A0A3Q0KRA4_SCHMA Loading...

UDENN domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KRA4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 718 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	64.8	Low	83.5	Confident	52 Å²	52	89.1 Å²	89.1	26%	0.256	41%	0.412	S	S	.	.				0	-53.2	0	-164.5	157.3	77.4	0	0	113.5	L207 L210 S211 I217	M1-L207 HydrophobicContact CE-CD2 3.82Å; M1-L210 HydrophobicContact CG-CB 4.27Å; M1-L210 HydrophobicContact SD-CB 3.36Å; M1-L210 WeakPolarHBondContact SD-CB 3.49Å; M1-S211 PolarHBondContact SD-N 3.39Å; M1-I217 WeakPolarHBondContact O-CG2 3.45Å
2	F	79.6	Confident	84.3	Confident	6 Å²	6	83 Å²	83	3%	0.026	38%	0.384	C	S	.	.			trans	-124.3	7.8	-173.6	-57.9	-60.9	0	0	0	115.4	N4 R5 L6 I67 V75 F77 P97 L207 I222	F2-N4 VanDerWaalsContact C-N 3.32Å; F2-N4 PolarHBondContact O-N 3.17Å; F2-N4 VanDerWaalsContact O-N 3.14Å; F2-R5 CarbonylContact O-C 3.58Å; F2-R5 WeakPolarHBondContact O-CA 3.26Å; F2-R5 WeakPolarHBondContact O-CB 3.39Å; F2-R5 PolarHBondContact O-N 3.15Å; F2-L6 HydrophobicContact CB-CD2 3.8Å; F2-L6 WeakPolarHBondContact O-CG 3.23Å; F2-L6 PolarHBondContact O-N 3.45Å; F2-I67 HydrophobicContact CZ-CD1 3.9Å; F2-V75 HydrophobicContact CB-CG2 4.17Å; F2-V75 HydrophobicContact CG-CG2 4.46Å; F2-F77 HydrophobicContact CB-CZ 4.25Å; F2-F77 AromaticContact CD2-CE1 3.65Å; F2-F77 HydrophobicContact CD2-CE1 3.65Å; F2-F77 AromaticContact CD2-CZ 3.36Å; F2-F77 HydrophobicContact CD2-CZ 3.36Å; F2-F77 AromaticContact CE2-CE1 3.43Å; F2-F77 HydrophobicContact CE2-CE1 3.43Å; F2-F77 VanDerWaalsContact CE2-CE1 3.43Å; F2-F77 AromaticContact CE2-CZ 3.69Å; F2-F77 HydrophobicContact CE2-CZ 3.69Å; F2-F77 HydrophobicContact CG-CE1 4.39Å; F2-F77 AromaticContact CG-CZ 3.84Å; F2-F77 HydrophobicContact CG-CZ 3.84Å; F2-F77 HydrophobicContact CZ-CE1 4.1Å; F2-F77 HydrophobicContact CZ-CZ 4.49Å; F2-P97 HydrophobicContact CD2-CB 4.19Å; F2-P97 HydrophobicContact CD2-CG 4.39Å; F2-L207 HydrophobicContact CE2-CD2 4.26Å; F2-L207 HydrophobicContact CZ-CD2 4.1Å; F2-I222 HydrophobicContact CE1-CD1 3.53Å; F2-I222 HydrophobicContact CZ-CD1 4.25Å
3	W	75.3	Confident	85.2	Confident	149 Å²	149	77.5 Å²	77.5	56%	0.564	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-52.5	-44.8	-163.6	-175.1	-106.9	0	0	0	114.2	R5 L6 A157	W3-R5 PolarHBondContact O-N 3.38Å; W3-L6 HydrophobicContact CD2-CD1 4.48Å; W3-L6 HydrophobicContact CE3-CD1 3.61Å; W3-L6 HydrophobicContact CZ3-CD1 3.99Å; W3-L6 PolarHBondContact O-N 3.34Å; W3-A157 HydrophobicContact CD2-CB 3.59Å; W3-A157 HydrophobicContact CE3-CB 3.56Å; W3-A157 HydrophobicContact CG-CB 4.39Å; W3-A157 HydrophobicContact CH2-CB 3.61Å; W3-A157 HydrophobicContact CZ2-CB 3.6Å; W3-A157 HydrophobicContact CZ3-CB 3.59Å
4	N	80	Confident	85.8	Confident	118 Å²	118	72.7 Å²	72.7	63%	0.631	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-75.6	-1.5	-179.6	-61.4	-3.2	0	0	0	114	F2	F2-N4 VanDerWaalsContact C-N 3.32Å; F2-N4 PolarHBondContact O-N 3.17Å; F2-N4 VanDerWaalsContact O-N 3.14Å
5	R	86.7	Confident	86.4	Confident	26 Å²	26	69.3 Å²	69.3	10%	0.098	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-116	2.6	-179.7	-59.5	176.2	65.9	177.4	-2	112.2	F2 W3 T69 G73 T74 V75 H220	F2-R5 CarbonylContact O-C 3.58Å; F2-R5 WeakPolarHBondContact O-CA 3.26Å; F2-R5 WeakPolarHBondContact O-CB 3.39Å; F2-R5 PolarHBondContact O-N 3.15Å; W3-R5 PolarHBondContact O-N 3.38Å; R5-T69 PolarHBondContact NH2-OG1 3.28Å; R5-G73 PolarHBondContact NE-O 3.18Å; R5-T74 CarbonylContact O-C 3.57Å; R5-T74 WeakPolarHBondContact O-CA 3.39Å; R5-T74 WeakPolarHBondContact O-CB 3.42Å; R5-V75 HydrophobicContact CB-CG1 4.14Å; R5-V75 HydrophobicContact CB-CG2 4.13Å; R5-V75 WeakPolarHBondContact O-CG2 3.29Å; R5-V75 PolarHBondContact O-N 3.32Å; R5-H220 PolarHBondContact NH1-O 3.22Å
6	L	88.4	Confident	86.9	Confident	33 Å²	33	65 Å²	65	17%	0.173	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-77.4	134.8	-180	-56.4	-177.4	0	0	0	110.4	F2 W3 V75 F77 F96 P97	F2-L6 HydrophobicContact CB-CD2 3.8Å; F2-L6 WeakPolarHBondContact O-CG 3.23Å; F2-L6 PolarHBondContact O-N 3.45Å; W3-L6 HydrophobicContact CD2-CD1 4.48Å; W3-L6 HydrophobicContact CE3-CD1 3.61Å; W3-L6 HydrophobicContact CZ3-CD1 3.99Å; W3-L6 PolarHBondContact O-N 3.34Å; L6-V75 HydrophobicContact CD2-CG2 4Å; L6-F77 HydrophobicContact CD2-CE2 4.08Å; L6-F96 HydrophobicContact CD1-CD1 4.27Å; L6-P97 HydrophobicContact CD2-CG 4.4Å
7	R	89.2	Confident	87.4	Confident	80 Å²	80	61.2 Å²	61.2	30%	0.302	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-77.5	139.6	172.8	-170.4	-178.8	-70	179.6	-3.5	109.7	T9 D70 T74 Y95	R7-T9 PolarHBondContact O-N 3.19Å; R7-D70 IonicContact CZ-OD2 2.68Å; R7-D70 IonicContact NE-OD2 3.89Å; R7-D70 IonicContact NH2-OD2 3.89Å; R7-D70 PolarHBondContact NH2-OD2 3.23Å; R7-T74 PolarHBondContact NE-OG1 3.16Å; R7-Y95 HydrophobicContact CB-CD1 4.25Å; R7-Y95 HydrophobicContact CB-CD2 4.04Å; R7-Y95 HydrophobicContact CB-CG 3.82Å; R7-Y95 HydrophobicContact CG-CD2 4.16Å; R7-Y95 HydrophobicContact CG-CE2 4.43Å; R7-Y95 HydrophobicContact CG-CG 4.4Å; R7-Y95 VanDerWaalsContact NH1-CE1 3.33Å; R7-Y95 PolarHBondContact NH1-OH 3.21Å
8	K	86.4	Confident	87.8	Confident	208 Å²	208	57.8 Å²	57.8	90%	0.904	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-73.2	125.8	173.7	-67	-177	-179.6	178.7	0	109.7
9	T	89.6	Confident	88.2	Confident	34 Å²	34	54.7 Å²	54.7	21%	0.209	25%	0.254	C	S	.	.			trans	-153.9	156	175.5	-178.5	0	0	0	0	109.1	R7 K11 E14 Y95 F96	R7-T9 PolarHBondContact O-N 3.19Å; T9-K11 WeakPolarHBondContact CG2-O 3.31Å; T9-K11 PolarHBondContact OG1-N 3.44Å; T9-K11 VanDerWaalsContact OG1-N 3.13Å; T9-E14 VanDerWaalsContact CB-OE1 3.27Å; T9-E14 WeakPolarHBondContact CB-OE1 3.32Å; T9-E14 VanDerWaalsContact CG2-OE1 3.25Å; T9-E14 WeakPolarHBondContact CG2-OE1 3.48Å; T9-E14 PolarHBondContact OG1-OE1 3.23Å; T9-Y95 HydrophobicContact CG2-CD2 3.73Å; T9-Y95 HydrophobicContact CG2-CG 4.45Å; T9-F96 HydrophobicContact CG2-CD2 4.1Å; T9-F96 HydrophobicContact CG2-CE2 3.34Å; T9-F96 HydrophobicContact CG2-CZ 3.72Å
10	N	87.5	Confident	88.4	Confident	172 Å²	172	55.5 Å²	55.5	92%	0.92	26%	0.257	S	S	*	.	S	Bend	trans	-95.1	-8.4	171.2	-66.7	-20.2	0	0	0	112.2
11	K	91.1	Very high	88.4	Confident	102 Å²	102	54.5 Å²	54.5	44%	0.443	25%	0.253	S	S	.	.			trans	-88.4	141.2	-179.8	-61	178.2	-179	175.9	0	110.1	T9 E14	T9-K11 WeakPolarHBondContact CG2-O 3.31Å; T9-K11 PolarHBondContact OG1-N 3.44Å; T9-K11 VanDerWaalsContact OG1-N 3.13Å; K11-E14 WeakPolarHBondContact CD-OE2 3.45Å
12	L	93.1	Very high	89.3	Confident	16 Å²	16	54 Å²	54	8%	0.084	25%	0.252	C	S	.	.	S	Bend	trans	-80	-36.9	171.7	-69.6	175.1	0	0	0	111.5	S94 Y98 L101 L130 Y132 A137 L154	L12-S94 WeakPolarHBondContact O-CB 3.33Å; L12-S94 PolarHBondContact O-OG 2.68Å; L12-Y98 HydrophobicContact CD2-CD2 4.12Å; L12-Y98 HydrophobicContact CD2-CE2 3.84Å; L12-L101 HydrophobicContact CB-CD2 4Å; L12-L101 HydrophobicContact CD1-CD2 4.25Å; L12-L101 HydrophobicContact CG-CD2 4.5Å; L12-L130 HydrophobicContact CB-CD2 3.97Å; L12-L130 HydrophobicContact CD1-CD1 4.38Å; L12-L130 HydrophobicContact CD1-CD2 4.23Å; L12-L130 HydrophobicContact CD1-CG 3.99Å; L12-Y132 HydrophobicContact CD2-CD2 4.34Å; L12-A137 HydrophobicContact CD1-CB 3.67Å; L12-L154 HydrophobicContact CD2-CD1 3.65Å
13	I	95.4	Very high	89.2	Confident	12 Å²	12	59 Å²	59	6%	0.062	29%	0.288	C	S	.	.			trans	-124.2	129.4	178	-55.7	-59.8	0	0	0	107.3	V16 V92 S93 L101 L102 L127 L130	I13-V16 HydrophobicContact CG2-CG2 4.31Å; I13-V92 HydrophobicContact CD1-CG1 3.76Å; I13-V92 HydrophobicContact CG1-CG1 4.41Å; I13-V92 HydrophobicContact CG2-CG1 3.69Å; I13-S93 WeakPolarHBondContact CA-O 3.39Å; I13-L101 HydrophobicContact CD1-CD2 4.4Å; I13-L102 HydrophobicContact CD1-CD2 3.62Å; I13-L127 HydrophobicContact CB-CD2 3.82Å; I13-L127 HydrophobicContact CG1-CD2 4.25Å; I13-L127 HydrophobicContact CG2-CD2 3.64Å; I13-L130 HydrophobicContact CG1-CD2 3.6Å
14	E	94	Very high	89.4	Confident	10 Å²	10	57.5 Å²	57.5	5%	0.047	30%	0.295	C	S	.	.			trans	-88	-53.8	-178.5	-65.5	-62.3	154.6	0	0	110.5	T9 K11 P35 S93 Y95	T9-E14 VanDerWaalsContact CB-OE1 3.27Å; T9-E14 WeakPolarHBondContact CB-OE1 3.32Å; T9-E14 VanDerWaalsContact CG2-OE1 3.25Å; T9-E14 WeakPolarHBondContact CG2-OE1 3.48Å; T9-E14 PolarHBondContact OG1-OE1 3.23Å; K11-E14 WeakPolarHBondContact CD-OE2 3.45Å; E14-P35 VanDerWaalsContact O-CD 3.26Å; E14-P35 WeakPolarHBondContact O-CD 3.43Å; E14-S93 WeakPolarHBondContact CB-OG 3.37Å; E14-S93 PolarHBondContact N-O 3.29Å; E14-Y95 VanDerWaalsContact CD-CD2 3.49Å; E14-Y95 HydrophobicContact CG-CD1 4.36Å; E14-Y95 HydrophobicContact CG-CD2 3.64Å; E14-Y95 HydrophobicContact CG-CE1 4.26Å; E14-Y95 HydrophobicContact CG-CE2 3.51Å; E14-Y95 HydrophobicContact CG-CG 4.05Å; E14-Y95 VanDerWaalsContact OE1-CD2 3.23Å; E14-Y95 WeakPolarHBondContact OE1-CD2 3.49Å; E14-Y95 WeakPolarHBondContact OE1-CE2 3.42Å
15	H	94.2	Very high	89.3	Confident	22 Å²	22	55.5 Å²	55.5	10%	0.102	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	149.6	179.6	-56.2	94.1	0	0	0	112.5	V17 C34 F44 S93	H15-V17 HydrophobicContact CB-CG2 4.29Å; H15-C34 CarbonylContact C-O 3.46Å; H15-C34 VanDerWaalsContact CA-O 3.25Å; H15-C34 WeakPolarHBondContact CA-O 3.43Å; H15-F44 HydrophobicContact CB-CE1 4.44Å; H15-F44 HydrophobicContact CB-CZ 4.32Å; H15-F44 AromaticContact CG-CZ 3.89Å; H15-S93 PolarHBondContact N-OG 2.94Å; H15-S93 PolarHBondContact O-N 3.15Å
16	V	95.7	Very high	89	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122.2	160.1	179.4	0	0	0	0	107.3	I13 V33 C34 V90 C91 V92 I109 I123 L127	I13-V16 HydrophobicContact CG2-CG2 4.31Å; V16-V33 CarbonylContact O-C 3.56Å; V16-V33 WeakPolarHBondContact O-CA 3.3Å; V16-C34 PolarHBondContact N-O 3.14Å; V16-C34 PolarHBondContact O-N 2.74Å; V16-V90 HydrophobicContact CG1-CG1 4.33Å; V16-C91 CarbonylContact C-O 3.58Å; V16-C91 WeakPolarHBondContact CA-O 3.49Å; V16-V92 HydrophobicContact CG2-CG1 4.44Å; V16-V92 HydrophobicContact CG2-CG2 4.3Å; V16-I109 HydrophobicContact CG1-CD1 3.99Å; V16-I109 HydrophobicContact CG2-CD1 4.46Å; V16-I123 HydrophobicContact CB-CG2 3.84Å; V16-I123 HydrophobicContact CG1-CD1 4.27Å; V16-I123 HydrophobicContact CG1-CG2 3.96Å; V16-I123 HydrophobicContact CG2-CG2 3.87Å; V16-L127 HydrophobicContact CG2-CD1 4.14Å; V16-L127 HydrophobicContact CG2-CD2 4.17Å
