W924-R971 HydrophobicContact CH2-CG 3.82Å; W924-R971 HydrophobicContact CZ2-CG 4.13Å; W924-R971 HydrophobicContact CZ3-CG 3.7Å; W924-D1074 HydrophobicContact CH2-CB 4.12Å; W924-D1074 HydrophobicContact CZ2-CB 4.2Å
925	S	81.2	Confident	81	Confident	102 Å²	102	58.7 Å²	58.7	71%	0.713	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-12.7	177.1	61.3	0	0	0	0	114.5	R923	R923-S925 PolarHBondContact O-N 2.77Å
926	V	82.3	Confident	80.8	Confident	52 Å²	52	57.7 Å²	57.7	32%	0.315	29%	0.293	S	S	.	.	S	Bend	trans	-105.3	124.4	177.7	-171.3	0	0	0	0	107.8	K920 Y921 R923 W924 R971	K920-V926 WeakPolarHBondContact O-CG2 3.47Å; Y921-V926 HydrophobicContact CD1-CG1 3.63Å; Y921-V926 HydrophobicContact CE1-CG1 4.06Å; R923-V926 HydrophobicContact CB-CG2 4.47Å; R923-V926 PolarHBondContact O-N 3.48Å; W924-V926 PolarHBondContact O-N 2.88Å; V926-R971 VanDerWaalsContact O-CZ 3.22Å; V926-R971 PolarHBondContact O-NH1 3.45Å; V926-R971 PolarHBondContact O-NH2 3.08Å
927	E	72.8	Confident	80.4	Confident	163 Å²	163	58.3 Å²	58.3	76%	0.762	30%	0.298	S	S	*	.			trans	-73.5	147.9	176.4	-69.8	-176.1	160.8	0	0	111
928	I	77.9	Confident	79.8	Confident	20 Å²	20	60.1 Å²	60.1	10%	0.103	30%	0.301	C	S	.	.			trans	-143	108.6	174.1	-158.9	-172.1	0	0	0	107.4	Y921 A930 Y931	Y921-I928 HydrophobicContact CD1-CB 4.09Å; Y921-I928 HydrophobicContact CD1-CD1 4.26Å; Y921-I928 HydrophobicContact CD1-CG1 3.98Å; Y921-I928 HydrophobicContact CD2-CD1 3.65Å; Y921-I928 HydrophobicContact CD2-CG1 4.11Å; Y921-I928 HydrophobicContact CE1-CG1 4.35Å; Y921-I928 HydrophobicContact CE2-CD1 4.3Å; Y921-I928 HydrophobicContact CE2-CG1 4.43Å; Y921-I928 HydrophobicContact CG-CB 4.28Å; Y921-I928 HydrophobicContact CG-CD1 3.65Å; Y921-I928 HydrophobicContact CG-CG1 3.9Å; I928-A930 PolarHBondContact O-N 2.91Å; I928-Y931 HydrophobicContact CG2-CD2 4.05Å; I928-Y931 HydrophobicContact CG2-CG 3.86Å; I928-Y931 PolarHBondContact O-N 2.82Å
929	D	64.3	Low	78.7	Confident	156 Å²	156	60 Å²	60	83%	0.834	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-14.1	-166.1	-60.2	-22.7	0	0	0	114.1
930	A	69.1	Low	77.3	Confident	28 Å²	28	58.5 Å²	58.5	23%	0.231	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128	36.4	-177.6	0	0	0	0	0	113.2	F889 F915 I928 G932	F889-A930 HydrophobicContact CE1-CB 3.78Å; F889-A930 HydrophobicContact CZ-CB 4.03Å; F915-A930 VanDerWaalsContact CZ-O 3.22Å; F915-A930 WeakPolarHBondContact CZ-O 3.32Å; I928-A930 PolarHBondContact O-N 2.91Å; A930-G932 PolarHBondContact O-N 3.31Å
931	Y	80.5	Confident	75.3	Confident	3 Å²	3	61.4 Å²	61.4	1%	0.012	32%	0.315	C	S	.	.			trans	-71.7	89.3	175.6	-158.5	-132.3	0	0	0	113.1	F915 V917 I928 P933 V954 R971 G973 D1074	F915-Y931 AromaticContact CD1-CD2 3.84Å; F915-Y931 HydrophobicContact CD1-CD2 3.84Å; F915-Y931 AromaticContact CD1-CE2 3.7Å; F915-Y931 HydrophobicContact CD1-CE2 3.7Å; F915-Y931 AromaticContact CE1-CD2 3.85Å; F915-Y931 HydrophobicContact CE1-CD2 3.85Å; F915-Y931 HydrophobicContact CE1-CE2 4.18Å; F915-Y931 HydrophobicContact CG-CE2 4.31Å; V917-Y931 HydrophobicContact CG2-CE2 3.59Å; I928-Y931 HydrophobicContact CG2-CD2 4.05Å; I928-Y931 HydrophobicContact CG2-CG 3.86Å; I928-Y931 PolarHBondContact O-N 2.82Å; Y931-P933 HydrophobicContact CD1-CG 4.01Å; Y931-P933 HydrophobicContact CE1-CB 4.39Å; Y931-P933 HydrophobicContact CE1-CG 3.57Å; Y931-P933 HydrophobicContact CE2-CB 4.39Å; Y931-P933 HydrophobicContact CE2-CG 4.27Å; Y931-P933 WeakPolarHBondContact O-CD 3.2Å; Y931-V954 WeakPolarHBondContact O-CG1 3.47Å; Y931-R971 HydrophobicContact CD1-CG 4.32Å; Y931-R971 HydrophobicContact CE1-CB 4.13Å; Y931-R971 HydrophobicContact CE1-CG 3.71Å; Y931-R971 HydrophobicContact CE2-CB 4.37Å; Y931-R971 WeakPolarHBondContact OH-CB 3.49Å; Y931-G973 WeakPolarHBondContact OH-CA 3.38Å; Y931-G973 PolarHBondContact OH-N 2.95Å; Y931-D1074 VanDerWaalsContact CE1-OD2 3.27Å; Y931-D1074 WeakPolarHBondContact CE1-OD2 3.46Å; Y931-D1074 PolarHBondContact OH-OD1 2.85Å; Y931-D1074 PolarHBondContact OH-OD2 3.37Å
932	G	80	Confident	73.4	Confident	23 Å²	23	68.9 Å²	68.9	24%	0.237	34%	0.344	C	S	.	.			trans	-112.8	62.4	178.1	0	0	0	0	0	114.3	F915 A930	F915-G932 WeakPolarHBondContact CD2-O 3.29Å; A930-G932 PolarHBondContact O-N 3.31Å
933	P	87	Confident	72	Confident	2 Å²	2	68.7 Å²	68.7	1%	0.013	35%	0.353	C	S	.	.			trans	-64.1	140.4	177.1	30.6	-36.4	0	0	0	111.2	F915 Y931 R975	F915-P933 HydrophobicContact CB-CB 4.09Å; Y931-P933 HydrophobicContact CD1-CG 4.01Å; Y931-P933 HydrophobicContact CE1-CB 4.39Å; Y931-P933 HydrophobicContact CE1-CG 3.57Å; Y931-P933 HydrophobicContact CE2-CB 4.39Å; Y931-P933 HydrophobicContact CE2-CG 4.27Å; Y931-P933 WeakPolarHBondContact O-CD 3.2Å; P933-R975 HydrophobicContact CB-CB 4.37Å; P933-R975 HydrophobicContact CG-CB 4.03Å
934	P	84.2	Confident	70.7	Confident	14 Å²	14	62 Å²	62	9%	0.091	34%	0.338	C	S	.	.			trans	-61	145.7	172.9	18.5	-23.4	0	0	0	111	T912 Y913 M974 R975	T912-P934 HydrophobicContact CG2-CB 3.79Å; T912-P934 HydrophobicContact CG2-CG 3.67Å; Y913-P934 WeakPolarHBondContact O-CG 3.39Å; P934-M974 HydrophobicContact CB-SD 4.26Å; P934-M974 HydrophobicContact CG-CE 3.94Å; P934-M974 HydrophobicContact CG-SD 3.77Å; P934-R975 PolarHBondContact O-N 3.24Å
935	E	84.7	Confident	69.8	Low	62 Å²	62	65.6 Å²	65.6	29%	0.29	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	114.2	179	-176.4	172.8	-173.3	0	0	110.2	C946 T947 L949 R975	E935-C946 CarbonylContact O-C 3.32Å; E935-C946 WeakPolarHBondContact O-CA 3.29Å; E935-T947 PolarHBondContact N-O 3.09Å; E935-T947 PolarHBondContact O-N 2.92Å; E935-T947 PolarHBondContact O-OG1 2.85Å; E935-L949 HydrophobicContact CB-CD1 4.15Å; E935-L949 HydrophobicContact CB-CD2 4.37Å; E935-L949 HydrophobicContact CB-CG 4.28Å; E935-R975 HydrophobicContact CB-CB 4.45Å
936	C	82.2	Confident	69.4	Low	2 Å²	2	62.2 Å²	62.2	1%	0.014	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	131.1	178.7	-71.5	0	0	0	0	111.3	C946 M974 R975 G976 R977 G978	C936-C946 HydrophobicContact CB-CB 4.07Å; C936-C946 WeakPolarHBondContact CB-SG 3.29Å; C936-C946 WeakPolarHBondContact SG-CB 3.37Å; C936-C946 CovalentContact SG-SG 2.03Å; C936-C946 PolarHBondContact SG-SG 3.33Å; C936-M974 HydrophobicContact CB-CG 4.35Å; C936-M974 HydrophobicContact CB-SD 4.16Å; C936-M974 PolarHBondContact SG-SD 2.9Å; C936-R975 PolarHBondContact N-O 2.78Å; C936-G976 CarbonylContact O-C 2.86Å; C936-R977 PolarHBondContact O-N 3.32Å; C936-G978 WeakPolarHBondContact O-CA 3.47Å; C936-G978 PolarHBondContact O-N 3.31Å
937	S	76.1	Confident	68.7	Low	28 Å²	28	63.4 Å²	63.4	20%	0.196	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	138.8	165.5	56.8	0	0	0	0	110.7	Y945	S937-Y945 PolarHBondContact N-O 2.01Å; S937-Y945 WeakPolarHBondContact O-CD1 3.45Å; S937-Y945 PolarHBondContact O-N 3.49Å; S937-Y945 VanDerWaalsContact O-N 3.07Å; S937-Y945 VanDerWaalsContact O-O 3.05Å; S937-Y945 WeakPolarHBondContact OG-CE2 3.27Å; S937-Y945 PolarHBondContact OG-OH 3.38Å; S937-Y945 VanDerWaalsContact OG-OH 3.1Å
938	W	68.5	Low	68.2	Low	69 Å²	69	65.3 Å²	65.3	26%	0.261	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	130.8	-175.9	-168.5	89	0	0	0	111.3	P940 G944 R977 G978 V979	W938-P940 HydrophobicContact CE3-CG 4.38Å; W938-P940 HydrophobicContact CH2-CB 4.09Å; W938-P940 HydrophobicContact CH2-CG 4.4Å; W938-P940 VanDerWaalsContact CZ3-CA 3.49Å; W938-P940 HydrophobicContact CZ3-CB 3.9Å; W938-P940 HydrophobicContact CZ3-CG 3.71Å; W938-G944 VanDerWaalsContact CD1-CA 3.46Å; W938-G944 VanDerWaalsContact CD1-N 3.32Å; W938-R977 PolarHBondContact O-NH2 3.23Å; W938-G978 WeakPolarHBondContact CB-O 3.46Å; W938-G978 PolarHBondContact N-O 3.45Å; W938-G978 VanDerWaalsContact N-O 3.15Å; W938-V979 HydrophobicContact CB-CG1 4.44Å; W938-V979 HydrophobicContact CG-CG1 4.22Å
939	S	58.2	Low	67	Low	23 Å²	23	66.1 Å²	66.1	16%	0.161	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	134	170.6	176.9	0	0	0	0	110.5	H941 Y942 G943	S939-H941 PolarHBondContact O-N 3.22Å; S939-H941 VanDerWaalsContact O-N 3.1Å; S939-H941 PolarHBondContact OG-N 3.46Å; S939-Y942 PolarHBondContact O-N 3.47Å; S939-G943 PolarHBondContact N-O 2.82Å; S939-G943 VanDerWaalsContact N-O 3.11Å; S939-G943 PolarHBondContact O-N 2.79Å
940	P	48.8	Very low	66.4	Low	68 Å²	68	61.1 Å²	61.1	44%	0.442	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-25	175.1	-19.2	26.6	0	0	0	114.6	W938	W938-P940 HydrophobicContact CE3-CG 4.38Å; W938-P940 HydrophobicContact CH2-CB 4.09Å; W938-P940 HydrophobicContact CH2-CG 4.4Å; W938-P940 VanDerWaalsContact CZ3-CA 3.49Å; W938-P940 HydrophobicContact CZ3-CB 3.9Å; W938-P940 HydrophobicContact CZ3-CG 3.71Å
941	H	41.6	Very low	65.4	Low	163 Å²	163	64.7 Å²	64.7	76%	0.755	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-24.5	-174.5	-65.7	-72.3	0	0	0	114	S939	S939-H941 PolarHBondContact O-N 3.22Å; S939-H941 VanDerWaalsContact O-N 3.1Å; S939-H941 PolarHBondContact OG-N 3.46Å
942	Y	46	Very low	64.1	Low	203 Å²	203	70.4 Å²	70.4	80%	0.796	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	-3.7	-172.4	-59.9	-75.2	0	0	0	114	S939	S939-Y942 PolarHBondContact O-N 3.47Å
943	G	56.4	Low	62.6	Low	30 Å²	30	73 Å²	73	31%	0.309	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	79.5	-173	-170.7	0	0	0	0	0	112.5	S939	S939-G943 PolarHBondContact N-O 2.82Å; S939-G943 VanDerWaalsContact N-O 3.11Å; S939-G943 PolarHBondContact O-N 2.79Å
944	G	58.2	Low	60.8	Low	35 Å²	35	73.2 Å²	73.2	36%	0.361	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	119	176	0	0	0	0	0	110.5	W938	W938-G944 VanDerWaalsContact CD1-CA 3.46Å; W938-G944 VanDerWaalsContact CD1-N 3.32Å
945	Y	66.4	Low	59.3	Low	131 Å²	131	78.4 Å²	78.4	51%	0.514	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	134.6	167.7	55.3	-85.1	0	0	0	108.6	S937	S937-Y945 PolarHBondContact N-O 2.01Å; S937-Y945 WeakPolarHBondContact O-CD1 3.45Å; S937-Y945 PolarHBondContact O-N 3.49Å; S937-Y945 VanDerWaalsContact O-N 3.07Å; S937-Y945 VanDerWaalsContact O-O 3.05Å; S937-Y945 WeakPolarHBondContact OG-CE2 3.27Å; S937-Y945 PolarHBondContact OG-OH 3.38Å; S937-Y945 VanDerWaalsContact OG-OH 3.1Å
946	C	71.7	Confident	57.7	Low	31 Å²	31	77.7 Å²	77.7	21%	0.209	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	122.7	176.6	-57.8	0	0	0	0	108.7	T912 E935 C936	T912-C946 HydrophobicContact CG2-CB 3.8Å; T912-C946 WeakPolarHBondContact OG1-CB 3.24Å; E935-C946 CarbonylContact O-C 3.32Å; E935-C946 WeakPolarHBondContact O-CA 3.29Å; C936-C946 HydrophobicContact CB-CB 4.07Å; C936-C946 WeakPolarHBondContact CB-SG 3.29Å; C936-C946 WeakPolarHBondContact SG-CB 3.37Å; C936-C946 CovalentContact SG-SG 2.03Å; C936-C946 PolarHBondContact SG-SG 3.33Å
947	T	67.4	Low	56.2	Low	78 Å²	78	79.4 Å²	79.4	48%	0.479	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	134.7	179.1	31.6	0	0	0	0	110	E935	E935-T947 PolarHBondContact N-O 3.09Å; E935-T947 PolarHBondContact O-N 2.92Å; E935-T947 PolarHBondContact O-OG1 2.85Å
948	K	63.5	Low	55.1	Low	202 Å²	202	80.8 Å²	80.8	88%	0.878	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-75.5	123.6	163.6	-88.8	-174.1	174.5	-176.9	0	107.2
949	L	52.7	Low	54.4	Low	37 Å²	37	83.6 Å²	83.6	19%	0.194	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-81.6	140.6	176.4	-64.8	172.3	0	0	0	109.6	E935 D953 V954 L957	E935-L949 HydrophobicContact CB-CD1 4.15Å; E935-L949 HydrophobicContact CB-CD2 4.37Å; E935-L949 HydrophobicContact CB-CG 4.28Å; L949-D953 HydrophobicContact CB-CB 4Å; L949-D953 HydrophobicContact CD2-CB 4.03Å; L949-V954 HydrophobicContact CB-CG2 3.79Å; L949-V954 HydrophobicContact CD1-CG2 4.49Å; L949-L957 HydrophobicContact CD1-CD1 3.56Å; L949-L957 HydrophobicContact CD2-CD1 3.53Å; L949-L957 HydrophobicContact CG-CD1 4.12Å
950	S	50.9	Low	54.1	Low	52 Å²	52	85.8 Å²	85.8	36%	0.364	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-69.9	162.8	167.5	72.9	0	0	0	0	110.3	E952 D953 V954	S950-E952 PolarHBondContact O-N 3.37Å; S950-D953 VanDerWaalsContact CB-OD2 3.29Å; S950-D953 WeakPolarHBondContact CB-OD2 3.35Å; S950-D953 PolarHBondContact N-OD2 2.78Å; S950-D953 WeakPolarHBondContact O-CB 3.38Å; S950-D953 PolarHBondContact O-N 2.61Å; S950-D953 VanDerWaalsContact O-N 3.15Å; S950-D953 PolarHBondContact OG-N 2.7Å; S950-D953 VanDerWaalsContact OG-N 3.12Å; S950-D953 PolarHBondContact OG-OD2 3.29Å; S950-V954 VanDerWaalsContact O-CG2 3.27Å; S950-V954 WeakPolarHBondContact O-CG2 3.31Å; S950-V954 PolarHBondContact O-N 3.33Å
951	M	49.1	Very low	54.5	Low	103 Å²	103	83.4 Å²	83.4	51%	0.507	43%	0.43	S	S	.	.	H	α-helix	trans	-63.2	-30.5	179.5	-150.8	77.3	82.9	0	0	112.3	V954 Q955	M951-V954 PolarHBondContact O-N 3.09Å; M951-Q955 PolarHBondContact O-N 2.7Å
952	E	52.1	Low	55.7	Low	122 Å²	122	78.5 Å²	78.5	57%	0.57	41%	0.413	S	S	*	.	H	α-helix	trans	-69	-43.4	174.6	-74.1	156.5	-164.9	0	0	110.4	R835 S950 V954 Q955 A956	R835-E952 IonicContact NH1-OE1 3.75Å; R835-E952 PolarHBondContact NH1-OE1 2.73Å; S950-E952 PolarHBondContact O-N 3.37Å; E952-V954 VanDerWaalsContact C-N 3.32Å; E952-V954 PolarHBondContact O-N 3.04Å; E952-Q955 PolarHBondContact O-N 2.95Å; E952-A956 PolarHBondContact O-N 3.25Å
953	D	50	Low	57.1	Low	77 Å²	77	76.3 Å²	76.3	41%	0.412	41%	0.41	S	S	.	.	H	α-helix	trans	-59.9	-44.1	170.9	-60.7	-46.7	0	0	0	110.6	L949 S950 Q955 A956 L957	L949-D953 HydrophobicContact CB-CB 4Å; L949-D953 HydrophobicContact CD2-CB 4.03Å; S950-D953 VanDerWaalsContact CB-OD2 3.29Å; S950-D953 WeakPolarHBondContact CB-OD2 3.35Å; S950-D953 PolarHBondContact N-OD2 2.78Å; S950-D953 WeakPolarHBondContact O-CB 3.38Å; S950-D953 PolarHBondContact O-N 2.61Å; S950-D953 VanDerWaalsContact O-N 3.15Å; S950-D953 PolarHBondContact OG-N 2.7Å; S950-D953 VanDerWaalsContact OG-N 3.12Å; S950-D953 PolarHBondContact OG-OD2 3.29Å; D953-Q955 PolarHBondContact O-N 3.25Å; D953-A956 PolarHBondContact O-N 3.06Å; D953-L957 HydrophobicContact CB-CD1 4.06Å; D953-L957 WeakPolarHBondContact O-CA 3.41Å; D953-L957 WeakPolarHBondContact O-CB 3.44Å; D953-L957 WeakPolarHBondContact O-CD1 3.36Å; D953-L957 VanDerWaalsContact O-CG 3.28Å; D953-L957 WeakPolarHBondContact O-CG 3.3Å; D953-L957 PolarHBondContact O-N 2.77Å
954	V	48.1	Very low	58.2	Low	7 Å²	7	81.3 Å²	81.3	4%	0.042	43%	0.425	C	S	.	.	H	α-helix	trans	-60.7	-41.6	-179.1	166.7	0	0	0	0	112.5	Y931 L949 S950 M951 E952 L957 N958	Y931-V954 WeakPolarHBondContact O-CG1 3.47Å; L949-V954 HydrophobicContact CB-CG2 3.79Å; L949-V954 HydrophobicContact CD1-CG2 4.49Å; S950-V954 VanDerWaalsContact O-CG2 3.27Å; S950-V954 WeakPolarHBondContact O-CG2 3.31Å; S950-V954 PolarHBondContact O-N 3.33Å; M951-V954 PolarHBondContact O-N 3.09Å; E952-V954 VanDerWaalsContact C-N 3.32Å; E952-V954 PolarHBondContact O-N 3.04Å; V954-L957 PolarHBondContact O-N 2.88Å; V954-N958 WeakPolarHBondContact O-CB 3.36Å; V954-N958 PolarHBondContact O-N 3.47Å
955	Q	52.7	Low	59.4	Low	123 Å²	123	82.5 Å²	82.5	58%	0.575	42%	0.421	S	S	*	.	H	α-helix	trans	-68.4	-45.6	178.2	-77.4	179.2	-18.6	0	0	111.9	M951 E952 D953 L957 N958	M951-Q955 PolarHBondContact O-N 2.7Å; E952-Q955 PolarHBondContact O-N 2.95Å; D953-Q955 PolarHBondContact O-N 3.25Å; Q955-L957 VanDerWaalsContact C-N 3.29Å; Q955-L957 PolarHBondContact O-N 3.03Å; Q955-N958 PolarHBondContact O-N 3.01Å
956	A	50.5	Low	60.4	Low	48 Å²	48	80.3 Å²	80.3	40%	0.397	41%	0.412	S	S	.	.	H	α-helix	trans	-66.2	-31.4	174.8	0	0	0	0	0	112.5	E952 D953 S960	E952-A956 PolarHBondContact O-N 3.25Å; D953-A956 PolarHBondContact O-N 3.06Å; A956-S960 PolarHBondContact O-OG 3.37Å; A956-S960 VanDerWaalsContact O-OG 3.05Å
957	L	51.6	Low	61.2	Low	37 Å²	37	79 Å²	79	19%	0.194	40%	0.403	C	S	.	.	H	α-helix	trans	-80.4	-32.2	179.8	-85.3	161.7	0	0	0	112.2	L949 D953 V954 Q955 Q959 S960 R975	L949-L957 HydrophobicContact CD1-CD1 3.56Å; L949-L957 HydrophobicContact CD2-CD1 3.53Å; L949-L957 HydrophobicContact CG-CD1 4.12Å; D953-L957 HydrophobicContact CB-CD1 4.06Å; D953-L957 WeakPolarHBondContact O-CA 3.41Å; D953-L957 WeakPolarHBondContact O-CB 3.44Å; D953-L957 WeakPolarHBondContact O-CD1 3.36Å; D953-L957 VanDerWaalsContact O-CG 3.28Å; D953-L957 WeakPolarHBondContact O-CG 3.3Å; D953-L957 PolarHBondContact O-N 2.77Å; V954-L957 PolarHBondContact O-N 2.88Å; Q955-L957 VanDerWaalsContact C-N 3.29Å; Q955-L957 PolarHBondContact O-N 3.03Å; L957-Q959 PolarHBondContact O-N 2.98Å; L957-S960 WeakPolarHBondContact CA-OG 3.24Å; L957-S960 PolarHBondContact O-N 3.47Å; L957-S960 PolarHBondContact O-OG 2.92Å; L957-R975 VanDerWaalsContact C-NH2 3.34Å; L957-R975 VanDerWaalsContact CB-CZ 3.41Å; L957-R975 VanDerWaalsContact CB-NH2 3.29Å; L957-R975 VanDerWaalsContact O-CZ 3.26Å; L957-R975 PolarHBondContact O-NH1 3.29Å; L957-R975 PolarHBondContact O-NH2 2.71Å
958	N	52.1	Low	61.9	Low	58 Å²	58	85.6 Å²	85.6	31%	0.31	42%	0.418	S	S	.	.	H	α-helix	trans	-64.6	-25.4	176.1	-93.4	-16.8	0	0	0	113	V954 Q955	V954-N958 WeakPolarHBondContact O-CB 3.36Å; V954-N958 PolarHBondContact O-N 3.47Å; Q955-N958 PolarHBondContact O-N 3.01Å
959	Q	53.9	Low	62.7	Low	127 Å²	127	78.5 Å²	78.5	59%	0.593	39%	0.39	S	S	*	.	H	α-helix	trans	-86.2	-19.8	177.2	-63.5	-173.4	48.4	0	0	113.5	E810 L957	E810-Q959 VanDerWaalsContact OE1-CB 3.24Å; E810-Q959 WeakPolarHBondContact OE1-CB 3.37Å; E810-Q959 VanDerWaalsContact OE1-CD 3.24Å; E810-Q959 PolarHBondContact OE1-OE1 3.36Å; E810-Q959 PolarHBondContact OE2-NE2 3.23Å; E810-Q959 PolarHBondContact OE2-OE1 3.19Å; E810-Q959 VanDerWaalsContact OE2-OE1 3.05Å; L957-Q959 PolarHBondContact O-N 2.98Å
960	S	51.7	Low	64.4	Low	70 Å²	70	76.8 Å²	76.8	49%	0.49	38%	0.381	S	S	.	.	H	α-helix	trans	-102.6	-0.7	-170.7	56.3	0	0	0	0	116.9	A956 L957 P962	A956-S960 PolarHBondContact O-OG 3.37Å; A956-S960 VanDerWaalsContact O-OG 3.05Å; L957-S960 WeakPolarHBondContact CA-OG 3.24Å; L957-S960 PolarHBondContact O-N 3.47Å; L957-S960 PolarHBondContact O-OG 2.92Å; S960-P962 WeakPolarHBondContact O-CD 2.96Å