17	V	95.1	Very high	88.8	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.4	-178.7	-174.4	0	0	0	0	108.6	H15 F19 V30 Y32 V33 F44 C91	H15-V17 HydrophobicContact CB-CG2 4.29Å; V17-F19 HydrophobicContact CB-CE2 4.13Å; V17-F19 HydrophobicContact CG1-CD2 3.99Å; V17-F19 HydrophobicContact CG1-CE2 3.4Å; V17-F19 VanDerWaalsContact CG1-CE2 3.4Å; V17-F19 HydrophobicContact CG1-CZ 3.76Å; V17-V30 HydrophobicContact CG1-CG1 4.16Å; V17-Y32 CarbonylContact C-O 3.58Å; V17-Y32 WeakPolarHBondContact CA-O 3.42Å; V17-V33 HydrophobicContact CG1-CG2 4.24Å; V17-V33 HydrophobicContact CG2-CG1 4.36Å; V17-V33 HydrophobicContact CG2-CG2 4.49Å; V17-F44 HydrophobicContact CG2-CD1 3.69Å; V17-F44 HydrophobicContact CG2-CE1 3.6Å; V17-F44 HydrophobicContact CG2-CG 4.48Å; V17-F44 HydrophobicContact CG2-CZ 4.33Å; V17-C91 HydrophobicContact CB-CB 4.31Å; V17-C91 PolarHBondContact N-O 3.49Å; V17-C91 PolarHBondContact O-N 3.27Å
18	I	95.1	Very high	88.9	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.7	174.2	-56.1	165.6	0	0	0	108.1	E31 Y32 Y88 I89 V90 R120 I123	I18-E31 PolarHBondContact O-N 2.99Å; I18-Y32 HydrophobicContact CD1-CD1 3.69Å; I18-Y32 HydrophobicContact CD1-CE1 4.45Å; I18-Y32 HydrophobicContact CD1-CG 4.27Å; I18-Y32 HydrophobicContact CG1-CD1 4.2Å; I18-Y32 PolarHBondContact N-O 3.5Å; I18-Y32 PolarHBondContact O-N 3.34Å; I18-Y88 HydrophobicContact CG2-CD1 3.73Å; I18-Y88 HydrophobicContact CG2-CE1 4.44Å; I18-Y88 HydrophobicContact CG2-CG 4.48Å; I18-I89 WeakPolarHBondContact CA-O 3.46Å; I18-V90 HydrophobicContact CG1-CG2 4.39Å; I18-R120 HydrophobicContact CD1-CG 4.09Å; I18-I123 HydrophobicContact CD1-CD1 3.83Å
19	F	93.8	Very high	89	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	139.5	170.4	-59.4	-102.3	0	0	0	109.7	V17 P28 V29 V30 L47 R48 V51 Y88 I89	V17-F19 HydrophobicContact CB-CE2 4.13Å; V17-F19 HydrophobicContact CG1-CD2 3.99Å; V17-F19 HydrophobicContact CG1-CE2 3.4Å; V17-F19 VanDerWaalsContact CG1-CE2 3.4Å; V17-F19 HydrophobicContact CG1-CZ 3.76Å; F19-P28 HydrophobicContact CB-CB 4.05Å; F19-P28 HydrophobicContact CD1-CB 3.88Å; F19-P28 HydrophobicContact CG-CB 4.22Å; F19-V29 CarbonylContact C-O 3.44Å; F19-V29 WeakPolarHBondContact CA-O 3.4Å; F19-V30 HydrophobicContact CD1-CB 4.49Å; F19-V30 HydrophobicContact CD1-CG2 3.79Å; F19-V30 HydrophobicContact CE1-CB 4.41Å; F19-V30 HydrophobicContact CE1-CG2 3.31Å; F19-V30 HydrophobicContact CZ-CG2 3.93Å; F19-L47 HydrophobicContact CE2-CD2 4.07Å; F19-L47 HydrophobicContact CE2-CG 4.4Å; F19-L47 HydrophobicContact CZ-CB 4.32Å; F19-L47 HydrophobicContact CZ-CD2 3.87Å; F19-L47 HydrophobicContact CZ-CG 3.93Å; F19-R48 HydrophobicContact CE1-CB 4.11Å; F19-V51 HydrophobicContact CD1-CG2 4.49Å; F19-V51 HydrophobicContact CD2-CG1 4.46Å; F19-V51 HydrophobicContact CE1-CG2 4.41Å; F19-V51 HydrophobicContact CE2-CG1 3.93Å; F19-V51 HydrophobicContact CZ-CG1 4.2Å; F19-V51 HydrophobicContact CZ-CG2 4.43Å; F19-Y88 CarbonylContact O-C 3.51Å; F19-Y88 VanDerWaalsContact O-CA 3.31Å; F19-Y88 WeakPolarHBondContact O-CA 3.12Å; F19-I89 HydrophobicContact CB-CB 4.19Å; F19-I89 PolarHBondContact N-O 3.3Å; F19-I89 PolarHBondContact O-N 3.48Å
20	H	92.5	Very high	89.1	Confident	70 Å²	70	45.8 Å²	45.8	32%	0.324	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	137.4	164	-179.3	-88.7	0	0	0	109.3	D22 V29 E31 Y88	H20-D22 PolarHBondContact O-N 3.01Å; H20-V29 PolarHBondContact N-O 3.16Å; H20-V29 PolarHBondContact O-N 3.35Å; H20-E31 HydrophobicContact CB-CB 4.4Å; H20-E31 WeakPolarHBondContact CB-OE2 3.47Å; H20-Y88 HydrophobicContact CB-CE1 4.38Å; H20-Y88 AromaticContact CD2-CE1 3.91Å
21	L	89	Confident	89.2	Confident	34 Å²	34	40.7 Å²	40.7	18%	0.178	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	109.2	173.3	-63.6	177	0	0	0	108.6	S23 P28 L52 G87 I89	L21-S23 PolarHBondContact O-N 3.25Å; L21-P28 HydrophobicContact CD2-CB 4.13Å; L21-L52 HydrophobicContact CD2-CD2 4.09Å; L21-G87 WeakPolarHBondContact CB-O 3.37Å; L21-G87 WeakPolarHBondContact CG-O 3.49Å; L21-G87 PolarHBondContact N-O 3.29Å; L21-I89 HydrophobicContact CD2-CD1 3.89Å; L21-I89 HydrophobicContact CD2-CG1 4.27Å
22	D	84.3	Confident	89.3	Confident	43 Å²	43	38.2 Å²	38.2	23%	0.23	22%	0.215	C	C	.	.			trans	-55.7	127.1	176	175.1	-2	0	0	0	110	H20 T24 N25 G26 D27 V29	H20-D22 PolarHBondContact O-N 3.01Å; D22-T24 VanDerWaalsContact CG-OG1 3.24Å; D22-T24 PolarHBondContact O-N 2.71Å; D22-T24 PolarHBondContact OD1-N 3.28Å; D22-T24 PolarHBondContact OD1-OG1 3.35Å; D22-T24 PolarHBondContact OD2-OG1 3.29Å; D22-N25 VanDerWaalsContact CB-OD1 3.24Å; D22-N25 WeakPolarHBondContact CB-OD1 3.49Å; D22-N25 VanDerWaalsContact CG-OD1 3.27Å; D22-N25 VanDerWaalsContact OD2-CG 3.31Å; D22-N25 PolarHBondContact OD2-ND2 3.22Å; D22-N25 PolarHBondContact OD2-OD1 3.45Å; D22-N25 VanDerWaalsContact OD2-OD1 3.14Å; D22-G26 WeakPolarHBondContact O-CA 3.37Å; D22-G26 PolarHBondContact O-N 2.88Å; D22-D27 PolarHBondContact N-O 3.22Å; D22-V29 HydrophobicContact CB-CG2 4.36Å
23	S	77.5	Confident	89.3	Confident	110 Å²	110	38.4 Å²	38.4	77%	0.769	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.2	-175.8	53.7	0	0	0	0	112.5	L21	L21-S23 PolarHBondContact O-N 3.25Å
24	T	78.3	Confident	89.2	Confident	117 Å²	117	38.1 Å²	38.1	72%	0.718	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-48.2	-173.7	63.6	0	0	0	0	113	D22	D22-T24 VanDerWaalsContact CG-OG1 3.24Å; D22-T24 PolarHBondContact O-N 2.71Å; D22-T24 PolarHBondContact OD1-N 3.28Å; D22-T24 PolarHBondContact OD1-OG1 3.35Å; D22-T24 PolarHBondContact OD2-OG1 3.29Å
25	N	79.2	Confident	89	Confident	77 Å²	77	40.3 Å²	40.3	41%	0.412	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-11.3	-173.5	56.8	27.1	0	0	0	113.2	D22 D27	D22-N25 VanDerWaalsContact CB-OD1 3.24Å; D22-N25 WeakPolarHBondContact CB-OD1 3.49Å; D22-N25 VanDerWaalsContact CG-OD1 3.27Å; D22-N25 VanDerWaalsContact OD2-CG 3.31Å; D22-N25 PolarHBondContact OD2-ND2 3.22Å; D22-N25 PolarHBondContact OD2-OD1 3.45Å; D22-N25 VanDerWaalsContact OD2-OD1 3.14Å; N25-D27 PolarHBondContact O-N 2.89Å; N25-D27 VanDerWaalsContact OD1-CB 3.27Å; N25-D27 WeakPolarHBondContact OD1-CB 3.47Å; N25-D27 PolarHBondContact OD1-N 3.43Å
26	G	79.4	Confident	88.4	Confident	10 Å²	10	44.2 Å²	44.2	10%	0.103	26%	0.26	C	S	.	.			trans	71.4	14.7	-174	0	0	0	0	0	114.3	D22	D22-G26 WeakPolarHBondContact O-CA 3.37Å; D22-G26 PolarHBondContact O-N 2.88Å
27	D	85	Confident	87.4	Confident	45 Å²	45	45.8 Å²	45.8	24%	0.241	27%	0.27	C	S	.	.			trans	-79	136.5	-179.1	-82.1	-37.3	0	0	0	111.4	D22 N25 V29 R55	D22-D27 PolarHBondContact N-O 3.22Å; N25-D27 PolarHBondContact O-N 2.89Å; N25-D27 VanDerWaalsContact OD1-CB 3.27Å; N25-D27 WeakPolarHBondContact OD1-CB 3.47Å; N25-D27 PolarHBondContact OD1-N 3.43Å; D27-V29 PolarHBondContact O-N 3.41Å; D27-R55 IonicContact OD1-CZ 3.23Å; D27-R55 IonicContact OD1-NE 3.19Å; D27-R55 PolarHBondContact OD1-NE 3.05Å; D27-R55 IonicContact OD1-NH2 2.85Å; D27-R55 PolarHBondContact OD1-NH2 2.64Å; D27-R55 IonicContact OD2-CZ 2.89Å; D27-R55 IonicContact OD2-NE 3.89Å; D27-R55 IonicContact OD2-NH2 2.69Å; D27-R55 PolarHBondContact OD2-NH2 3.29Å
28	P	89.9	Confident	85.8	Confident	9 Å²	9	52.9 Å²	52.9	6%	0.058	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	119.2	174.6	29.1	-32.3	0	0	0	110.3	F19 L21 R48 V51 L52 I89	F19-P28 HydrophobicContact CB-CB 4.05Å; F19-P28 HydrophobicContact CD1-CB 3.88Å; F19-P28 HydrophobicContact CG-CB 4.22Å; L21-P28 HydrophobicContact CD2-CB 4.13Å; P28-R48 HydrophobicContact CG-CB 4.25Å; P28-R48 VanDerWaalsContact CG-O 3.29Å; P28-R48 WeakPolarHBondContact CG-O 3.48Å; P28-V51 HydrophobicContact CB-CG2 3.9Å; P28-V51 HydrophobicContact CG-CG2 3.81Å; P28-L52 HydrophobicContact CG-CB 4.45Å; P28-I89 HydrophobicContact CB-CD1 4.47Å
29	V	89.9	Confident	83.8	Confident	77 Å²	77	60.1 Å²	60.1	47%	0.467	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	128.7	174.8	-178	0	0	0	0	108.8	F19 H20 D22 D27 E31	F19-V29 CarbonylContact C-O 3.44Å; F19-V29 WeakPolarHBondContact CA-O 3.4Å; H20-V29 PolarHBondContact N-O 3.16Å; H20-V29 PolarHBondContact O-N 3.35Å; D22-V29 HydrophobicContact CB-CG2 4.36Å; D27-V29 PolarHBondContact O-N 3.41Å; V29-E31 PolarHBondContact O-N 2.91Å
30	V	90.8	Very high	82	Confident	36 Å²	36	65.6 Å²	65.6	22%	0.218	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	118.8	174.8	-179.7	0	0	0	0	108.3	V17 F19 V33 F44	V17-V30 HydrophobicContact CG1-CG1 4.16Å; F19-V30 HydrophobicContact CD1-CB 4.49Å; F19-V30 HydrophobicContact CD1-CG2 3.79Å; F19-V30 HydrophobicContact CE1-CB 4.41Å; F19-V30 HydrophobicContact CE1-CG2 3.31Å; F19-V30 HydrophobicContact CZ-CG2 3.93Å; V30-V33 HydrophobicContact CG1-CG2 3.56Å; V30-F44 HydrophobicContact CG2-CB 4.05Å
31	E	91	Very high	80.4	Confident	64 Å²	64	66 Å²	66	30%	0.299	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-32.2	-178.7	-162.8	-166	149.8	0	0	111.8	I18 H20 V29 Y88 R120	I18-E31 PolarHBondContact O-N 2.99Å; H20-E31 HydrophobicContact CB-CB 4.4Å; H20-E31 WeakPolarHBondContact CB-OE2 3.47Å; V29-E31 PolarHBondContact O-N 2.91Å; E31-Y88 VanDerWaalsContact OE2-CE1 3.3Å; E31-Y88 WeakPolarHBondContact OE2-CE1 3.49Å; E31-R120 VanDerWaalsContact CD-NH1 3.3Å; E31-R120 IonicContact OE1-CZ 2.71Å; E31-R120 IonicContact OE1-NH1 3.93Å; E31-R120 PolarHBondContact OE1-NH1 2.88Å; E31-R120 IonicContact OE1-NH2 2.72Å; E31-R120 PolarHBondContact OE1-NH2 3.15Å; E31-R120 IonicContact OE2-CZ 3.04Å; E31-R120 IonicContact OE2-NH1 3.15Å; E31-R120 IonicContact OE2-NH2 3.96Å; E31-R120 PolarHBondContact OE2-NH2 2.96Å
32	Y	92.4	Very high	79.2	Confident	50 Å²	50	69.2 Å²	69.2	20%	0.196	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	140.8	-179.7	178.7	-97.8	0	0	0	111.7	V17 I18 C34 R120 I123	V17-Y32 CarbonylContact C-O 3.58Å; V17-Y32 WeakPolarHBondContact CA-O 3.42Å; I18-Y32 HydrophobicContact CD1-CD1 3.69Å; I18-Y32 HydrophobicContact CD1-CE1 4.45Å; I18-Y32 HydrophobicContact CD1-CG 4.27Å; I18-Y32 HydrophobicContact CG1-CD1 4.2Å; I18-Y32 PolarHBondContact N-O 3.5Å; I18-Y32 PolarHBondContact O-N 3.34Å; Y32-C34 HydrophobicContact CD1-CB 4.46Å; Y32-C34 HydrophobicContact CE1-CB 3.49Å; Y32-C34 VanDerWaalsContact CE1-CB 3.49Å; Y32-C34 WeakPolarHBondContact OH-CB 2.97Å; Y32-R120 HydrophobicContact CD2-CB 4.42Å; Y32-R120 HydrophobicContact CE1-CB 4.45Å; Y32-R120 HydrophobicContact CE2-CB 4.12Å; Y32-R120 HydrophobicContact CG-CG 4.43Å; Y32-R120 PolarHBondContact OH-O 3.42Å; Y32-I123 HydrophobicContact CD1-CD1 4.48Å; Y32-I123 HydrophobicContact CE1-CD1 3.96Å