961	I	58.8	Low	66.2	Low	18 Å²	18	75.3 Å²	75.3	9%	0.092	37%	0.368	C	S	.	.	S	Bend	trans	-79	116	172.7	-56.7	171.6	0	0	0	109.5	Q963 F965 R966 R975 N1075	I961-Q963 PolarHBondContact O-N 3.28Å; I961-F965 HydrophobicContact CG2-CB 4.24Å; I961-R966 HydrophobicContact CG2-CG 4.22Å; I961-R975 HydrophobicContact CD1-CG 4.46Å; I961-R975 VanDerWaalsContact CD1-NH1 3.34Å; I961-R975 VanDerWaalsContact CG1-CZ 3.43Å; I961-N1075 WeakPolarHBondContact CD1-ND2 3.03Å; I961-N1075 WeakPolarHBondContact CG2-ND2 3.25Å
962	P	66.6	Low	68.2	Low	60 Å²	60	70.9 Å²	70.9	39%	0.39	35%	0.347	S	S	.	.			trans	-57.1	137.3	172.3	-21.6	33.5	0	0	0	110.7	S960 E964 F965	S960-P962 WeakPolarHBondContact O-CD 2.96Å; P962-E964 HydrophobicContact CB-CG 3.94Å; P962-E964 PolarHBondContact O-N 3.35Å; P962-F965 HydrophobicContact CB-CD2 3.84Å; P962-F965 HydrophobicContact CB-CE2 4.31Å; P962-F965 HydrophobicContact CG-CD2 3.82Å; P962-F965 HydrophobicContact CG-CE2 4.19Å; P962-F965 PolarHBondContact O-N 2.89Å
963	Q	75.4	Confident	70	Confident	157 Å²	157	65.1 Å²	65.1	73%	0.734	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-57.6	-27.8	-174.4	-162	172.8	10	0	0	112.7	I961 F965 R966	I961-Q963 PolarHBondContact O-N 3.28Å; Q963-F965 VanDerWaalsContact C-N 3.26Å; Q963-F965 PolarHBondContact O-N 2.84Å; Q963-R966 PolarHBondContact O-N 2.78Å
964	E	78.2	Confident	71.9	Confident	135 Å²	135	61.4 Å²	61.4	63%	0.631	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-64.9	-22	173.9	65.2	-125	-141.2	0	0	115.1	P962	P962-E964 HydrophobicContact CB-CG 3.94Å; P962-E964 PolarHBondContact O-N 3.35Å
965	F	84.4	Confident	73.8	Confident	60 Å²	60	61.7 Å²	61.7	26%	0.263	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-105.9	26.1	177.5	-57	-59.8	0	0	0	111.8	I961 P962 Q963 L983 N1075	I961-F965 HydrophobicContact CG2-CB 4.24Å; P962-F965 HydrophobicContact CB-CD2 3.84Å; P962-F965 HydrophobicContact CB-CE2 4.31Å; P962-F965 HydrophobicContact CG-CD2 3.82Å; P962-F965 HydrophobicContact CG-CE2 4.19Å; P962-F965 PolarHBondContact O-N 2.89Å; Q963-F965 VanDerWaalsContact C-N 3.26Å; Q963-F965 PolarHBondContact O-N 2.84Å; F965-L983 HydrophobicContact CD1-CB 3.74Å; F965-L983 HydrophobicContact CE1-CB 3.88Å; F965-L983 HydrophobicContact CG-CB 4.36Å; F965-N1075 VanDerWaalsContact O-CA 3.25Å; F965-N1075 WeakPolarHBondContact O-CA 3.38Å; F965-N1075 PolarHBondContact O-ND2 3.07Å; F965-N1075 VanDerWaalsContact O-ND2 3.11Å
966	R	87.4	Confident	75.4	Confident	85 Å²	85	56.1 Å²	56.1	32%	0.321	28%	0.276	S	S	.	.	S	Bend	trans	-93.3	127.4	166.4	-67	-175.8	-175.7	-172.2	-1.3	109.1	W924 I961 Q963 R968 D1074	W924-R966 HydrophobicContact CZ2-CB 4.09Å; W924-R966 HydrophobicContact CZ2-CG 4.3Å; I961-R966 HydrophobicContact CG2-CG 4.22Å; Q963-R966 PolarHBondContact O-N 2.78Å; R966-R968 PolarHBondContact O-N 3.4Å; R966-D1074 CarbonylContact C-O 3.47Å; R966-D1074 WeakPolarHBondContact CA-O 3.49Å
967	H	88.3	Confident	77.1	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.019	27%	0.272	C	S	.	.			trans	-53.9	124.5	175	-172.5	-67.9	0	0	0	109.8	W924 D969 G970 T972 N1072 T1073 D1074 W1077	W924-H967 PolarHBondContact NE1-O 2.85Å; H967-D969 IonicContact CE1-OD2 3.92Å; H967-D969 PolarHBondContact CE1-OD2 2.61Å; H967-D969 PolarHBondContact ND1-N 3.38Å; H967-D969 VanDerWaalsContact ND1-N 3.18Å; H967-D969 PolarHBondContact O-N 3.16Å; H967-D969 VanDerWaalsContact O-N 3.15Å; H967-G970 WeakPolarHBondContact CB-O 3.44Å; H967-G970 PolarHBondContact O-N 3.26Å; H967-T972 HydrophobicContact CB-CG2 4.23Å; H967-N1072 PolarHBondContact NE2-ND2 3.14Å; H967-T1073 PolarHBondContact CD2-O 3.22Å; H967-T1073 VanDerWaalsContact CD2-O 3.32Å; H967-D1074 PolarHBondContact N-O 3.37Å; H967-W1077 HydrophobicContact CB-CE3 4.33Å; H967-W1077 VanDerWaalsContact CD2-CB 3.49Å; H967-W1077 WeakPolarHBondContact CD2-CB 3.41Å
968	R	83	Confident	78.8	Confident	215 Å²	215	56.1 Å²	56.1	81%	0.811	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-33.2	-168.7	-151.2	-179	-146.9	-148.9	4.3	113.4	R966	R966-R968 PolarHBondContact O-N 3.4Å
969	D	80.4	Confident	80.3	Confident	53 Å²	53	54.7 Å²	54.7	28%	0.283	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	1.9	-178	-52.1	-36.5	0	0	0	114.3	H967 W1068	H967-D969 IonicContact CE1-OD2 3.92Å; H967-D969 PolarHBondContact CE1-OD2 2.61Å; H967-D969 PolarHBondContact ND1-N 3.38Å; H967-D969 VanDerWaalsContact ND1-N 3.18Å; H967-D969 PolarHBondContact O-N 3.16Å; H967-D969 VanDerWaalsContact O-N 3.15Å; D969-W1068 HydrophobicContact CB-CZ2 4.16Å; D969-W1068 PolarHBondContact OD2-NE1 3.36Å
970	G	87.4	Confident	81.8	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.01	23%	0.229	C	C	.	.			trans	114.9	-173.9	178.3	0	0	0	0	0	115.3	R922 H967	R922-G970 CarbonylContact O-C 3.55Å; R922-G970 WeakPolarHBondContact O-CA 3.38Å; H967-G970 WeakPolarHBondContact CB-O 3.44Å; H967-G970 PolarHBondContact O-N 3.26Å
971	R	89.6	Confident	82.9	Confident	21 Å²	21	50 Å²	50	8%	0.079	23%	0.227	C	C	.	.			trans	-63.5	134.6	177.5	-68.2	179.7	-170.2	94.4	-0.1	110.8	V917 Y921 R922 R923 W924 V926 Y931	V917-R971 HydrophobicContact CG1-CB 3.94Å; V917-R971 HydrophobicContact CG2-CB 4.18Å; Y921-R971 PolarHBondContact O-NH1 3.32Å; R922-R971 PolarHBondContact O-N 2.98Å; R923-R971 PolarHBondContact O-NH1 2.86Å; W924-R971 HydrophobicContact CD2-CG 4.19Å; W924-R971 HydrophobicContact CE3-CG 3.89Å; W924-R971 HydrophobicContact CH2-CG 3.82Å; W924-R971 HydrophobicContact CZ2-CG 4.13Å; W924-R971 HydrophobicContact CZ3-CG 3.7Å; V926-R971 VanDerWaalsContact O-CZ 3.22Å; V926-R971 PolarHBondContact O-NH1 3.45Å; V926-R971 PolarHBondContact O-NH2 3.08Å; Y931-R971 HydrophobicContact CD1-CG 4.32Å; Y931-R971 HydrophobicContact CE1-CB 4.13Å; Y931-R971 HydrophobicContact CE1-CG 3.71Å; Y931-R971 HydrophobicContact CE2-CB 4.37Å; Y931-R971 WeakPolarHBondContact OH-CB 3.49Å
972	T	90.2	Very high	84	Confident	11 Å²	11	54.9 Å²	54.9	7%	0.067	25%	0.248	C	C	.	.			trans	-110.5	-7.8	-176.1	71.2	0	0	0	0	113.2	R914 H967 M974 W1068 T1073 D1074	R914-T972 PolarHBondContact NH1-O 2.9Å; H967-T972 HydrophobicContact CB-CG2 4.23Å; T972-M974 VanDerWaalsContact C-N 3.33Å; T972-M974 PolarHBondContact OG1-N 3.44Å; T972-M974 PolarHBondContact OG1-O 2.8Å; T972-W1068 HydrophobicContact CG2-CH2 4.03Å; T972-W1068 HydrophobicContact CG2-CZ3 4.43Å; T972-T1073 WeakPolarHBondContact OG1-CA 3.25Å; T972-D1074 WeakPolarHBondContact CA-OD1 3.47Å; T972-D1074 WeakPolarHBondContact CB-OD1 3.46Å; T972-D1074 PolarHBondContact N-OD1 2.71Å; T972-D1074 PolarHBondContact OG1-N 2.77Å; T972-D1074 PolarHBondContact OG1-OD1 3.19Å
973	G	90	Very high	85	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	79.9	14	-176.6	0	0	0	0	0	113.5	R914 F915 Y931	R914-G973 CarbonylContact C-O 3.48Å; R914-G973 VanDerWaalsContact CA-O 3.26Å; R914-G973 WeakPolarHBondContact CA-O 3.09Å; F915-G973 PolarHBondContact N-O 2.83Å; F915-G973 VanDerWaalsContact O-CA 3.29Å; F915-G973 WeakPolarHBondContact O-CA 3.07Å; Y931-G973 WeakPolarHBondContact OH-CA 3.38Å; Y931-G973 PolarHBondContact OH-N 2.95Å
974	M	90.5	Very high	85.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.217	C	C	.	.			trans	-148.6	132.9	-179.2	-166.9	58.8	73.6	0	0	110.6	Y907 T912 R914 P934 C936 T972 T1073 D1074	Y907-M974 VanDerWaalsContact CB-CE 3.45Å; Y907-M974 HydrophobicContact CD2-CB 4.26Å; Y907-M974 HydrophobicContact CD2-CE 4.18Å; Y907-M974 HydrophobicContact CD2-CG 3.76Å; Y907-M974 HydrophobicContact CE2-CG 4Å; Y907-M974 HydrophobicContact CG-CE 3.89Å; Y907-M974 HydrophobicContact CG-CG 4.15Å; T912-M974 HydrophobicContact CG2-CE 3.99Å; R914-M974 HydrophobicContact CB-CE 4.49Å; R914-M974 HydrophobicContact CG-CB 4.37Å; R914-M974 HydrophobicContact CG-CE 3.96Å; P934-M974 HydrophobicContact CB-SD 4.26Å; P934-M974 HydrophobicContact CG-CE 3.94Å; P934-M974 HydrophobicContact CG-SD 3.77Å; C936-M974 HydrophobicContact CB-CG 4.35Å; C936-M974 HydrophobicContact CB-SD 4.16Å; C936-M974 PolarHBondContact SG-SD 2.9Å; T972-M974 VanDerWaalsContact C-N 3.33Å; T972-M974 PolarHBondContact OG1-N 3.44Å; T972-M974 PolarHBondContact OG1-O 2.8Å; M974-T1073 HydrophobicContact CB-CG2 4.18Å; M974-T1073 HydrophobicContact CG-CG2 3.94Å; M974-T1073 CarbonylContact O-C 3.48Å; M974-T1073 WeakPolarHBondContact O-CA 3.13Å; M974-T1073 VanDerWaalsContact O-CB 3.32Å; M974-T1073 WeakPolarHBondContact O-CB 3.28Å; M974-D1074 WeakPolarHBondContact O-CB 3.48Å; M974-D1074 VanDerWaalsContact O-CG 3.23Å; M974-D1074 PolarHBondContact O-N 3.27Å
975	R	87.8	Confident	86.1	Confident	12 Å²	12	43.6 Å²	43.6	5%	0.045	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	163.4	-175.1	-156.9	176.1	156.1	132.8	4.4	111.8	P933 P934 E935 C936 L957 I961 N1075	P933-R975 HydrophobicContact CB-CB 4.37Å; P933-R975 HydrophobicContact CG-CB 4.03Å; P934-R975 PolarHBondContact O-N 3.24Å; E935-R975 HydrophobicContact CB-CB 4.45Å; C936-R975 PolarHBondContact N-O 2.78Å; L957-R975 VanDerWaalsContact C-NH2 3.34Å; L957-R975 VanDerWaalsContact CB-CZ 3.41Å; L957-R975 VanDerWaalsContact CB-NH2 3.29Å; L957-R975 VanDerWaalsContact O-CZ 3.26Å; L957-R975 PolarHBondContact O-NH1 3.29Å; L957-R975 PolarHBondContact O-NH2 2.71Å; I961-R975 HydrophobicContact CD1-CG 4.46Å; I961-R975 VanDerWaalsContact CD1-NH1 3.34Å; I961-R975 VanDerWaalsContact CG1-CZ 3.43Å; R975-N1075 WeakPolarHBondContact CG-OD1 3.38Å
976	G	86	Confident	86.3	Confident	7 Å²	7	41.1 Å²	41.1	7%	0.072	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85.6	-172.2	-179.4	0	0	0	0	0	113.3	C936 G978 T1073 N1075	C936-G976 CarbonylContact O-C 2.86Å; G976-G978 VanDerWaalsContact C-N 3.29Å; G976-G978 PolarHBondContact O-N 2.89Å; G976-T1073 WeakPolarHBondContact O-CB 3.13Å; G976-T1073 PolarHBondContact O-OG1 2.87Å; G976-N1075 PolarHBondContact N-OD1 3.38Å
977	R	86.4	Confident	86.1	Confident	83 Å²	83	40.2 Å²	40.2	31%	0.313	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	-25.3	-179.4	-174.1	178	71.7	177.5	-9.1	112.9	C936 W938 N980 Q981 L983	C936-R977 PolarHBondContact O-N 3.32Å; W938-R977 PolarHBondContact O-NH2 3.23Å; R977-N980 WeakPolarHBondContact CD-O 3.4Å; R977-N980 HydrophobicContact CG-CB 4.49Å; R977-N980 VanDerWaalsContact CG-O 3.25Å; R977-N980 WeakPolarHBondContact CG-O 3.32Å; R977-N980 PolarHBondContact NE-O 3.48Å; R977-N980 WeakPolarHBondContact O-CB 3.36Å; R977-N980 PolarHBondContact O-N 3.03Å; R977-Q981 WeakPolarHBondContact CD-O 3.44Å; R977-Q981 PolarHBondContact NH1-O 3.36Å; R977-L983 HydrophobicContact CB-CD2 3.88Å
978	G	87.5	Confident	85.8	Confident	1 Å²	1	41 Å²	41	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.8	-138.9	-170.5	0	0	0	0	0	111.8	Y907 C936 W938 G976 N980	Y907-G978 VanDerWaalsContact OH-CA 3.28Å; Y907-G978 WeakPolarHBondContact OH-CA 3.25Å; C936-G978 WeakPolarHBondContact O-CA 3.47Å; C936-G978 PolarHBondContact O-N 3.31Å; W938-G978 WeakPolarHBondContact CB-O 3.46Å; W938-G978 PolarHBondContact N-O 3.45Å; W938-G978 VanDerWaalsContact N-O 3.15Å; G976-G978 VanDerWaalsContact C-N 3.29Å; G976-G978 PolarHBondContact O-N 2.89Å; G978-N980 VanDerWaalsContact C-N 3.31Å
979	V	83	Confident	85.5	Confident	28 Å²	28	31.2 Å²	31.2	17%	0.17	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	1.4	178.8	-59.6	0	0	0	0	114.6	Y907 W938 R1071	Y907-V979 HydrophobicContact CE1-CG1 4.16Å; Y907-V979 PolarHBondContact OH-N 2.8Å; Y907-V979 VanDerWaalsContact OH-N 3.13Å; W938-V979 HydrophobicContact CB-CG1 4.44Å; W938-V979 HydrophobicContact CG-CG1 4.22Å; V979-R1071 HydrophobicContact CG2-CB 3.81Å; V979-R1071 HydrophobicContact CG2-CG 3.45Å; V979-R1071 VanDerWaalsContact CG2-CG 3.45Å
980	N	84.8	Confident	85.3	Confident	3 Å²	3	30 Å²	30	2%	0.016	15%	0.148	C	C	.	.	S	Bend	trans	-77.6	163.2	179.4	-76.4	-44.1	0	0	0	112	R977 G978 N986 Y988 R1071 A1076	R977-N980 WeakPolarHBondContact CD-O 3.4Å; R977-N980 HydrophobicContact CG-CB 4.49Å; R977-N980 VanDerWaalsContact CG-O 3.25Å; R977-N980 WeakPolarHBondContact CG-O 3.32Å; R977-N980 PolarHBondContact NE-O 3.48Å; R977-N980 WeakPolarHBondContact O-CB 3.36Å; R977-N980 PolarHBondContact O-N 3.03Å; G978-N980 VanDerWaalsContact C-N 3.31Å; N980-N986 HydrophobicContact CB-CB 4.46Å; N980-Y988 PolarHBondContact OD1-OH 2.86Å; N980-R1071 PolarHBondContact ND2-O 3.33Å; N980-A1076 HydrophobicContact CB-CB 4.04Å
981	Q	75.5	Confident	84.6	Confident	95 Å²	95	30 Å²	30	44%	0.444	15%	0.147	S	C	.	.	S	Bend	trans	-77.7	-35.1	-175.2	-68.9	-175.7	-5	0	0	112.5	R977 N986	R977-Q981 WeakPolarHBondContact CD-O 3.44Å; R977-Q981 PolarHBondContact NH1-O 3.36Å; Q981-N986 PolarHBondContact N-OD1 3.39Å
982	K	82.6	Confident	84.1	Confident	122 Å²	122	30.3 Å²	30.3	53%	0.53	15%	0.15	S	C	.	.	S	Bend	trans	-141.2	163.8	179.1	61	179.5	-172.3	177.9	0	111.8	S985 N986	K982-S985 WeakPolarHBondContact CE-O 3.4Å; K982-N986 PolarHBondContact N-OD1 2.85Å; K982-N986 VanDerWaalsContact N-OD1 3.08Å; K982-N986 PolarHBondContact O-ND2 2.97Å; K982-N986 PolarHBondContact O-OD1 2.78Å
983	L	86	Confident	83.5	Confident	78 Å²	78	29.9 Å²	29.9	41%	0.408	15%	0.148	S	C	.	.	S	Bend	trans	-65.8	155	166.5	-62.1	174.4	0	0	0	110.1	F965 R977 N1075	F965-L983 HydrophobicContact CD1-CB 3.74Å; F965-L983 HydrophobicContact CE1-CB 3.88Å; F965-L983 HydrophobicContact CG-CB 4.36Å; R977-L983 HydrophobicContact CB-CD2 3.88Å; L983-N1075 HydrophobicContact CD2-CB 3.78Å
984	G	89.4	Confident	83	Confident	6 Å²	6	31.8 Å²	31.8	6%	0.062	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.2	-146.2	-175.1	0	0	0	0	0	113.6	N986 N1075 A1076 W1077	G984-N986 PolarHBondContact O-ND2 3.07Å; G984-N1075 PolarHBondContact N-O 2.78Å; G984-A1076 WeakPolarHBondContact O-CA 3.46Å; G984-W1077 PolarHBondContact O-N 2.9Å
985	S	88.3	Confident	82.4	Confident	31 Å²	31	33.5 Å²	33.5	22%	0.217	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	128.3	-179.8	162.2	0	0	0	0	112.5	K982 D1079	K982-S985 WeakPolarHBondContact CE-O 3.4Å; S985-D1079 VanDerWaalsContact CB-OD2 3.26Å; S985-D1079 WeakPolarHBondContact CB-OD2 3.45Å; S985-D1079 PolarHBondContact OG-OD2 3.25Å
986	N	88.1	Confident	82	Confident	7 Å²	7	38.4 Å²	38.4	4%	0.037	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	113.9	171.9	-69	-102.6	0	0	0	109	N980 Q981 K982 G984 Y988 W1077 M1078 D1079	N980-N986 HydrophobicContact CB-CB 4.46Å; Q981-N986 PolarHBondContact N-OD1 3.39Å; K982-N986 PolarHBondContact N-OD1 2.85Å; K982-N986 VanDerWaalsContact N-OD1 3.08Å; K982-N986 PolarHBondContact O-ND2 2.97Å; K982-N986 PolarHBondContact O-OD1 2.78Å; G984-N986 PolarHBondContact O-ND2 3.07Å; N986-Y988 HydrophobicContact CB-CD2 4.45Å; N986-Y988 HydrophobicContact CB-CE2 3.93Å; N986-Y988 VanDerWaalsContact O-CD2 3.31Å; N986-Y988 WeakPolarHBondContact O-CD2 3.4Å; N986-Y988 PolarHBondContact O-N 3.16Å; N986-W1077 WeakPolarHBondContact CB-O 3.37Å; N986-W1077 PolarHBondContact N-O 3.21Å; N986-W1077 PolarHBondContact ND2-O 2.94Å; N986-M1078 WeakPolarHBondContact O-CA 3.33Å; N986-D1079 PolarHBondContact O-N 2.83Å
987	I	82.7	Confident	81.4	Confident	67 Å²	67	39.3 Å²	39.3	34%	0.344	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	126.1	-176	-56.5	176.7	0	0	0	109.6	S1023 D1079 Y1081	I987-S1023 VanDerWaalsContact CG2-CB 3.44Å; I987-S1023 WeakPolarHBondContact O-CB 3.4Å; I987-S1023 PolarHBondContact O-N 3.21Å; I987-D1079 CarbonylContact C-O 3.53Å; I987-D1079 WeakPolarHBondContact CA-O 3.4Å; I987-Y1081 HydrophobicContact CG1-CE2 4.38Å; I987-Y1081 HydrophobicContact CG2-CD2 3.6Å; I987-Y1081 HydrophobicContact CG2-CE2 3.81Å
988	Y	82.9	Confident	80.8	Confident	19 Å²	19	40.4 Å²	40.4	8%	0.075	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	136.7	170	-73.5	-101.6	0	0	0	110.5	N980 N986 L1020 F1021 P1022 R1071 M1078 D1079 L1080 Y1081	N980-Y988 PolarHBondContact OD1-OH 2.86Å; N986-Y988 HydrophobicContact CB-CD2 4.45Å; N986-Y988 HydrophobicContact CB-CE2 3.93Å; N986-Y988 VanDerWaalsContact O-CD2 3.31Å; N986-Y988 WeakPolarHBondContact O-CD2 3.4Å; N986-Y988 PolarHBondContact O-N 3.16Å; Y988-L1020 HydrophobicContact CD1-CD1 4.49Å; Y988-L1020 HydrophobicContact CD1-CD2 4.34Å; Y988-L1020 HydrophobicContact CD1-CG 4.15Å; Y988-F1021 CarbonylContact C-O 3.4Å; Y988-F1021 WeakPolarHBondContact CA-O 3.26Å; Y988-P1022 HydrophobicContact CD1-CB 4.3Å; Y988-P1022 HydrophobicContact CD1-CG 4.4Å; Y988-P1022 HydrophobicContact CE1-CB 4.06Å; Y988-P1022 HydrophobicContact CE1-CG 3.98Å; Y988-R1071 VanDerWaalsContact CE1-NH1 3.32Å; Y988-R1071 PolarHBondContact OH-NH1 2.86Å; Y988-M1078 HydrophobicContact CD1-CE 3.68Å; Y988-M1078 HydrophobicContact CD2-CB 4.2Å; Y988-M1078 HydrophobicContact CD2-CE 3.21Å; Y988-M1078 HydrophobicContact CD2-CG 3.84Å; Y988-M1078 HydrophobicContact CD2-SD 4.21Å; Y988-M1078 HydrophobicContact CE1-CE 3.92Å; Y988-M1078 HydrophobicContact CE2-CB 4.42Å; Y988-M1078 HydrophobicContact CE2-CE 3.49Å; Y988-M1078 VanDerWaalsContact CE2-CE 3.49Å; Y988-M1078 HydrophobicContact CE2-CG 3.61Å; Y988-M1078 HydrophobicContact CE2-SD 3.99Å; Y988-M1078 HydrophobicContact CG-CE 3.3Å; Y988-D1079 PolarHBondContact N-O 3.33Å; Y988-L1080 CarbonylContact O-C 3.47Å; Y988-L1080 WeakPolarHBondContact O-CA 3.49Å; Y988-Y1081 PolarHBondContact O-N 3.17Å
989	S	76.2	Confident	80.1	Confident	10 Å²	10	47.7 Å²	47.7	7%	0.07	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	127.6	174.4	-58.5	0	0	0	0	110.6	F1021 Y1081	S989-F1021 PolarHBondContact N-O 3.48Å; S989-F1021 PolarHBondContact O-N 3.33Å; S989-Y1081 WeakPolarHBondContact CA-O 3.36Å