33	V	93.1	Very high	78.8	Confident	21 Å²	21	70.5 Å²	70.5	13%	0.127	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	128.7	174.8	-175.7	0	0	0	0	108.4	V16 V17 V30 V37 F44	V16-V33 CarbonylContact O-C 3.56Å; V16-V33 WeakPolarHBondContact O-CA 3.3Å; V17-V33 HydrophobicContact CG1-CG2 4.24Å; V17-V33 HydrophobicContact CG2-CG1 4.36Å; V17-V33 HydrophobicContact CG2-CG2 4.49Å; V30-V33 HydrophobicContact CG1-CG2 3.56Å; V33-V37 HydrophobicContact CG1-CG2 4.2Å; V33-F44 HydrophobicContact CG1-CD2 4.41Å; V33-F44 HydrophobicContact CG1-CE2 3.83Å; V33-F44 HydrophobicContact CG1-CZ 4.01Å; V33-F44 HydrophobicContact CG2-CD2 4.28Å; V33-F44 HydrophobicContact CG2-CE2 4.5Å
34	C	92.4	Very high	78.9	Confident	5 Å²	5	65.3 Å²	65.3	3%	0.034	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	128.6	175.5	-174.4	0	0	0	0	110.6	H15 V16 Y32 I123 L127	H15-C34 CarbonylContact C-O 3.46Å; H15-C34 VanDerWaalsContact CA-O 3.25Å; H15-C34 WeakPolarHBondContact CA-O 3.43Å; V16-C34 PolarHBondContact N-O 3.14Å; V16-C34 PolarHBondContact O-N 2.74Å; Y32-C34 HydrophobicContact CD1-CB 4.46Å; Y32-C34 HydrophobicContact CE1-CB 3.49Å; Y32-C34 VanDerWaalsContact CE1-CB 3.49Å; Y32-C34 WeakPolarHBondContact OH-CB 2.97Å; C34-I123 HydrophobicContact CB-CG2 4.21Å; C34-L127 HydrophobicContact CB-CD1 4.45Å
35	P	90.3	Very high	78.7	Confident	57 Å²	57	64.1 Å²	64.1	37%	0.37	35%	0.352	S	S	.	.	S	Bend	cis	-61.8	154.9	-7.8	-20.8	34	0	0	0	112.2	E14 V37	E14-P35 VanDerWaalsContact O-CD 3.26Å; E14-P35 WeakPolarHBondContact O-CD 3.43Å; P35-V37 WeakPolarHBondContact O-CG2 3.48Å; P35-V37 PolarHBondContact O-N 3.28Å
36	S	82.6	Confident	78.6	Confident	103 Å²	103	66.3 Å²	66.3	72%	0.72	36%	0.358	S	S	*	.			trans	-64.9	133.7	177.9	52.8	0	0	0	0	110.7
37	V	75	Confident	78.9	Confident	34 Å²	34	66 Å²	66	21%	0.206	35%	0.354	C	S	.	.			trans	-114.8	118.7	-179	-163.3	0	0	0	0	109.2	V33 P35 N39 E40 F44	V33-V37 HydrophobicContact CG1-CG2 4.2Å; P35-V37 WeakPolarHBondContact O-CG2 3.48Å; P35-V37 PolarHBondContact O-N 3.28Å; V37-N39 PolarHBondContact O-N 3.33Å; V37-E40 HydrophobicContact CG1-CB 3.64Å; V37-E40 HydrophobicContact CG1-CG 3.71Å; V37-F44 HydrophobicContact CG2-CE2 4.16Å
38	N	60.8	Low	79	Confident	148 Å²	148	69.7 Å²	69.7	79%	0.791	36%	0.364	S	S	*	.	S	Bend	trans	-68.8	-26.9	-170.3	-72.9	-16.5	0	0	0	114.4
39	N	53.7	Low	78.9	Confident	152 Å²	152	71.8 Å²	71.8	81%	0.813	38%	0.375	S	S	*	.	S	Bend	trans	-144.3	-2.3	-169.9	-85.8	-24.1	0	0	0	116.1	V37	V37-N39 PolarHBondContact O-N 3.33Å
40	E	55.3	Low	78.9	Confident	115 Å²	115	69.9 Å²	69.9	54%	0.537	36%	0.361	S	S	.	.			trans	-95.9	18.2	-176	-55.9	-161.7	158.7	0	0	114.6	V37 T42 H43	V37-E40 HydrophobicContact CG1-CB 3.64Å; V37-E40 HydrophobicContact CG1-CG 3.71Å; E40-T42 PolarHBondContact O-N 3.5Å; E40-H43 PolarHBondContact O-N 3.4Å
41	N	58.4	Low	78.9	Confident	78 Å²	78	68.2 Å²	68.2	42%	0.417	35%	0.35	S	S	.	.	H	α-helix	trans	-55	-24.3	179.4	-74.7	-12.3	0	0	0	113	H43 F44 H45	N41-H43 PolarHBondContact O-N 3.43Å; N41-F44 PolarHBondContact O-N 2.99Å; N41-H45 VanDerWaalsContact C-CD2 3.44Å; N41-H45 WeakPolarHBondContact O-CB 3.34Å; N41-H45 PolarHBondContact O-CD2 2.94Å; N41-H45 VanDerWaalsContact O-CG 3.27Å; N41-H45 PolarHBondContact O-N 2.78Å
42	T	64.3	Low	78.7	Confident	102 Å²	102	66.1 Å²	66.1	63%	0.626	34%	0.341	S	S	*	.	H	α-helix	trans	-56.9	-34	174.1	50.4	0	0	0	0	113.3	E40 K46	E40-T42 PolarHBondContact O-N 3.5Å; T42-K46 PolarHBondContact O-N 3.41Å
43	H	75.1	Confident	78.3	Confident	70 Å²	70	64.1 Å²	64.1	32%	0.324	33%	0.334	S	S	.	.	H	α-helix	trans	-68.3	-49.3	176.7	-176.7	78.7	0	0	0	111.3	E40 N41 H45 K46 L47 E76 F78	E40-H43 PolarHBondContact O-N 3.4Å; N41-H43 PolarHBondContact O-N 3.43Å; H43-H45 VanDerWaalsContact C-N 3.32Å; H43-H45 PolarHBondContact O-N 3.1Å; H43-K46 WeakPolarHBondContact O-CB 3.41Å; H43-K46 PolarHBondContact O-N 3.04Å; H43-K46 VanDerWaalsContact O-N 3.07Å; H43-L47 PolarHBondContact O-N 3.12Å; H43-L47 VanDerWaalsContact O-N 3.15Å; H43-E76 IonicContact NE2-OE2 3.64Å; H43-F78 AromaticContact NE2-CZ 3.92Å
44	F	80.4	Confident	77.6	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.009	34%	0.339	C	S	.	.	H	α-helix	trans	-70.1	-27.6	179.3	-55.5	-61.6	0	0	0	113	H15 V17 V30 V33 V37 N41 K46 L47 R48	H15-F44 HydrophobicContact CB-CE1 4.44Å; H15-F44 HydrophobicContact CB-CZ 4.32Å; H15-F44 AromaticContact CG-CZ 3.89Å; V17-F44 HydrophobicContact CG2-CD1 3.69Å; V17-F44 HydrophobicContact CG2-CE1 3.6Å; V17-F44 HydrophobicContact CG2-CG 4.48Å; V17-F44 HydrophobicContact CG2-CZ 4.33Å; V30-F44 HydrophobicContact CG2-CB 4.05Å; V33-F44 HydrophobicContact CG1-CD2 4.41Å; V33-F44 HydrophobicContact CG1-CE2 3.83Å; V33-F44 HydrophobicContact CG1-CZ 4.01Å; V33-F44 HydrophobicContact CG2-CD2 4.28Å; V33-F44 HydrophobicContact CG2-CE2 4.5Å; V37-F44 HydrophobicContact CG2-CE2 4.16Å; N41-F44 PolarHBondContact O-N 2.99Å; F44-K46 VanDerWaalsContact C-N 3.27Å; F44-K46 PolarHBondContact O-N 2.99Å; F44-L47 HydrophobicContact CD1-CD2 4.22Å; F44-L47 WeakPolarHBondContact O-CB 3.39Å; F44-L47 PolarHBondContact O-N 3.14Å; F44-R48 PolarHBondContact O-N 3.42Å
45	H	74.2	Confident	76.9	Confident	91 Å²	91	71.2 Å²	71.2	42%	0.421	36%	0.363	S	S	.	.	H	α-helix	trans	-64.4	-30.6	169.8	-74.5	-52.4	0	0	0	112.6	N41 H43 R48	N41-H45 VanDerWaalsContact C-CD2 3.44Å; N41-H45 WeakPolarHBondContact O-CB 3.34Å; N41-H45 PolarHBondContact O-CD2 2.94Å; N41-H45 VanDerWaalsContact O-CG 3.27Å; N41-H45 PolarHBondContact O-N 2.78Å; H43-H45 VanDerWaalsContact C-N 3.32Å; H43-H45 PolarHBondContact O-N 3.1Å; H45-R48 WeakPolarHBondContact O-CD 3.49Å; H45-R48 WeakPolarHBondContact O-CG 3.42Å; H45-R48 PolarHBondContact O-NE 3.34Å
46	K	77.3	Confident	76.1	Confident	124 Å²	124	73.1 Å²	73.1	54%	0.539	37%	0.366	S	S	.	.	H	α-helix	trans	-74.4	-38.9	171.9	-68.6	177.6	-178.6	-178.5	0	110.9	T42 H43 F44 R48 N49 F50	T42-K46 PolarHBondContact O-N 3.41Å; H43-K46 WeakPolarHBondContact O-CB 3.41Å; H43-K46 PolarHBondContact O-N 3.04Å; H43-K46 VanDerWaalsContact O-N 3.07Å; F44-K46 VanDerWaalsContact C-N 3.27Å; F44-K46 PolarHBondContact O-N 2.99Å; K46-R48 PolarHBondContact O-N 3.4Å; K46-N49 PolarHBondContact O-N 3.44Å; K46-N49 VanDerWaalsContact O-N 3.12Å; K46-F50 WeakPolarHBondContact O-CD2 3.39Å
47	L	86	Confident	75.7	Confident	2 Å²	2	76.3 Å²	76.3	1%	0.01	37%	0.367	C	S	.	.	H	α-helix	trans	-54.7	-33.3	176.2	-178	61.8	0	0	0	112.5	F19 H43 F44 N49 F50 V51 L66 F68 F78	F19-L47 HydrophobicContact CE2-CD2 4.07Å; F19-L47 HydrophobicContact CE2-CG 4.4Å; F19-L47 HydrophobicContact CZ-CB 4.32Å; F19-L47 HydrophobicContact CZ-CD2 3.87Å; F19-L47 HydrophobicContact CZ-CG 3.93Å; H43-L47 PolarHBondContact O-N 3.12Å; H43-L47 VanDerWaalsContact O-N 3.15Å; F44-L47 HydrophobicContact CD1-CD2 4.22Å; F44-L47 WeakPolarHBondContact O-CB 3.39Å; F44-L47 PolarHBondContact O-N 3.14Å; L47-N49 PolarHBondContact O-N 3.38Å; L47-N49 VanDerWaalsContact O-N 3.09Å; L47-F50 PolarHBondContact O-N 2.94Å; L47-V51 HydrophobicContact CD1-CG1 4Å; L47-V51 HydrophobicContact CG-CG1 3.84Å; L47-V51 PolarHBondContact O-N 2.85Å; L47-L66 HydrophobicContact CD1-CD1 3.74Å; L47-F68 HydrophobicContact CD1-CE2 3.43Å; L47-F68 VanDerWaalsContact CD1-CE2 3.43Å; L47-F68 HydrophobicContact CD1-CZ 3.6Å; L47-F78 HydrophobicContact CD1-CD1 4.33Å; L47-F78 HydrophobicContact CD1-CE1 4.49Å; L47-F78 HydrophobicContact CD1-CG 4.4Å; L47-F78 HydrophobicContact CD2-CD1 3.77Å; L47-F78 HydrophobicContact CD2-CE1 3.57Å; L47-F78 HydrophobicContact CD2-CZ 4.26Å
48	R	86.6	Confident	75.8	Confident	123 Å²	123	76 Å²	76	46%	0.464	37%	0.367	S	S	.	.	H	α-helix	trans	-50.5	-36	176.7	93.5	-171.1	168.5	177.7	-6.6	113.5	F19 P28 F44 H45 K46 F50 V51	F19-R48 HydrophobicContact CE1-CB 4.11Å; P28-R48 HydrophobicContact CG-CB 4.25Å; P28-R48 VanDerWaalsContact CG-O 3.29Å; P28-R48 WeakPolarHBondContact CG-O 3.48Å; F44-R48 PolarHBondContact O-N 3.42Å; H45-R48 WeakPolarHBondContact O-CD 3.49Å; H45-R48 WeakPolarHBondContact O-CG 3.42Å; H45-R48 PolarHBondContact O-NE 3.34Å; K46-R48 PolarHBondContact O-N 3.4Å; R48-F50 VanDerWaalsContact C-N 3.3Å; R48-F50 PolarHBondContact O-N 3.16Å; R48-V51 WeakPolarHBondContact O-CG2 3.43Å
49	N	86.7	Confident	76.8	Confident	53 Å²	53	76.7 Å²	76.7	28%	0.283	37%	0.369	S	S	.	.	H	α-helix	trans	-72.5	-29.4	-177.8	-63	-24.8	0	0	0	110.9	K46 L47 P53 P227	K46-N49 PolarHBondContact O-N 3.44Å; K46-N49 VanDerWaalsContact O-N 3.12Å; L47-N49 PolarHBondContact O-N 3.38Å; L47-N49 VanDerWaalsContact O-N 3.09Å; N49-P53 WeakPolarHBondContact O-CA 3.47Å; N49-P227 HydrophobicContact CB-CB 4.38Å; N49-P227 HydrophobicContact CB-CG 4.33Å; N49-P227 WeakPolarHBondContact O-CB 3.09Å
50	F	89.9	Confident	78.5	Confident	38 Å²	38	75.4 Å²	75.4	17%	0.167	36%	0.361	C	S	.	.	H	α-helix	trans	-93.5	-28.8	-173.5	-66.3	-96.2	0	0	0	113.3	K46 L47 R48 L52 L66 F68 L225 P227	K46-F50 WeakPolarHBondContact O-CD2 3.39Å; L47-F50 PolarHBondContact O-N 2.94Å; R48-F50 VanDerWaalsContact C-N 3.3Å; R48-F50 PolarHBondContact O-N 3.16Å; F50-L52 PolarHBondContact O-N 2.84Å; F50-L66 HydrophobicContact CB-CD1 3.9Å; F50-L66 HydrophobicContact CB-CD2 4.42Å; F50-F68 HydrophobicContact CB-CE1 4.36Å; F50-F68 HydrophobicContact CB-CZ 3.75Å; F50-F68 AromaticContact CD1-CE1 3.91Å; F50-F68 HydrophobicContact CD1-CE1 3.91Å; F50-F68 HydrophobicContact CD1-CZ 4.08Å; F50-F68 AromaticContact CD2-CE1 3.69Å; F50-F68 HydrophobicContact CD2-CE1 3.69Å; F50-F68 AromaticContact CD2-CZ 3.86Å; F50-F68 HydrophobicContact CD2-CZ 3.86Å; F50-F68 HydrophobicContact CE1-CE1 4.09Å; F50-F68 AromaticContact CE2-CE1 3.88Å; F50-F68 HydrophobicContact CE2-CE1 3.88Å; F50-F68 AromaticContact CG-CE1 3.72Å; F50-F68 HydrophobicContact CG-CE1 3.72Å; F50-F68 AromaticContact CG-CZ 3.63Å; F50-F68 HydrophobicContact CG-CZ 3.63Å; F50-F68 HydrophobicContact CZ-CE1 4.08Å; F50-L225 VanDerWaalsContact CD1-O 3.32Å; F50-L225 WeakPolarHBondContact CD1-O 3.5Å; F50-P227 HydrophobicContact CD1-CG 4.1Å; F50-P227 VanDerWaalsContact CE1-CD 3.47Å; F50-P227 HydrophobicContact CE1-CG 3.93Å; F50-P227 HydrophobicContact CE2-CG 4.4Å; F50-P227 HydrophobicContact CG-CG 4.4Å; F50-P227 HydrophobicContact CZ-CG 4.09Å
51	V	90.4	Very high	80.2	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-65.2	-29.9	178.1	-65.2	0	0	0	0	111.8	F19 P28 L47 R48 Y64 L66 I89	F19-V51 HydrophobicContact CD1-CG2 4.49Å; F19-V51 HydrophobicContact CD2-CG1 4.46Å; F19-V51 HydrophobicContact CE1-CG2 4.41Å; F19-V51 HydrophobicContact CE2-CG1 3.93Å; F19-V51 HydrophobicContact CZ-CG1 4.2Å; F19-V51 HydrophobicContact CZ-CG2 4.43Å; P28-V51 HydrophobicContact CB-CG2 3.9Å; P28-V51 HydrophobicContact CG-CG2 3.81Å; L47-V51 HydrophobicContact CD1-CG1 4Å; L47-V51 HydrophobicContact CG-CG1 3.84Å; L47-V51 PolarHBondContact O-N 2.85Å; R48-V51 WeakPolarHBondContact O-CG2 3.43Å; V51-Y64 PolarHBondContact O-OH 3.06Å; V51-L66 HydrophobicContact CG1-CD1 4.03Å; V51-I89 HydrophobicContact CB-CD1 4.34Å; V51-I89 HydrophobicContact CB-CG2 4.38Å; V51-I89 HydrophobicContact CG2-CD1 4.23Å
52	L	88.4	Confident	81.8	Confident	21 Å²	21	69.8 Å²	69.8	11%	0.11	34%	0.339	C	S	.	.	S	Bend	trans	-138.1	76	175.8	-163.2	66.3	0	0	0	110.9	L21 P28 F50 C54 R55 I89	L21-L52 HydrophobicContact CD2-CD2 4.09Å; P28-L52 HydrophobicContact CG-CB 4.45Å; F50-L52 PolarHBondContact O-N 2.84Å; L52-C54 VanDerWaalsContact C-N 3.26Å; L52-C54 PolarHBondContact O-N 2.87Å; L52-R55 PolarHBondContact O-N 3.25Å; L52-I89 HydrophobicContact CB-CD1 4.31Å
53	P	82.7	Confident	83.3	Confident	8 Å²	8	66.1 Å²	66.1	5%	0.052	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.7	-160.2	21.8	-32.7	0	0	0	115.8	N49 L199 L225 P227 S228	N49-P53 WeakPolarHBondContact O-CA 3.47Å; P53-L199 HydrophobicContact CG-CD2 4.06Å; P53-L225 HydrophobicContact CG-CB 4.48Å; P53-P227 HydrophobicContact CB-CB 4.07Å; P53-P227 WeakPolarHBondContact O-CA 3.41Å; P53-S228 PolarHBondContact O-N 3.19Å; P53-S228 VanDerWaalsContact O-N 3.14Å
54	C	80	Confident	84.3	Confident	32 Å²	32	62.8 Å²	62.8	22%	0.216	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.5	24.2	174.3	74.8	0	0	0	0	114.9	L52 H56 H245 C247 L248	L52-C54 VanDerWaalsContact C-N 3.26Å; L52-C54 PolarHBondContact O-N 2.87Å; C54-H56 PolarHBondContact O-N 3.5Å; C54-H245 PolarHBondContact SG-ND1 3.29Å; C54-C247 HydrophobicContact CB-CB 4.3Å; C54-C247 WeakPolarHBondContact CB-SG 3.27Å; C54-C247 WeakPolarHBondContact SG-CB 3.27Å; C54-C247 CovalentContact SG-SG 2.05Å; C54-C247 PolarHBondContact SG-SG 3.32Å; C54-L248 HydrophobicContact CB-CD1 4.41Å; C54-L248 HydrophobicContact CB-CD2 4.09Å; C54-L248 HydrophobicContact CB-CG 4.13Å
55	R	77.6	Confident	85	Confident	143 Å²	143	63 Å²	63	54%	0.54	30%	0.301	S	S	.	.			trans	53	24.2	179.4	-58.1	178	177.5	164.3	-5.9	114	D27 L52 K57	D27-R55 IonicContact OD1-CZ 3.23Å; D27-R55 IonicContact OD1-NE 3.19Å; D27-R55 PolarHBondContact OD1-NE 3.05Å; D27-R55 IonicContact OD1-NH2 2.85Å; D27-R55 PolarHBondContact OD1-NH2 2.64Å; D27-R55 IonicContact OD2-CZ 2.89Å; D27-R55 IonicContact OD2-NE 3.89Å; D27-R55 IonicContact OD2-NH2 2.69Å; D27-R55 PolarHBondContact OD2-NH2 3.29Å; L52-R55 PolarHBondContact O-N 3.25Å; R55-K57 PolarHBondContact O-N 3.46Å
56	H	73.7	Confident	86	Confident	97 Å²	97	58.8 Å²	58.8	45%	0.449	28%	0.281	S	S	.	.			trans	-70.2	121.9	179.6	-175.1	63.7	0	0	0	109.2	C54 S58 H245	C54-H56 PolarHBondContact O-N 3.5Å; H56-S58 PolarHBondContact O-N 3.22Å; H56-S58 VanDerWaalsContact O-N 3.16Å; H56-H245 AromaticContact CD2-CE1 3.73Å; H56-H245 AromaticContact CD2-NE2 3.49Å; H56-H245 PolarHBondContact CD2-NE2 2.89Å; H56-H245 AromaticContact CG-CE1 3.68Å; H56-H245 AromaticContact CG-NE2 3.83Å
57	K	72.4	Confident	86.8	Confident	169 Å²	169	53.2 Å²	53.2	74%	0.735	26%	0.257	S	S	*	.			trans	-81.6	92.5	178.4	-64.9	-173.7	178.9	-174.5	0	109.2	R55	R55-K57 PolarHBondContact O-N 3.46Å
58	S	77.6	Confident	87	Confident	28 Å²	28	55.1 Å²	55.1	20%	0.196	27%	0.265	C	S	.	.			trans	-68.2	140.2	166.7	-179.6	0	0	0	0	109.6	H56 I60 P84	H56-S58 PolarHBondContact O-N 3.22Å; H56-S58 VanDerWaalsContact O-N 3.16Å; S58-I60 VanDerWaalsContact C-N 3.31Å; S58-I60 PolarHBondContact OG-N 3.22Å; S58-I60 VanDerWaalsContact OG-N 3.1Å; S58-I60 PolarHBondContact OG-O 3.09Å; S58-P84 WeakPolarHBondContact O-CB 3.2Å; S58-P84 WeakPolarHBondContact O-CG 2.86Å
59	L	82.9	Confident	87	Confident	162 Å²	162	51.4 Å²	51.4	85%	0.848	26%	0.257	S	S	*	.	S	Bend	trans	-86.4	-8	171.4	-65.3	172.6	0	0	0	112.4
60	I	87.9	Confident	86.9	Confident	126 Å²	126	51.1 Å²	51.1	65%	0.646	26%	0.255	S	S	*	.	S	Bend	trans	-119.5	139.4	-174	-55.3	172	0	0	0	108.2	S58 E62	S58-I60 VanDerWaalsContact C-N 3.31Å; S58-I60 PolarHBondContact OG-N 3.22Å; S58-I60 VanDerWaalsContact OG-N 3.1Å; S58-I60 PolarHBondContact OG-O 3.09Å; I60-E62 PolarHBondContact O-N 2.98Å
61	S	91.7	Very high	86.4	Confident	57 Å²	57	55.1 Å²	55.1	40%	0.399	29%	0.288	S	S	.	.			trans	-63.9	128	173.1	-55	0	0	0	0	110.6	T82	S61-T82 WeakPolarHBondContact CA-O 3.44Å; S61-T82 VanDerWaalsContact CB-O 3.25Å; S61-T82 WeakPolarHBondContact CB-O 3.13Å
62	E	92.7	Very high	86.1	Confident	17 Å²	17	60.9 Å²	60.9	8%	0.079	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	135	179.8	-63.9	-159.1	117.9	0	0	110.3	I60 I81 T82 R198 L199	I60-E62 PolarHBondContact O-N 2.98Å; E62-I81 WeakPolarHBondContact O-CA 3.22Å; E62-T82 PolarHBondContact N-O 3.23Å; E62-T82 PolarHBondContact O-N 3.18Å; E62-R198 WeakPolarHBondContact OE1-CA 3.21Å; E62-R198 WeakPolarHBondContact OE1-CB 3.4Å; E62-R198 WeakPolarHBondContact OE1-CG 3.33Å; E62-L199 PolarHBondContact OE2-N 3.19Å; E62-L199 VanDerWaalsContact OE2-N 3.12Å
63	E	94.7	Very high	85.9	Confident	25 Å²	25	61.2 Å²	61.2	12%	0.117	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	127.3	173.7	-174.3	-173.8	164	0	0	110	C80 H103 I106 R165 Q200	E63-C80 CarbonylContact C-O 3.55Å; E63-C80 WeakPolarHBondContact CA-O 3.32Å; E63-C80 WeakPolarHBondContact CG-O 3.42Å; E63-H103 IonicContact OE1-CE1 2.84Å; E63-H103 IonicContact OE1-CG 3.67Å; E63-H103 IonicContact OE1-ND1 3.87Å; E63-H103 PolarHBondContact OE1-ND1 3.4Å; E63-H103 IonicContact OE2-CE1 2.69Å; E63-H103 PolarHBondContact OE2-CE1 3.23Å; E63-H103 IonicContact OE2-ND1 2.72Å; E63-H103 PolarHBondContact OE2-ND1 2.99Å; E63-I106 HydrophobicContact CG-CD1 4.49Å; E63-R165 IonicContact OE2-CZ 3.01Å; E63-R165 IonicContact OE2-NH1 4Å; E63-R165 IonicContact OE2-NH2 3.81Å; E63-R165 PolarHBondContact OE2-NH2 3.16Å; E63-Q200 VanDerWaalsContact O-CA 3.3Å; E63-Q200 WeakPolarHBondContact O-CA 3.2Å; E63-Q200 WeakPolarHBondContact O-CB 3.27Å; E63-Q200 WeakPolarHBondContact O-CG 3.13Å
64	Y	95.8	Very high	86.3	Confident	1 Å²	1	62 Å²	62	0%	0.004	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	167.2	-176	55.7	-80.8	0	0	0	110.8	V51 L66 C80 T82 L199 T203 L225	V51-Y64 PolarHBondContact O-OH 3.06Å; Y64-L66 HydrophobicContact CD2-CD2 4.15Å; Y64-L66 HydrophobicContact CD2-CG 4.34Å; Y64-L66 HydrophobicContact CE2-CD1 4.48Å; Y64-L66 HydrophobicContact CE2-CD2 4.19Å; Y64-L66 HydrophobicContact CE2-CG 4.24Å; Y64-C80 HydrophobicContact CD1-CB 4.27Å; Y64-C80 HydrophobicContact CD2-CB 3.89Å; Y64-C80 HydrophobicContact CE1-CB 3.83Å; Y64-C80 HydrophobicContact CE2-CB 3.46Å; Y64-C80 VanDerWaalsContact CE2-CB 3.46Å; Y64-C80 HydrophobicContact CG-CB 4.27Å; Y64-C80 PolarHBondContact N-O 2.95Å; Y64-C80 PolarHBondContact O-N 3.36Å; Y64-T82 WeakPolarHBondContact CE1-OG1 3.48Å; Y64-T82 PolarHBondContact OH-OG1 3.13Å; Y64-L199 HydrophobicContact CD1-CB 3.92Å; Y64-L199 HydrophobicContact CD1-CD1 4.12Å; Y64-L199 HydrophobicContact CE1-CD1 3.97Å; Y64-L199 HydrophobicContact CE2-CD1 4.39Å; Y64-L199 HydrophobicContact CG-CB 3.92Å; Y64-L199 HydrophobicContact CG-CD1 4.45Å; Y64-T203 WeakPolarHBondContact CA-OG1 3.18Å; Y64-T203 WeakPolarHBondContact CB-OG1 3.01Å; Y64-L225 HydrophobicContact CD2-CD1 3.57Å; Y64-L225 HydrophobicContact CE2-CD1 4.04Å; Y64-L225 HydrophobicContact CG-CD1 4.3Å
65	T	95.9	Very high	86.8	Confident	6 Å²	6	60.5 Å²	60.5	4%	0.037	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.9	-175.9	-55.7	0	0	0	0	111.5	F78 F99 T203 L207 S224	T65-F78 CarbonylContact C-O 3.5Å; T65-F78 VanDerWaalsContact CA-O 3.3Å; T65-F78 WeakPolarHBondContact CA-O 3.31Å; T65-F99 HydrophobicContact CG2-CD1 4.38Å; T65-F99 HydrophobicContact CG2-CE1 3.77Å; T65-T203 PolarHBondContact N-OG1 2.88Å; T65-T203 VanDerWaalsContact O-CG2 3.23Å; T65-T203 WeakPolarHBondContact O-CG2 3.29Å; T65-L207 HydrophobicContact CG2-CD1 3.96Å; T65-S224 WeakPolarHBondContact O-CB 3.35Å; T65-S224 PolarHBondContact O-OG 2.83Å
66	L	95.4	Very high	87.5	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	139.9	169.8	-52.9	175.6	0	0	0	110.2	L47 F50 V51 Y64 F68 F77 F78 S224 L225	L47-L66 HydrophobicContact CD1-CD1 3.74Å; F50-L66 HydrophobicContact CB-CD1 3.9Å; F50-L66 HydrophobicContact CB-CD2 4.42Å; V51-L66 HydrophobicContact CG1-CD1 4.03Å; Y64-L66 HydrophobicContact CD2-CD2 4.15Å; Y64-L66 HydrophobicContact CD2-CG 4.34Å; Y64-L66 HydrophobicContact CE2-CD1 4.48Å; Y64-L66 HydrophobicContact CE2-CD2 4.19Å; Y64-L66 HydrophobicContact CE2-CG 4.24Å; L66-F68 HydrophobicContact CB-CD2 4.41Å; L66-F68 HydrophobicContact CB-CE2 3.72Å; L66-F68 HydrophobicContact CB-CZ 4.38Å; L66-F68 HydrophobicContact CD1-CE2 4.15Å; L66-F68 HydrophobicContact CD1-CZ 4.33Å; L66-F77 WeakPolarHBondContact O-CA 3.49Å; L66-F78 HydrophobicContact CB-CB 4.15Å; L66-F78 PolarHBondContact N-O 3.4Å; L66-F78 PolarHBondContact O-N 3.3Å; L66-S224 WeakPolarHBondContact CA-OG 3.41Å; L66-L225 HydrophobicContact CD2-CB 3.86Å; L66-L225 HydrophobicContact CD2-CD1 3.74Å; L66-L225 HydrophobicContact CD2-CG 4.1Å
67	I	93.9	Very high	88.5	Confident	8 Å²	8	49.8 Å²	49.8	4%	0.041	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	123.9	170.9	-54.3	172.5	0	0	0	107.4	F2 V75 E76 F77 L207 I222 S224	F2-I67 HydrophobicContact CZ-CD1 3.9Å; I67-V75 HydrophobicContact CG2-CB 4.23Å; I67-V75 HydrophobicContact CG2-CG1 4.22Å; I67-E76 WeakPolarHBondContact CA-O 3.42Å; I67-F77 HydrophobicContact CD1-CD1 4.5Å; I67-F77 HydrophobicContact CD1-CE1 4.21Å; I67-F77 HydrophobicContact CG1-CD1 3.95Å; I67-F77 HydrophobicContact CG1-CE1 4.08Å; I67-F77 HydrophobicContact CG2-CE1 4.32Å; I67-L207 HydrophobicContact CD1-CD2 3.48Å; I67-L207 VanDerWaalsContact CD1-CD2 3.48Å; I67-L207 HydrophobicContact CD1-CG 4.46Å; I67-I222 HydrophobicContact CD1-CG2 3.88Å; I67-S224 PolarHBondContact N-OG 3.16Å