990	H	76.5	Confident	79.8	Confident	29 Å²	29	48.7 Å²	48.7	13%	0.134	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.6	175.2	179.3	-145	0	0	0	108.7	M1018 P1019 L1020 L1080 Y1081 S1082 H1083	H990-M1018 WeakPolarHBondContact CE1-CE 3.44Å; H990-M1018 WeakPolarHBondContact NE2-CB 3.15Å; H990-M1018 WeakPolarHBondContact NE2-CE 3.34Å; H990-P1019 PolarHBondContact CD2-O 3.26Å; H990-L1020 HydrophobicContact CB-CD1 4.14Å; H990-L1080 HydrophobicContact CB-CD1 3.67Å; H990-L1080 HydrophobicContact CB-CD2 4.35Å; H990-L1080 HydrophobicContact CB-CG 4.16Å; H990-Y1081 PolarHBondContact N-O 2.87Å; H990-S1082 PolarHBondContact ND1-OG 2.79Å; H990-S1082 CarbonylContact O-C 3.56Å; H990-S1082 VanDerWaalsContact O-CA 3.25Å; H990-S1082 WeakPolarHBondContact O-CA 3.34Å; H990-H1083 PolarHBondContact O-N 3.16Å
991	L	73.7	Confident	79.5	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	115.7	-169.3	-63.1	179.8	0	0	0	111.1	I993 P1019 F1021 P1027 F1028 H1083	L991-I993 HydrophobicContact CB-CD1 4.16Å; L991-I993 HydrophobicContact CB-CG1 4.09Å; L991-P1019 PolarHBondContact N-O 3.41Å; L991-P1019 WeakPolarHBondContact O-CD 3.17Å; L991-F1021 HydrophobicContact CD1-CD2 4.01Å; L991-F1021 HydrophobicContact CD1-CE2 3.89Å; L991-F1021 HydrophobicContact CG-CD2 4.35Å; L991-F1021 HydrophobicContact CG-CE2 4.39Å; L991-P1027 HydrophobicContact CD1-CB 3.75Å; L991-P1027 HydrophobicContact CD1-CG 4.2Å; L991-F1028 HydrophobicContact CD1-CD2 4.4Å; L991-F1028 HydrophobicContact CD1-CE1 4.15Å; L991-F1028 HydrophobicContact CD1-CE2 3.56Å; L991-F1028 HydrophobicContact CD1-CZ 3.39Å; L991-H1083 HydrophobicContact CD2-CB 3.87Å
992	L	77.3	Confident	79.6	Confident	27 Å²	27	53.4 Å²	53.4	14%	0.141	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	103.1	167.1	179.1	58.1	0	0	0	108.6	L994 V1004 M1018 H1083 V1084 I1085 L1115	L992-L994 HydrophobicContact CD1-CD2 4.14Å; L992-L994 HydrophobicContact CD1-CG 4.47Å; L992-L994 HydrophobicContact CG-CD1 4.49Å; L992-L994 HydrophobicContact CG-CD2 4.44Å; L992-L994 HydrophobicContact CG-CG 4.26Å; L992-V1004 HydrophobicContact CD1-CG2 3.79Å; L992-M1018 HydrophobicContact CD1-SD 4.15Å; L992-H1083 PolarHBondContact N-O 2.8Å; L992-V1084 HydrophobicContact CB-CG2 3.91Å; L992-V1084 HydrophobicContact CD2-CG2 3.85Å; L992-V1084 HydrophobicContact CG-CG2 4.16Å; L992-V1084 WeakPolarHBondContact O-CA 3.45Å; L992-I1085 PolarHBondContact O-N 3.25Å; L992-L1115 HydrophobicContact CD1-CD2 4.32Å
993	I	78.6	Confident	79.7	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.015	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	119.5	-176.7	-58.2	163.8	0	0	0	108.9	L991 V1004 L1005 F1028 I1085 L1091 W1104	L991-I993 HydrophobicContact CB-CD1 4.16Å; L991-I993 HydrophobicContact CB-CG1 4.09Å; I993-V1004 WeakPolarHBondContact O-CA 3.49Å; I993-L1005 HydrophobicContact CB-CB 3.94Å; I993-L1005 HydrophobicContact CD1-CB 4.49Å; I993-L1005 HydrophobicContact CD1-CD2 3.62Å; I993-L1005 HydrophobicContact CG2-CB 4.4Å; I993-L1005 PolarHBondContact O-N 2.86Å; I993-F1028 HydrophobicContact CD1-CE1 3.63Å; I993-F1028 HydrophobicContact CD1-CZ 4.22Å; I993-F1028 HydrophobicContact CG1-CE1 4.48Å; I993-I1085 WeakPolarHBondContact CA-O 3.32Å; I993-I1085 HydrophobicContact CG1-CB 4.35Å; I993-I1085 HydrophobicContact CG1-CD1 4.42Å; I993-I1085 HydrophobicContact CG1-CG1 4.29Å; I993-L1091 HydrophobicContact CG2-CD1 4.09Å; I993-L1091 HydrophobicContact CG2-CD2 3.63Å; I993-W1104 HydrophobicContact CG2-CH2 3.69Å; I993-W1104 HydrophobicContact CG2-CZ3 4.15Å
994	L	79	Confident	79.5	Confident	40 Å²	40	45.5 Å²	45.5	21%	0.209	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.4	-176.9	-59.9	174.2	0	0	0	109.3	L992 Q1003 V1004 I1085 S1086 L1091 I1107	L992-L994 HydrophobicContact CD1-CD2 4.14Å; L992-L994 HydrophobicContact CD1-CG 4.47Å; L992-L994 HydrophobicContact CG-CD1 4.49Å; L992-L994 HydrophobicContact CG-CD2 4.44Å; L992-L994 HydrophobicContact CG-CG 4.26Å; L994-Q1003 WeakPolarHBondContact CA-O 3.31Å; L994-V1004 HydrophobicContact CD2-CB 3.97Å; L994-V1004 HydrophobicContact CD2-CG2 3.98Å; L994-I1085 PolarHBondContact N-O 2.94Å; L994-S1086 WeakPolarHBondContact O-CA 3.21Å; L994-L1091 WeakPolarHBondContact O-CD1 3.3Å; L994-I1107 HydrophobicContact CD2-CD1 3.95Å
995	K	78.9	Confident	79.2	Confident	36 Å²	36	45.4 Å²	45.4	16%	0.157	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	158.9	171.7	78.3	171.9	-177.1	-174.9	0	111.7	K1002 Q1003 L1091 W1104	K995-K1002 WeakPolarHBondContact O-CA 3.32Å; K995-Q1003 HydrophobicContact CG-CB 4.05Å; K995-Q1003 PolarHBondContact N-O 2.75Å; K995-Q1003 PolarHBondContact O-N 3.22Å; K995-L1091 HydrophobicContact CB-CB 4.02Å; K995-L1091 HydrophobicContact CB-CD1 4.25Å; K995-W1104 HydrophobicContact CB-CH2 3.99Å; K995-W1104 HydrophobicContact CB-CZ3 4.03Å; K995-W1104 HydrophobicContact CD-CD2 3.89Å; K995-W1104 HydrophobicContact CD-CE3 3.98Å; K995-W1104 HydrophobicContact CD-CH2 3.72Å; K995-W1104 HydrophobicContact CD-CZ2 3.64Å; K995-W1104 HydrophobicContact CD-CZ3 3.9Å; K995-W1104 VanDerWaalsContact CE-CD2 3.46Å; K995-W1104 HydrophobicContact CG-CD2 4.28Å; K995-W1104 HydrophobicContact CG-CE3 3.86Å; K995-W1104 HydrophobicContact CG-CH2 3.82Å; K995-W1104 HydrophobicContact CG-CZ2 4.27Å; K995-W1104 HydrophobicContact CG-CZ3 3.61Å; K995-W1104 VanDerWaalsContact NZ-CD1 3.34Å; K995-W1104 VanDerWaalsContact NZ-NE1 3.17Å
996	K	78	Confident	78.9	Confident	114 Å²	114	44 Å²	44	50%	0.496	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	140.7	164.3	-69.7	177.1	-171.9	159.5	0	111.3	D1001 D1088	K996-D1001 CarbonylContact C-O 3.54Å; K996-D1001 WeakPolarHBondContact CA-O 3.39Å; K996-D1088 PolarHBondContact N-OD1 3.05Å; K996-D1088 VanDerWaalsContact N-OD1 3.16Å
997	T	74.4	Confident	78.3	Confident	26 Å²	26	48.4 Å²	48.4	16%	0.16	26%	0.258	C	S	.	.			trans	-76.2	167.5	166.6	68.4	0	0	0	0	110.1	Q999 G1000 D1001 Q1003	T997-Q999 PolarHBondContact O-N 3.08Å; T997-Q999 PolarHBondContact OG1-N 3.04Å; T997-Q999 PolarHBondContact OG1-OE1 3.3Å; T997-G1000 PolarHBondContact O-N 2.8Å; T997-G1000 PolarHBondContact OG1-N 3.44Å; T997-D1001 HydrophobicContact CG2-CB 4.09Å; T997-D1001 PolarHBondContact N-O 3.25Å; T997-D1001 WeakPolarHBondContact OG1-CB 3.3Å; T997-D1001 PolarHBondContact OG1-N 3.33Å; T997-D1001 PolarHBondContact OG1-O 3.49Å; T997-Q1003 HydrophobicContact CG2-CG 3.8Å
998	A	73	Confident	78.2	Confident	106 Å²	106	49.1 Å²	49.1	88%	0.876	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-27	173.3	0	0	0	0	0	112.7	G1000	A998-G1000 VanDerWaalsContact C-N 3.31Å
999	Q	74.2	Confident	77.7	Confident	154 Å²	154	52.8 Å²	52.8	72%	0.72	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-4	176.1	-62.9	80.2	9.6	0	0	113.6	T997	T997-Q999 PolarHBondContact O-N 3.08Å; T997-Q999 PolarHBondContact OG1-N 3.04Å; T997-Q999 PolarHBondContact OG1-OE1 3.3Å
1000	G	76.2	Confident	77.6	Confident	49 Å²	49	52.9 Å²	52.9	51%	0.505	28%	0.278	S	S	.	.	S	Bend	trans	89.5	-0.7	-178.4	0	0	0	0	0	115	T997 A998	T997-G1000 PolarHBondContact O-N 2.8Å; T997-G1000 PolarHBondContact OG1-N 3.44Å; A998-G1000 VanDerWaalsContact C-N 3.31Å
1001	D	77.8	Confident	77.6	Confident	93 Å²	93	53.4 Å²	53.4	50%	0.497	28%	0.283	S	S	.	.			trans	-69	142.8	176.2	-56.3	-50.9	0	0	0	110.6	K996 T997	K996-D1001 CarbonylContact C-O 3.54Å; K996-D1001 WeakPolarHBondContact CA-O 3.39Å; T997-D1001 HydrophobicContact CG2-CB 4.09Å; T997-D1001 PolarHBondContact N-O 3.25Å; T997-D1001 WeakPolarHBondContact OG1-CB 3.3Å; T997-D1001 PolarHBondContact OG1-N 3.33Å; T997-D1001 PolarHBondContact OG1-O 3.49Å
1002	K	77.8	Confident	77.7	Confident	104 Å²	104	61.6 Å²	61.6	45%	0.452	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	134.9	175.9	-61.5	-178.1	-179.4	178.1	0	110.4	K995 I1107	K995-K1002 WeakPolarHBondContact O-CA 3.32Å; K1002-I1107 HydrophobicContact CB-CB 4.48Å; K1002-I1107 HydrophobicContact CB-CD1 3.88Å; K1002-I1107 HydrophobicContact CB-CG1 4.47Å; K1002-I1107 PolarHBondContact O-N 3.1Å
1003	Q	84.1	Confident	77.6	Confident	34 Å²	34	66.9 Å²	66.9	16%	0.159	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	144.7	173.5	-66	-174	-27.6	0	0	110.7	L994 K995 T997 W1104 L1105	L994-Q1003 WeakPolarHBondContact CA-O 3.31Å; K995-Q1003 HydrophobicContact CG-CB 4.05Å; K995-Q1003 PolarHBondContact N-O 2.75Å; K995-Q1003 PolarHBondContact O-N 3.22Å; T997-Q1003 HydrophobicContact CG2-CG 3.8Å; Q1003-W1104 HydrophobicContact CB-CB 4.3Å; Q1003-W1104 HydrophobicContact CB-CD2 4.49Å; Q1003-W1104 HydrophobicContact CB-CE3 3.88Å; Q1003-L1105 CarbonylContact C-O 2.79Å; Q1003-L1105 VanDerWaalsContact CA-O 3.25Å; Q1003-L1105 WeakPolarHBondContact CA-O 3.2Å
1004	V	83.4	Confident	77.3	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141.4	174.2	61.7	0	0	0	0	110.2	L992 I993 L994 M1006 L1105 I1107 T1111	L992-V1004 HydrophobicContact CD1-CG2 3.79Å; I993-V1004 WeakPolarHBondContact O-CA 3.49Å; L994-V1004 HydrophobicContact CD2-CB 3.97Å; L994-V1004 HydrophobicContact CD2-CG2 3.98Å; V1004-M1006 HydrophobicContact CB-CE 4.47Å; V1004-M1006 HydrophobicContact CG1-CE 3.76Å; V1004-M1006 HydrophobicContact CG1-CG 4.08Å; V1004-M1006 HydrophobicContact CG2-CE 3.84Å; V1004-L1105 HydrophobicContact CG1-CB 4.18Å; V1004-L1105 PolarHBondContact N-O 3.46Å; V1004-L1105 PolarHBondContact O-N 3.17Å; V1004-I1107 HydrophobicContact CB-CD1 4.25Å; V1004-I1107 HydrophobicContact CB-CG1 4.21Å; V1004-I1107 HydrophobicContact CG1-CG1 4.05Å; V1004-T1111 HydrophobicContact CG1-CG2 4.04Å
1005	L	81.3	Confident	76.9	Confident	5 Å²	5	74.5 Å²	74.5	3%	0.026	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	124.9	175.3	-166.6	73.3	0	0	0	110.9	I993 P1019 A1031 H1096 F1102 W1104	I993-L1005 HydrophobicContact CB-CB 3.94Å; I993-L1005 HydrophobicContact CD1-CB 4.49Å; I993-L1005 HydrophobicContact CD1-CD2 3.62Å; I993-L1005 HydrophobicContact CG2-CB 4.4Å; I993-L1005 PolarHBondContact O-N 2.86Å; L1005-P1019 HydrophobicContact CD2-CG 4.17Å; L1005-P1019 HydrophobicContact CG-CG 4.48Å; L1005-A1031 HydrophobicContact CD2-CB 4.2Å; L1005-H1096 WeakPolarHBondContact CD1-NE2 3.18Å; L1005-F1102 HydrophobicContact CD1-CB 4.02Å; L1005-F1102 HydrophobicContact CD2-CB 4.35Å; L1005-F1102 HydrophobicContact CG-CB 4.17Å; L1005-W1104 HydrophobicContact CB-CE3 4.24Å; L1005-W1104 HydrophobicContact CB-CH2 4.35Å; L1005-W1104 HydrophobicContact CB-CZ3 3.98Å; L1005-W1104 HydrophobicContact CD1-CD2 4.09Å; L1005-W1104 HydrophobicContact CD1-CE3 4.3Å; L1005-W1104 HydrophobicContact CD1-CH2 4.49Å; L1005-W1104 HydrophobicContact CD1-CZ2 4.25Å
1006	M	82.3	Confident	76.6	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	156.7	-178	-68.8	-69.7	-175.9	0	0	111.4	V1004 R1008 V1011 F1016 M1018 F1102 T1103 L1105 L1115	V1004-M1006 HydrophobicContact CB-CE 4.47Å; V1004-M1006 HydrophobicContact CG1-CE 3.76Å; V1004-M1006 HydrophobicContact CG1-CG 4.08Å; V1004-M1006 HydrophobicContact CG2-CE 3.84Å; M1006-R1008 PolarHBondContact O-N 3.21Å; M1006-V1011 HydrophobicContact CB-CG2 3.68Å; M1006-F1016 HydrophobicContact CE-CB 4.47Å; M1006-F1016 HydrophobicContact SD-CB 4.39Å; M1006-M1018 HydrophobicContact CE-CG 4.29Å; M1006-M1018 HydrophobicContact SD-CG 4.05Å; M1006-F1102 CarbonylContact O-C 3.57Å; M1006-F1102 VanDerWaalsContact O-CA 3.3Å; M1006-F1102 WeakPolarHBondContact O-CA 3.35Å; M1006-T1103 PolarHBondContact N-O 3.26Å; M1006-T1103 PolarHBondContact O-N 2.92Å; M1006-L1105 HydrophobicContact CG-CB 4.37Å; M1006-L1115 HydrophobicContact CE-CD2 4.25Å
1007	R	77	Confident	76.4	Confident	101 Å²	101	72.3 Å²	72.3	38%	0.381	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	119.5	175.4	-156.8	177.2	-173.7	-163.3	1.8	110.6	I1009 A1010 V1011 V1017 E1101 F1102	R1007-I1009 PolarHBondContact O-N 3.39Å; R1007-A1010 HydrophobicContact CB-CB 4.29Å; R1007-A1010 WeakPolarHBondContact O-CB 3.19Å; R1007-A1010 PolarHBondContact O-N 2.76Å; R1007-V1011 PolarHBondContact O-N 3.23Å; R1007-V1011 VanDerWaalsContact O-N 3.09Å; R1007-V1017 HydrophobicContact CB-CB 4.15Å; R1007-V1017 HydrophobicContact CB-CG1 4.39Å; R1007-V1017 WeakPolarHBondContact CB-O 3.35Å; R1007-V1017 PolarHBondContact N-O 3.48Å; R1007-E1101 CarbonylContact C-O 3.58Å; R1007-E1101 WeakPolarHBondContact CG-O 3.28Å; R1007-E1101 IonicContact CZ-OE2 2.76Å; R1007-E1101 IonicContact NE-OE2 2.7Å; R1007-E1101 PolarHBondContact NE-OE2 3.06Å; R1007-E1101 IonicContact NH2-OE2 3.83Å; R1007-E1101 PolarHBondContact NH2-OE2 3.33Å; R1007-F1102 HydrophobicContact CB-CD1 4.43Å; R1007-F1102 HydrophobicContact CB-CE1 4.43Å; R1007-F1102 HydrophobicContact CG-CE1 4.34Å
1008	R	78.7	Confident	76.3	Confident	81 Å²	81	72.3 Å²	72.3	31%	0.306	38%	0.383	S	S	.	.	H	α-helix	trans	-57.2	-43.2	-171.9	-174.5	-175.7	-113	-161.5	-0.1	113.2	M1006 A1010 V1011 K1012 A1098 E1101 T1103	M1006-R1008 PolarHBondContact O-N 3.21Å; R1008-A1010 VanDerWaalsContact C-N 3.29Å; R1008-A1010 PolarHBondContact O-N 3.15Å; R1008-V1011 PolarHBondContact O-N 3.41Å; R1008-K1012 WeakPolarHBondContact O-CG 3.26Å; R1008-K1012 PolarHBondContact O-N 2.87Å; R1008-A1098 PolarHBondContact NH1-O 3.24Å; R1008-E1101 WeakPolarHBondContact CB-O 3.09Å; R1008-E1101 PolarHBondContact N-O 3.14Å; R1008-T1103 HydrophobicContact CB-CG2 4.27Å; R1008-T1103 HydrophobicContact CG-CG2 4.49Å
1009	I	74.3	Confident	76.4	Confident	97 Å²	97	67.3 Å²	67.3	50%	0.497	34%	0.342	S	S	.	.	H	α-helix	trans	-64.7	-36.1	179.2	-64.6	173.7	0	0	0	111.2	R1007 K1013	R1007-I1009 PolarHBondContact O-N 3.39Å; I1009-K1013 WeakPolarHBondContact O-CG 3.21Å; I1009-K1013 PolarHBondContact O-N 2.91Å
1010	A	73.5	Confident	76.4	Confident	12 Å²	12	63.1 Å²	63.1	10%	0.099	32%	0.324	C	S	.	.	H	α-helix	trans	-67.6	-47.7	176.6	0	0	0	0	0	110.3	R1007 R1008 K1012 K1013 G1014 K1015 V1017	R1007-A1010 HydrophobicContact CB-CB 4.29Å; R1007-A1010 WeakPolarHBondContact O-CB 3.19Å; R1007-A1010 PolarHBondContact O-N 2.76Å; R1008-A1010 VanDerWaalsContact C-N 3.29Å; R1008-A1010 PolarHBondContact O-N 3.15Å; A1010-K1012 VanDerWaalsContact C-N 3.27Å; A1010-K1012 PolarHBondContact O-N 3.01Å; A1010-K1013 CarbonylContact O-C 3.52Å; A1010-K1013 WeakPolarHBondContact O-CA 3.27Å; A1010-K1013 PolarHBondContact O-N 2.88Å; A1010-G1014 PolarHBondContact O-N 3.46Å; A1010-K1015 CarbonylContact C-O 3.48Å; A1010-K1015 HydrophobicContact CB-CB 4.11Å; A1010-K1015 WeakPolarHBondContact CB-O 3.22Å; A1010-K1015 CarbonylContact O-C 3.6Å; A1010-K1015 WeakPolarHBondContact O-CA 3.4Å; A1010-K1015 PolarHBondContact O-N 3.1Å; A1010-V1017 HydrophobicContact CB-CB 3.54Å; A1010-V1017 HydrophobicContact CB-CG2 3.44Å; A1010-V1017 VanDerWaalsContact CB-CG2 3.44Å
1011	V	76.5	Confident	76.2	Confident	40 Å²	40	61.2 Å²	61.2	24%	0.242	30%	0.302	C	S	.	.	H	α-helix	trans	-57.3	-42.7	-179.9	174.4	0	0	0	0	110.9	M1006 R1007 R1008 K1013 G1014 K1015 T1103 L1105	M1006-V1011 HydrophobicContact CB-CG2 3.68Å; R1007-V1011 PolarHBondContact O-N 3.23Å; R1007-V1011 VanDerWaalsContact O-N 3.09Å; R1008-V1011 PolarHBondContact O-N 3.41Å; V1011-K1013 PolarHBondContact O-N 3.32Å; V1011-G1014 PolarHBondContact O-N 3.19Å; V1011-G1014 VanDerWaalsContact O-N 3.1Å; V1011-K1015 VanDerWaalsContact CA-O 3.29Å; V1011-K1015 WeakPolarHBondContact CA-O 3.25Å; V1011-K1015 PolarHBondContact N-O 3.22Å; V1011-T1103 HydrophobicContact CB-CG2 4.41Å; V1011-T1103 HydrophobicContact CG2-CG2 4.1Å; V1011-L1105 HydrophobicContact CB-CD1 4.5Å; V1011-L1105 HydrophobicContact CG1-CD1 3.52Å; V1011-L1105 HydrophobicContact CG2-CD1 4.11Å
1012	K	76.1	Confident	75.8	Confident	171 Å²	171	58.2 Å²	58.2	74%	0.743	29%	0.287	S	S	*	.	H	α-helix	trans	-60.9	-25.2	174.7	-75.8	-172.7	174.8	-169.4	0	114	R1008 A1010	R1008-K1012 WeakPolarHBondContact O-CG 3.26Å; R1008-K1012 PolarHBondContact O-N 2.87Å; A1010-K1012 VanDerWaalsContact C-N 3.27Å; A1010-K1012 PolarHBondContact O-N 3.01Å
1013	K	73.7	Confident	74.9	Confident	139 Å²	139	56.3 Å²	56.3	60%	0.604	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	16.2	178.2	-66.9	-172.3	174	-158.2	0	112.9	I1009 A1010 V1011 K1015	I1009-K1013 WeakPolarHBondContact O-CG 3.21Å; I1009-K1013 PolarHBondContact O-N 2.91Å; A1010-K1013 CarbonylContact O-C 3.52Å; A1010-K1013 WeakPolarHBondContact O-CA 3.27Å; A1010-K1013 PolarHBondContact O-N 2.88Å; V1011-K1013 PolarHBondContact O-N 3.32Å; K1013-K1015 PolarHBondContact O-N 3.18Å
1014	G	73.5	Confident	73.2	Confident	62 Å²	62	57.7 Å²	57.7	64%	0.639	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	17	-176	0	0	0	0	0	114.1	A1010 V1011	A1010-G1014 PolarHBondContact O-N 3.46Å; V1011-G1014 PolarHBondContact O-N 3.19Å; V1011-G1014 VanDerWaalsContact O-N 3.1Å
1015	K	70.8	Confident	71.7	Confident	141 Å²	141	60 Å²	60	61%	0.613	32%	0.317	S	S	*	.			trans	-109.7	148.1	178.2	-63.1	-171.7	-178.2	-172.3	0	109.9	A1010 V1011 K1013	A1010-K1015 CarbonylContact C-O 3.48Å; A1010-K1015 HydrophobicContact CB-CB 4.11Å; A1010-K1015 WeakPolarHBondContact CB-O 3.22Å; A1010-K1015 CarbonylContact O-C 3.6Å; A1010-K1015 WeakPolarHBondContact O-CA 3.4Å; A1010-K1015 PolarHBondContact O-N 3.1Å; V1011-K1015 VanDerWaalsContact CA-O 3.29Å; V1011-K1015 WeakPolarHBondContact CA-O 3.25Å; V1011-K1015 PolarHBondContact N-O 3.22Å; K1013-K1015 PolarHBondContact O-N 3.18Å
1016	F	71.4	Confident	70.4	Confident	40 Å²	40	62.2 Å²	62.2	18%	0.175	33%	0.328	C	S	.	.			trans	-115.5	90.6	-179.1	-63	-79.1	0	0	0	109.1	M1006 L1105 Y1114	M1006-F1016 HydrophobicContact CE-CB 4.47Å; M1006-F1016 HydrophobicContact SD-CB 4.39Å; F1016-L1105 HydrophobicContact CD1-CD2 4.09Å; F1016-L1105 HydrophobicContact CE1-CD2 3.63Å; F1016-Y1114 HydrophobicContact CB-CD1 3.3Å; F1016-Y1114 HydrophobicContact CB-CD2 4.28Å; F1016-Y1114 HydrophobicContact CB-CE1 2.94Å; F1016-Y1114 HydrophobicContact CB-CE2 4.03Å; F1016-Y1114 HydrophobicContact CB-CG 3.97Å; F1016-Y1114 HydrophobicContact CD1-CD1 4.46Å; F1016-Y1114 AromaticContact CD2-CD1 3.71Å; F1016-Y1114 HydrophobicContact CD2-CD1 3.71Å; F1016-Y1114 AromaticContact CD2-CD2 3.61Å; F1016-Y1114 HydrophobicContact CD2-CD2 3.61Å; F1016-Y1114 HydrophobicContact CD2-CE1 4.07Å; F1016-Y1114 HydrophobicContact CD2-CE2 4Å; F1016-Y1114 AromaticContact CD2-CG 3.46Å; F1016-Y1114 HydrophobicContact CD2-CG 3.46Å; F1016-Y1114 VanDerWaalsContact CD2-CG 3.46Å; F1016-Y1114 HydrophobicContact CE2-CD2 4.36Å; F1016-Y1114 HydrophobicContact CE2-CG 4.13Å; F1016-Y1114 AromaticContact CG-CD1 3.61Å; F1016-Y1114 HydrophobicContact CG-CD1 3.61Å; F1016-Y1114 HydrophobicContact CG-CD2 4.32Å; F1016-Y1114 AromaticContact CG-CE1 3.8Å; F1016-Y1114 HydrophobicContact CG-CE1 3.8Å; F1016-Y1114 HydrophobicContact CG-CE2 4.49Å; F1016-Y1114 AromaticContact CG-CG 3.89Å; F1016-Y1114 HydrophobicContact CG-CG 3.89Å; F1016-Y1114 VanDerWaalsContact O-CE1 3.32Å; F1016-Y1114 WeakPolarHBondContact O-CE1 3.45Å; F1016-Y1114 VanDerWaalsContact O-CZ 3.27Å; F1016-Y1114 PolarHBondContact O-OH 3.48Å