68	F	90.3	Very high	89.6	Confident	41 Å²	41	41.8 Å²	41.8	18%	0.18	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	143.8	170.7	-67.1	-83	0	0	0	109.5	L47 F50 L66 V75 E76 F78	L47-F68 HydrophobicContact CD1-CE2 3.43Å; L47-F68 VanDerWaalsContact CD1-CE2 3.43Å; L47-F68 HydrophobicContact CD1-CZ 3.6Å; F50-F68 HydrophobicContact CB-CE1 4.36Å; F50-F68 HydrophobicContact CB-CZ 3.75Å; F50-F68 AromaticContact CD1-CE1 3.91Å; F50-F68 HydrophobicContact CD1-CE1 3.91Å; F50-F68 HydrophobicContact CD1-CZ 4.08Å; F50-F68 AromaticContact CD2-CE1 3.69Å; F50-F68 HydrophobicContact CD2-CE1 3.69Å; F50-F68 AromaticContact CD2-CZ 3.86Å; F50-F68 HydrophobicContact CD2-CZ 3.86Å; F50-F68 HydrophobicContact CE1-CE1 4.09Å; F50-F68 AromaticContact CE2-CE1 3.88Å; F50-F68 HydrophobicContact CE2-CE1 3.88Å; F50-F68 AromaticContact CG-CE1 3.72Å; F50-F68 HydrophobicContact CG-CE1 3.72Å; F50-F68 AromaticContact CG-CZ 3.63Å; F50-F68 HydrophobicContact CG-CZ 3.63Å; F50-F68 HydrophobicContact CZ-CE1 4.08Å; L66-F68 HydrophobicContact CB-CD2 4.41Å; L66-F68 HydrophobicContact CB-CE2 3.72Å; L66-F68 HydrophobicContact CB-CZ 4.38Å; L66-F68 HydrophobicContact CD1-CE2 4.15Å; L66-F68 HydrophobicContact CD1-CZ 4.33Å; F68-V75 CarbonylContact O-C 3.59Å; F68-V75 VanDerWaalsContact O-CA 3.23Å; F68-V75 WeakPolarHBondContact O-CA 3.48Å; F68-E76 PolarHBondContact N-O 3.01Å; F68-E76 PolarHBondContact O-N 3.23Å; F68-F78 AromaticContact CD2-CD2 3.57Å; F68-F78 HydrophobicContact CD2-CD2 3.57Å; F68-F78 AromaticContact CD2-CE2 3.58Å; F68-F78 HydrophobicContact CD2-CE2 3.58Å; F68-F78 AromaticContact CE2-CD2 3.8Å; F68-F78 HydrophobicContact CE2-CD2 3.8Å; F68-F78 HydrophobicContact CE2-CE2 4.02Å
69	T	87.2	Confident	90.6	Very high	46 Å²	46	40.6 Å²	40.6	28%	0.282	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.2	170.5	-54.1	0	0	0	0	107.7	R5 T74	R5-T69 PolarHBondContact NH2-OG1 3.28Å; T69-T74 CarbonylContact C-O 3.54Å; T69-T74 VanDerWaalsContact CA-O 3.3Å; T69-T74 WeakPolarHBondContact CA-O 3.44Å
70	D	83.2	Confident	91.2	Very high	47 Å²	47	32.9 Å²	32.9	25%	0.251	20%	0.199	S	C	.	.			trans	-80	-179.9	176	71.8	8.7	0	0	0	112.2	R7 V72 G73 T74	R7-D70 IonicContact CZ-OD2 2.68Å; R7-D70 IonicContact NE-OD2 3.89Å; R7-D70 IonicContact NH2-OD2 3.89Å; R7-D70 PolarHBondContact NH2-OD2 3.23Å; D70-V72 PolarHBondContact O-N 2.97Å; D70-V72 WeakPolarHBondContact OD1-CA 3.4Å; D70-V72 WeakPolarHBondContact OD1-CB 3.2Å; D70-V72 PolarHBondContact OD1-N 3.24Å; D70-G73 PolarHBondContact O-N 3.49Å; D70-G73 VanDerWaalsContact O-N 3.11Å; D70-G73 PolarHBondContact OD1-N 2.68Å; D70-T74 PolarHBondContact N-O 3.19Å; D70-T74 PolarHBondContact OD1-N 3.19Å; D70-T74 PolarHBondContact OD1-OG1 3.17Å; D70-T74 PolarHBondContact OD2-OG1 3.43Å
71	S	81	Confident	91.6	Very high	122 Å²	122	27.6 Å²	27.6	85%	0.853	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-15.8	178.1	52.3	0	0	0	0	114.3
72	V	84	Confident	91.7	Very high	120 Å²	120	25.3 Å²	25.3	73%	0.727	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-6.5	178	-171.1	0	0	0	0	110.9	D70 T74	D70-V72 PolarHBondContact O-N 2.97Å; D70-V72 WeakPolarHBondContact OD1-CA 3.4Å; D70-V72 WeakPolarHBondContact OD1-CB 3.2Å; D70-V72 PolarHBondContact OD1-N 3.24Å; V72-T74 HydrophobicContact CB-CG2 4.46Å; V72-T74 HydrophobicContact CG1-CG2 4.41Å
73	G	84.4	Confident	91.7	Very high	29 Å²	29	24.8 Å²	24.8	30%	0.299	15%	0.153	S	C	.	.	S	Bend	trans	87.1	5.3	-177.6	0	0	0	0	0	114	R5 D70	R5-G73 PolarHBondContact NE-O 3.18Å; D70-G73 PolarHBondContact O-N 3.49Å; D70-G73 VanDerWaalsContact O-N 3.11Å; D70-G73 PolarHBondContact OD1-N 2.68Å
74	T	89.3	Confident	91.4	Very high	25 Å²	25	25.4 Å²	25.4	15%	0.153	16%	0.16	C	C	.	.			trans	-80.9	149.9	176.3	79.8	0	0	0	0	111.3	R5 R7 T69 D70 V72	R5-T74 CarbonylContact O-C 3.57Å; R5-T74 WeakPolarHBondContact O-CA 3.39Å; R5-T74 WeakPolarHBondContact O-CB 3.42Å; R7-T74 PolarHBondContact NE-OG1 3.16Å; T69-T74 CarbonylContact C-O 3.54Å; T69-T74 VanDerWaalsContact CA-O 3.3Å; T69-T74 WeakPolarHBondContact CA-O 3.44Å; D70-T74 PolarHBondContact N-O 3.19Å; D70-T74 PolarHBondContact OD1-N 3.19Å; D70-T74 PolarHBondContact OD1-OG1 3.17Å; D70-T74 PolarHBondContact OD2-OG1 3.43Å; V72-T74 HydrophobicContact CB-CG2 4.46Å; V72-T74 HydrophobicContact CG1-CG2 4.41Å
75	V	90.9	Very high	91	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	142.8	-174	-64.8	0	0	0	0	112.8	F2 R5 L6 I67 F68 F77	F2-V75 HydrophobicContact CB-CG2 4.17Å; F2-V75 HydrophobicContact CG-CG2 4.46Å; R5-V75 HydrophobicContact CB-CG1 4.14Å; R5-V75 HydrophobicContact CB-CG2 4.13Å; R5-V75 WeakPolarHBondContact O-CG2 3.29Å; R5-V75 PolarHBondContact O-N 3.32Å; L6-V75 HydrophobicContact CD2-CG2 4Å; I67-V75 HydrophobicContact CG2-CB 4.23Å; I67-V75 HydrophobicContact CG2-CG1 4.22Å; F68-V75 CarbonylContact O-C 3.59Å; F68-V75 VanDerWaalsContact O-CA 3.23Å; F68-V75 WeakPolarHBondContact O-CA 3.48Å; V75-F77 HydrophobicContact CB-CE2 4.42Å; V75-F77 HydrophobicContact CB-CZ 4.24Å; V75-F77 HydrophobicContact CG2-CE2 3.67Å; V75-F77 HydrophobicContact CG2-CZ 3.56Å
76	E	92.8	Very high	90.8	Very high	15 Å²	15	34.9 Å²	34.9	7%	0.07	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.7	168.1	-174.1	174.9	-175.7	0	0	109.5	H43 I67 F68 F78 S93 Y95	H43-E76 IonicContact NE2-OE2 3.64Å; I67-E76 WeakPolarHBondContact CA-O 3.42Å; F68-E76 PolarHBondContact N-O 3.01Å; F68-E76 PolarHBondContact O-N 3.23Å; E76-F78 HydrophobicContact CB-CE2 4.26Å; E76-F78 VanDerWaalsContact CD-CZ 3.49Å; E76-F78 HydrophobicContact CG-CD2 4.18Å; E76-F78 HydrophobicContact CG-CE2 3.56Å; E76-F78 HydrophobicContact CG-CZ 4.14Å; E76-F78 VanDerWaalsContact OE1-CZ 3.26Å; E76-F78 WeakPolarHBondContact OE1-CZ 3.41Å; E76-S93 VanDerWaalsContact OE1-CB 3.32Å; E76-S93 WeakPolarHBondContact OE1-CB 3.46Å; E76-S93 PolarHBondContact OE1-OG 2.98Å; E76-Y95 HydrophobicContact CB-CD1 3.89Å; E76-Y95 HydrophobicContact CB-CE1 4.03Å; E76-Y95 HydrophobicContact CG-CD1 3.78Å; E76-Y95 HydrophobicContact CG-CE1 3.79Å
77	F	95	Very high	90.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	133.3	-179.9	-56.2	-84.8	0	0	0	109.2	F2 L6 L66 I67 V75 S93 S94 P97 F99 L102	F2-F77 HydrophobicContact CB-CZ 4.25Å; F2-F77 AromaticContact CD2-CE1 3.65Å; F2-F77 HydrophobicContact CD2-CE1 3.65Å; F2-F77 AromaticContact CD2-CZ 3.36Å; F2-F77 HydrophobicContact CD2-CZ 3.36Å; F2-F77 AromaticContact CE2-CE1 3.43Å; F2-F77 HydrophobicContact CE2-CE1 3.43Å; F2-F77 VanDerWaalsContact CE2-CE1 3.43Å; F2-F77 AromaticContact CE2-CZ 3.69Å; F2-F77 HydrophobicContact CE2-CZ 3.69Å; F2-F77 HydrophobicContact CG-CE1 4.39Å; F2-F77 AromaticContact CG-CZ 3.84Å; F2-F77 HydrophobicContact CG-CZ 3.84Å; F2-F77 HydrophobicContact CZ-CE1 4.1Å; F2-F77 HydrophobicContact CZ-CZ 4.49Å; L6-F77 HydrophobicContact CD2-CE2 4.08Å; L66-F77 WeakPolarHBondContact O-CA 3.49Å; I67-F77 HydrophobicContact CD1-CD1 4.5Å; I67-F77 HydrophobicContact CD1-CE1 4.21Å; I67-F77 HydrophobicContact CG1-CD1 3.95Å; I67-F77 HydrophobicContact CG1-CE1 4.08Å; I67-F77 HydrophobicContact CG2-CE1 4.32Å; V75-F77 HydrophobicContact CB-CE2 4.42Å; V75-F77 HydrophobicContact CB-CZ 4.24Å; V75-F77 HydrophobicContact CG2-CE2 3.67Å; V75-F77 HydrophobicContact CG2-CZ 3.56Å; F77-S93 CarbonylContact O-C 3.48Å; F77-S93 WeakPolarHBondContact O-CA 3.27Å; F77-S94 WeakPolarHBondContact CD2-O 3.37Å; F77-S94 PolarHBondContact N-O 3.36Å; F77-S94 PolarHBondContact O-N 3.11Å; F77-P97 HydrophobicContact CD1-CB 4.46Å; F77-P97 HydrophobicContact CD2-CB 4.26Å; F77-P97 HydrophobicContact CE1-CB 4.06Å; F77-P97 HydrophobicContact CE2-CB 3.85Å; F77-P97 HydrophobicContact CE2-CG 4.27Å; F77-P97 HydrophobicContact CZ-CB 3.75Å; F77-P97 HydrophobicContact CZ-CG 4.33Å; F77-F99 AromaticContact CD1-CE1 3.9Å; F77-F99 HydrophobicContact CD1-CE1 3.9Å; F77-F99 AromaticContact CD1-CZ 3.91Å; F77-F99 HydrophobicContact CD1-CZ 3.91Å; F77-F99 HydrophobicContact CE1-CZ 4.09Å; F77-F99 HydrophobicContact CG-CE1 4.4Å; F77-L102 HydrophobicContact CB-CD1 4.41Å
78	F	95.9	Very high	90.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	113.7	167.3	-64.7	-108.3	0	0	0	108.1	H43 L47 T65 L66 F68 E76 C91 V92	H43-F78 AromaticContact NE2-CZ 3.92Å; L47-F78 HydrophobicContact CD1-CD1 4.33Å; L47-F78 HydrophobicContact CD1-CE1 4.49Å; L47-F78 HydrophobicContact CD1-CG 4.4Å; L47-F78 HydrophobicContact CD2-CD1 3.77Å; L47-F78 HydrophobicContact CD2-CE1 3.57Å; L47-F78 HydrophobicContact CD2-CZ 4.26Å; T65-F78 CarbonylContact C-O 3.5Å; T65-F78 VanDerWaalsContact CA-O 3.3Å; T65-F78 WeakPolarHBondContact CA-O 3.31Å; L66-F78 HydrophobicContact CB-CB 4.15Å; L66-F78 PolarHBondContact N-O 3.4Å; L66-F78 PolarHBondContact O-N 3.3Å; F68-F78 AromaticContact CD2-CD2 3.57Å; F68-F78 HydrophobicContact CD2-CD2 3.57Å; F68-F78 AromaticContact CD2-CE2 3.58Å; F68-F78 HydrophobicContact CD2-CE2 3.58Å; F68-F78 AromaticContact CE2-CD2 3.8Å; F68-F78 HydrophobicContact CE2-CD2 3.8Å; F68-F78 HydrophobicContact CE2-CE2 4.02Å; E76-F78 HydrophobicContact CB-CE2 4.26Å; E76-F78 VanDerWaalsContact CD-CZ 3.49Å; E76-F78 HydrophobicContact CG-CD2 4.18Å; E76-F78 HydrophobicContact CG-CE2 3.56Å; E76-F78 HydrophobicContact CG-CZ 4.14Å; E76-F78 VanDerWaalsContact OE1-CZ 3.26Å; E76-F78 WeakPolarHBondContact OE1-CZ 3.41Å; F78-C91 HydrophobicContact CD1-CB 4.26Å; F78-V92 WeakPolarHBondContact CA-O 3Å
79	A	96.8	Very high	90.8	Very high	3 Å²	3	35 Å²	35	3%	0.025	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	129	163.8	0	0	0	0	0	107.7	C91 V92 L102 I106	A79-C91 CarbonylContact O-C 3.57Å; A79-C91 VanDerWaalsContact O-CA 3.3Å; A79-C91 WeakPolarHBondContact O-CA 3.5Å; A79-V92 PolarHBondContact N-O 2.76Å; A79-V92 PolarHBondContact O-N 2.93Å; A79-L102 HydrophobicContact CB-CB 3.68Å; A79-L102 HydrophobicContact CB-CD1 4.19Å; A79-L102 HydrophobicContact CB-CG 4.4Å; A79-I106 VanDerWaalsContact C-CD1 3.44Å; A79-I106 HydrophobicContact CB-CD1 3.4Å; A79-I106 WeakPolarHBondContact O-CD1 3.25Å
80	C	96.5	Very high	91.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	143.3	-173.2	-57.7	0	0	0	0	109.3	E63 Y64 V90 C91	E63-C80 CarbonylContact C-O 3.55Å; E63-C80 WeakPolarHBondContact CA-O 3.32Å; E63-C80 WeakPolarHBondContact CG-O 3.42Å; Y64-C80 HydrophobicContact CD1-CB 4.27Å; Y64-C80 HydrophobicContact CD2-CB 3.89Å; Y64-C80 HydrophobicContact CE1-CB 3.83Å; Y64-C80 HydrophobicContact CE2-CB 3.46Å; Y64-C80 VanDerWaalsContact CE2-CB 3.46Å; Y64-C80 HydrophobicContact CG-CB 4.27Å; Y64-C80 PolarHBondContact N-O 2.95Å; Y64-C80 PolarHBondContact O-N 3.36Å; C80-V90 CarbonylContact C-O 3.57Å; C80-V90 VanDerWaalsContact CA-O 3.27Å; C80-V90 WeakPolarHBondContact CA-O 3.43Å; C80-C91 PolarHBondContact SG-SG 3.15Å
81	I	95.8	Very high	91.9	Very high	15 Å²	15	30.6 Å²	30.6	8%	0.077	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	126.2	165.7	-171.7	167.3	0	0	0	109.8	E62 L83 I89 V90 I106	E62-I81 WeakPolarHBondContact O-CA 3.22Å; I81-L83 HydrophobicContact CD1-CD2 3.87Å; I81-L83 HydrophobicContact CG1-CD2 3.88Å; I81-L83 HydrophobicContact CG1-CG 4.42Å; I81-I89 WeakPolarHBondContact O-CA 3.46Å; I81-V90 HydrophobicContact CG2-CB 3.83Å; I81-V90 HydrophobicContact CG2-CG2 4.42Å; I81-V90 PolarHBondContact N-O 3.31Å; I81-V90 PolarHBondContact O-N 3.06Å; I81-I106 HydrophobicContact CB-CG2 3.8Å; I81-I106 HydrophobicContact CD1-CG2 4.06Å; I81-I106 HydrophobicContact CG2-CG2 3.63Å
82	T	93.6	Very high	92.6	Very high	10 Å²	10	24.8 Å²	24.8	6%	0.061	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	131.1	170	-56	0	0	0	0	109.1	S61 E62 Y64 P84 I89	S61-T82 WeakPolarHBondContact CA-O 3.44Å; S61-T82 VanDerWaalsContact CB-O 3.25Å; S61-T82 WeakPolarHBondContact CB-O 3.13Å; E62-T82 PolarHBondContact N-O 3.23Å; E62-T82 PolarHBondContact O-N 3.18Å; Y64-T82 WeakPolarHBondContact CE1-OG1 3.48Å; Y64-T82 PolarHBondContact OH-OG1 3.13Å; T82-P84 WeakPolarHBondContact O-CD 3.47Å; T82-I89 HydrophobicContact CG2-CG1 4.21Å
83	L	93.3	Very high	93.2	Very high	6 Å²	6	19 Å²	19	3%	0.031	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	84	179.4	-58.3	174.9	0	0	0	108.9	I81 I85 S86 G87 Y88 N110 Y115	I81-L83 HydrophobicContact CD1-CD2 3.87Å; I81-L83 HydrophobicContact CG1-CD2 3.88Å; I81-L83 HydrophobicContact CG1-CG 4.42Å; L83-I85 VanDerWaalsContact C-N 3.31Å; L83-I85 PolarHBondContact O-N 3.47Å; L83-S86 WeakPolarHBondContact CB-OG 3.45Å; L83-S86 PolarHBondContact O-N 3.07Å; L83-S86 PolarHBondContact O-OG 2.87Å; L83-G87 PolarHBondContact O-N 3.29Å; L83-Y88 WeakPolarHBondContact CA-O 3.41Å; L83-Y88 WeakPolarHBondContact CB-O 3.48Å; L83-Y88 PolarHBondContact N-O 3.05Å; L83-Y88 PolarHBondContact O-N 2.86Å; L83-N110 WeakPolarHBondContact CD2-OD1 3.1Å; L83-Y115 HydrophobicContact CD1-CD1 3.68Å; L83-Y115 HydrophobicContact CD1-CE1 3.4Å; L83-Y115 HydrophobicContact CD1-CE2 4.33Å; L83-Y115 HydrophobicContact CD1-CG 4.24Å
84	P	87.7	Confident	93.7	Very high	38 Å²	38	17.7 Å²	17.7	25%	0.247	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-31.3	-168.3	24.7	-33.6	0	0	0	113.8	S58 T82	S58-P84 WeakPolarHBondContact O-CB 3.2Å; S58-P84 WeakPolarHBondContact O-CG 2.86Å; T82-P84 WeakPolarHBondContact O-CD 3.47Å
85	I	88.9	Confident	93.9	Very high	164 Å²	164	17.8 Å²	17.8	84%	0.841	10%	0.098	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-39.2	179.2	-61.2	173.4	0	0	0	111.2	L83	L83-I85 VanDerWaalsContact C-N 3.31Å; L83-I85 PolarHBondContact O-N 3.47Å
86	S	90.3	Very high	93.9	Very high	42 Å²	42	19.3 Å²	19.3	29%	0.294	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-11.2	-179.3	60.8	0	0	0	0	113.2	L83 Y88	L83-S86 WeakPolarHBondContact CB-OG 3.45Å; L83-S86 PolarHBondContact O-N 3.07Å; L83-S86 PolarHBondContact O-OG 2.87Å; S86-Y88 VanDerWaalsContact C-N 3.35Å; S86-Y88 WeakPolarHBondContact O-CD2 3.48Å; S86-Y88 VanDerWaalsContact O-CE2 3.23Å; S86-Y88 WeakPolarHBondContact O-CE2 3.47Å
87	G	91.3	Very high	93.9	Very high	15 Å²	15	20 Å²	20	16%	0.155	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	17.4	-179.8	0	0	0	0	0	114.1	L21 L83	L21-G87 WeakPolarHBondContact CB-O 3.37Å; L21-G87 WeakPolarHBondContact CG-O 3.49Å; L21-G87 PolarHBondContact N-O 3.29Å; L83-G87 PolarHBondContact O-N 3.29Å
88	Y	94	Very high	93.7	Very high	37 Å²	37	21.5 Å²	21.5	15%	0.145	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	151.3	-177.2	-65.7	-76.8	0	0	0	113.2	I18 F19 H20 E31 L83 S86 Y115	I18-Y88 HydrophobicContact CG2-CD1 3.73Å; I18-Y88 HydrophobicContact CG2-CE1 4.44Å; I18-Y88 HydrophobicContact CG2-CG 4.48Å; F19-Y88 CarbonylContact O-C 3.51Å; F19-Y88 VanDerWaalsContact O-CA 3.31Å; F19-Y88 WeakPolarHBondContact O-CA 3.12Å; H20-Y88 HydrophobicContact CB-CE1 4.38Å; H20-Y88 AromaticContact CD2-CE1 3.91Å; E31-Y88 VanDerWaalsContact OE2-CE1 3.3Å; E31-Y88 WeakPolarHBondContact OE2-CE1 3.49Å; L83-Y88 WeakPolarHBondContact CA-O 3.41Å; L83-Y88 WeakPolarHBondContact CB-O 3.48Å; L83-Y88 PolarHBondContact N-O 3.05Å; L83-Y88 PolarHBondContact O-N 2.86Å; S86-Y88 VanDerWaalsContact C-N 3.35Å; S86-Y88 WeakPolarHBondContact O-CD2 3.48Å; S86-Y88 VanDerWaalsContact O-CE2 3.23Å; S86-Y88 WeakPolarHBondContact O-CE2 3.47Å; Y88-Y115 AromaticContact CD2-CD2 3.45Å; Y88-Y115 HydrophobicContact CD2-CD2 3.45Å; Y88-Y115 VanDerWaalsContact CD2-CD2 3.45Å; Y88-Y115 AromaticContact CD2-CE2 3.87Å; Y88-Y115 HydrophobicContact CD2-CE2 3.87Å; Y88-Y115 HydrophobicContact CD2-CG 4.43Å; Y88-Y115 AromaticContact CE2-CD2 3.93Å; Y88-Y115 HydrophobicContact CE2-CD2 3.93Å; Y88-Y115 HydrophobicContact CE2-CE2 4.33Å; Y88-Y115 AromaticContact CG-CD2 3.95Å; Y88-Y115 HydrophobicContact CG-CD2 3.95Å
89	I	95.1	Very high	93.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.2	161.7	-53.8	176.5	0	0	0	107.9	I18 F19 L21 P28 V51 L52 I81 T82	I18-I89 WeakPolarHBondContact CA-O 3.46Å; F19-I89 HydrophobicContact CB-CB 4.19Å; F19-I89 PolarHBondContact N-O 3.3Å; F19-I89 PolarHBondContact O-N 3.48Å; L21-I89 HydrophobicContact CD2-CD1 3.89Å; L21-I89 HydrophobicContact CD2-CG1 4.27Å; P28-I89 HydrophobicContact CB-CD1 4.47Å; V51-I89 HydrophobicContact CB-CD1 4.34Å; V51-I89 HydrophobicContact CB-CG2 4.38Å; V51-I89 HydrophobicContact CG2-CD1 4.23Å; L52-I89 HydrophobicContact CB-CD1 4.31Å; I81-I89 WeakPolarHBondContact O-CA 3.46Å; T82-I89 HydrophobicContact CG2-CG1 4.21Å
90	V	96	Very high	93.3	Very high	1 Å²	1	25 Å²	25	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.8	176.1	-178.2	0	0	0	0	108.7	V16 I18 C80 I81 I109 Y115	V16-V90 HydrophobicContact CG1-CG1 4.33Å; I18-V90 HydrophobicContact CG1-CG2 4.39Å; C80-V90 CarbonylContact C-O 3.57Å; C80-V90 VanDerWaalsContact CA-O 3.27Å; C80-V90 WeakPolarHBondContact CA-O 3.43Å; I81-V90 HydrophobicContact CG2-CB 3.83Å; I81-V90 HydrophobicContact CG2-CG2 4.42Å; I81-V90 PolarHBondContact N-O 3.31Å; I81-V90 PolarHBondContact O-N 3.06Å; V90-I109 HydrophobicContact CG1-CD1 4.2Å; V90-I109 HydrophobicContact CG1-CG2 3.88Å; V90-I109 HydrophobicContact CG2-CG2 4.21Å; V90-Y115 HydrophobicContact CG2-CD1 4.37Å; V90-Y115 HydrophobicContact CG2-CG 4.41Å
91	C	96.6	Very high	93.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.3	176	-54.4	0	0	0	0	110	V16 V17 F78 A79 C80	V16-C91 CarbonylContact C-O 3.58Å; V16-C91 WeakPolarHBondContact CA-O 3.49Å; V17-C91 HydrophobicContact CB-CB 4.31Å; V17-C91 PolarHBondContact N-O 3.49Å; V17-C91 PolarHBondContact O-N 3.27Å; F78-C91 HydrophobicContact CD1-CB 4.26Å; A79-C91 CarbonylContact O-C 3.57Å; A79-C91 VanDerWaalsContact O-CA 3.3Å; A79-C91 WeakPolarHBondContact O-CA 3.5Å; C80-C91 PolarHBondContact SG-SG 3.15Å
92	V	97.3	Very high	93.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	117.9	174.5	-177.5	0	0	0	0	107.7	I13 V16 F78 A79 L102 I105 I106 I109	I13-V92 HydrophobicContact CD1-CG1 3.76Å; I13-V92 HydrophobicContact CG1-CG1 4.41Å; I13-V92 HydrophobicContact CG2-CG1 3.69Å; V16-V92 HydrophobicContact CG2-CG1 4.44Å; V16-V92 HydrophobicContact CG2-CG2 4.3Å; F78-V92 WeakPolarHBondContact CA-O 3Å; A79-V92 PolarHBondContact N-O 2.76Å; A79-V92 PolarHBondContact O-N 2.93Å; V92-L102 HydrophobicContact CB-CD2 4.36Å; V92-L102 HydrophobicContact CG1-CD2 3.76Å; V92-I105 HydrophobicContact CG1-CG2 4.13Å; V92-I105 HydrophobicContact CG2-CG2 4.08Å; V92-I106 HydrophobicContact CB-CG1 4.31Å; V92-I106 HydrophobicContact CG2-CD1 4.45Å; V92-I106 HydrophobicContact CG2-CG1 3.65Å; V92-I109 HydrophobicContact CG2-CD1 4.03Å
93	S	95.5	Very high	93.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	145.1	-176.3	97.8	0	0	0	0	113.1	I13 E14 H15 E76 F77	I13-S93 WeakPolarHBondContact CA-O 3.39Å; E14-S93 WeakPolarHBondContact CB-OG 3.37Å; E14-S93 PolarHBondContact N-O 3.29Å; H15-S93 PolarHBondContact N-OG 2.94Å; H15-S93 PolarHBondContact O-N 3.15Å; E76-S93 VanDerWaalsContact OE1-CB 3.32Å; E76-S93 WeakPolarHBondContact OE1-CB 3.46Å; E76-S93 PolarHBondContact OE1-OG 2.98Å; F77-S93 CarbonylContact O-C 3.48Å; F77-S93 WeakPolarHBondContact O-CA 3.27Å
94	S	95.1	Very high	93.2	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.007	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	146.8	174.4	-176.7	0	0	0	0	110.1	L12 F77 F96	L12-S94 WeakPolarHBondContact O-CB 3.33Å; L12-S94 PolarHBondContact O-OG 2.68Å; F77-S94 WeakPolarHBondContact CD2-O 3.37Å; F77-S94 PolarHBondContact N-O 3.36Å; F77-S94 PolarHBondContact O-N 3.11Å; S94-F96 PolarHBondContact O-N 3.37Å; S94-F96 PolarHBondContact OG-N 2.84Å; S94-F96 PolarHBondContact OG-O 2.75Å
95	Y	93.3	Very high	93.5	Very high	27 Å²	27	25.5 Å²	25.5	11%	0.106	13%	0.133	C	C	.	.	S	Bend	trans	-77.9	-5.7	167.7	-58.3	-42.5	0	0	0	113	R7 T9 E14 E76	R7-Y95 HydrophobicContact CB-CD1 4.25Å; R7-Y95 HydrophobicContact CB-CD2 4.04Å; R7-Y95 HydrophobicContact CB-CG 3.82Å; R7-Y95 HydrophobicContact CG-CD2 4.16Å; R7-Y95 HydrophobicContact CG-CE2 4.43Å; R7-Y95 HydrophobicContact CG-CG 4.4Å; R7-Y95 VanDerWaalsContact NH1-CE1 3.33Å; R7-Y95 PolarHBondContact NH1-OH 3.21Å; T9-Y95 HydrophobicContact CG2-CD2 3.73Å; T9-Y95 HydrophobicContact CG2-CG 4.45Å; E14-Y95 VanDerWaalsContact CD-CD2 3.49Å; E14-Y95 HydrophobicContact CG-CD1 4.36Å; E14-Y95 HydrophobicContact CG-CD2 3.64Å; E14-Y95 HydrophobicContact CG-CE1 4.26Å; E14-Y95 HydrophobicContact CG-CE2 3.51Å; E14-Y95 HydrophobicContact CG-CG 4.05Å; E14-Y95 VanDerWaalsContact OE1-CD2 3.23Å; E14-Y95 WeakPolarHBondContact OE1-CD2 3.49Å; E14-Y95 WeakPolarHBondContact OE1-CE2 3.42Å; E76-Y95 HydrophobicContact CB-CD1 3.89Å; E76-Y95 HydrophobicContact CB-CE1 4.03Å; E76-Y95 HydrophobicContact CG-CD1 3.78Å; E76-Y95 HydrophobicContact CG-CE1 3.79Å