1017	V	73.5	Confident	68.8	Low	64 Å²	64	62.7 Å²	62.7	39%	0.388	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-101	117.9	-177.7	177.1	0	0	0	0	109.3	R1007 A1010	R1007-V1017 HydrophobicContact CB-CB 4.15Å; R1007-V1017 HydrophobicContact CB-CG1 4.39Å; R1007-V1017 WeakPolarHBondContact CB-O 3.35Å; R1007-V1017 PolarHBondContact N-O 3.48Å; A1010-V1017 HydrophobicContact CB-CB 3.54Å; A1010-V1017 HydrophobicContact CB-CG2 3.44Å; A1010-V1017 VanDerWaalsContact CB-CG2 3.44Å
1018	M	73.4	Confident	67.7	Low	25 Å²	25	58.8 Å²	58.8	12%	0.123	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-72.4	155.8	175	-76.6	-175.8	-74.2	0	0	111.9	H990 L992 M1006 L1020 I1118	H990-M1018 WeakPolarHBondContact CE1-CE 3.44Å; H990-M1018 WeakPolarHBondContact NE2-CB 3.15Å; H990-M1018 WeakPolarHBondContact NE2-CE 3.34Å; L992-M1018 HydrophobicContact CD1-SD 4.15Å; M1006-M1018 HydrophobicContact CE-CG 4.29Å; M1006-M1018 HydrophobicContact SD-CG 4.05Å; M1018-L1020 PolarHBondContact O-N 2.86Å; M1018-I1118 HydrophobicContact CE-CD1 3.67Å; M1018-I1118 HydrophobicContact CE-CG1 4.47Å; M1018-I1118 HydrophobicContact CE-CG2 3.71Å
1019	P	74	Confident	66.5	Low	2 Å²	2	57.5 Å²	57.5	1%	0.013	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-63.9	120	176.6	-18.9	31.1	0	0	0	113.1	H990 L991 L1005 F1021 F1102	H990-P1019 PolarHBondContact CD2-O 3.26Å; L991-P1019 PolarHBondContact N-O 3.41Å; L991-P1019 WeakPolarHBondContact O-CD 3.17Å; L1005-P1019 HydrophobicContact CD2-CG 4.17Å; L1005-P1019 HydrophobicContact CG-CG 4.48Å; P1019-F1021 HydrophobicContact CB-CD2 4.25Å; P1019-F1021 HydrophobicContact CB-CE2 3.23Å; P1019-F1021 HydrophobicContact CB-CZ 3.41Å; P1019-F1021 VanDerWaalsContact CB-CZ 3.41Å; P1019-F1102 HydrophobicContact CB-CD1 4.31Å; P1019-F1102 HydrophobicContact CB-CE1 3.63Å; P1019-F1102 HydrophobicContact CB-CZ 4.24Å; P1019-F1102 HydrophobicContact CG-CD1 3.94Å; P1019-F1102 HydrophobicContact CG-CE1 3.75Å
1020	L	74.9	Confident	65.5	Low	65 Å²	65	58.2 Å²	58.2	34%	0.34	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124	174.9	-178.3	72.8	0	0	0	109.7	Y988 H990 M1018 M1078 L1080	Y988-L1020 HydrophobicContact CD1-CD1 4.49Å; Y988-L1020 HydrophobicContact CD1-CD2 4.34Å; Y988-L1020 HydrophobicContact CD1-CG 4.15Å; H990-L1020 HydrophobicContact CB-CD1 4.14Å; M1018-L1020 PolarHBondContact O-N 2.86Å; L1020-M1078 HydrophobicContact CD2-CE 4.13Å; L1020-L1080 HydrophobicContact CD1-CD1 3.36Å
1021	F	72.1	Confident	64.4	Low	10 Å²	10	57.8 Å²	57.8	4%	0.044	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	138.5	-173.1	-56.2	-75.1	0	0	0	111.4	Y988 S989 L991 P1019 P1027 F1102	Y988-F1021 CarbonylContact C-O 3.4Å; Y988-F1021 WeakPolarHBondContact CA-O 3.26Å; S989-F1021 PolarHBondContact N-O 3.48Å; S989-F1021 PolarHBondContact O-N 3.33Å; L991-F1021 HydrophobicContact CD1-CD2 4.01Å; L991-F1021 HydrophobicContact CD1-CE2 3.89Å; L991-F1021 HydrophobicContact CG-CD2 4.35Å; L991-F1021 HydrophobicContact CG-CE2 4.39Å; P1019-F1021 HydrophobicContact CB-CD2 4.25Å; P1019-F1021 HydrophobicContact CB-CE2 3.23Å; P1019-F1021 HydrophobicContact CB-CZ 3.41Å; P1019-F1021 VanDerWaalsContact CB-CZ 3.41Å; F1021-P1027 HydrophobicContact CB-CB 3.64Å; F1021-P1027 HydrophobicContact CD1-CB 4.36Å; F1021-P1027 WeakPolarHBondContact CD1-O 3.44Å; F1021-P1027 HydrophobicContact CD2-CB 3.41Å; F1021-P1027 VanDerWaalsContact CD2-CB 3.41Å; F1021-P1027 WeakPolarHBondContact CD2-O 3.4Å; F1021-P1027 WeakPolarHBondContact CE1-O 3.35Å; F1021-P1027 HydrophobicContact CE2-CB 4.1Å; F1021-P1027 WeakPolarHBondContact CE2-O 3.45Å; F1021-P1027 HydrophobicContact CG-CB 3.54Å; F1021-P1027 WeakPolarHBondContact CZ-O 3.25Å; F1021-F1102 HydrophobicContact CE1-CE2 4.29Å; F1021-F1102 AromaticContact CE1-CZ 3.83Å; F1021-F1102 HydrophobicContact CE1-CZ 3.83Å; F1021-F1102 HydrophobicContact CZ-CE1 4.33Å; F1021-F1102 HydrophobicContact CZ-CE2 4.34Å; F1021-F1102 AromaticContact CZ-CZ 3.76Å; F1021-F1102 HydrophobicContact CZ-CZ 3.76Å
1022	P	68.9	Low	63.2	Low	29 Å²	29	56.9 Å²	56.9	19%	0.188	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	133.1	164.6	-5.3	20.3	0	0	0	108.6	Y988 A1024 D1025	Y988-P1022 HydrophobicContact CD1-CB 4.3Å; Y988-P1022 HydrophobicContact CD1-CG 4.4Å; Y988-P1022 HydrophobicContact CE1-CB 4.06Å; Y988-P1022 HydrophobicContact CE1-CG 3.98Å; P1022-A1024 PolarHBondContact O-N 2.78Å; P1022-D1025 PolarHBondContact O-N 3.39Å; P1022-D1025 VanDerWaalsContact O-O 3.1Å
1023	S	59.5	Low	61.9	Low	64 Å²	64	49.1 Å²	49.1	45%	0.448	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-12.9	-177.5	-178	0	0	0	0	114.3	I987	I987-S1023 VanDerWaalsContact CG2-CB 3.44Å; I987-S1023 WeakPolarHBondContact O-CB 3.4Å; I987-S1023 PolarHBondContact O-N 3.21Å
1024	A	47.9	Very low	60.7	Low	64 Å²	64	48.9 Å²	48.9	53%	0.529	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-21	174.2	0	0	0	0	0	113.4	P1022	P1022-A1024 PolarHBondContact O-N 2.78Å
1025	D	52.1	Low	59.5	Low	48 Å²	48	49.7 Å²	49.7	26%	0.257	26%	0.264	S	S	.	.	S	Bend	trans	-97.9	132.2	171.7	-68.2	-39	0	0	0	107.5	P1022 P1027	P1022-D1025 PolarHBondContact O-N 3.39Å; P1022-D1025 VanDerWaalsContact O-O 3.1Å; D1025-P1027 WeakPolarHBondContact O-CD 3.45Å
1026	M	53.8	Low	58.3	Low	52 Å²	52	45.8 Å²	45.8	26%	0.256	25%	0.25	S	C	.	.			trans	-60.8	122.1	175	-55.7	-173.1	-155.3	0	0	107.6	F1028 W1029 Q1049 M1052	M1026-F1028 PolarHBondContact O-N 3.45Å; M1026-W1029 HydrophobicContact CB-CD2 4.46Å; M1026-W1029 HydrophobicContact CB-CG 4.12Å; M1026-W1029 HydrophobicContact CE-CH2 4.24Å; M1026-W1029 HydrophobicContact CE-CZ2 3.28Å; M1026-W1029 HydrophobicContact CG-CZ2 4.35Å; M1026-W1029 PolarHBondContact O-N 2.7Å; M1026-W1029 VanDerWaalsContact O-N 3.16Å; M1026-W1029 VanDerWaalsContact SD-CE2 3.56Å; M1026-W1029 HydrophobicContact SD-CZ2 3.58Å; M1026-W1029 VanDerWaalsContact SD-CZ2 3.58Å; M1026-Q1049 HydrophobicContact CE-CG 4.4Å; M1026-M1052 HydrophobicContact CB-CE 3.63Å; M1026-M1052 HydrophobicContact CB-SD 4.38Å; M1026-M1052 HydrophobicContact CG-CE 3.7Å; M1026-M1052 HydrophobicContact SD-CE 3.63Å; M1026-M1052 HydrophobicContact SD-CG 4.05Å; M1026-M1052 HydrophobicContact SD-SD 4.12Å
1027	P	49.8	Very low	57.3	Low	9 Å²	9	46.7 Å²	46.7	6%	0.058	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-8.1	-165	18.5	-30.7	0	0	0	114.5	L991 F1021 D1025 F1056	L991-P1027 HydrophobicContact CD1-CB 3.75Å; L991-P1027 HydrophobicContact CD1-CG 4.2Å; F1021-P1027 HydrophobicContact CB-CB 3.64Å; F1021-P1027 HydrophobicContact CD1-CB 4.36Å; F1021-P1027 WeakPolarHBondContact CD1-O 3.44Å; F1021-P1027 HydrophobicContact CD2-CB 3.41Å; F1021-P1027 VanDerWaalsContact CD2-CB 3.41Å; F1021-P1027 WeakPolarHBondContact CD2-O 3.4Å; F1021-P1027 WeakPolarHBondContact CE1-O 3.35Å; F1021-P1027 HydrophobicContact CE2-CB 4.1Å; F1021-P1027 WeakPolarHBondContact CE2-O 3.45Å; F1021-P1027 HydrophobicContact CG-CB 3.54Å; F1021-P1027 WeakPolarHBondContact CZ-O 3.25Å; D1025-P1027 WeakPolarHBondContact O-CD 3.45Å; P1027-F1056 HydrophobicContact CG-CE2 4.27Å; P1027-F1056 HydrophobicContact CG-CZ 3.81Å
1028	F	52.6	Low	56.3	Low	20 Å²	20	48.1 Å²	48.1	9%	0.088	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-16.7	-178.4	-70.6	-87.1	0	0	0	114.7	L991 I993 M1026 H1030 A1031 L1032 M1052 F1056 I1085	L991-F1028 HydrophobicContact CD1-CD2 4.4Å; L991-F1028 HydrophobicContact CD1-CE1 4.15Å; L991-F1028 HydrophobicContact CD1-CE2 3.56Å; L991-F1028 HydrophobicContact CD1-CZ 3.39Å; I993-F1028 HydrophobicContact CD1-CE1 3.63Å; I993-F1028 HydrophobicContact CD1-CZ 4.22Å; I993-F1028 HydrophobicContact CG1-CE1 4.48Å; M1026-F1028 PolarHBondContact O-N 3.45Å; F1028-H1030 VanDerWaalsContact C-N 3.28Å; F1028-H1030 PolarHBondContact O-N 3.39Å; F1028-A1031 PolarHBondContact O-N 2.7Å; F1028-L1032 HydrophobicContact CB-CD1 3.93Å; F1028-L1032 HydrophobicContact CB-CG 4.23Å; F1028-L1032 VanDerWaalsContact O-CG 3.27Å; F1028-L1032 WeakPolarHBondContact O-CG 3.34Å; F1028-L1032 PolarHBondContact O-N 2.75Å; F1028-L1032 VanDerWaalsContact O-N 3.1Å; F1028-M1052 HydrophobicContact CD2-SD 3.88Å; F1028-F1056 HydrophobicContact CE2-CE2 4.43Å; F1028-F1056 HydrophobicContact CE2-CZ 4.35Å; F1028-I1085 HydrophobicContact CE1-CD1 4.2Å; F1028-I1085 HydrophobicContact CE2-CD1 4.25Å; F1028-I1085 HydrophobicContact CZ-CD1 3.4Å; F1028-I1085 VanDerWaalsContact CZ-CD1 3.4Å
1029	W	54.5	Low	55.1	Low	54 Å²	54	52.2 Å²	52.2	21%	0.205	28%	0.283	C	S	.	.	H	α-helix	trans	-57	-41.5	-173.4	-67	130.4	0	0	0	112.8	M1026 A1031 M1037 M1044	M1026-W1029 HydrophobicContact CB-CD2 4.46Å; M1026-W1029 HydrophobicContact CB-CG 4.12Å; M1026-W1029 HydrophobicContact CE-CH2 4.24Å; M1026-W1029 HydrophobicContact CE-CZ2 3.28Å; M1026-W1029 HydrophobicContact CG-CZ2 4.35Å; M1026-W1029 PolarHBondContact O-N 2.7Å; M1026-W1029 VanDerWaalsContact O-N 3.16Å; M1026-W1029 VanDerWaalsContact SD-CE2 3.56Å; M1026-W1029 HydrophobicContact SD-CZ2 3.58Å; M1026-W1029 VanDerWaalsContact SD-CZ2 3.58Å; W1029-A1031 VanDerWaalsContact C-N 3.33Å; W1029-A1031 PolarHBondContact O-N 2.78Å; W1029-M1037 HydrophobicContact CB-CE 4.19Å; W1029-M1037 HydrophobicContact CB-SD 3.88Å; W1029-M1037 HydrophobicContact CD2-CE 4.41Å; W1029-M1037 HydrophobicContact CD2-SD 4.03Å; W1029-M1037 HydrophobicContact CE3-CE 4.01Å; W1029-M1037 HydrophobicContact CE3-SD 3.27Å; W1029-M1037 HydrophobicContact CG-SD 4.32Å; W1029-M1037 HydrophobicContact CZ3-SD 4.01Å; W1029-M1044 HydrophobicContact CH2-SD 4.32Å
1030	H	52.5	Low	53.6	Low	111 Å²	111	54.8 Å²	54.8	51%	0.514	30%	0.296	S	S	.	.	H	α-helix	trans	-76.6	-17.9	177.9	-67.4	-70.8	0	0	0	114	F1028 F1102	F1028-H1030 VanDerWaalsContact C-N 3.28Å; F1028-H1030 PolarHBondContact O-N 3.39Å; H1030-F1102 HydrophobicContact CB-CE2 4.08Å; H1030-F1102 WeakPolarHBondContact O-CD2 3.3Å
1031	A	50.2	Low	52.3	Low	4 Å²	4	54.1 Å²	54.1	3%	0.033	30%	0.3	C	S	.	.	H	α-helix	trans	-89.6	-23.9	-179	0	0	0	0	0	113.6	L1005 F1028 W1029 H1096 F1102	L1005-A1031 HydrophobicContact CD2-CB 4.2Å; F1028-A1031 PolarHBondContact O-N 2.7Å; W1029-A1031 VanDerWaalsContact C-N 3.33Å; W1029-A1031 PolarHBondContact O-N 2.78Å; A1031-H1096 PolarHBondContact O-CE1 3.42Å; A1031-H1096 PolarHBondContact O-ND1 2.87Å; A1031-F1102 HydrophobicContact CB-CD2 3.98Å; A1031-F1102 HydrophobicContact CB-CE2 4.26Å; A1031-F1102 HydrophobicContact CB-CG 4.46Å
1032	L	52.6	Low	51	Low	21 Å²	21	59.4 Å²	59.4	11%	0.11	33%	0.333	C	S	.	.	H	α-helix	trans	-84.5	-14.9	-172.5	-67.8	171.6	0	0	0	114.5	F1028 L1036 M1040 I1094	F1028-L1032 HydrophobicContact CB-CD1 3.93Å; F1028-L1032 HydrophobicContact CB-CG 4.23Å; F1028-L1032 VanDerWaalsContact O-CG 3.27Å; F1028-L1032 WeakPolarHBondContact O-CG 3.34Å; F1028-L1032 PolarHBondContact O-N 2.75Å; F1028-L1032 VanDerWaalsContact O-N 3.1Å; L1032-L1036 HydrophobicContact CB-CB 4.49Å; L1032-L1036 HydrophobicContact CB-CD2 3.96Å; L1032-L1036 HydrophobicContact CD1-CD2 4.37Å; L1032-L1036 HydrophobicContact CD2-CD2 3.79Å; L1032-L1036 HydrophobicContact CG-CD2 4.23Å; L1032-M1040 HydrophobicContact CD1-SD 4.09Å; L1032-I1094 HydrophobicContact CD2-CD1 4.18Å; L1032-I1094 HydrophobicContact CD2-CG1 4.13Å; L1032-I1094 HydrophobicContact CD2-CG2 4.14Å
1033	G	48.8	Very low	49.8	Very low	7 Å²	7	65 Å²	65	7%	0.072	36%	0.356	C	S	.	.			trans	77.5	153.6	178.7	0	0	0	0	0	114	P1035 L1036 M1037	G1033-P1035 VanDerWaalsContact C-CD 3.43Å; G1033-L1036 PolarHBondContact O-N 3.47Å; G1033-M1037 WeakPolarHBondContact O-CG 3.39Å; G1033-M1037 PolarHBondContact O-N 3.04Å; G1033-M1037 VanDerWaalsContact O-N 3.12Å
1034	K	46.8	Very low	48.8	Very low	135 Å²	135	66.7 Å²	66.7	59%	0.587	36%	0.359	S	S	*	.	H	α-helix	trans	-56.4	-37.9	-173.1	-161.4	-179.7	-177.9	-171.6	0	115.4	M1037 D1038 D1099	K1034-M1037 WeakPolarHBondContact O-CB 3.46Å; K1034-M1037 PolarHBondContact O-N 3.3Å; K1034-D1038 VanDerWaalsContact O-CG 3.32Å; K1034-D1038 PolarHBondContact O-N 3.37Å; K1034-D1099 VanDerWaalsContact CB-OD2 3.29Å; K1034-D1099 WeakPolarHBondContact CB-OD2 3.25Å
1035	P	48.4	Very low	48.9	Very low	78 Å²	78	70.3 Å²	70.3	51%	0.506	37%	0.374	S	S	.	.	H	α-helix	trans	-67.6	-40.8	-179.6	-21	33.4	0	0	0	113.6	G1033 M1037 D1038 D1039	G1033-P1035 VanDerWaalsContact C-CD 3.43Å; P1035-M1037 VanDerWaalsContact C-N 3.31Å; P1035-D1038 PolarHBondContact O-N 3.22Å; P1035-D1039 PolarHBondContact O-N 3.29Å
1036	L	45.7	Very low	48.8	Very low	60 Å²	60	71.2 Å²	71.2	31%	0.314	39%	0.389	S	S	.	.	H	α-helix	trans	-73.3	-29.8	177	-154.4	81	0	0	0	111	L1032 G1033 M1040	L1032-L1036 HydrophobicContact CB-CB 4.49Å; L1032-L1036 HydrophobicContact CB-CD2 3.96Å; L1032-L1036 HydrophobicContact CD1-CD2 4.37Å; L1032-L1036 HydrophobicContact CD2-CD2 3.79Å; L1032-L1036 HydrophobicContact CG-CD2 4.23Å; G1033-L1036 PolarHBondContact O-N 3.47Å; L1036-M1040 HydrophobicContact CD2-SD 4.13Å; L1036-M1040 HydrophobicContact CG-CG 4.5Å; L1036-M1040 HydrophobicContact CG-SD 4.25Å; L1036-M1040 VanDerWaalsContact O-CB 3.28Å; L1036-M1040 WeakPolarHBondContact O-CB 3.02Å; L1036-M1040 WeakPolarHBondContact O-CG 3.32Å; L1036-M1040 PolarHBondContact O-N 3.42Å
1037	M	51.6	Low	48.2	Very low	59 Å²	59	72.3 Å²	72.3	29%	0.291	40%	0.4	S	S	.	.	H	α-helix	trans	-62.4	-44.2	170.8	-69.4	-83.8	-64.8	0	0	111.5	W1029 G1033 K1034 P1035 M1040 A1041	W1029-M1037 HydrophobicContact CB-CE 4.19Å; W1029-M1037 HydrophobicContact CB-SD 3.88Å; W1029-M1037 HydrophobicContact CD2-CE 4.41Å; W1029-M1037 HydrophobicContact CD2-SD 4.03Å; W1029-M1037 HydrophobicContact CE3-CE 4.01Å; W1029-M1037 HydrophobicContact CE3-SD 3.27Å; W1029-M1037 HydrophobicContact CG-SD 4.32Å; W1029-M1037 HydrophobicContact CZ3-SD 4.01Å; G1033-M1037 WeakPolarHBondContact O-CG 3.39Å; G1033-M1037 PolarHBondContact O-N 3.04Å; G1033-M1037 VanDerWaalsContact O-N 3.12Å; K1034-M1037 WeakPolarHBondContact O-CB 3.46Å; K1034-M1037 PolarHBondContact O-N 3.3Å; P1035-M1037 VanDerWaalsContact C-N 3.31Å; M1037-M1040 PolarHBondContact O-N 3.37Å; M1037-A1041 WeakPolarHBondContact O-CA 3.41Å; M1037-A1041 WeakPolarHBondContact O-CB 3.14Å; M1037-A1041 PolarHBondContact O-N 3.46Å
1038	D	51.2	Low	48.1	Very low	94 Å²	94	72.7 Å²	72.7	50%	0.503	40%	0.404	S	S	.	.	H	α-helix	trans	-67.1	-37.7	-179.6	-69	-21.9	0	0	0	111.5	K1034 P1035 T1042	K1034-D1038 VanDerWaalsContact O-CG 3.32Å; K1034-D1038 PolarHBondContact O-N 3.37Å; P1035-D1038 PolarHBondContact O-N 3.22Å; D1038-T1042 PolarHBondContact O-N 3.02Å; D1038-T1042 VanDerWaalsContact O-N 3.11Å; D1038-T1042 PolarHBondContact O-OG1 3.17Å
1039	D	49.5	Very low	48.1	Very low	111 Å²	111	77.4 Å²	77.4	59%	0.594	43%	0.426	S	S	*	.	H	α-helix	trans	-69.9	-40.1	173.4	-81.5	-8.2	0	0	0	112.9	P1035 T1042 E1043	P1035-D1039 PolarHBondContact O-N 3.29Å; D1039-T1042 WeakPolarHBondContact CA-OG1 3.5Å; D1039-T1042 PolarHBondContact O-OG1 3.44Å; D1039-E1043 PolarHBondContact O-N 3.43Å
1040	M	41.4	Very low	48.4	Very low	56 Å²	56	82.1 Å²	82.1	28%	0.276	45%	0.449	S	S	.	.	H	α-helix	trans	-76.9	-29.2	177.7	-68.9	-177.9	84.4	0	0	112.5	L1032 L1036 M1037 E1043 M1044 A1048	L1032-M1040 HydrophobicContact CD1-SD 4.09Å; L1036-M1040 HydrophobicContact CD2-SD 4.13Å; L1036-M1040 HydrophobicContact CG-CG 4.5Å; L1036-M1040 HydrophobicContact CG-SD 4.25Å; L1036-M1040 VanDerWaalsContact O-CB 3.28Å; L1036-M1040 WeakPolarHBondContact O-CB 3.02Å; L1036-M1040 WeakPolarHBondContact O-CG 3.32Å; L1036-M1040 PolarHBondContact O-N 3.42Å; M1037-M1040 PolarHBondContact O-N 3.37Å; M1040-E1043 CarbonylContact O-C 3.59Å; M1040-E1043 PolarHBondContact O-N 2.99Å; M1040-M1044 WeakPolarHBondContact O-CG 3.49Å; M1040-M1044 PolarHBondContact O-N 3.42Å; M1040-A1048 HydrophobicContact CE-CB 4.22Å
1041	A	47.6	Very low	48.6	Very low	51 Å²	51	80 Å²	80	42%	0.421	44%	0.443	S	S	.	.	H	α-helix	trans	-70.4	-33.3	174.2	0	0	0	0	0	111.8	M1037 E1043 M1044	M1037-A1041 WeakPolarHBondContact O-CA 3.41Å; M1037-A1041 WeakPolarHBondContact O-CB 3.14Å; M1037-A1041 PolarHBondContact O-N 3.46Å; A1041-E1043 VanDerWaalsContact C-N 3.28Å; A1041-E1043 PolarHBondContact O-N 2.67Å; A1041-M1044 HydrophobicContact CB-SD 4.3Å; A1041-M1044 PolarHBondContact O-N 2.8Å
1042	T	46.2	Very low	49	Very low	121 Å²	121	81.8 Å²	81.8	74%	0.742	45%	0.452	S	S	*	.	H	α-helix	trans	-70.5	-21.1	172.1	30.4	0	0	0	0	113.2	D1038 D1039	D1038-T1042 PolarHBondContact O-N 3.02Å; D1038-T1042 VanDerWaalsContact O-N 3.11Å; D1038-T1042 PolarHBondContact O-OG1 3.17Å; D1039-T1042 WeakPolarHBondContact CA-OG1 3.5Å; D1039-T1042 PolarHBondContact O-OG1 3.44Å
1043	E	43.1	Very low	49.5	Very low	145 Å²	145	88 Å²	88	68%	0.678	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	10.6	173.1	-72.3	-158	170.4	0	0	115.2	D1039 M1040 A1041 T1045	D1039-E1043 PolarHBondContact O-N 3.43Å; M1040-E1043 CarbonylContact O-C 3.59Å; M1040-E1043 PolarHBondContact O-N 2.99Å; A1041-E1043 VanDerWaalsContact C-N 3.28Å; A1041-E1043 PolarHBondContact O-N 2.67Å; E1043-T1045 PolarHBondContact O-N 3.23Å
1044	M	37.6	Very low	50.2	Low	101 Å²	101	89.4 Å²	89.4	50%	0.498	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	108.6	-175.4	-87.4	-179.3	70	0	0	112.8	W1029 M1040 A1041	W1029-M1044 HydrophobicContact CH2-SD 4.32Å; M1040-M1044 WeakPolarHBondContact O-CG 3.49Å; M1040-M1044 PolarHBondContact O-N 3.42Å; A1041-M1044 HydrophobicContact CB-SD 4.3Å; A1041-M1044 PolarHBondContact O-N 2.8Å
1045	T	50.1	Low	51	Low	139 Å²	139	83.8 Å²	83.8	85%	0.853	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-167.6	-17	144	15.7	0	0	0	0	117.1	E1043	E1043-T1045 PolarHBondContact O-N 3.23Å
1046	A	50	Low	51.8	Low	68 Å²	68	83 Å²	83	56%	0.562	45%	0.452	S	S	*	.	S	Bend	trans	-157.5	-29.6	174.6	0	0	0	0	0	114.4	Q1049 K1050	A1046-Q1049 PolarHBondContact O-N 2.91Å; A1046-K1050 WeakPolarHBondContact O-CB 3.33Å; A1046-K1050 PolarHBondContact O-N 3.43Å
1047	C	41.7	Very low	52.8	Low	74 Å²	74	88.8 Å²	88.8	50%	0.5	48%	0.475	S	S	.	.	H	α-helix	trans	-66.4	-45.7	-173.4	-149.7	0	0	0	0	112.1	Q1049 K1050 T1051	C1047-Q1049 PolarHBondContact O-N 3.29Å; C1047-K1050 WeakPolarHBondContact O-CB 3.48Å; C1047-K1050 PolarHBondContact O-N 3.21Å; C1047-K1050 VanDerWaalsContact O-N 3.16Å; C1047-T1051 PolarHBondContact O-N 3.29Å; C1047-T1051 PolarHBondContact O-OG1 2.7Å; C1047-T1051 VanDerWaalsContact O-OG1 3.06Å
1048	A	47.9	Very low	53.5	Low	17 Å²	17	89.3 Å²	89.3	14%	0.14	48%	0.481	C	S	.	.	H	α-helix	trans	-61.3	-41.9	177.6	0	0	0	0	0	113.2	M1040 T1051 M1052	M1040-A1048 HydrophobicContact CE-CB 4.22Å; A1048-T1051 PolarHBondContact O-N 3.03Å; A1048-M1052 WeakPolarHBondContact O-CB 3.49Å; A1048-M1052 WeakPolarHBondContact O-CG 3.29Å; A1048-M1052 PolarHBondContact O-N 3.49Å
1049	Q	53.2	Low	54.3	Low	119 Å²	119	85.8 Å²	85.8	56%	0.556	46%	0.463	S	S	*	.	H	α-helix	trans	-65.4	-38.2	174.8	-75.8	-175.3	-4.4	0	0	112	M1026 A1046 C1047 M1052 K1053	M1026-Q1049 HydrophobicContact CE-CG 4.4Å; A1046-Q1049 PolarHBondContact O-N 2.91Å; C1047-Q1049 PolarHBondContact O-N 3.29Å; Q1049-M1052 PolarHBondContact O-N 3.31Å; Q1049-K1053 WeakPolarHBondContact O-CB 3.39Å; Q1049-K1053 WeakPolarHBondContact O-CG 3.27Å; Q1049-K1053 PolarHBondContact O-N 3.24Å
1050	K	60.3	Low	55.2	Low	154 Å²	154	84.7 Å²	84.7	67%	0.67	45%	0.453	S	S	*	.	H	α-helix	trans	-64.8	-44.7	175.5	-171.4	179.5	179.9	-178.4	0	111.1	A1046 C1047 K1053 S1054	A1046-K1050 WeakPolarHBondContact O-CB 3.33Å; A1046-K1050 PolarHBondContact O-N 3.43Å; C1047-K1050 WeakPolarHBondContact O-CB 3.48Å; C1047-K1050 PolarHBondContact O-N 3.21Å; C1047-K1050 VanDerWaalsContact O-N 3.16Å; K1050-K1053 PolarHBondContact O-N 2.87Å; K1050-S1054 WeakPolarHBondContact O-CB 3.28Å; K1050-S1054 PolarHBondContact O-N 3Å; K1050-S1054 PolarHBondContact O-OG 3.32Å
1051	T	56.5	Low	56.6	Low	66 Å²	66	87.7 Å²	87.7	41%	0.405	47%	0.465	S	S	.	.	H	α-helix	trans	-62.4	-44.6	175.8	-57.1	0	0	0	0	111.2	C1047 A1048 S1054 V1055	C1047-T1051 PolarHBondContact O-N 3.29Å; C1047-T1051 PolarHBondContact O-OG1 2.7Å; C1047-T1051 VanDerWaalsContact O-OG1 3.06Å; A1048-T1051 PolarHBondContact O-N 3.03Å; T1051-S1054 CarbonylContact O-C 3.56Å; T1051-S1054 WeakPolarHBondContact O-CA 3.35Å; T1051-S1054 VanDerWaalsContact O-CB 3.25Å; T1051-S1054 WeakPolarHBondContact O-CB 3.35Å; T1051-S1054 PolarHBondContact O-N 3.4Å; T1051-V1055 WeakPolarHBondContact O-CG2 3.03Å; T1051-V1055 PolarHBondContact O-N 2.91Å
1052	M	58.1	Low	57.6	Low	42 Å²	42	87.4 Å²	87.4	21%	0.207	46%	0.456	C	S	.	.	H	α-helix	trans	-59.7	-47.1	174.5	-83.8	-95.7	-62.2	0	0	113.1	M1026 F1028 A1048 Q1049 S1054 V1055 F1056	M1026-M1052 HydrophobicContact CB-CE 3.63Å; M1026-M1052 HydrophobicContact CB-SD 4.38Å; M1026-M1052 HydrophobicContact CG-CE 3.7Å; M1026-M1052 HydrophobicContact SD-CE 3.63Å; M1026-M1052 HydrophobicContact SD-CG 4.05Å; M1026-M1052 HydrophobicContact SD-SD 4.12Å; F1028-M1052 HydrophobicContact CD2-SD 3.88Å; A1048-M1052 WeakPolarHBondContact O-CB 3.49Å; A1048-M1052 WeakPolarHBondContact O-CG 3.29Å; A1048-M1052 PolarHBondContact O-N 3.49Å; Q1049-M1052 PolarHBondContact O-N 3.31Å; M1052-S1054 PolarHBondContact O-N 3Å; M1052-V1055 PolarHBondContact O-N 3.18Å; M1052-F1056 HydrophobicContact CE-CE2 3.92Å; M1052-F1056 WeakPolarHBondContact O-CD2 3.36Å; M1052-F1056 PolarHBondContact O-N 3.14Å; M1052-F1056 HydrophobicContact SD-CE2 4.26Å
1053	K	64.3	Low	58.8	Low	150 Å²	150	83 Å²	83	65%	0.652	43%	0.426	S	S	*	.	H	α-helix	trans	-59.2	-32.6	172.9	-78.5	-178.4	178	179.5	0	111.8	Q1049 K1050 K1057	Q1049-K1053 WeakPolarHBondContact O-CB 3.39Å; Q1049-K1053 WeakPolarHBondContact O-CG 3.27Å; Q1049-K1053 PolarHBondContact O-N 3.24Å; K1050-K1053 PolarHBondContact O-N 2.87Å; K1053-K1057 WeakPolarHBondContact O-CB 3.37Å; K1053-K1057 VanDerWaalsContact O-CG 3.28Å; K1053-K1057 WeakPolarHBondContact O-CG 3.26Å; K1053-K1057 PolarHBondContact O-N 2.72Å; K1053-K1057 VanDerWaalsContact O-N 3.07Å
1054	S	63.8	Low	60.2	Low	38 Å²	38	77.6 Å²	77.6	27%	0.266	41%	0.409	S	S	.	.	H	α-helix	trans	-72.2	-40.9	177.5	-50.1	0	0	0	0	111.8	K1050 T1051 M1052 K1057 V1058	K1050-S1054 WeakPolarHBondContact O-CB 3.28Å; K1050-S1054 PolarHBondContact O-N 3Å; K1050-S1054 PolarHBondContact O-OG 3.32Å; T1051-S1054 CarbonylContact O-C 3.56Å; T1051-S1054 WeakPolarHBondContact O-CA 3.35Å; T1051-S1054 VanDerWaalsContact O-CB 3.25Å; T1051-S1054 WeakPolarHBondContact O-CB 3.35Å; T1051-S1054 PolarHBondContact O-N 3.4Å; M1052-S1054 PolarHBondContact O-N 3Å; S1054-K1057 PolarHBondContact O-N 2.72Å; S1054-V1058 PolarHBondContact O-N 3.27Å
1055	V	63.3	Low	62.1	Low	17 Å²	17	73.3 Å²	73.3	10%	0.103	39%	0.39	C	S	.	.	H	α-helix	trans	-62.9	-51.3	173.8	173.9	0	0	0	0	110.1	T1051 M1052 K1057 V1058 T1059 I1085 Y1090	T1051-V1055 WeakPolarHBondContact O-CG2 3.03Å; T1051-V1055 PolarHBondContact O-N 2.91Å; M1052-V1055 PolarHBondContact O-N 3.18Å; V1055-K1057 PolarHBondContact O-N 3.33Å; V1055-V1058 WeakPolarHBondContact O-CG2 3.47Å; V1055-V1058 PolarHBondContact O-N 3.49Å; V1055-T1059 HydrophobicContact CG1-CG2 4.3Å; V1055-T1059 VanDerWaalsContact O-CG2 3.28Å; V1055-T1059 WeakPolarHBondContact O-CG2 3.46Å; V1055-T1059 PolarHBondContact O-N 2.78Å; V1055-T1059 VanDerWaalsContact O-N 3.07Å; V1055-I1085 HydrophobicContact CG1-CD1 3.9Å; V1055-I1085 HydrophobicContact CG1-CG2 4.38Å; V1055-Y1090 HydrophobicContact CG2-CD1 3.59Å; V1055-Y1090 HydrophobicContact CG2-CD2 4.37Å; V1055-Y1090 HydrophobicContact CG2-CE1 4.08Å; V1055-Y1090 HydrophobicContact CG2-CG 3.75Å
1056	F	64.5	Low	63.3	Low	61 Å²	61	68.9 Å²	68.9	27%	0.268	36%	0.364	S	S	.	.	H	α-helix	trans	-64.4	-25	178.6	-82	-72.1	0	0	0	114.1	P1027 F1028 M1052 V1058 T1059	P1027-F1056 HydrophobicContact CG-CE2 4.27Å; P1027-F1056 HydrophobicContact CG-CZ 3.81Å; F1028-F1056 HydrophobicContact CE2-CE2 4.43Å; F1028-F1056 HydrophobicContact CE2-CZ 4.35Å; M1052-F1056 HydrophobicContact CE-CE2 3.92Å; M1052-F1056 WeakPolarHBondContact O-CD2 3.36Å; M1052-F1056 PolarHBondContact O-N 3.14Å; M1052-F1056 HydrophobicContact SD-CE2 4.26Å; F1056-V1058 VanDerWaalsContact C-N 3.32Å; F1056-T1059 WeakPolarHBondContact CA-OG1 3.33Å; F1056-T1059 HydrophobicContact CD1-CG2 4.41Å; F1056-T1059 PolarHBondContact O-N 2.8Å; F1056-T1059 PolarHBondContact O-OG1 2.83Å
1057	K	66.9	Low	64.8	Low	181 Å²	181	67.6 Å²	67.6	79%	0.787	35%	0.347	S	S	*	.	H	α-helix	trans	-67.8	-29.8	171.4	-87.9	-178.5	176.6	-169.3	0	113.3	K1053 S1054 V1055	K1053-K1057 WeakPolarHBondContact O-CB 3.37Å; K1053-K1057 VanDerWaalsContact O-CG 3.28Å; K1053-K1057 WeakPolarHBondContact O-CG 3.26Å; K1053-K1057 PolarHBondContact O-N 2.72Å; K1053-K1057 VanDerWaalsContact O-N 3.07Å; S1054-K1057 PolarHBondContact O-N 2.72Å; V1055-K1057 PolarHBondContact O-N 3.33Å
1058	V	65.8	Low	66.5	Low	70 Å²	70	67.1 Å²	67.1	42%	0.424	33%	0.334	S	S	.	.	H	α-helix	trans	-95.7	-6.3	177.2	-60.2	0	0	0	0	112.8	S1054 V1055 F1056 D1087 Y1090	S1054-V1058 PolarHBondContact O-N 3.27Å; V1055-V1058 WeakPolarHBondContact O-CG2 3.47Å; V1055-V1058 PolarHBondContact O-N 3.49Å; F1056-V1058 VanDerWaalsContact C-N 3.32Å; V1058-D1087 HydrophobicContact CG2-CB 4.21Å; V1058-Y1090 HydrophobicContact CG1-CE2 4.33Å; V1058-Y1090 HydrophobicContact CG2-CD2 4.01Å; V1058-Y1090 HydrophobicContact CG2-CE2 3.62Å
1059	T	68.9	Low	68.2	Low	20 Å²	20	67.7 Å²	67.7	12%	0.123	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-76.6	138.2	175.8	59.5	0	0	0	0	112.2	V1055 F1056 V1084 I1085	V1055-T1059 HydrophobicContact CG1-CG2 4.3Å; V1055-T1059 VanDerWaalsContact O-CG2 3.28Å; V1055-T1059 WeakPolarHBondContact O-CG2 3.46Å; V1055-T1059 PolarHBondContact O-N 2.78Å; V1055-T1059 VanDerWaalsContact O-N 3.07Å; F1056-T1059 WeakPolarHBondContact CA-OG1 3.33Å; F1056-T1059 HydrophobicContact CD1-CG2 4.41Å; F1056-T1059 PolarHBondContact O-N 2.8Å; F1056-T1059 PolarHBondContact O-OG1 2.83Å; T1059-V1084 WeakPolarHBondContact CA-O 3.25Å; T1059-V1084 WeakPolarHBondContact CB-O 3.37Å; T1059-I1085 HydrophobicContact CG2-CB 4.34Å; T1059-I1085 HydrophobicContact CG2-CD1 3.52Å; T1059-I1085 HydrophobicContact CG2-CG1 3.48Å; T1059-I1085 VanDerWaalsContact CG2-CG1 3.48Å; T1059-I1085 HydrophobicContact CG2-CG2 4.43Å
1060	K	67.8	Low	69.7	Low	88 Å²	88	64.6 Å²	64.6	38%	0.383	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	122.7	172.6	-166.1	168.2	-178.8	171.7	0	109.4	L1062 H1083 V1084 L1144	K1060-L1062 PolarHBondContact O-N 3.41Å; K1060-H1083 CarbonylContact O-C 3.02Å; K1060-H1083 WeakPolarHBondContact O-CA 3.49Å; K1060-V1084 PolarHBondContact N-O 2.8Å; K1060-V1084 PolarHBondContact O-N 3.38Å; K1060-L1144 VanDerWaalsContact CE-O 3.29Å; K1060-L1144 WeakPolarHBondContact CE-O 3.4Å; K1060-L1144 PolarHBondContact NZ-O 3.47Å
1061	K	72	Confident	70.9	Confident	120 Å²	120	58.6 Å²	58.6	52%	0.522	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	121.2	174.6	-177.2	-177	174.4	-173.2	0	108.9	Y1063	K1061-Y1063 WeakPolarHBondContact CE-O 3.31Å
1062	L	68.9	Low	72.5	Confident	44 Å²	44	55.5 Å²	55.5	23%	0.23	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-37.7	175.3	-67	-178.1	0	0	0	112.3	K1060 S1082 V1084 F1123	K1060-L1062 PolarHBondContact O-N 3.41Å; L1062-S1082 PolarHBondContact N-O 2.98Å; L1062-V1084 HydrophobicContact CD1-CG2 3.41Å; L1062-V1084 VanDerWaalsContact CD1-CG2 3.41Å; L1062-V1084 HydrophobicContact CD2-CG2 3.99Å; L1062-V1084 HydrophobicContact CG-CG2 3.72Å; L1062-F1123 HydrophobicContact CB-CZ 4.5Å
1063	Y	69.5	Low	74.1	Confident	30 Å²	30	53.5 Å²	53.5	12%	0.118	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	153.4	-175.4	176.2	-102.4	0	0	0	110.9	K1061 G1065 P1066 L1080 Y1081 S1082 V1150 I1154	K1061-Y1063 WeakPolarHBondContact CE-O 3.31Å; Y1063-G1065 WeakPolarHBondContact CE1-O 2.98Å; Y1063-G1065 WeakPolarHBondContact OH-CA 3.48Å; Y1063-G1065 PolarHBondContact OH-O 2.83Å; Y1063-P1066 PolarHBondContact OH-O 3.04Å; Y1063-L1080 HydrophobicContact CD1-CB 4.1Å; Y1063-L1080 HydrophobicContact CD1-CD2 4.2Å; Y1063-L1080 HydrophobicContact CD1-CG 4.32Å; Y1063-L1080 WeakPolarHBondContact CD1-O 3.34Å; Y1063-L1080 HydrophobicContact CE1-CB 3.88Å; Y1063-L1080 HydrophobicContact CE1-CD2 4.49Å; Y1063-L1080 WeakPolarHBondContact CE1-O 3.33Å; Y1063-Y1081 CarbonylContact O-C 3.3Å; Y1063-Y1081 VanDerWaalsContact O-CA 3.3Å; Y1063-Y1081 WeakPolarHBondContact O-CA 3.32Å; Y1063-S1082 PolarHBondContact N-O 2.84Å; Y1063-S1082 PolarHBondContact O-N 2.85Å; Y1063-V1150 HydrophobicContact CD2-CG1 4.04Å; Y1063-I1154 HydrophobicContact CD2-CD1 3.51Å; Y1063-I1154 HydrophobicContact CD2-CG1 4.1Å; Y1063-I1154 HydrophobicContact CE2-CB 4.35Å; Y1063-I1154 HydrophobicContact CE2-CD1 3.29Å; Y1063-I1154 HydrophobicContact CE2-CG1 3.45Å; Y1063-I1154 VanDerWaalsContact CE2-CG1 3.45Å; Y1063-I1154 HydrophobicContact CE2-CG2 4.38Å
1064	G	73.3	Confident	75.4	Confident	31 Å²	31	46.4 Å²	46.4	32%	0.32	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	105.5	171.2	0	0	0	0	0	110.9	L1080	G1064-L1080 VanDerWaalsContact CA-O 3.3Å; G1064-L1080 WeakPolarHBondContact CA-O 3.44Å
1065	G	78.3	Confident	76.7	Confident	11 Å²	11	45.1 Å²	45.1	11%	0.113	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175	-178.2	-179	0	0	0	0	0	113.8	Y1063 D1079 L1080	Y1063-G1065 WeakPolarHBondContact CE1-O 2.98Å; Y1063-G1065 WeakPolarHBondContact OH-CA 3.48Å; Y1063-G1065 PolarHBondContact OH-O 2.83Å; G1065-D1079 CarbonylContact O-C 3.54Å; G1065-D1079 VanDerWaalsContact O-CA 3.3Å; G1065-D1079 WeakPolarHBondContact O-CA 3.05Å; G1065-L1080 PolarHBondContact N-O 3.44Å; G1065-L1080 PolarHBondContact O-N 2.85Å
1066	P	75.3	Confident	78	Confident	45 Å²	45	44.3 Å²	44.3	29%	0.292	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	135.7	179.6	25.8	-32.2	0	0	0	112	Y1063 D1079	Y1063-P1066 PolarHBondContact OH-O 3.04Å; P1066-D1079 VanDerWaalsContact CA-OD1 3.28Å; P1066-D1079 WeakPolarHBondContact CA-OD1 3.47Å
1067	M	80.6	Confident	79.3	Confident	41 Å²	41	43 Å²	43	20%	0.202	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.2	-179.9	-179.8	-177.6	65.6	0	0	110.3	D1069 N1072 M1078 L1080	M1067-D1069 HydrophobicContact CE-CB 4.15Å; M1067-D1069 PolarHBondContact O-N 2.98Å; M1067-N1072 PolarHBondContact O-ND2 3.22Å; M1067-M1078 HydrophobicContact CE-CB 4.19Å; M1067-M1078 HydrophobicContact CE-CE 3.37Å; M1067-M1078 HydrophobicContact CE-SD 3.93Å; M1067-M1078 PolarHBondContact N-O 3.01Å; M1067-L1080 HydrophobicContact CB-CB 3.87Å; M1067-L1080 HydrophobicContact CE-CB 4.29Å; M1067-L1080 HydrophobicContact CE-CD1 4.17Å; M1067-L1080 HydrophobicContact CG-CB 4.45Å; M1067-L1080 HydrophobicContact SD-CB 3.94Å; M1067-L1080 HydrophobicContact SD-CD1 4.15Å; M1067-L1080 HydrophobicContact SD-CD2 3.67Å; M1067-L1080 HydrophobicContact SD-CG 4.13Å
1068	W	77.3	Confident	80.4	Confident	64 Å²	64	34.4 Å²	34.4	24%	0.242	18%	0.184	C	C	.	.			trans	-70.1	119.7	167.2	-96.1	94.3	0	0	0	110.9	D969 T972	D969-W1068 HydrophobicContact CB-CZ2 4.16Å; D969-W1068 PolarHBondContact OD2-NE1 3.36Å; T972-W1068 HydrophobicContact CG2-CH2 4.03Å; T972-W1068 HydrophobicContact CG2-CZ3 4.43Å
1069	D	83.5	Confident	81.3	Confident	30 Å²	30	32.3 Å²	32.3	16%	0.16	17%	0.171	C	C	.	.			trans	-139	151.5	177.4	-172.7	-78	0	0	0	110.6	M1067 R1071 N1072 M1078	M1067-D1069 HydrophobicContact CE-CB 4.15Å; M1067-D1069 PolarHBondContact O-N 2.98Å; D1069-R1071 PolarHBondContact O-N 2.96Å; D1069-R1071 VanDerWaalsContact OD1-CB 3.25Å; D1069-R1071 WeakPolarHBondContact OD1-CB 3.09Å; D1069-R1071 WeakPolarHBondContact OD1-CG 3.48Å; D1069-R1071 IonicContact OD1-CZ 3.22Å; D1069-R1071 PolarHBondContact OD1-N 2.65Å; D1069-R1071 IonicContact OD1-NE 2.7Å; D1069-R1071 PolarHBondContact OD1-NE 2.99Å; D1069-R1071 IonicContact OD1-NH2 3.79Å; D1069-R1071 IonicContact OD2-CZ 2.77Å; D1069-R1071 IonicContact OD2-NE 3.61Å; D1069-R1071 PolarHBondContact OD2-NE 3.35Å; D1069-R1071 IonicContact OD2-NH2 2.67Å; D1069-R1071 PolarHBondContact OD2-NH2 3.45Å; D1069-N1072 PolarHBondContact N-ND2 2.85Å; D1069-N1072 VanDerWaalsContact O-CB 3.32Å; D1069-N1072 WeakPolarHBondContact O-CB 3.44Å; D1069-N1072 PolarHBondContact O-N 2.83Å; D1069-M1078 HydrophobicContact CB-CG 4.37Å; D1069-M1078 HydrophobicContact CB-SD 3.45Å; D1069-M1078 WeakPolarHBondContact CB-SD 3.33Å
1070	A	84.4	Confident	81.9	Confident	53 Å²	53	31.9 Å²	31.9	44%	0.438	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-8.6	175.4	0	0	0	0	0	114.5	K908 R914	K908-A1070 HydrophobicContact CB-CB 4.36Å; K908-A1070 HydrophobicContact CD-CB 4.41Å; R914-A1070 VanDerWaalsContact NH2-C 3.31Å; R914-A1070 PolarHBondContact NH2-O 2.85Å
1071	R	86.8	Confident	82.5	Confident	29 Å²	29	31.1 Å²	31.1	11%	0.109	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-15.5	172.5	-65.1	172.1	-84.1	-179.4	-5.8	113.5	Y907 K908 V979 N980 Y988 D1069 M1078	Y907-R1071 PolarHBondContact OH-O 3.31Å; K908-R1071 HydrophobicContact CB-CG 4.4Å; K908-R1071 HydrophobicContact CD-CG 3.72Å; V979-R1071 HydrophobicContact CG2-CB 3.81Å; V979-R1071 HydrophobicContact CG2-CG 3.45Å; V979-R1071 VanDerWaalsContact CG2-CG 3.45Å; N980-R1071 PolarHBondContact ND2-O 3.33Å; Y988-R1071 VanDerWaalsContact CE1-NH1 3.32Å; Y988-R1071 PolarHBondContact OH-NH1 2.86Å; D1069-R1071 PolarHBondContact O-N 2.96Å; D1069-R1071 VanDerWaalsContact OD1-CB 3.25Å; D1069-R1071 WeakPolarHBondContact OD1-CB 3.09Å; D1069-R1071 WeakPolarHBondContact OD1-CG 3.48Å; D1069-R1071 IonicContact OD1-CZ 3.22Å; D1069-R1071 PolarHBondContact OD1-N 2.65Å; D1069-R1071 IonicContact OD1-NE 2.7Å; D1069-R1071 PolarHBondContact OD1-NE 2.99Å; D1069-R1071 IonicContact OD1-NH2 3.79Å; D1069-R1071 IonicContact OD2-CZ 2.77Å; D1069-R1071 IonicContact OD2-NE 3.61Å; D1069-R1071 PolarHBondContact OD2-NE 3.35Å; D1069-R1071 IonicContact OD2-NH2 2.67Å; D1069-R1071 PolarHBondContact OD2-NH2 3.45Å; R1071-M1078 HydrophobicContact CB-SD 4.35Å; R1071-M1078 PolarHBondContact NE-SD 2.96Å; R1071-M1078 PolarHBondContact NH2-SD 2.99Å
1072	N	90.3	Very high	82.6	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.141	C	C	.	.			trans	-63.8	141.9	-179.4	-67.4	-1.7	0	0	0	110.5	R914 H967 M1067 D1069 A1076 W1077 M1078	R914-N1072 VanDerWaalsContact CZ-O 3.28Å; R914-N1072 PolarHBondContact NH1-O 3.39Å; R914-N1072 PolarHBondContact NH2-O 2.98Å; H967-N1072 PolarHBondContact NE2-ND2 3.14Å; M1067-N1072 PolarHBondContact O-ND2 3.22Å; D1069-N1072 PolarHBondContact N-ND2 2.85Å; D1069-N1072 VanDerWaalsContact O-CB 3.32Å; D1069-N1072 WeakPolarHBondContact O-CB 3.44Å; D1069-N1072 PolarHBondContact O-N 2.83Å; N1072-A1076 CarbonylContact C-O 3.54Å; N1072-A1076 WeakPolarHBondContact CA-O 3.4Å; N1072-W1077 HydrophobicContact CB-CB 4.49Å; N1072-W1077 WeakPolarHBondContact OD1-CA 3.49Å; N1072-M1078 PolarHBondContact OD1-N 3.17Å