96	F	92	Very high	93.8	Very high	32 Å²	32	17.8 Å²	17.8	14%	0.14	9%	0.094	C	C	.	.	S	Bend	trans	-110.1	140.8	177.6	-59.1	-66.3	0	0	0	111.7	L6 T9 S94 Y98	L6-F96 HydrophobicContact CD1-CD1 4.27Å; T9-F96 HydrophobicContact CG2-CD2 4.1Å; T9-F96 HydrophobicContact CG2-CE2 3.34Å; T9-F96 HydrophobicContact CG2-CZ 3.72Å; S94-F96 PolarHBondContact O-N 3.37Å; S94-F96 PolarHBondContact OG-N 2.84Å; S94-F96 PolarHBondContact OG-O 2.75Å; F96-Y98 HydrophobicContact CB-CD1 4.08Å; F96-Y98 HydrophobicContact CB-CD2 3.47Å; F96-Y98 VanDerWaalsContact CB-CD2 3.47Å; F96-Y98 HydrophobicContact CB-CE1 3.96Å; F96-Y98 HydrophobicContact CB-CE2 3.3Å; F96-Y98 HydrophobicContact CB-CG 3.86Å; F96-Y98 HydrophobicContact CD1-CE2 4.29Å; F96-Y98 HydrophobicContact CD2-CD2 4.3Å; F96-Y98 AromaticContact CD2-CE2 3.62Å; F96-Y98 HydrophobicContact CD2-CE2 3.62Å; F96-Y98 HydrophobicContact CE2-CE2 4.47Å; F96-Y98 HydrophobicContact CG-CD2 4.15Å; F96-Y98 HydrophobicContact CG-CE1 4.49Å; F96-Y98 AromaticContact CG-CE2 3.49Å; F96-Y98 HydrophobicContact CG-CE2 3.49Å; F96-Y98 VanDerWaalsContact CG-CE2 3.49Å; F96-Y98 AromaticContact CG-CZ 3.7Å; F96-Y98 PolarHBondContact O-N 2.7Å
97	P	91.3	Very high	94	Very high	30 Å²	30	17.6 Å²	17.6	20%	0.195	9%	0.091	C	C	.	.			trans	-80.3	46	179.2	34.4	-36.4	0	0	0	112.2	F2 L6 F77 F99	F2-P97 HydrophobicContact CD2-CB 4.19Å; F2-P97 HydrophobicContact CD2-CG 4.39Å; L6-P97 HydrophobicContact CD2-CG 4.4Å; F77-P97 HydrophobicContact CD1-CB 4.46Å; F77-P97 HydrophobicContact CD2-CB 4.26Å; F77-P97 HydrophobicContact CE1-CB 4.06Å; F77-P97 HydrophobicContact CE2-CB 3.85Å; F77-P97 HydrophobicContact CE2-CG 4.27Å; F77-P97 HydrophobicContact CZ-CB 3.75Å; F77-P97 HydrophobicContact CZ-CG 4.33Å; P97-F99 HydrophobicContact CB-CD2 4.43Å; P97-F99 HydrophobicContact CB-CE1 4.39Å; P97-F99 HydrophobicContact CB-CE2 3.73Å; P97-F99 HydrophobicContact CB-CZ 3.7Å; P97-F99 WeakPolarHBondContact O-CD2 3.23Å; P97-F99 PolarHBondContact O-N 3.3Å
98	Y	91.9	Very high	94.1	Very high	31 Å²	31	17.7 Å²	17.7	12%	0.122	9%	0.088	C	C	.	.			trans	-81.2	65.1	179.7	-57.9	-30.9	0	0	0	110.7	L12 F96 E100 L101 L102 L154 P155	L12-Y98 HydrophobicContact CD2-CD2 4.12Å; L12-Y98 HydrophobicContact CD2-CE2 3.84Å; F96-Y98 HydrophobicContact CB-CD1 4.08Å; F96-Y98 HydrophobicContact CB-CD2 3.47Å; F96-Y98 VanDerWaalsContact CB-CD2 3.47Å; F96-Y98 HydrophobicContact CB-CE1 3.96Å; F96-Y98 HydrophobicContact CB-CE2 3.3Å; F96-Y98 HydrophobicContact CB-CG 3.86Å; F96-Y98 HydrophobicContact CD1-CE2 4.29Å; F96-Y98 HydrophobicContact CD2-CD2 4.3Å; F96-Y98 AromaticContact CD2-CE2 3.62Å; F96-Y98 HydrophobicContact CD2-CE2 3.62Å; F96-Y98 HydrophobicContact CE2-CE2 4.47Å; F96-Y98 HydrophobicContact CG-CD2 4.15Å; F96-Y98 HydrophobicContact CG-CE1 4.49Å; F96-Y98 AromaticContact CG-CE2 3.49Å; F96-Y98 HydrophobicContact CG-CE2 3.49Å; F96-Y98 VanDerWaalsContact CG-CE2 3.49Å; F96-Y98 AromaticContact CG-CZ 3.7Å; F96-Y98 PolarHBondContact O-N 2.7Å; Y98-E100 VanDerWaalsContact C-N 3.31Å; Y98-E100 PolarHBondContact O-N 2.71Å; Y98-L101 HydrophobicContact CD2-CD2 4.44Å; Y98-L101 WeakPolarHBondContact O-CA 3.28Å; Y98-L101 WeakPolarHBondContact O-CB 3.4Å; Y98-L101 PolarHBondContact O-N 3.17Å; Y98-L102 WeakPolarHBondContact O-CG 3.33Å; Y98-L102 PolarHBondContact O-N 3.09Å; Y98-L154 HydrophobicContact CD1-CD2 4.38Å; Y98-L154 HydrophobicContact CD2-CD1 4.04Å; Y98-L154 HydrophobicContact CD2-CD2 4Å; Y98-L154 HydrophobicContact CE1-CB 4.34Å; Y98-L154 HydrophobicContact CE2-CD1 3.79Å; Y98-L154 HydrophobicContact CG-CD2 3.94Å; Y98-P155 HydrophobicContact CD1-CG 3.47Å; Y98-P155 VanDerWaalsContact CD1-CG 3.47Å; Y98-P155 HydrophobicContact CE1-CG 3.7Å
99	F	92.6	Very high	94.1	Very high	17 Å²	17	16 Å²	16	8%	0.075	8%	0.081	C	C	.	.	H	α-helix	trans	-60.4	-33.8	-171	-58.2	-59.5	0	0	0	113.8	T65 F77 P97 L101 L102 H103 F163 H166 L207	T65-F99 HydrophobicContact CG2-CD1 4.38Å; T65-F99 HydrophobicContact CG2-CE1 3.77Å; F77-F99 AromaticContact CD1-CE1 3.9Å; F77-F99 HydrophobicContact CD1-CE1 3.9Å; F77-F99 AromaticContact CD1-CZ 3.91Å; F77-F99 HydrophobicContact CD1-CZ 3.91Å; F77-F99 HydrophobicContact CE1-CZ 4.09Å; F77-F99 HydrophobicContact CG-CE1 4.4Å; P97-F99 HydrophobicContact CB-CD2 4.43Å; P97-F99 HydrophobicContact CB-CE1 4.39Å; P97-F99 HydrophobicContact CB-CE2 3.73Å; P97-F99 HydrophobicContact CB-CZ 3.7Å; P97-F99 WeakPolarHBondContact O-CD2 3.23Å; P97-F99 PolarHBondContact O-N 3.3Å; F99-L101 VanDerWaalsContact C-N 3.33Å; F99-L101 PolarHBondContact O-N 3.33Å; F99-L102 HydrophobicContact CD1-CD1 4.16Å; F99-L102 PolarHBondContact O-N 2.9Å; F99-H103 WeakPolarHBondContact O-CB 3.39Å; F99-H103 PolarHBondContact O-N 3.06Å; F99-F163 HydrophobicContact CB-CB 4.21Å; F99-F163 HydrophobicContact CB-CD1 3.64Å; F99-F163 HydrophobicContact CB-CD2 3.64Å; F99-F163 HydrophobicContact CB-CE1 3.73Å; F99-F163 HydrophobicContact CB-CE2 3.8Å; F99-F163 HydrophobicContact CB-CG 3.55Å; F99-F163 HydrophobicContact CB-CZ 3.82Å; F99-F163 HydrophobicContact CD2-CB 3.98Å; F99-F163 HydrophobicContact CD2-CD1 4.48Å; F99-F163 HydrophobicContact CD2-CG 4.24Å; F99-F163 HydrophobicContact CG-CD1 4.28Å; F99-F163 HydrophobicContact CG-CG 4.28Å; F99-H166 AromaticContact CG-CE1 4Å; F99-L207 HydrophobicContact CE1-CD1 4.4Å; F99-L207 HydrophobicContact CZ-CD1 4.21Å; F99-L207 HydrophobicContact CZ-CD2 4.28Å
100	E	91.1	Very high	94	Very high	60 Å²	60	18.2 Å²	18.2	28%	0.28	9%	0.093	S	C	.	.	H	α-helix	trans	-60.1	-42.2	171.2	-84.3	95.6	-162	0	0	112.1	Y98 S104 I152 F163 H164	Y98-E100 VanDerWaalsContact C-N 3.31Å; Y98-E100 PolarHBondContact O-N 2.71Å; E100-S104 VanDerWaalsContact O-CB 3.31Å; E100-S104 WeakPolarHBondContact O-CB 3.45Å; E100-S104 PolarHBondContact O-N 3.1Å; E100-S104 VanDerWaalsContact O-N 3.07Å; E100-S104 PolarHBondContact O-OG 2.75Å; E100-I152 HydrophobicContact CB-CG2 4.02Å; E100-F163 HydrophobicContact CB-CE2 4.23Å; E100-F163 HydrophobicContact CG-CD2 4.1Å; E100-F163 HydrophobicContact CG-CE2 3.77Å; E100-F163 VanDerWaalsContact N-CE2 3.33Å; E100-F163 VanDerWaalsContact OE1-CD2 3.32Å; E100-F163 WeakPolarHBondContact OE1-CD2 3.16Å; E100-H164 IonicContact OE1-CE1 2.66Å; E100-H164 IonicContact OE1-ND1 2.82Å; E100-H164 PolarHBondContact OE1-ND1 3.3Å
101	L	93.6	Very high	93.9	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-67.8	-49.9	178.2	175.3	63.8	0	0	0	110.8	L12 I13 Y98 F99 H103 S104 I105 L130 A137 L150 I152 L154	L12-L101 HydrophobicContact CB-CD2 4Å; L12-L101 HydrophobicContact CD1-CD2 4.25Å; L12-L101 HydrophobicContact CG-CD2 4.5Å; I13-L101 HydrophobicContact CD1-CD2 4.4Å; Y98-L101 HydrophobicContact CD2-CD2 4.44Å; Y98-L101 WeakPolarHBondContact O-CA 3.28Å; Y98-L101 WeakPolarHBondContact O-CB 3.4Å; Y98-L101 PolarHBondContact O-N 3.17Å; F99-L101 VanDerWaalsContact C-N 3.33Å; F99-L101 PolarHBondContact O-N 3.33Å; L101-H103 VanDerWaalsContact C-N 3.33Å; L101-H103 PolarHBondContact O-N 3.39Å; L101-S104 WeakPolarHBondContact O-CB 3.2Å; L101-S104 PolarHBondContact O-N 3.28Å; L101-S104 VanDerWaalsContact O-N 3.11Å; L101-I105 HydrophobicContact CD1-CD1 4.41Å; L101-I105 HydrophobicContact CD1-CG1 4.11Å; L101-I105 HydrophobicContact CG-CG1 4.5Å; L101-I105 WeakPolarHBondContact O-CG1 3.35Å; L101-I105 PolarHBondContact O-N 2.99Å; L101-L130 HydrophobicContact CD1-CD1 4.15Å; L101-A137 HydrophobicContact CD1-CB 4.1Å; L101-A137 HydrophobicContact CD2-CB 4.1Å; L101-L150 HydrophobicContact CD1-CD2 4.06Å; L101-I152 HydrophobicContact CB-CD1 4.18Å; L101-I152 HydrophobicContact CD1-CD1 3.98Å; L101-L154 HydrophobicContact CB-CD2 4.41Å; L101-L154 HydrophobicContact CD2-CD2 4.33Å
102	L	95.6	Very high	93.6	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-56.8	-46.9	178.6	-67.1	174.3	0	0	0	111.6	I13 F77 A79 V92 Y98 F99 S104 I105 I106	I13-L102 HydrophobicContact CD1-CD2 3.62Å; F77-L102 HydrophobicContact CB-CD1 4.41Å; A79-L102 HydrophobicContact CB-CB 3.68Å; A79-L102 HydrophobicContact CB-CD1 4.19Å; A79-L102 HydrophobicContact CB-CG 4.4Å; V92-L102 HydrophobicContact CB-CD2 4.36Å; V92-L102 HydrophobicContact CG1-CD2 3.76Å; Y98-L102 WeakPolarHBondContact O-CG 3.33Å; Y98-L102 PolarHBondContact O-N 3.09Å; F99-L102 HydrophobicContact CD1-CD1 4.16Å; F99-L102 PolarHBondContact O-N 2.9Å; L102-S104 VanDerWaalsContact C-N 3.3Å; L102-S104 PolarHBondContact O-N 2.61Å; L102-I105 PolarHBondContact O-N 2.81Å; L102-I106 WeakPolarHBondContact O-CG1 3.39Å; L102-I106 PolarHBondContact O-N 3.22Å
103	H	94.3	Very high	93.5	Very high	46 Å²	46	31.1 Å²	31.1	21%	0.213	15%	0.153	C	C	.	.	H	α-helix	trans	-59.5	-42.3	176.5	177.1	53.3	0	0	0	112	E63 F99 L101 I106 T107 F163 R165	E63-H103 IonicContact OE1-CE1 2.84Å; E63-H103 IonicContact OE1-CG 3.67Å; E63-H103 IonicContact OE1-ND1 3.87Å; E63-H103 PolarHBondContact OE1-ND1 3.4Å; E63-H103 IonicContact OE2-CE1 2.69Å; E63-H103 PolarHBondContact OE2-CE1 3.23Å; E63-H103 IonicContact OE2-ND1 2.72Å; E63-H103 PolarHBondContact OE2-ND1 2.99Å; F99-H103 WeakPolarHBondContact O-CB 3.39Å; F99-H103 PolarHBondContact O-N 3.06Å; L101-H103 VanDerWaalsContact C-N 3.33Å; L101-H103 PolarHBondContact O-N 3.39Å; H103-I106 PolarHBondContact O-N 2.86Å; H103-T107 PolarHBondContact CE1-OG1 3.33Å; H103-T107 VanDerWaalsContact CE1-OG1 3.25Å; H103-T107 WeakPolarHBondContact O-CB 3.31Å; H103-T107 PolarHBondContact O-N 2.94Å; H103-T107 PolarHBondContact O-OG1 3.43Å; H103-F163 HydrophobicContact CB-CZ 4.37Å; H103-R165 PolarHBondContact CE1-NH1 2.68Å; H103-R165 PolarHBondContact NE2-NH1 3.18Å
104	S	93.3	Very high	93.4	Very high	29 Å²	29	31.5 Å²	31.5	20%	0.203	16%	0.155	C	C	.	.	H	α-helix	trans	-67.9	-39.5	-178.7	-62.7	0	0	0	0	112.3	E100 L101 L102 T107 L108 I152	E100-S104 VanDerWaalsContact O-CB 3.31Å; E100-S104 WeakPolarHBondContact O-CB 3.45Å; E100-S104 PolarHBondContact O-N 3.1Å; E100-S104 VanDerWaalsContact O-N 3.07Å; E100-S104 PolarHBondContact O-OG 2.75Å; L101-S104 WeakPolarHBondContact O-CB 3.2Å; L101-S104 PolarHBondContact O-N 3.28Å; L101-S104 VanDerWaalsContact O-N 3.11Å; L102-S104 VanDerWaalsContact C-N 3.3Å; L102-S104 PolarHBondContact O-N 2.61Å; S104-T107 PolarHBondContact O-N 3.07Å; S104-L108 WeakPolarHBondContact O-CB 3.45Å; S104-L108 PolarHBondContact O-N 3.04Å; S104-I152 VanDerWaalsContact OG-CD1 3.29Å; S104-I152 WeakPolarHBondContact OG-CD1 3.23Å
105	I	95.1	Very high	93.4	Very high	2 Å²	2	32 Å²	32	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-66.6	-43.2	174.4	-62.5	-61.1	0	0	0	110.8	V92 L101 L102 T107 L108 I109 I126	V92-I105 HydrophobicContact CG1-CG2 4.13Å; V92-I105 HydrophobicContact CG2-CG2 4.08Å; L101-I105 HydrophobicContact CD1-CD1 4.41Å; L101-I105 HydrophobicContact CD1-CG1 4.11Å; L101-I105 HydrophobicContact CG-CG1 4.5Å; L101-I105 WeakPolarHBondContact O-CG1 3.35Å; L101-I105 PolarHBondContact O-N 2.99Å; L102-I105 PolarHBondContact O-N 2.81Å; I105-T107 VanDerWaalsContact C-N 3.32Å; I105-T107 PolarHBondContact O-N 2.83Å; I105-L108 PolarHBondContact O-N 2.95Å; I105-I109 HydrophobicContact CG2-CD1 3.84Å; I105-I109 HydrophobicContact CG2-CG1 4.49Å; I105-I109 VanDerWaalsContact O-CG1 3.32Å; I105-I109 WeakPolarHBondContact O-CG1 3.38Å; I105-I109 PolarHBondContact O-N 2.87Å; I105-I126 HydrophobicContact CD1-CG2 4.04Å