1073	T	91.7	Very high	83	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.			trans	-129.9	173.4	178.3	56.3	0	0	0	0	107.3	Y907 H967 T972 M974 G976 N1075 A1076	Y907-T1073 HydrophobicContact CE2-CG2 3.77Å; H967-T1073 PolarHBondContact CD2-O 3.22Å; H967-T1073 VanDerWaalsContact CD2-O 3.32Å; T972-T1073 WeakPolarHBondContact OG1-CA 3.25Å; M974-T1073 HydrophobicContact CB-CG2 4.18Å; M974-T1073 HydrophobicContact CG-CG2 3.94Å; M974-T1073 CarbonylContact O-C 3.48Å; M974-T1073 WeakPolarHBondContact O-CA 3.13Å; M974-T1073 VanDerWaalsContact O-CB 3.32Å; M974-T1073 WeakPolarHBondContact O-CB 3.28Å; G976-T1073 WeakPolarHBondContact O-CB 3.13Å; G976-T1073 PolarHBondContact O-OG1 2.87Å; T1073-N1075 PolarHBondContact O-N 3.48Å; T1073-N1075 VanDerWaalsContact O-N 3.13Å; T1073-N1075 PolarHBondContact OG1-N 3.06Å; T1073-A1076 PolarHBondContact N-O 3.01Å; T1073-A1076 WeakPolarHBondContact OG1-CA 3.48Å; T1073-A1076 WeakPolarHBondContact OG1-CB 3.14Å; T1073-A1076 PolarHBondContact OG1-N 3.4Å; T1073-A1076 PolarHBondContact OG1-O 2.87Å
1074	D	91.4	Very high	83.3	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.005	14%	0.137	C	C	.	.	S	Bend	trans	-61	-22.6	174.7	-62.3	-9.5	0	0	0	111.4	W924 Y931 R966 H967 T972 M974	W924-D1074 HydrophobicContact CH2-CB 4.12Å; W924-D1074 HydrophobicContact CZ2-CB 4.2Å; Y931-D1074 VanDerWaalsContact CE1-OD2 3.27Å; Y931-D1074 WeakPolarHBondContact CE1-OD2 3.46Å; Y931-D1074 PolarHBondContact OH-OD1 2.85Å; Y931-D1074 PolarHBondContact OH-OD2 3.37Å; R966-D1074 CarbonylContact C-O 3.47Å; R966-D1074 WeakPolarHBondContact CA-O 3.49Å; H967-D1074 PolarHBondContact N-O 3.37Å; T972-D1074 WeakPolarHBondContact CA-OD1 3.47Å; T972-D1074 WeakPolarHBondContact CB-OD1 3.46Å; T972-D1074 PolarHBondContact N-OD1 2.71Å; T972-D1074 PolarHBondContact OG1-N 2.77Å; T972-D1074 PolarHBondContact OG1-OD1 3.19Å; M974-D1074 WeakPolarHBondContact O-CB 3.48Å; M974-D1074 VanDerWaalsContact O-CG 3.23Å; M974-D1074 PolarHBondContact O-N 3.27Å
1075	N	91	Very high	83.4	Confident	10 Å²	10	23.3 Å²	23.3	5%	0.053	12%	0.122	C	C	.	.	S	Bend	trans	-117.3	-12.4	-173.4	-47.1	114.7	0	0	0	115.9	I961 F965 R975 G976 L983 G984 T1073	I961-N1075 WeakPolarHBondContact CD1-ND2 3.03Å; I961-N1075 WeakPolarHBondContact CG2-ND2 3.25Å; F965-N1075 VanDerWaalsContact O-CA 3.25Å; F965-N1075 WeakPolarHBondContact O-CA 3.38Å; F965-N1075 PolarHBondContact O-ND2 3.07Å; F965-N1075 VanDerWaalsContact O-ND2 3.11Å; R975-N1075 WeakPolarHBondContact CG-OD1 3.38Å; G976-N1075 PolarHBondContact N-OD1 3.38Å; L983-N1075 HydrophobicContact CD2-CB 3.78Å; G984-N1075 PolarHBondContact N-O 2.78Å; T1073-N1075 PolarHBondContact O-N 3.48Å; T1073-N1075 VanDerWaalsContact O-N 3.13Å; T1073-N1075 PolarHBondContact OG1-N 3.06Å
1076	A	91.1	Very high	83.2	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	129.9	-179.9	0	0	0	0	0	111.1	N980 G984 N1072 T1073	N980-A1076 HydrophobicContact CB-CB 4.04Å; G984-A1076 WeakPolarHBondContact O-CA 3.46Å; N1072-A1076 CarbonylContact C-O 3.54Å; N1072-A1076 WeakPolarHBondContact CA-O 3.4Å; T1073-A1076 PolarHBondContact N-O 3.01Å; T1073-A1076 WeakPolarHBondContact OG1-CA 3.48Å; T1073-A1076 WeakPolarHBondContact OG1-CB 3.14Å; T1073-A1076 PolarHBondContact OG1-N 3.4Å; T1073-A1076 PolarHBondContact OG1-O 2.87Å
1077	W	91.1	Very high	82.9	Confident	35 Å²	35	26.8 Å²	26.8	13%	0.133	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	166.4	-178	60.4	91.9	0	0	0	112.1	H967 G984 N986 N1072	H967-W1077 HydrophobicContact CB-CE3 4.33Å; H967-W1077 VanDerWaalsContact CD2-CB 3.49Å; H967-W1077 WeakPolarHBondContact CD2-CB 3.41Å; G984-W1077 PolarHBondContact O-N 2.9Å; N986-W1077 WeakPolarHBondContact CB-O 3.37Å; N986-W1077 PolarHBondContact N-O 3.21Å; N986-W1077 PolarHBondContact ND2-O 2.94Å; N1072-W1077 HydrophobicContact CB-CB 4.49Å; N1072-W1077 WeakPolarHBondContact OD1-CA 3.49Å
1078	M	89	Confident	82.3	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	131.7	178.4	-68.8	-176.2	65	0	0	111.9	N986 Y988 L1020 M1067 D1069 R1071 N1072	N986-M1078 WeakPolarHBondContact O-CA 3.33Å; Y988-M1078 HydrophobicContact CD1-CE 3.68Å; Y988-M1078 HydrophobicContact CD2-CB 4.2Å; Y988-M1078 HydrophobicContact CD2-CE 3.21Å; Y988-M1078 HydrophobicContact CD2-CG 3.84Å; Y988-M1078 HydrophobicContact CD2-SD 4.21Å; Y988-M1078 HydrophobicContact CE1-CE 3.92Å; Y988-M1078 HydrophobicContact CE2-CB 4.42Å; Y988-M1078 HydrophobicContact CE2-CE 3.49Å; Y988-M1078 VanDerWaalsContact CE2-CE 3.49Å; Y988-M1078 HydrophobicContact CE2-CG 3.61Å; Y988-M1078 HydrophobicContact CE2-SD 3.99Å; Y988-M1078 HydrophobicContact CG-CE 3.3Å; L1020-M1078 HydrophobicContact CD2-CE 4.13Å; M1067-M1078 HydrophobicContact CE-CB 4.19Å; M1067-M1078 HydrophobicContact CE-CE 3.37Å; M1067-M1078 HydrophobicContact CE-SD 3.93Å; M1067-M1078 PolarHBondContact N-O 3.01Å; D1069-M1078 HydrophobicContact CB-CG 4.37Å; D1069-M1078 HydrophobicContact CB-SD 3.45Å; D1069-M1078 WeakPolarHBondContact CB-SD 3.33Å; R1071-M1078 HydrophobicContact CB-SD 4.35Å; R1071-M1078 PolarHBondContact NE-SD 2.96Å; R1071-M1078 PolarHBondContact NH2-SD 2.99Å; N1072-M1078 PolarHBondContact OD1-N 3.17Å
1079	D	85.6	Confident	81.7	Confident	25 Å²	25	31 Å²	31	13%	0.134	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	118.2	162.8	-72.1	-9.6	0	0	0	108.5	S985 N986 I987 Y988 G1065 P1066 Y1081	S985-D1079 VanDerWaalsContact CB-OD2 3.26Å; S985-D1079 WeakPolarHBondContact CB-OD2 3.45Å; S985-D1079 PolarHBondContact OG-OD2 3.25Å; N986-D1079 PolarHBondContact O-N 2.83Å; I987-D1079 CarbonylContact C-O 3.53Å; I987-D1079 WeakPolarHBondContact CA-O 3.4Å; Y988-D1079 PolarHBondContact N-O 3.33Å; G1065-D1079 CarbonylContact O-C 3.54Å; G1065-D1079 VanDerWaalsContact O-CA 3.3Å; G1065-D1079 WeakPolarHBondContact O-CA 3.05Å; P1066-D1079 VanDerWaalsContact CA-OD1 3.28Å; P1066-D1079 WeakPolarHBondContact CA-OD1 3.47Å; D1079-Y1081 HydrophobicContact CB-CE2 4.06Å
1080	L	81.8	Confident	80.8	Confident	12 Å²	12	32.4 Å²	32.4	6%	0.063	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	133.3	179.9	-172.7	76.4	0	0	0	110.2	Y988 H990 L1020 Y1063 G1064 G1065 M1067	Y988-L1080 CarbonylContact O-C 3.47Å; Y988-L1080 WeakPolarHBondContact O-CA 3.49Å; H990-L1080 HydrophobicContact CB-CD1 3.67Å; H990-L1080 HydrophobicContact CB-CD2 4.35Å; H990-L1080 HydrophobicContact CB-CG 4.16Å; L1020-L1080 HydrophobicContact CD1-CD1 3.36Å; Y1063-L1080 HydrophobicContact CD1-CB 4.1Å; Y1063-L1080 HydrophobicContact CD1-CD2 4.2Å; Y1063-L1080 HydrophobicContact CD1-CG 4.32Å; Y1063-L1080 WeakPolarHBondContact CD1-O 3.34Å; Y1063-L1080 HydrophobicContact CE1-CB 3.88Å; Y1063-L1080 HydrophobicContact CE1-CD2 4.49Å; Y1063-L1080 WeakPolarHBondContact CE1-O 3.33Å; G1064-L1080 VanDerWaalsContact CA-O 3.3Å; G1064-L1080 WeakPolarHBondContact CA-O 3.44Å; G1065-L1080 PolarHBondContact N-O 3.44Å; G1065-L1080 PolarHBondContact O-N 2.85Å; M1067-L1080 HydrophobicContact CB-CB 3.87Å; M1067-L1080 HydrophobicContact CE-CB 4.29Å; M1067-L1080 HydrophobicContact CE-CD1 4.17Å; M1067-L1080 HydrophobicContact CG-CB 4.45Å; M1067-L1080 HydrophobicContact SD-CB 3.94Å; M1067-L1080 HydrophobicContact SD-CD1 4.15Å; M1067-L1080 HydrophobicContact SD-CD2 3.67Å; M1067-L1080 HydrophobicContact SD-CG 4.13Å
1081	Y	79.6	Confident	79.9	Confident	72 Å²	72	30.1 Å²	30.1	28%	0.282	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	106.5	170.2	-70.8	-104.1	0	0	0	109.6	I987 Y988 S989 H990 Y1063 D1079 H1083	I987-Y1081 HydrophobicContact CG1-CE2 4.38Å; I987-Y1081 HydrophobicContact CG2-CD2 3.6Å; I987-Y1081 HydrophobicContact CG2-CE2 3.81Å; Y988-Y1081 PolarHBondContact O-N 3.17Å; S989-Y1081 WeakPolarHBondContact CA-O 3.36Å; H990-Y1081 PolarHBondContact N-O 2.87Å; Y1063-Y1081 CarbonylContact O-C 3.3Å; Y1063-Y1081 VanDerWaalsContact O-CA 3.3Å; Y1063-Y1081 WeakPolarHBondContact O-CA 3.32Å; D1079-Y1081 HydrophobicContact CB-CE2 4.06Å; Y1081-H1083 PolarHBondContact O-ND1 3.06Å
1082	S	74.5	Confident	78.7	Confident	8 Å²	8	35.3 Å²	35.3	6%	0.056	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	132.8	-179	-58.7	0	0	0	0	110.5	H990 L1062 Y1063	H990-S1082 PolarHBondContact ND1-OG 2.79Å; H990-S1082 CarbonylContact O-C 3.56Å; H990-S1082 VanDerWaalsContact O-CA 3.25Å; H990-S1082 WeakPolarHBondContact O-CA 3.34Å; L1062-S1082 PolarHBondContact N-O 2.98Å; Y1063-S1082 PolarHBondContact N-O 2.84Å; Y1063-S1082 PolarHBondContact O-N 2.85Å
1083	H	76.6	Confident	77.3	Confident	26 Å²	26	41.8 Å²	41.8	12%	0.12	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.1	177.9	-55.5	78.9	0	0	0	111.2	H990 L991 L992 K1060 Y1081	H990-H1083 PolarHBondContact O-N 3.16Å; L991-H1083 HydrophobicContact CD2-CB 3.87Å; L992-H1083 PolarHBondContact N-O 2.8Å; K1060-H1083 CarbonylContact O-C 3.02Å; K1060-H1083 WeakPolarHBondContact O-CA 3.49Å; Y1081-H1083 PolarHBondContact O-ND1 3.06Å
1084	V	76.6	Confident	75.8	Confident	24 Å²	24	43 Å²	43	15%	0.145	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.1	170.8	163.8	0	0	0	0	110.4	L992 T1059 K1060 L1062	L992-V1084 HydrophobicContact CB-CG2 3.91Å; L992-V1084 HydrophobicContact CD2-CG2 3.85Å; L992-V1084 HydrophobicContact CG-CG2 4.16Å; L992-V1084 WeakPolarHBondContact O-CA 3.45Å; T1059-V1084 WeakPolarHBondContact CA-O 3.25Å; T1059-V1084 WeakPolarHBondContact CB-O 3.37Å; K1060-V1084 PolarHBondContact N-O 2.8Å; K1060-V1084 PolarHBondContact O-N 3.38Å; L1062-V1084 HydrophobicContact CD1-CG2 3.41Å; L1062-V1084 VanDerWaalsContact CD1-CG2 3.41Å; L1062-V1084 HydrophobicContact CD2-CG2 3.99Å; L1062-V1084 HydrophobicContact CG-CG2 3.72Å
1085	I	76.1	Confident	74.3	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.01	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	115.8	172.7	-39.7	-157.5	0	0	0	108.3	L992 I993 L994 F1028 V1055 T1059 L1091	L992-I1085 PolarHBondContact O-N 3.25Å; I993-I1085 WeakPolarHBondContact CA-O 3.32Å; I993-I1085 HydrophobicContact CG1-CB 4.35Å; I993-I1085 HydrophobicContact CG1-CD1 4.42Å; I993-I1085 HydrophobicContact CG1-CG1 4.29Å; L994-I1085 PolarHBondContact N-O 2.94Å; F1028-I1085 HydrophobicContact CE1-CD1 4.2Å; F1028-I1085 HydrophobicContact CE2-CD1 4.25Å; F1028-I1085 HydrophobicContact CZ-CD1 3.4Å; F1028-I1085 VanDerWaalsContact CZ-CD1 3.4Å; V1055-I1085 HydrophobicContact CG1-CD1 3.9Å; V1055-I1085 HydrophobicContact CG1-CG2 4.38Å; T1059-I1085 HydrophobicContact CG2-CB 4.34Å; T1059-I1085 HydrophobicContact CG2-CD1 3.52Å; T1059-I1085 HydrophobicContact CG2-CG1 3.48Å; T1059-I1085 VanDerWaalsContact CG2-CG1 3.48Å; T1059-I1085 HydrophobicContact CG2-CG2 4.43Å; I1085-L1091 HydrophobicContact CG2-CD1 4.22Å; I1085-L1091 HydrophobicContact CG2-CD2 4.29Å; I1085-L1091 HydrophobicContact CG2-CG 4.49Å
1086	S	73.5	Confident	72.9	Confident	75 Å²	75	53.4 Å²	53.4	52%	0.524	26%	0.258	S	S	.	.			trans	-131.8	4.6	-178.9	54.9	0	0	0	0	113.4	L994 D1088	L994-S1086 WeakPolarHBondContact O-CA 3.21Å; S1086-D1088 PolarHBondContact O-N 3.15Å
1087	D	68.1	Low	71.1	Confident	54 Å²	54	54.2 Å²	54.2	29%	0.289	27%	0.267	S	S	.	.			trans	-79.7	106.6	-176.2	-172.2	-15.4	0	0	0	110.8	V1058 K1089 Y1090 L1091	V1058-D1087 HydrophobicContact CG2-CB 4.21Å; D1087-K1089 PolarHBondContact O-N 3.2Å; D1087-K1089 VanDerWaalsContact O-N 3.09Å; D1087-K1089 WeakPolarHBondContact OD1-CB 3.42Å; D1087-K1089 PolarHBondContact OD1-N 2.79Å; D1087-Y1090 HydrophobicContact CB-CD2 3.96Å; D1087-Y1090 HydrophobicContact CB-CE2 4.44Å; D1087-Y1090 PolarHBondContact O-N 2.9Å; D1087-Y1090 VanDerWaalsContact O-N 3.12Å; D1087-Y1090 VanDerWaalsContact OD2-CE2 3.3Å; D1087-Y1090 WeakPolarHBondContact OD2-CE2 3.45Å; D1087-L1091 WeakPolarHBondContact O-CG 3.43Å
1088	D	67.4	Low	69.8	Low	39 Å²	39	56.9 Å²	56.9	21%	0.209	30%	0.296	C	S	.	.	H	α-helix	trans	-55.2	-26.9	179.9	-73.3	-37.8	0	0	0	112.3	K996 S1086 Y1090 L1091 Q1092	K996-D1088 PolarHBondContact N-OD1 3.05Å; K996-D1088 VanDerWaalsContact N-OD1 3.16Å; S1086-D1088 PolarHBondContact O-N 3.15Å; D1088-Y1090 PolarHBondContact O-N 2.98Å; D1088-L1091 PolarHBondContact O-N 3.48Å; D1088-Q1092 HydrophobicContact CB-CG 4.4Å; D1088-Q1092 VanDerWaalsContact O-CG 3.29Å; D1088-Q1092 WeakPolarHBondContact O-CG 3.31Å; D1088-Q1092 PolarHBondContact O-N 3.49Å
1089	K	66.2	Low	68.3	Low	155 Å²	155	61.5 Å²	61.5	67%	0.674	32%	0.321	S	S	*	.	H	α-helix	trans	-56.4	-34.5	178	-175.1	-179.1	177.3	-179.1	0	112.9	D1087	D1087-K1089 PolarHBondContact O-N 3.2Å; D1087-K1089 VanDerWaalsContact O-N 3.09Å; D1087-K1089 WeakPolarHBondContact OD1-CB 3.42Å; D1087-K1089 PolarHBondContact OD1-N 2.79Å
1090	Y	64.1	Low	67.4	Low	60 Å²	60	60.7 Å²	60.7	24%	0.235	32%	0.317	C	S	.	.	H	α-helix	trans	-100.6	-14.4	-176.7	-58.1	-78.1	0	0	0	113.1	V1055 V1058 D1087 D1088	V1055-Y1090 HydrophobicContact CG2-CD1 3.59Å; V1055-Y1090 HydrophobicContact CG2-CD2 4.37Å; V1055-Y1090 HydrophobicContact CG2-CE1 4.08Å; V1055-Y1090 HydrophobicContact CG2-CG 3.75Å; V1058-Y1090 HydrophobicContact CG1-CE2 4.33Å; V1058-Y1090 HydrophobicContact CG2-CD2 4.01Å; V1058-Y1090 HydrophobicContact CG2-CE2 3.62Å; D1087-Y1090 HydrophobicContact CB-CD2 3.96Å; D1087-Y1090 HydrophobicContact CB-CE2 4.44Å; D1087-Y1090 PolarHBondContact O-N 2.9Å; D1087-Y1090 VanDerWaalsContact O-N 3.12Å; D1087-Y1090 VanDerWaalsContact OD2-CE2 3.3Å; D1087-Y1090 WeakPolarHBondContact OD2-CE2 3.45Å; D1088-Y1090 PolarHBondContact O-N 2.98Å
1091	L	66.3	Low	67	Low	4 Å²	4	64.2 Å²	64.2	2%	0.021	33%	0.333	C	S	.	.	H	α-helix	trans	-105.5	-20.2	-168.9	-61.6	176.4	0	0	0	114.2	I993 L994 K995 I1085 D1087 D1088 N1093 I1094	I993-L1091 HydrophobicContact CG2-CD1 4.09Å; I993-L1091 HydrophobicContact CG2-CD2 3.63Å; L994-L1091 WeakPolarHBondContact O-CD1 3.3Å; K995-L1091 HydrophobicContact CB-CB 4.02Å; K995-L1091 HydrophobicContact CB-CD1 4.25Å; I1085-L1091 HydrophobicContact CG2-CD1 4.22Å; I1085-L1091 HydrophobicContact CG2-CD2 4.29Å; I1085-L1091 HydrophobicContact CG2-CG 4.49Å; D1087-L1091 WeakPolarHBondContact O-CG 3.43Å; D1088-L1091 PolarHBondContact O-N 3.48Å; L1091-N1093 PolarHBondContact O-N 2.9Å; L1091-I1094 HydrophobicContact CD2-CD1 3.74Å; L1091-I1094 PolarHBondContact O-N 3.45Å
1092	Q	61.2	Low	67	Low	139 Å²	139	61.2 Å²	61.2	65%	0.65	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.6	-177	-78.8	-179.3	10.5	0	0	114.3	D1088	D1088-Q1092 HydrophobicContact CB-CG 4.4Å; D1088-Q1092 VanDerWaalsContact O-CG 3.29Å; D1088-Q1092 WeakPolarHBondContact O-CG 3.31Å; D1088-Q1092 PolarHBondContact O-N 3.49Å
1093	N	59.8	Low	67.4	Low	137 Å²	137	62.6 Å²	62.6	73%	0.733	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-0.2	-177	-66.6	-23.7	0	0	0	114.3	L1091 K1095	L1091-N1093 PolarHBondContact O-N 2.9Å; N1093-K1095 PolarHBondContact O-N 3.31Å; N1093-K1095 VanDerWaalsContact O-N 3.09Å
1094	I	62	Low	67.8	Low	24 Å²	24	63 Å²	63	12%	0.123	33%	0.33	C	S	.	.			trans	-80.6	97.7	-177.6	-57.7	179	0	0	0	109.7	L1032 L1091 W1104	L1032-I1094 HydrophobicContact CD2-CD1 4.18Å; L1032-I1094 HydrophobicContact CD2-CG1 4.13Å; L1032-I1094 HydrophobicContact CD2-CG2 4.14Å; L1091-I1094 HydrophobicContact CD2-CD1 3.74Å; L1091-I1094 PolarHBondContact O-N 3.45Å; I1094-W1104 HydrophobicContact CB-CZ2 4.45Å; I1094-W1104 HydrophobicContact CG2-CZ2 4.42Å
1095	K	58.5	Low	68.2	Low	184 Å²	184	63.4 Å²	63.4	80%	0.8	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-99.7	128.1	168.6	-67	-176.2	-179.8	178	0	109.4	N1093	N1093-K1095 PolarHBondContact O-N 3.31Å; N1093-K1095 VanDerWaalsContact O-N 3.09Å
1096	H	62.5	Low	68.5	Low	46 Å²	46	66.3 Å²	66.3	21%	0.213	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-88.4	133.3	176.8	-55.4	-55.4	0	0	0	110.8	L1005 A1031 W1104	L1005-H1096 WeakPolarHBondContact CD1-NE2 3.18Å; A1031-H1096 PolarHBondContact O-CE1 3.42Å; A1031-H1096 PolarHBondContact O-ND1 2.87Å; H1096-W1104 AromaticContact CD2-CD1 3.39Å; H1096-W1104 AromaticContact CD2-NE1 3.49Å; H1096-W1104 PolarHBondContact CD2-NE1 3.48Å; H1096-W1104 AromaticContact CE1-NE1 3.81Å; H1096-W1104 AromaticContact NE2-CD1 3.19Å; H1096-W1104 AromaticContact NE2-CE2 3.53Å; H1096-W1104 AromaticContact NE2-CG 3.94Å; H1096-W1104 AromaticContact NE2-NE1 2.9Å; H1096-W1104 PolarHBondContact NE2-NE1 3.42Å
1097	G	53.1	Low	68.8	Low	18 Å²	18	65.1 Å²	65.1	19%	0.186	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-64.4	160	164.7	0	0	0	0	0	111.9	D1099 S1100	G1097-D1099 VanDerWaalsContact C-OD1 3.26Å; G1097-D1099 WeakPolarHBondContact CA-OD1 2.98Å; G1097-D1099 PolarHBondContact O-N 3.09Å; G1097-S1100 WeakPolarHBondContact O-CB 3.19Å; G1097-S1100 PolarHBondContact O-N 3.38Å; G1097-S1100 VanDerWaalsContact O-N 3.09Å
1098	A	62.5	Low	69.2	Low	90 Å²	90	66.6 Å²	66.6	74%	0.744	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.5	178.1	0	0	0	0	0	113.3	R1008	R1008-A1098 PolarHBondContact NH1-O 3.24Å
1099	D	59.1	Low	69.5	Low	98 Å²	98	72.2 Å²	72.2	52%	0.524	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-3.7	-179.3	56.9	-25.2	0	0	0	114.7	K1034 G1097	K1034-D1099 VanDerWaalsContact CB-OD2 3.29Å; K1034-D1099 WeakPolarHBondContact CB-OD2 3.25Å; G1097-D1099 VanDerWaalsContact C-OD1 3.26Å; G1097-D1099 WeakPolarHBondContact CA-OD1 2.98Å; G1097-D1099 PolarHBondContact O-N 3.09Å
1100	S	66.8	Low	69.9	Low	7 Å²	7	68.8 Å²	68.8	5%	0.049	36%	0.362	C	S	.	.			trans	-63.2	137.2	178.5	-179.5	0	0	0	0	112.8	G1097 F1102	G1097-S1100 WeakPolarHBondContact O-CB 3.19Å; G1097-S1100 PolarHBondContact O-N 3.38Å; G1097-S1100 VanDerWaalsContact O-N 3.09Å; S1100-F1102 PolarHBondContact O-N 3.23Å; S1100-F1102 PolarHBondContact OG-N 3.04Å; S1100-F1102 PolarHBondContact OG-O 2.83Å
1101	E	72	Confident	70.1	Confident	86 Å²	86	66 Å²	66	40%	0.402	35%	0.351	S	S	.	.	S	Bend	trans	-69.8	-9	169.4	-74.2	-158.4	-169.4	0	0	113	R1007 R1008	R1007-E1101 CarbonylContact C-O 3.58Å; R1007-E1101 WeakPolarHBondContact CG-O 3.28Å; R1007-E1101 IonicContact CZ-OE2 2.76Å; R1007-E1101 IonicContact NE-OE2 2.7Å; R1007-E1101 PolarHBondContact NE-OE2 3.06Å; R1007-E1101 IonicContact NH2-OE2 3.83Å; R1007-E1101 PolarHBondContact NH2-OE2 3.33Å; R1008-E1101 WeakPolarHBondContact CB-O 3.09Å; R1008-E1101 PolarHBondContact N-O 3.14Å
1102	F	79.6	Confident	70.2	Confident	9 Å²	9	68.8 Å²	68.8	4%	0.039	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	155.2	-173.6	-58.5	-85.5	0	0	0	112	L1005 M1006 R1007 P1019 F1021 H1030 A1031 S1100	L1005-F1102 HydrophobicContact CD1-CB 4.02Å; L1005-F1102 HydrophobicContact CD2-CB 4.35Å; L1005-F1102 HydrophobicContact CG-CB 4.17Å; M1006-F1102 CarbonylContact O-C 3.57Å; M1006-F1102 VanDerWaalsContact O-CA 3.3Å; M1006-F1102 WeakPolarHBondContact O-CA 3.35Å; R1007-F1102 HydrophobicContact CB-CD1 4.43Å; R1007-F1102 HydrophobicContact CB-CE1 4.43Å; R1007-F1102 HydrophobicContact CG-CE1 4.34Å; P1019-F1102 HydrophobicContact CB-CD1 4.31Å; P1019-F1102 HydrophobicContact CB-CE1 3.63Å; P1019-F1102 HydrophobicContact CB-CZ 4.24Å; P1019-F1102 HydrophobicContact CG-CD1 3.94Å; P1019-F1102 HydrophobicContact CG-CE1 3.75Å; F1021-F1102 HydrophobicContact CE1-CE2 4.29Å; F1021-F1102 AromaticContact CE1-CZ 3.83Å; F1021-F1102 HydrophobicContact CE1-CZ 3.83Å; F1021-F1102 HydrophobicContact CZ-CE1 4.33Å; F1021-F1102 HydrophobicContact CZ-CE2 4.34Å; F1021-F1102 AromaticContact CZ-CZ 3.76Å; F1021-F1102 HydrophobicContact CZ-CZ 3.76Å; H1030-F1102 HydrophobicContact CB-CE2 4.08Å; H1030-F1102 WeakPolarHBondContact O-CD2 3.3Å; A1031-F1102 HydrophobicContact CB-CD2 3.98Å; A1031-F1102 HydrophobicContact CB-CE2 4.26Å; A1031-F1102 HydrophobicContact CB-CG 4.46Å; S1100-F1102 PolarHBondContact O-N 3.23Å; S1100-F1102 PolarHBondContact OG-N 3.04Å; S1100-F1102 PolarHBondContact OG-O 2.83Å
1103	T	84.4	Confident	70.6	Confident	37 Å²	37	67.4 Å²	67.4	23%	0.227	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	147.6	178.6	-165.7	0	0	0	0	110.4	M1006 R1008 V1011	M1006-T1103 PolarHBondContact N-O 3.26Å; M1006-T1103 PolarHBondContact O-N 2.92Å; R1008-T1103 HydrophobicContact CB-CG2 4.27Å; R1008-T1103 HydrophobicContact CG-CG2 4.49Å; V1011-T1103 HydrophobicContact CB-CG2 4.41Å; V1011-T1103 HydrophobicContact CG2-CG2 4.1Å
1104	W	83.7	Confident	71	Confident	35 Å²	35	64.2 Å²	64.2	13%	0.133	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	134.5	166.4	-67.8	108	0	0	0	109.5	I993 K995 Q1003 L1005 I1094 H1096	I993-W1104 HydrophobicContact CG2-CH2 3.69Å; I993-W1104 HydrophobicContact CG2-CZ3 4.15Å; K995-W1104 HydrophobicContact CB-CH2 3.99Å; K995-W1104 HydrophobicContact CB-CZ3 4.03Å; K995-W1104 HydrophobicContact CD-CD2 3.89Å; K995-W1104 HydrophobicContact CD-CE3 3.98Å; K995-W1104 HydrophobicContact CD-CH2 3.72Å; K995-W1104 HydrophobicContact CD-CZ2 3.64Å; K995-W1104 HydrophobicContact CD-CZ3 3.9Å; K995-W1104 VanDerWaalsContact CE-CD2 3.46Å; K995-W1104 HydrophobicContact CG-CD2 4.28Å; K995-W1104 HydrophobicContact CG-CE3 3.86Å; K995-W1104 HydrophobicContact CG-CH2 3.82Å; K995-W1104 HydrophobicContact CG-CZ2 4.27Å; K995-W1104 HydrophobicContact CG-CZ3 3.61Å; K995-W1104 VanDerWaalsContact NZ-CD1 3.34Å; K995-W1104 VanDerWaalsContact NZ-NE1 3.17Å; Q1003-W1104 HydrophobicContact CB-CB 4.3Å; Q1003-W1104 HydrophobicContact CB-CD2 4.49Å; Q1003-W1104 HydrophobicContact CB-CE3 3.88Å; L1005-W1104 HydrophobicContact CB-CE3 4.24Å; L1005-W1104 HydrophobicContact CB-CH2 4.35Å; L1005-W1104 HydrophobicContact CB-CZ3 3.98Å; L1005-W1104 HydrophobicContact CD1-CD2 4.09Å; L1005-W1104 HydrophobicContact CD1-CE3 4.3Å; L1005-W1104 HydrophobicContact CD1-CH2 4.49Å; L1005-W1104 HydrophobicContact CD1-CZ2 4.25Å; I1094-W1104 HydrophobicContact CB-CZ2 4.45Å; I1094-W1104 HydrophobicContact CG2-CZ2 4.42Å; H1096-W1104 AromaticContact CD2-CD1 3.39Å; H1096-W1104 AromaticContact CD2-NE1 3.49Å; H1096-W1104 PolarHBondContact CD2-NE1 3.48Å; H1096-W1104 AromaticContact CE1-NE1 3.81Å; H1096-W1104 AromaticContact NE2-CD1 3.19Å; H1096-W1104 AromaticContact NE2-CE2 3.53Å; H1096-W1104 AromaticContact NE2-CG 3.94Å; H1096-W1104 AromaticContact NE2-NE1 2.9Å; H1096-W1104 PolarHBondContact NE2-NE1 3.42Å
1105	L	84.9	Confident	71.3	Confident	33 Å²	33	64.1 Å²	64.1	17%	0.173	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	127	174.3	-159	102	0	0	0	108.9	Q1003 V1004 M1006 V1011 F1016 I1107 T1111	Q1003-L1105 CarbonylContact C-O 2.79Å; Q1003-L1105 VanDerWaalsContact CA-O 3.25Å; Q1003-L1105 WeakPolarHBondContact CA-O 3.2Å; V1004-L1105 HydrophobicContact CG1-CB 4.18Å; V1004-L1105 PolarHBondContact N-O 3.46Å; V1004-L1105 PolarHBondContact O-N 3.17Å; M1006-L1105 HydrophobicContact CG-CB 4.37Å; V1011-L1105 HydrophobicContact CB-CD1 4.5Å; V1011-L1105 HydrophobicContact CG1-CD1 3.52Å; V1011-L1105 HydrophobicContact CG2-CD1 4.11Å; F1016-L1105 HydrophobicContact CD1-CD2 4.09Å; F1016-L1105 HydrophobicContact CE1-CD2 3.63Å; L1105-I1107 PolarHBondContact O-N 2.97Å; L1105-T1111 HydrophobicContact CD2-CG2 3.51Å; L1105-T1111 WeakPolarHBondContact CD2-OG1 3.27Å
1106	S	83.8	Confident	71.6	Confident	63 Å²	63	60.4 Å²	60.4	44%	0.441	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	131.9	174.6	-59.6	0	0	0	0	110.2	N1108 T1111	S1106-N1108 PolarHBondContact O-N 3.35Å; S1106-T1111 PolarHBondContact O-OG1 3.23Å
1107	I	78.8	Confident	71.6	Confident	50 Å²	50	61.4 Å²	61.4	26%	0.256	33%	0.326	S	S	.	.			trans	-75.5	97.9	178	-61.8	173.4	0	0	0	108	L994 K1002 V1004 L1105 T1111 E1112 L1115	L994-I1107 HydrophobicContact CD2-CD1 3.95Å; K1002-I1107 HydrophobicContact CB-CB 4.48Å; K1002-I1107 HydrophobicContact CB-CD1 3.88Å; K1002-I1107 HydrophobicContact CB-CG1 4.47Å; K1002-I1107 PolarHBondContact O-N 3.1Å; V1004-I1107 HydrophobicContact CB-CD1 4.25Å; V1004-I1107 HydrophobicContact CB-CG1 4.21Å; V1004-I1107 HydrophobicContact CG1-CG1 4.05Å; L1105-I1107 PolarHBondContact O-N 2.97Å; I1107-T1111 HydrophobicContact CG1-CG2 4.48Å; I1107-E1112 HydrophobicContact CG2-CB 4.27Å; I1107-L1115 HydrophobicContact CD1-CD1 4.22Å; I1107-L1115 HydrophobicContact CG1-CD1 4.33Å; I1107-L1115 HydrophobicContact CG2-CD1 4.48Å
1108	N	77.9	Confident	72	Confident	85 Å²	85	61.4 Å²	61.4	46%	0.455	32%	0.322	S	S	.	.			trans	-102.9	179.7	169.9	67.4	14.1	0	0	0	110.3	S1106 T1110 T1111 E1112	S1106-N1108 PolarHBondContact O-N 3.35Å; N1108-T1110 VanDerWaalsContact C-N 3.29Å; N1108-T1110 PolarHBondContact O-N 2.85Å; N1108-T1110 PolarHBondContact OD1-N 2.83Å; N1108-T1111 PolarHBondContact O-N 2.86Å; N1108-T1111 WeakPolarHBondContact OD1-CB 3.29Å; N1108-T1111 PolarHBondContact OD1-N 3.14Å; N1108-T1111 PolarHBondContact OD1-OG1 2.98Å; N1108-E1112 WeakPolarHBondContact O-CB 3.14Å; N1108-E1112 PolarHBondContact O-N 3.12Å
1109	K	73.3	Confident	71.8	Confident	156 Å²	156	60.6 Å²	60.6	68%	0.678	30%	0.304	S	S	*	.	H	α-helix	trans	-53.3	-42.2	-178.1	-157.7	178.9	-178.4	-175	0	113.5	E1112 E1113	K1109-E1112 PolarHBondContact O-N 3.45Å; K1109-E1113 WeakPolarHBondContact O-CB 3.36Å; K1109-E1113 WeakPolarHBondContact O-CG 3.43Å; K1109-E1113 PolarHBondContact O-N 3.35Å
1110	T	73.1	Confident	71.7	Confident	84 Å²	84	58.5 Å²	58.5	52%	0.515	30%	0.295	S	S	.	.	H	α-helix	trans	-66.4	-41.4	177	-46.3	0	0	0	0	112.6	N1108 E1112 Y1114	N1108-T1110 VanDerWaalsContact C-N 3.29Å; N1108-T1110 PolarHBondContact O-N 2.85Å; N1108-T1110 PolarHBondContact OD1-N 2.83Å; T1110-E1112 VanDerWaalsContact C-N 3.32Å; T1110-Y1114 WeakPolarHBondContact O-CB 3.13Å; T1110-Y1114 PolarHBondContact O-N 2.88Å
1111	T	69.7	Low	71	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.012	32%	0.322	C	S	.	.	H	α-helix	trans	-69.3	-36.7	177.6	-44.2	0	0	0	0	110.6	V1004 L1105 S1106 I1107 N1108 Y1114 L1115	V1004-T1111 HydrophobicContact CG1-CG2 4.04Å; L1105-T1111 HydrophobicContact CD2-CG2 3.51Å; L1105-T1111 WeakPolarHBondContact CD2-OG1 3.27Å; S1106-T1111 PolarHBondContact O-OG1 3.23Å; I1107-T1111 HydrophobicContact CG1-CG2 4.48Å; N1108-T1111 PolarHBondContact O-N 2.86Å; N1108-T1111 WeakPolarHBondContact OD1-CB 3.29Å; N1108-T1111 PolarHBondContact OD1-N 3.14Å; N1108-T1111 PolarHBondContact OD1-OG1 2.98Å; T1111-Y1114 PolarHBondContact O-N 2.95Å; T1111-L1115 HydrophobicContact CG2-CD1 4.32Å; T1111-L1115 WeakPolarHBondContact O-CB 3.27Å; T1111-L1115 VanDerWaalsContact O-CG 3.25Å; T1111-L1115 WeakPolarHBondContact O-CG 3.38Å; T1111-L1115 PolarHBondContact O-N 2.87Å
1112	E	68	Low	69.8	Low	61 Å²	61	64.3 Å²	64.3	29%	0.285	32%	0.321	S	S	.	.	H	α-helix	trans	-68.6	-42.5	176.8	-162.7	-167.9	149.3	0	0	111.3	I1107 N1108 K1109 T1110 Y1114 L1115 K1116	I1107-E1112 HydrophobicContact CG2-CB 4.27Å; N1108-E1112 WeakPolarHBondContact O-CB 3.14Å; N1108-E1112 PolarHBondContact O-N 3.12Å; K1109-E1112 PolarHBondContact O-N 3.45Å; T1110-E1112 VanDerWaalsContact C-N 3.32Å; E1112-Y1114 VanDerWaalsContact C-N 3.32Å; E1112-L1115 PolarHBondContact O-N 3.06Å; E1112-K1116 VanDerWaalsContact O-CB 3.31Å; E1112-K1116 WeakPolarHBondContact O-CB 3.35Å; E1112-K1116 VanDerWaalsContact O-CG 3.3Å; E1112-K1116 WeakPolarHBondContact O-CG 3.43Å; E1112-K1116 PolarHBondContact O-N 3.17Å; E1112-K1116 IonicContact OE1-NZ 2.82Å; E1112-K1116 PolarHBondContact OE1-NZ 2.91Å
1113	E	70.1	Confident	68.5	Low	111 Å²	111	65.5 Å²	65.5	52%	0.519	33%	0.327	S	S	.	.	H	α-helix	trans	-61.2	-40.3	171.5	-79.9	169.6	-173.3	0	0	111.6	K1109 K1116 D1117	K1109-E1113 WeakPolarHBondContact O-CB 3.36Å; K1109-E1113 WeakPolarHBondContact O-CG 3.43Å; K1109-E1113 PolarHBondContact O-N 3.35Å; E1113-K1116 CarbonylContact O-C 3.48Å; E1113-K1116 WeakPolarHBondContact O-CB 3.37Å; E1113-K1116 PolarHBondContact O-N 3.42Å; E1113-D1117 WeakPolarHBondContact O-CB 3.46Å; E1113-D1117 PolarHBondContact O-N 3.43Å
1114	Y	68	Low	66.4	Low	69 Å²	69	66.4 Å²	66.4	27%	0.271	33%	0.333	S	S	.	.	H	α-helix	trans	-68.1	-44.1	175.3	-178.9	-100.7	0	0	0	112.7	F1016 T1110 T1111 E1112 K1116 D1117 I1118	F1016-Y1114 HydrophobicContact CB-CD1 3.3Å; F1016-Y1114 HydrophobicContact CB-CD2 4.28Å; F1016-Y1114 HydrophobicContact CB-CE1 2.94Å; F1016-Y1114 HydrophobicContact CB-CE2 4.03Å; F1016-Y1114 HydrophobicContact CB-CG 3.97Å; F1016-Y1114 HydrophobicContact CD1-CD1 4.46Å; F1016-Y1114 AromaticContact CD2-CD1 3.71Å; F1016-Y1114 HydrophobicContact CD2-CD1 3.71Å; F1016-Y1114 AromaticContact CD2-CD2 3.61Å; F1016-Y1114 HydrophobicContact CD2-CD2 3.61Å; F1016-Y1114 HydrophobicContact CD2-CE1 4.07Å; F1016-Y1114 HydrophobicContact CD2-CE2 4Å; F1016-Y1114 AromaticContact CD2-CG 3.46Å; F1016-Y1114 HydrophobicContact CD2-CG 3.46Å; F1016-Y1114 VanDerWaalsContact CD2-CG 3.46Å; F1016-Y1114 HydrophobicContact CE2-CD2 4.36Å; F1016-Y1114 HydrophobicContact CE2-CG 4.13Å; F1016-Y1114 AromaticContact CG-CD1 3.61Å; F1016-Y1114 HydrophobicContact CG-CD1 3.61Å; F1016-Y1114 HydrophobicContact CG-CD2 4.32Å; F1016-Y1114 AromaticContact CG-CE1 3.8Å; F1016-Y1114 HydrophobicContact CG-CE1 3.8Å; F1016-Y1114 HydrophobicContact CG-CE2 4.49Å; F1016-Y1114 AromaticContact CG-CG 3.89Å; F1016-Y1114 HydrophobicContact CG-CG 3.89Å; F1016-Y1114 VanDerWaalsContact O-CE1 3.32Å; F1016-Y1114 WeakPolarHBondContact O-CE1 3.45Å; F1016-Y1114 VanDerWaalsContact O-CZ 3.27Å; F1016-Y1114 PolarHBondContact O-OH 3.48Å; T1110-Y1114 WeakPolarHBondContact O-CB 3.13Å; T1110-Y1114 PolarHBondContact O-N 2.88Å; T1111-Y1114 PolarHBondContact O-N 2.95Å; E1112-Y1114 VanDerWaalsContact C-N 3.32Å; Y1114-K1116 VanDerWaalsContact C-N 3.27Å; Y1114-K1116 PolarHBondContact O-N 2.88Å; Y1114-D1117 PolarHBondContact O-N 2.88Å; Y1114-I1118 HydrophobicContact CD1-CD1 3.5Å; Y1114-I1118 HydrophobicContact CD1-CG1 4.17Å; Y1114-I1118 HydrophobicContact CE1-CD1 2.92Å; Y1114-I1118 HydrophobicContact CE1-CG1 3.62Å; Y1114-I1118 HydrophobicContact CE2-CD1 4.45Å; Y1114-I1118 HydrophobicContact CE2-CG1 4.29Å; Y1114-I1118 HydrophobicContact CG-CD1 4.44Å; Y1114-I1118 VanDerWaalsContact CZ-CD1 3.5Å; Y1114-I1118 WeakPolarHBondContact O-CG1 3.15Å; Y1114-I1118 PolarHBondContact O-N 3.26Å
1115	L	66.8	Low	64.5	Low	22 Å²	22	69.9 Å²	69.9	12%	0.115	35%	0.354	C	S	.	.	H	α-helix	trans	-62.3	-38.5	174.1	-75.1	169.2	0	0	0	110.5	L992 M1006 I1107 T1111 E1112 I1118 L1119	L992-L1115 HydrophobicContact CD1-CD2 4.32Å; M1006-L1115 HydrophobicContact CE-CD2 4.25Å; I1107-L1115 HydrophobicContact CD1-CD1 4.22Å; I1107-L1115 HydrophobicContact CG1-CD1 4.33Å; I1107-L1115 HydrophobicContact CG2-CD1 4.48Å; T1111-L1115 HydrophobicContact CG2-CD1 4.32Å; T1111-L1115 WeakPolarHBondContact O-CB 3.27Å; T1111-L1115 VanDerWaalsContact O-CG 3.25Å; T1111-L1115 WeakPolarHBondContact O-CG 3.38Å; T1111-L1115 PolarHBondContact O-N 2.87Å; E1112-L1115 PolarHBondContact O-N 3.06Å; L1115-I1118 HydrophobicContact CD2-CD1 4.46Å; L1115-I1118 PolarHBondContact O-N 3.2Å; L1115-L1119 VanDerWaalsContact O-CB 3.25Å; L1115-L1119 WeakPolarHBondContact O-CB 3.27Å; L1115-L1119 WeakPolarHBondContact O-CD1 3.39Å; L1115-L1119 WeakPolarHBondContact O-CG 3.27Å; L1115-L1119 PolarHBondContact O-N 2.79Å
1116	K	64.7	Low	62.6	Low	106 Å²	106	71.4 Å²	71.4	46%	0.461	36%	0.36	S	S	.	.	H	α-helix	trans	-61.2	-49.8	170.4	-80.6	171.2	177.8	159.6	0	110.8	E1112 E1113 Y1114 I1118 L1119 V1120	E1112-K1116 VanDerWaalsContact O-CB 3.31Å; E1112-K1116 WeakPolarHBondContact O-CB 3.35Å; E1112-K1116 VanDerWaalsContact O-CG 3.3Å; E1112-K1116 WeakPolarHBondContact O-CG 3.43Å; E1112-K1116 PolarHBondContact O-N 3.17Å; E1112-K1116 IonicContact OE1-NZ 2.82Å; E1112-K1116 PolarHBondContact OE1-NZ 2.91Å; E1113-K1116 CarbonylContact O-C 3.48Å; E1113-K1116 WeakPolarHBondContact O-CB 3.37Å; E1113-K1116 PolarHBondContact O-N 3.42Å; Y1114-K1116 VanDerWaalsContact C-N 3.27Å; Y1114-K1116 PolarHBondContact O-N 2.88Å; K1116-I1118 VanDerWaalsContact C-N 3.3Å; K1116-I1118 PolarHBondContact O-N 3.27Å; K1116-L1119 CarbonylContact O-C 3.55Å; K1116-L1119 PolarHBondContact O-N 2.75Å; K1116-L1119 VanDerWaalsContact O-N 3.08Å; K1116-V1120 VanDerWaalsContact O-CB 3.28Å; K1116-V1120 WeakPolarHBondContact O-CB 3.42Å; K1116-V1120 WeakPolarHBondContact O-CG2 3.18Å; K1116-V1120 PolarHBondContact O-N 2.82Å
1117	D	63.2	Low	60.6	Low	67 Å²	67	69.6 Å²	69.6	36%	0.358	35%	0.347	S	S	.	.	H	α-helix	trans	-59.6	-39.7	178.8	-174.1	51	0	0	0	112.1	E1113 Y1114 K1121	E1113-D1117 WeakPolarHBondContact O-CB 3.46Å; E1113-D1117 PolarHBondContact O-N 3.43Å; Y1114-D1117 PolarHBondContact O-N 2.88Å; D1117-K1121 VanDerWaalsContact O-CB 3.25Å; D1117-K1121 WeakPolarHBondContact O-CB 3.5Å; D1117-K1121 VanDerWaalsContact O-CG 3.22Å; D1117-K1121 WeakPolarHBondContact O-CG 3.23Å; D1117-K1121 PolarHBondContact O-N 2.76Å; D1117-K1121 WeakPolarHBondContact OD1-CE 3.36Å; D1117-K1121 IonicContact OD1-NZ 3.24Å; D1117-K1121 PolarHBondContact OD1-NZ 3.33Å; D1117-K1121 WeakPolarHBondContact OD2-CE 3.45Å; D1117-K1121 IonicContact OD2-NZ 2.74Å; D1117-K1121 PolarHBondContact OD2-NZ 2.8Å
1118	I	62.5	Low	58.8	Low	19 Å²	19	75.3 Å²	75.3	10%	0.097	37%	0.372	C	S	.	.	H	α-helix	trans	-64.6	-48.7	171.5	-66.5	163.9	0	0	0	111.3	M1018 Y1114 L1115 K1116 V1120 K1121 L1122	M1018-I1118 HydrophobicContact CE-CD1 3.67Å; M1018-I1118 HydrophobicContact CE-CG1 4.47Å; M1018-I1118 HydrophobicContact CE-CG2 3.71Å; Y1114-I1118 HydrophobicContact CD1-CD1 3.5Å; Y1114-I1118 HydrophobicContact CD1-CG1 4.17Å; Y1114-I1118 HydrophobicContact CE1-CD1 2.92Å; Y1114-I1118 HydrophobicContact CE1-CG1 3.62Å; Y1114-I1118 HydrophobicContact CE2-CD1 4.45Å; Y1114-I1118 HydrophobicContact CE2-CG1 4.29Å; Y1114-I1118 HydrophobicContact CG-CD1 4.44Å; Y1114-I1118 VanDerWaalsContact CZ-CD1 3.5Å; Y1114-I1118 WeakPolarHBondContact O-CG1 3.15Å; Y1114-I1118 PolarHBondContact O-N 3.26Å; L1115-I1118 HydrophobicContact CD2-CD1 4.46Å; L1115-I1118 PolarHBondContact O-N 3.2Å; K1116-I1118 VanDerWaalsContact C-N 3.3Å; K1116-I1118 PolarHBondContact O-N 3.27Å; I1118-V1120 VanDerWaalsContact C-N 3.28Å; I1118-V1120 PolarHBondContact O-N 3.49Å; I1118-K1121 PolarHBondContact O-N 3.2Å; I1118-L1122 HydrophobicContact CG2-CD1 3.37Å; I1118-L1122 HydrophobicContact CG2-CG 3.98Å; I1118-L1122 VanDerWaalsContact O-CB 3.26Å; I1118-L1122 WeakPolarHBondContact O-CB 3.25Å; I1118-L1122 WeakPolarHBondContact O-CG 3.44Å; I1118-L1122 PolarHBondContact O-N 3.4Å
1119	L	58.4	Low	57	Low	72 Å²	72	78 Å²	78	38%	0.377	38%	0.382	S	S	.	.	H	α-helix	trans	-63.7	-37.5	-179	-72.8	168.4	0	0	0	110.4	L1115 K1116 L1122 F1123	L1115-L1119 VanDerWaalsContact O-CB 3.25Å; L1115-L1119 WeakPolarHBondContact O-CB 3.27Å; L1115-L1119 WeakPolarHBondContact O-CD1 3.39Å; L1115-L1119 WeakPolarHBondContact O-CG 3.27Å; L1115-L1119 PolarHBondContact O-N 2.79Å; K1116-L1119 CarbonylContact O-C 3.55Å; K1116-L1119 PolarHBondContact O-N 2.75Å; K1116-L1119 VanDerWaalsContact O-N 3.08Å; L1119-L1122 PolarHBondContact O-N 2.88Å; L1119-F1123 HydrophobicContact CB-CD2 4.32Å; L1119-F1123 HydrophobicContact CD2-CD2 3.78Å; L1119-F1123 HydrophobicContact CD2-CE2 3.64Å; L1119-F1123 VanDerWaalsContact O-CA 3.27Å; L1119-F1123 WeakPolarHBondContact O-CA 3.13Å; L1119-F1123 WeakPolarHBondContact O-CB 3.4Å; L1119-F1123 WeakPolarHBondContact O-CD2 3.44Å; L1119-F1123 PolarHBondContact O-N 3.18Å
1120	V	55.8	Low	55.3	Low	55 Å²	55	74.3 Å²	74.3	33%	0.333	37%	0.37	S	S	.	.	H	α-helix	trans	-68.3	-39.4	174.7	171.5	0	0	0	0	111	K1116 I1118 F1123 P1124 T1127	K1116-V1120 VanDerWaalsContact O-CB 3.28Å; K1116-V1120 WeakPolarHBondContact O-CB 3.42Å; K1116-V1120 WeakPolarHBondContact O-CG2 3.18Å; K1116-V1120 PolarHBondContact O-N 2.82Å; I1118-V1120 VanDerWaalsContact C-N 3.28Å; I1118-V1120 PolarHBondContact O-N 3.49Å; V1120-F1123 CarbonylContact O-C 3.49Å; V1120-P1124 WeakPolarHBondContact O-CA 3.34Å; V1120-P1124 WeakPolarHBondContact O-CB 3.46Å; V1120-P1124 WeakPolarHBondContact O-CD 3.3Å; V1120-P1124 VanDerWaalsContact O-N 3.11Å; V1120-T1127 HydrophobicContact CB-CG2 4.44Å; V1120-T1127 HydrophobicContact CG1-CG2 4.18Å; V1120-T1127 HydrophobicContact CG2-CG2 3.48Å; V1120-T1127 VanDerWaalsContact CG2-CG2 3.48Å
1121	K	51.5	Low	53.7	Low	139 Å²	139	76 Å²	76	60%	0.604	37%	0.374	S	S	*	.	H	α-helix	trans	-71	-29.5	174.5	-78	170.1	179.1	162.7	0	113.4	D1117 I1118	D1117-K1121 VanDerWaalsContact O-CB 3.25Å; D1117-K1121 WeakPolarHBondContact O-CB 3.5Å; D1117-K1121 VanDerWaalsContact O-CG 3.22Å; D1117-K1121 WeakPolarHBondContact O-CG 3.23Å; D1117-K1121 PolarHBondContact O-N 2.76Å; D1117-K1121 WeakPolarHBondContact OD1-CE 3.36Å; D1117-K1121 IonicContact OD1-NZ 3.24Å; D1117-K1121 PolarHBondContact OD1-NZ 3.33Å; D1117-K1121 WeakPolarHBondContact OD2-CE 3.45Å; D1117-K1121 IonicContact OD2-NZ 2.74Å; D1117-K1121 PolarHBondContact OD2-NZ 2.8Å; I1118-K1121 PolarHBondContact O-N 3.2Å
1122	L	47.2	Very low	52.2	Low	75 Å²	75	82 Å²	82	39%	0.393	40%	0.4	S	S	.	.	H	α-helix	trans	-89.6	-25.1	178.4	-68.5	175.5	0	0	0	112.5	I1118 L1119	I1118-L1122 HydrophobicContact CG2-CD1 3.37Å; I1118-L1122 HydrophobicContact CG2-CG 3.98Å; I1118-L1122 VanDerWaalsContact O-CB 3.26Å; I1118-L1122 WeakPolarHBondContact O-CB 3.25Å; I1118-L1122 WeakPolarHBondContact O-CG 3.44Å; I1118-L1122 PolarHBondContact O-N 3.4Å; L1119-L1122 PolarHBondContact O-N 2.88Å
1123	F	52	Low	50.7	Low	35 Å²	35	85.3 Å²	85.3	15%	0.154	43%	0.427	C	S	.	.			trans	-143	58.1	-171.3	-45.5	-72.8	0	0	0	112	L1062 L1119 V1120 D1125 E1126 T1127	L1062-F1123 HydrophobicContact CB-CZ 4.5Å; L1119-F1123 HydrophobicContact CB-CD2 4.32Å; L1119-F1123 HydrophobicContact CD2-CD2 3.78Å; L1119-F1123 HydrophobicContact CD2-CE2 3.64Å; L1119-F1123 VanDerWaalsContact O-CA 3.27Å; L1119-F1123 WeakPolarHBondContact O-CA 3.13Å; L1119-F1123 WeakPolarHBondContact O-CB 3.4Å; L1119-F1123 WeakPolarHBondContact O-CD2 3.44Å; L1119-F1123 PolarHBondContact O-N 3.18Å; V1120-F1123 CarbonylContact O-C 3.49Å; F1123-D1125 VanDerWaalsContact C-N 3.31Å; F1123-D1125 PolarHBondContact O-N 3.35Å; F1123-E1126 PolarHBondContact O-N 2.86Å; F1123-T1127 PolarHBondContact O-OG1 3.43Å
1124	P	41.4	Very low	49.1	Very low	55 Å²	55	85.7 Å²	85.7	36%	0.357	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-60.6	-33.8	-170.1	20.7	-31.7	0	0	0	114.3	V1120 E1126 T1127 T1153	V1120-P1124 WeakPolarHBondContact O-CA 3.34Å; V1120-P1124 WeakPolarHBondContact O-CB 3.46Å; V1120-P1124 WeakPolarHBondContact O-CD 3.3Å; V1120-P1124 VanDerWaalsContact O-N 3.11Å; P1124-E1126 PolarHBondContact O-N 3.48Å; P1124-T1127 VanDerWaalsContact O-CB 3.25Å; P1124-T1127 WeakPolarHBondContact O-CB 3.03Å; P1124-T1127 PolarHBondContact O-N 2.03Å; P1124-T1127 PolarHBondContact O-OG1 3.5Å; P1124-T1153 HydrophobicContact CG-CG2 4.12Å
1125	D	43.7	Very low	47.7	Very low	109 Å²	109	84.3 Å²	84.3	58%	0.583	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-82.2	-11.1	-174.1	-58.2	-29	0	0	0	114	F1123 T1153	F1123-D1125 VanDerWaalsContact C-N 3.31Å; F1123-D1125 PolarHBondContact O-N 3.35Å; D1125-T1153 HydrophobicContact CB-CG2 4.48Å; D1125-T1153 WeakPolarHBondContact OD2-CG2 3.12Å
1126	E	45.5	Very low	46.6	Very low	64 Å²	64	86 Å²	86	30%	0.299	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-91.6	-7.1	176.2	-66	177.6	175.7	0	0	112.2	F1123 P1124 E1128 E1129 L1130	F1123-E1126 PolarHBondContact O-N 2.86Å; P1124-E1126 PolarHBondContact O-N 3.48Å; E1126-E1128 VanDerWaalsContact C-N 3.34Å; E1126-E1128 PolarHBondContact O-N 2.76Å; E1126-E1129 PolarHBondContact O-N 3.35Å; E1126-L1130 HydrophobicContact CB-CD1 3.97Å; E1126-L1130 WeakPolarHBondContact O-CB 3.47Å; E1126-L1130 WeakPolarHBondContact O-CD1 3.29Å; E1126-L1130 WeakPolarHBondContact O-CG 3.36Å; E1126-L1130 PolarHBondContact O-N 3.34Å
1127	T	40.9	Very low	45.5	Very low	26 Å²	26	84.7 Å²	84.7	16%	0.16	46%	0.455	C	S	.	.	H	α-helix	trans	-64.9	-35	-171.7	-50.4	0	0	0	0	112.1	V1120 F1123 P1124 I1131	V1120-T1127 HydrophobicContact CB-CG2 4.44Å; V1120-T1127 HydrophobicContact CG1-CG2 4.18Å; V1120-T1127 HydrophobicContact CG2-CG2 3.48Å; V1120-T1127 VanDerWaalsContact CG2-CG2 3.48Å; F1123-T1127 PolarHBondContact O-OG1 3.43Å; P1124-T1127 VanDerWaalsContact O-CB 3.25Å; P1124-T1127 WeakPolarHBondContact O-CB 3.03Å; P1124-T1127 PolarHBondContact O-N 2.03Å; P1124-T1127 PolarHBondContact O-OG1 3.5Å; T1127-I1131 HydrophobicContact CG2-CD1 3.33Å; T1127-I1131 HydrophobicContact CG2-CG1 4.28Å; T1127-I1131 WeakPolarHBondContact O-CB 3.38Å; T1127-I1131 WeakPolarHBondContact O-CD1 3.47Å; T1127-I1131 WeakPolarHBondContact O-CG1 2.92Å; T1127-I1131 PolarHBondContact O-N 2.81Å
1128	E	42.1	Very low	44.3	Very low	170 Å²	170	89.9 Å²	89.9	79%	0.794	47%	0.474	S	S	*	.	H	α-helix	trans	-73	-31.9	178.2	-83.3	-170	151.8	0	0	113.8	E1126	E1126-E1128 VanDerWaalsContact C-N 3.34Å; E1126-E1128 PolarHBondContact O-N 2.76Å
1129	E	39.8	Very low	43.3	Very low	141 Å²	141	94.5 Å²	94.5	66%	0.659	50%	0.495	S	S	*	.	H	α-helix	trans	-79.6	-35.3	175.2	-77.5	-148.1	136.9	0	0	112.6	E1126 I1131	E1126-E1129 PolarHBondContact O-N 3.35Å; E1129-I1131 VanDerWaalsContact C-N 3.26Å; E1129-I1131 PolarHBondContact O-N 3.49Å
1130	L	37	Very low	42.4	Very low	79 Å²	79	93.3 Å²	93.3	41%	0.414	49%	0.487	S	S	.	.	H	α-helix	trans	-67.8	-25.5	175.7	-77.7	160.7	0	0	0	112.7	E1126 K1140	E1126-L1130 HydrophobicContact CB-CD1 3.97Å; E1126-L1130 WeakPolarHBondContact O-CB 3.47Å; E1126-L1130 WeakPolarHBondContact O-CD1 3.29Å; E1126-L1130 WeakPolarHBondContact O-CG 3.36Å; E1126-L1130 PolarHBondContact O-N 3.34Å; L1130-K1140 PolarHBondContact O-NZ 3.3Å
1131	I	38.8	Very low	41.6	Very low	120 Å²	120	95.2 Å²	95.2	62%	0.615	50%	0.495	S	S	*	.	H	α-helix	trans	-91.8	-11	-174.8	-68.3	174.1	0	0	0	114.1	T1127 E1129	T1127-I1131 HydrophobicContact CG2-CD1 3.33Å; T1127-I1131 HydrophobicContact CG2-CG1 4.28Å; T1127-I1131 WeakPolarHBondContact O-CB 3.38Å; T1127-I1131 WeakPolarHBondContact O-CD1 3.47Å; T1127-I1131 WeakPolarHBondContact O-CG1 2.92Å; T1127-I1131 PolarHBondContact O-N 2.81Å; E1129-I1131 VanDerWaalsContact C-N 3.26Å; E1129-I1131 PolarHBondContact O-N 3.49Å
1132	K	38.4	Very low	41	Very low	126 Å²	126	93.3 Å²	93.3	55%	0.548	49%	0.491	S	S	.	.	S	Bend	trans	-57.9	139.3	177.5	-81.8	179.3	-178	168.1	0	112.4	T1134 K1140	K1132-T1134 PolarHBondContact O-N 3.32Å; K1132-K1140 PolarHBondContact O-NZ 2.97Å
1133	P	36	Very low	40.6	Very low	132 Å²	132	94.6 Å²	94.6	86%	0.857	50%	0.501	S	S	*	.	S	Bend	trans	-71.1	-2.8	-163	-16.6	31.1	0	0	0	115.8
1134	T	36.7	Very low	40.1	Very low	118 Å²	118	96.7 Å²	96.7	72%	0.724	51%	0.514	S	S	*	.	S	Bend	trans	-109.9	121	-171.5	49.2	0	0	0	0	110.5	K1132	K1132-T1134 PolarHBondContact O-N 3.32Å
1135	G	39.6	Very low	39.9	Very low	40 Å²	40	100.1 Å²	100.1	41%	0.412	53%	0.525	S	S	.	.	S	Bend	trans	114.8	128.7	173.2	0	0	0	0	0	113	E1139 K1140	G1135-E1139 WeakPolarHBondContact CA-OE2 3.46Å; G1135-K1140 WeakPolarHBondContact O-CE 3.24Å
1136	S	43.7	Very low	39.6	Very low	59 Å²	59	102 Å²	102	41%	0.413	54%	0.535	S	S	.	.			trans	-63.5	153.4	176.5	67.9	0	0	0	0	110.2	K1138 E1139 K1140	S1136-K1138 PolarHBondContact O-N 3.08Å; S1136-K1138 WeakPolarHBondContact OG-CB 3.24Å; S1136-K1138 PolarHBondContact OG-N 3.4Å; S1136-E1139 PolarHBondContact N-OE2 2.87Å; S1136-E1139 PolarHBondContact O-N 2.99Å; S1136-E1139 PolarHBondContact OG-N 3.01Å; S1136-E1139 PolarHBondContact OG-OE2 3.4Å; S1136-K1140 PolarHBondContact O-N 3.49Å; S1136-K1140 VanDerWaalsContact O-N 3.1Å
1137	I	42	Very low	39.1	Very low	77 Å²	77	104.1 Å²	104.1	40%	0.395	55%	0.548	S	S	.	.	H	α-helix	trans	-49.5	-23.7	167.9	-83.9	171.4	0	0	0	111.7	L1141	I1137-L1141 HydrophobicContact CG2-CD1 3.56Å; I1137-L1141 WeakPolarHBondContact O-CB 2.91Å; I1137-L1141 VanDerWaalsContact O-CD1 3.31Å; I1137-L1141 WeakPolarHBondContact O-CD1 3.46Å; I1137-L1141 PolarHBondContact O-N 2.79Å
1138	K	37.4	Very low	39.1	Very low	176 Å²	176	110.7 Å²	110.7	77%	0.765	58%	0.582	S	S	*	*	H	α-helix	trans	-65.3	-34.3	175.2	-146.5	-178.3	179.2	-174	0	113	S1136	S1136-K1138 PolarHBondContact O-N 3.08Å; S1136-K1138 WeakPolarHBondContact OG-CB 3.24Å; S1136-K1138 PolarHBondContact OG-N 3.4Å
1139	E	40.9	Very low	38.9	Very low	117 Å²	117	107 Å²	107	55%	0.547	57%	0.567	S	S	.	*	H	α-helix	trans	-91.1	-33.7	177.4	-71.3	155.1	143.6	0	0	111.6	G1135 S1136 L1141 L1142	G1135-E1139 WeakPolarHBondContact CA-OE2 3.46Å; S1136-E1139 PolarHBondContact N-OE2 2.87Å; S1136-E1139 PolarHBondContact O-N 2.99Å; S1136-E1139 PolarHBondContact OG-N 3.01Å; S1136-E1139 PolarHBondContact OG-OE2 3.4Å; E1139-L1141 PolarHBondContact O-N 2.92Å; E1139-L1142 WeakPolarHBondContact O-CB 3.47Å; E1139-L1142 PolarHBondContact O-N 3.46Å
1140	K	39.5	Very low	38.7	Very low	47 Å²	47	103 Å²	103	20%	0.204	55%	0.552	C	S	.	*	H	α-helix	trans	-72	-25.4	-179.9	-66.5	-178.8	173	-174.7	0	114	L1130 K1132 G1135 S1136	L1130-K1140 PolarHBondContact O-NZ 3.3Å; K1132-K1140 PolarHBondContact O-NZ 2.97Å; G1135-K1140 WeakPolarHBondContact O-CE 3.24Å; S1136-K1140 PolarHBondContact O-N 3.49Å; S1136-K1140 VanDerWaalsContact O-N 3.1Å
1141	L	39.6	Very low	38.7	Very low	94 Å²	94	110.2 Å²	110.2	49%	0.492	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77	-18.6	173	-102.2	116.8	0	0	0	113.9	I1137 E1139	I1137-L1141 HydrophobicContact CG2-CD1 3.56Å; I1137-L1141 WeakPolarHBondContact O-CB 2.91Å; I1137-L1141 VanDerWaalsContact O-CD1 3.31Å; I1137-L1141 WeakPolarHBondContact O-CD1 3.46Å; I1137-L1141 PolarHBondContact O-N 2.79Å; E1139-L1141 PolarHBondContact O-N 2.92Å
1142	L	39.7	Very low	38.6	Very low	100 Å²	100	111.6 Å²	111.6	52%	0.524	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.1	-26.4	173.8	-91.5	145.8	0	0	0	111.8	E1139 L1144 E1145	E1139-L1142 WeakPolarHBondContact O-CB 3.47Å; E1139-L1142 PolarHBondContact O-N 3.46Å; L1142-L1144 VanDerWaalsContact C-N 3.29Å; L1142-L1144 PolarHBondContact O-N 3.32Å; L1142-E1145 VanDerWaalsContact O-CB 3.32Å; L1142-E1145 WeakPolarHBondContact O-CB 3.47Å; L1142-E1145 VanDerWaalsContact O-CD 3.31Å; L1142-E1145 WeakPolarHBondContact O-CG 3.41Å; L1142-E1145 PolarHBondContact O-N 3.16Å
1143	V	38.5	Very low	38.4	Very low	101 Å²	101	106.6 Å²	106.6	61%	0.612	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-73.9	-16.3	-179.8	178.9	0	0	0	0	113.4	E1145	V1143-E1145 PolarHBondContact O-N 3.23Å
1144	L	40.7	Very low	38.5	Very low	79 Å²	79	102 Å²	102	41%	0.414	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-67.2	5.2	173	-73.3	166.7	0	0	0	113.3	K1060 L1142	K1060-L1144 VanDerWaalsContact CE-O 3.29Å; K1060-L1144 WeakPolarHBondContact CE-O 3.4Å; K1060-L1144 PolarHBondContact NZ-O 3.47Å; L1142-L1144 VanDerWaalsContact C-N 3.29Å; L1142-L1144 PolarHBondContact O-N 3.32Å
1145	E	37.2	Very low	38.7	Very low	127 Å²	127	104 Å²	104	59%	0.593	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-78.4	-16.6	-173.7	-75.3	176.7	170.4	0	0	115.1	L1142 V1143	L1142-E1145 VanDerWaalsContact O-CB 3.32Å; L1142-E1145 WeakPolarHBondContact O-CB 3.47Å; L1142-E1145 VanDerWaalsContact O-CD 3.31Å; L1142-E1145 WeakPolarHBondContact O-CG 3.41Å; L1142-E1145 PolarHBondContact O-N 3.16Å; V1143-E1145 PolarHBondContact O-N 3.23Å
1146	D	37.2	Very low	38.6	Very low	149 Å²	149	107.3 Å²	107.3	80%	0.797	53%	0.532	S	S	*	.	S	Bend	trans	-125.6	-3	-164.3	-81.6	-27	0	0	0	119.4
1147	L	36	Very low	38.3	Very low	109 Å²	109	106.5 Å²	106.5	57%	0.571	53%	0.529	S	S	*	.			trans	-109.2	112.1	-165.3	-69.5	167.9	0	0	0	116.5	I1149	L1147-I1149 HydrophobicContact CB-CG1 4.49Å; L1147-I1149 HydrophobicContact CD2-CD1 3.83Å; L1147-I1149 HydrophobicContact CD2-CG1 4.47Å; L1147-I1149 PolarHBondContact O-N 3.35Å; L1147-I1149 VanDerWaalsContact O-N 3.15Å
1148	D	39.7	Very low	38.2	Very low	163 Å²	163	104.3 Å²	104.3	87%	0.872	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	33	179.1	-154.9	9.1	0	0	0	113.9
1149	I	37.6	Very low	38.2	Very low	92 Å²	92	100 Å²	100	47%	0.472	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-6.7	-162.9	-59.2	-177.9	0	0	0	113.8	L1147 R1151 Q1152	L1147-I1149 HydrophobicContact CB-CG1 4.49Å; L1147-I1149 HydrophobicContact CD2-CD1 3.83Å; L1147-I1149 HydrophobicContact CD2-CG1 4.47Å; L1147-I1149 PolarHBondContact O-N 3.35Å; L1147-I1149 VanDerWaalsContact O-N 3.15Å; I1149-R1151 PolarHBondContact O-N 3.42Å; I1149-Q1152 PolarHBondContact O-N 2.9Å; I1149-Q1152 VanDerWaalsContact O-N 3.09Å
1150	V	36.7	Very low	38	Very low	57 Å²	57	98.6 Å²	98.6	35%	0.345	52%	0.517	S	S	.	.	H	α-helix	trans	-50.1	-25.2	179.7	-179.7	0	0	0	0	113.9	Y1063 I1154	Y1063-V1150 HydrophobicContact CD2-CG1 4.04Å; V1150-I1154 HydrophobicContact CG1-CD1 3.83Å; V1150-I1154 WeakPolarHBondContact O-CD1 3.47Å
1151	R	37.8	Very low	37.9	Very low	232 Å²	232	99.4 Å²	99.4	88%	0.875	53%	0.532	S	S	*	.	H	α-helix	trans	-71.6	-26.4	-178.9	-106.7	178.9	-179.3	167.9	1	115.3	I1149	I1149-R1151 PolarHBondContact O-N 3.42Å
1152	Q	35.8	Very low	37.5	Very low	148 Å²	148	99.5 Å²	99.5	69%	0.692	53%	0.533	S	S	*	.	H	α-helix	trans	-90.3	-33.5	-176.4	-71.1	-162.4	0.9	0	0	112.8	I1149 K1155	I1149-Q1152 PolarHBondContact O-N 2.9Å; I1149-Q1152 VanDerWaalsContact O-N 3.09Å; Q1152-K1155 WeakPolarHBondContact O-CB 3.34Å; Q1152-K1155 PolarHBondContact O-N 3.39Å
1153	T	34.1	Very low	37.4	Very low	22 Å²	22	99.5 Å²	99.5	14%	0.135	53%	0.533	C	S	.	.	H	α-helix	trans	-76.1	-30.8	-172.9	-45.4	0	0	0	0	113.4	P1124 D1125 K1155 L1156 A1157	P1124-T1153 HydrophobicContact CG-CG2 4.12Å; D1125-T1153 HydrophobicContact CB-CG2 4.48Å; D1125-T1153 WeakPolarHBondContact OD2-CG2 3.12Å; T1153-K1155 VanDerWaalsContact C-N 3.3Å; T1153-K1155 PolarHBondContact O-N 3.01Å; T1153-L1156 WeakPolarHBondContact O-CB 3.43Å; T1153-L1156 PolarHBondContact O-N 3.39Å; T1153-L1156 VanDerWaalsContact O-N 3.13Å; T1153-A1157 PolarHBondContact O-N 3.32Å
1154	I	39	Very low	37.3	Very low	34 Å²	34	99.4 Å²	99.4	17%	0.174	53%	0.529	C	S	.	.	H	α-helix	trans	-70	-24.6	171.9	-75.8	98.8	0	0	0	112.5	Y1063 V1150 L1156 N1158	Y1063-I1154 HydrophobicContact CD2-CD1 3.51Å; Y1063-I1154 HydrophobicContact CD2-CG1 4.1Å; Y1063-I1154 HydrophobicContact CE2-CB 4.35Å; Y1063-I1154 HydrophobicContact CE2-CD1 3.29Å; Y1063-I1154 HydrophobicContact CE2-CG1 3.45Å; Y1063-I1154 VanDerWaalsContact CE2-CG1 3.45Å; Y1063-I1154 HydrophobicContact CE2-CG2 4.38Å; V1150-I1154 HydrophobicContact CG1-CD1 3.83Å; V1150-I1154 WeakPolarHBondContact O-CD1 3.47Å; I1154-L1156 PolarHBondContact O-N 3.14Å; I1154-N1158 VanDerWaalsContact O-CB 3.26Å; I1154-N1158 WeakPolarHBondContact O-CB 3.44Å; I1154-N1158 PolarHBondContact O-N 3.34Å; I1154-N1158 PolarHBondContact O-ND2 2.93Å
1155	K	39.1	Very low	37.1	Very low	160 Å²	160	100.5 Å²	100.5	70%	0.696	54%	0.536	S	S	*	.	H	α-helix	trans	-63.3	-33.7	169.8	-82.1	-177.7	171.5	-178.8	0	111.4	Q1152 T1153 C1159	Q1152-K1155 WeakPolarHBondContact O-CB 3.34Å; Q1152-K1155 PolarHBondContact O-N 3.39Å; T1153-K1155 VanDerWaalsContact C-N 3.3Å; T1153-K1155 PolarHBondContact O-N 3.01Å; K1155-C1159 PolarHBondContact O-N 3.24Å; K1155-C1159 VanDerWaalsContact O-N 3.14Å; K1155-C1159 PolarHBondContact O-SG 3.36Å
1156	L	37.9	Very low	37.1	Very low	111 Å²	111	98.9 Å²	98.9	58%	0.581	53%	0.532	S	S	*	.	H	α-helix	trans	-79.4	-39.9	177.9	-92.1	140.6	0	0	0	113	T1153 I1154 N1158 C1159 A1160	T1153-L1156 WeakPolarHBondContact O-CB 3.43Å; T1153-L1156 PolarHBondContact O-N 3.39Å; T1153-L1156 VanDerWaalsContact O-N 3.13Å; I1154-L1156 PolarHBondContact O-N 3.14Å; L1156-N1158 VanDerWaalsContact C-N 3.35Å; L1156-C1159 CarbonylContact O-C 3.52Å; L1156-C1159 WeakPolarHBondContact O-CA 3.33Å; L1156-C1159 VanDerWaalsContact O-CB 3.29Å; L1156-C1159 WeakPolarHBondContact O-CB 3.35Å; L1156-C1159 PolarHBondContact O-N 3.24Å; L1156-A1160 PolarHBondContact O-N 3.03Å
1157	A	38.8	Very low	37.1	Very low	42 Å²	42	95.8 Å²	95.8	35%	0.347	52%	0.516	S	S	.	.	H	α-helix	trans	-66.6	-36.6	174.1	0	0	0	0	0	112.3	T1153 C1159 A1160 A1161	T1153-A1157 PolarHBondContact O-N 3.32Å; A1157-C1159 VanDerWaalsContact C-N 3.29Å; A1157-A1160 PolarHBondContact O-N 3.04Å; A1157-A1161 PolarHBondContact O-N 2.89Å; A1157-A1161 VanDerWaalsContact O-N 3.08Å
1158	N	39.3	Very low	37.2	Very low	31 Å²	31	94.9 Å²	94.9	17%	0.166	51%	0.512	C	S	.	.	H	α-helix	trans	-65	-33.2	168.5	-76.4	-22.4	0	0	0	111.5	I1154 L1156 L1162	I1154-N1158 VanDerWaalsContact O-CB 3.26Å; I1154-N1158 WeakPolarHBondContact O-CB 3.44Å; I1154-N1158 PolarHBondContact O-N 3.34Å; I1154-N1158 PolarHBondContact O-ND2 2.93Å; L1156-N1158 VanDerWaalsContact C-N 3.35Å; N1158-L1162 VanDerWaalsContact O-CB 3.26Å; N1158-L1162 WeakPolarHBondContact O-CB 3.37Å; N1158-L1162 VanDerWaalsContact O-CD1 3.23Å; N1158-L1162 WeakPolarHBondContact O-CD1 3.28Å; N1158-L1162 WeakPolarHBondContact O-CG 3.49Å; N1158-L1162 PolarHBondContact O-N 3.39Å
1159	C	37.6	Very low	37	Very low	84 Å²	84	90.1 Å²	90.1	57%	0.568	49%	0.486	S	S	*	.	H	α-helix	trans	-69.8	-24.2	172	-81.3	0	0	0	0	114.7	K1155 L1156 A1157	K1155-C1159 PolarHBondContact O-N 3.24Å; K1155-C1159 VanDerWaalsContact O-N 3.14Å; K1155-C1159 PolarHBondContact O-SG 3.36Å; L1156-C1159 CarbonylContact O-C 3.52Å; L1156-C1159 WeakPolarHBondContact O-CA 3.33Å; L1156-C1159 VanDerWaalsContact O-CB 3.29Å; L1156-C1159 WeakPolarHBondContact O-CB 3.35Å; L1156-C1159 PolarHBondContact O-N 3.24Å; A1157-C1159 VanDerWaalsContact C-N 3.29Å
1160	A	37.1	Very low	37	Very low	88 Å²	88	89.9 Å²	89.9	73%	0.727	49%	0.488	S	S	*	.	H	α-helix	trans	-90.6	-20	177.3	0	0	0	0	0	113.2	L1156 A1157	L1156-A1160 PolarHBondContact O-N 3.03Å; A1157-A1160 PolarHBondContact O-N 3.04Å
1161	A	36.2	Very low	37	Very low	64 Å²	64	92.7 Å²	92.7	53%	0.529	50%	0.499	S	S	.	.	H	α-helix	trans	-92.5	-17.6	170.9	0	0	0	0	0	113	A1157	A1157-A1161 PolarHBondContact O-N 2.89Å; A1157-A1161 VanDerWaalsContact O-N 3.08Å
1162	L	31.6	Very low	36.9	Very low	96 Å²	96	80 Å²	80	50%	0.503	47%	0.465	S	S	.	.			trans	-65.5	0	158.5	-84.7	156.1	0	0	0	108.6	E919 R922 N1158	E919-L1162 WeakPolarHBondContact OE1-CD2 3.37Å; R922-L1162 VanDerWaalsContact CZ-CD2 3.49Å; R922-L1162 VanDerWaalsContact NH1-CD2 3.34Å; R922-L1162 PolarHBondContact NH1-O 3.33Å; N1158-L1162 VanDerWaalsContact O-CB 3.26Å; N1158-L1162 WeakPolarHBondContact O-CB 3.37Å; N1158-L1162 VanDerWaalsContact O-CD1 3.23Å; N1158-L1162 WeakPolarHBondContact O-CD1 3.28Å; N1158-L1162 WeakPolarHBondContact O-CG 3.49Å; N1158-L1162 PolarHBondContact O-N 3.39Å

Retrieved 1,162 of 1,162 residues in 1152.7 ms (Link to these results)

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