106	I	95.4	Very high	93.4	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-58.4	-45.7	173.3	-77.3	177.5	0	0	0	111.4	E63 A79 I81 V92 L102 H103 L108 I109 N110	E63-I106 HydrophobicContact CG-CD1 4.49Å; A79-I106 VanDerWaalsContact C-CD1 3.44Å; A79-I106 HydrophobicContact CB-CD1 3.4Å; A79-I106 WeakPolarHBondContact O-CD1 3.25Å; I81-I106 HydrophobicContact CB-CG2 3.8Å; I81-I106 HydrophobicContact CD1-CG2 4.06Å; I81-I106 HydrophobicContact CG2-CG2 3.63Å; V92-I106 HydrophobicContact CB-CG1 4.31Å; V92-I106 HydrophobicContact CG2-CD1 4.45Å; V92-I106 HydrophobicContact CG2-CG1 3.65Å; L102-I106 WeakPolarHBondContact O-CG1 3.39Å; L102-I106 PolarHBondContact O-N 3.22Å; H103-I106 PolarHBondContact O-N 2.86Å; I106-L108 VanDerWaalsContact C-N 3.33Å; I106-L108 PolarHBondContact O-N 3.43Å; I106-I109 PolarHBondContact O-N 3.27Å; I106-N110 WeakPolarHBondContact O-CB 3.37Å; I106-N110 PolarHBondContact O-N 3.45Å
107	T	93.7	Very high	93.4	Very high	39 Å²	39	41.6 Å²	41.6	24%	0.239	20%	0.198	C	C	.	.	H	α-helix	trans	-61.8	-44.5	-179.5	-62.4	0	0	0	0	110.7	H103 S104 I105 N110 Q111	H103-T107 PolarHBondContact CE1-OG1 3.33Å; H103-T107 VanDerWaalsContact CE1-OG1 3.25Å; H103-T107 WeakPolarHBondContact O-CB 3.31Å; H103-T107 PolarHBondContact O-N 2.94Å; H103-T107 PolarHBondContact O-OG1 3.43Å; S104-T107 PolarHBondContact O-N 3.07Å; I105-T107 VanDerWaalsContact C-N 3.32Å; I105-T107 PolarHBondContact O-N 2.83Å; T107-N110 PolarHBondContact O-N 3.34Å; T107-Q111 HydrophobicContact CG2-CG 4.23Å; T107-Q111 WeakPolarHBondContact O-CB 3.45Å; T107-Q111 VanDerWaalsContact O-CG 3.25Å; T107-Q111 WeakPolarHBondContact O-CG 3.46Å; T107-Q111 PolarHBondContact O-N 3.21Å
108	L	93.1	Very high	93.5	Very high	16 Å²	16	46.2 Å²	46.2	8%	0.084	22%	0.217	C	C	.	.	H	α-helix	trans	-61.3	-48.4	175.5	-179.9	61.1	0	0	0	111.9	S104 I105 I106 N110 Q111 E112 I126 L139 T148	S104-L108 WeakPolarHBondContact O-CB 3.45Å; S104-L108 PolarHBondContact O-N 3.04Å; I105-L108 PolarHBondContact O-N 2.95Å; I106-L108 VanDerWaalsContact C-N 3.33Å; I106-L108 PolarHBondContact O-N 3.43Å; L108-N110 VanDerWaalsContact C-N 3.26Å; L108-N110 PolarHBondContact O-N 3.4Å; L108-Q111 PolarHBondContact O-N 3.48Å; L108-E112 HydrophobicContact CD1-CG 3.87Å; L108-E112 WeakPolarHBondContact O-CB 3.43Å; L108-E112 PolarHBondContact O-N 2.91Å; L108-I126 HydrophobicContact CD2-CD1 3.65Å; L108-I126 HydrophobicContact CD2-CG1 4.07Å; L108-I126 HydrophobicContact CD2-CG2 4.4Å; L108-I126 HydrophobicContact CG-CD1 4.12Å; L108-L139 HydrophobicContact CD2-CD2 3.78Å; L108-T148 HydrophobicContact CD1-CG2 3.74Å; L108-T148 HydrophobicContact CD2-CG2 3.98Å
109	I	94.4	Very high	93.6	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-58.2	-41	177.2	-71.1	165.2	0	0	0	111	V16 V90 V92 I105 I106 H113 L114 Y115	V16-I109 HydrophobicContact CG1-CD1 3.99Å; V16-I109 HydrophobicContact CG2-CD1 4.46Å; V90-I109 HydrophobicContact CG1-CD1 4.2Å; V90-I109 HydrophobicContact CG1-CG2 3.88Å; V90-I109 HydrophobicContact CG2-CG2 4.21Å; V92-I109 HydrophobicContact CG2-CD1 4.03Å; I105-I109 HydrophobicContact CG2-CD1 3.84Å; I105-I109 HydrophobicContact CG2-CG1 4.49Å; I105-I109 VanDerWaalsContact O-CG1 3.32Å; I105-I109 WeakPolarHBondContact O-CG1 3.38Å; I105-I109 PolarHBondContact O-N 2.87Å; I106-I109 PolarHBondContact O-N 3.27Å; I109-H113 PolarHBondContact O-N 2.95Å; I109-L114 HydrophobicContact CG1-CD1 4.24Å; I109-L114 HydrophobicContact CG2-CB 4.15Å; I109-L114 PolarHBondContact O-N 2.84Å; I109-Y115 HydrophobicContact CG2-CD1 4.4Å
110	N	93.9	Very high	93.6	Very high	47 Å²	47	46.9 Å²	46.9	25%	0.251	22%	0.222	S	C	.	.	H	α-helix	trans	-72.2	-45.7	-178.4	-171.5	29.2	0	0	0	112.5	L83 I106 T107 L108 H113	L83-N110 WeakPolarHBondContact CD2-OD1 3.1Å; I106-N110 WeakPolarHBondContact O-CB 3.37Å; I106-N110 PolarHBondContact O-N 3.45Å; T107-N110 PolarHBondContact O-N 3.34Å; L108-N110 VanDerWaalsContact C-N 3.26Å; L108-N110 PolarHBondContact O-N 3.4Å; N110-H113 PolarHBondContact O-N 2.88Å
111	Q	92.1	Very high	93.6	Very high	127 Å²	127	49.4 Å²	49.4	59%	0.593	23%	0.234	S	C	*	.	H	α-helix	trans	-63.6	-40.9	-179.3	-75.9	174.5	-12.1	0	0	112.4	T107 L108 H113	T107-Q111 HydrophobicContact CG2-CG 4.23Å; T107-Q111 WeakPolarHBondContact O-CB 3.45Å; T107-Q111 VanDerWaalsContact O-CG 3.25Å; T107-Q111 WeakPolarHBondContact O-CG 3.46Å; T107-Q111 PolarHBondContact O-N 3.21Å; L108-Q111 PolarHBondContact O-N 3.48Å; Q111-H113 VanDerWaalsContact C-N 3.28Å; Q111-H113 PolarHBondContact O-N 2.92Å
112	E	91.6	Very high	93.5	Very high	68 Å²	68	52 Å²	52	32%	0.318	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	5.7	-179.5	-60.6	-63.3	142	0	0	112.4	L108 L114 N146	L108-E112 HydrophobicContact CD1-CG 3.87Å; L108-E112 WeakPolarHBondContact O-CB 3.43Å; L108-E112 PolarHBondContact O-N 2.91Å; E112-L114 HydrophobicContact CB-CD1 4.33Å; E112-L114 HydrophobicContact CB-CD2 3.55Å; E112-L114 HydrophobicContact CB-CG 3.72Å; E112-L114 WeakPolarHBondContact O-CD2 3.26Å; E112-L114 PolarHBondContact O-N 2.66Å; E112-L114 VanDerWaalsContact O-N 3.14Å; E112-N146 PolarHBondContact OE2-ND2 3.16Å
113	H	94	Very high	93.4	Very high	77 Å²	77	52 Å²	52	36%	0.356	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	37.1	-178.3	-56.9	-74.7	0	0	0	113.5	I109 N110 Q111 Y115 R116 N119	I109-H113 PolarHBondContact O-N 2.95Å; N110-H113 PolarHBondContact O-N 2.88Å; Q111-H113 VanDerWaalsContact C-N 3.28Å; Q111-H113 PolarHBondContact O-N 2.92Å; H113-Y115 HydrophobicContact CB-CE1 4.4Å; H113-Y115 AromaticContact ND1-CZ 3.55Å; H113-Y115 PolarHBondContact ND1-OH 2.87Å; H113-Y115 PolarHBondContact O-N 2.81Å; H113-R116 HydrophobicContact CB-CG 4.4Å; H113-R116 WeakPolarHBondContact O-CB 3.45Å; H113-R116 PolarHBondContact O-N 3.31Å; H113-R116 VanDerWaalsContact O-N 3.08Å; H113-N119 PolarHBondContact O-ND2 3.04Å
114	L	94.6	Very high	93.4	Very high	7 Å²	7	56 Å²	56	4%	0.037	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-9	-175.3	-50.3	-176.4	0	0	0	113	I109 E112 R116 N119 R120 N122 I123 I126	I109-L114 HydrophobicContact CG1-CD1 4.24Å; I109-L114 HydrophobicContact CG2-CB 4.15Å; I109-L114 PolarHBondContact O-N 2.84Å; E112-L114 HydrophobicContact CB-CD1 4.33Å; E112-L114 HydrophobicContact CB-CD2 3.55Å; E112-L114 HydrophobicContact CB-CG 3.72Å; E112-L114 WeakPolarHBondContact O-CD2 3.26Å; E112-L114 PolarHBondContact O-N 2.66Å; E112-L114 VanDerWaalsContact O-N 3.14Å; L114-R116 VanDerWaalsContact C-N 3.29Å; L114-N119 HydrophobicContact CD2-CB 4.01Å; L114-R120 WeakPolarHBondContact O-CA 3.48Å; L114-R120 WeakPolarHBondContact O-CG 3.46Å; L114-N122 HydrophobicContact CD1-CB 4.38Å; L114-N122 HydrophobicContact CD2-CB 3.94Å; L114-I123 HydrophobicContact CB-CD1 4.18Å; L114-I123 HydrophobicContact CB-CG1 3.82Å; L114-I123 HydrophobicContact CD1-CG1 4.29Å; L114-I123 WeakPolarHBondContact O-CD1 3.48Å; L114-I126 HydrophobicContact CD1-CD1 3.25Å
115	Y	94.3	Very high	93.3	Very high	13 Å²	13	56.6 Å²	56.6	5%	0.051	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-20.5	172.7	52.3	-98.1	0	0	0	113.7	L83 Y88 V90 I109 H113 R120	L83-Y115 HydrophobicContact CD1-CD1 3.68Å; L83-Y115 HydrophobicContact CD1-CE1 3.4Å; L83-Y115 HydrophobicContact CD1-CE2 4.33Å; L83-Y115 HydrophobicContact CD1-CG 4.24Å; Y88-Y115 AromaticContact CD2-CD2 3.45Å; Y88-Y115 HydrophobicContact CD2-CD2 3.45Å; Y88-Y115 VanDerWaalsContact CD2-CD2 3.45Å; Y88-Y115 AromaticContact CD2-CE2 3.87Å; Y88-Y115 HydrophobicContact CD2-CE2 3.87Å; Y88-Y115 HydrophobicContact CD2-CG 4.43Å; Y88-Y115 AromaticContact CE2-CD2 3.93Å; Y88-Y115 HydrophobicContact CE2-CD2 3.93Å; Y88-Y115 HydrophobicContact CE2-CE2 4.33Å; Y88-Y115 AromaticContact CG-CD2 3.95Å; Y88-Y115 HydrophobicContact CG-CD2 3.95Å; V90-Y115 HydrophobicContact CG2-CD1 4.37Å; V90-Y115 HydrophobicContact CG2-CG 4.41Å; I109-Y115 HydrophobicContact CG2-CD1 4.4Å; H113-Y115 HydrophobicContact CB-CE1 4.4Å; H113-Y115 AromaticContact ND1-CZ 3.55Å; H113-Y115 PolarHBondContact ND1-OH 2.87Å; H113-Y115 PolarHBondContact O-N 2.81Å; Y115-R120 PolarHBondContact O-NE 3.33Å; Y115-R120 PolarHBondContact O-NH2 3.38Å
116	R	94.4	Very high	93.2	Very high	116 Å²	116	56.9 Å²	56.9	44%	0.438	27%	0.27	S	S	.	.	S	Bend	trans	-71.9	140.2	174.5	-65.7	-174.9	176.1	-177.3	0.2	110.8	H113 L114 E118 N119 R120	H113-R116 HydrophobicContact CB-CG 4.4Å; H113-R116 WeakPolarHBondContact O-CB 3.45Å; H113-R116 PolarHBondContact O-N 3.31Å; H113-R116 VanDerWaalsContact O-N 3.08Å; L114-R116 VanDerWaalsContact C-N 3.29Å; R116-E118 VanDerWaalsContact C-N 3.26Å; R116-E118 HydrophobicContact CB-CG 4.15Å; R116-E118 IonicContact NH1-OE1 3.96Å; R116-E118 PolarHBondContact O-N 2.97Å; R116-E118 VanDerWaalsContact O-N 3.14Å; R116-N119 PolarHBondContact O-N 2.71Å; R116-R120 WeakPolarHBondContact O-CG 3.35Å; R116-R120 PolarHBondContact O-N 2.92Å
117	E	92.5	Very high	93.1	Very high	143 Å²	143	58.4 Å²	58.4	67%	0.668	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-46.3	-47.3	-176.9	-67.2	-172.1	155.6	0	0	113.7	N119 R120	E117-N119 PolarHBondContact O-N 3.3Å; E117-R120 PolarHBondContact O-N 3.05Å
118	E	92.8	Very high	92.9	Very high	127 Å²	127	64.5 Å²	64.5	59%	0.593	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-58.3	-30.1	-179.7	58.5	-172.6	178.3	0	0	114.1	R116 H121	R116-E118 VanDerWaalsContact C-N 3.26Å; R116-E118 HydrophobicContact CB-CG 4.15Å; R116-E118 IonicContact NH1-OE1 3.96Å; R116-E118 PolarHBondContact O-N 2.97Å; R116-E118 VanDerWaalsContact O-N 3.14Å; E118-H121 PolarHBondContact O-CE1 2.92Å; E118-H121 PolarHBondContact O-ND1 3.39Å
119	N	92.7	Very high	92.9	Very high	44 Å²	44	66.4 Å²	66.4	24%	0.235	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-105	-7.8	-173.1	-66.4	-25.7	0	0	0	114	H113 L114 R116 E117 H121 N122	H113-N119 PolarHBondContact O-ND2 3.04Å; L114-N119 HydrophobicContact CD2-CB 4.01Å; R116-N119 PolarHBondContact O-N 2.71Å; E117-N119 PolarHBondContact O-N 3.3Å; N119-H121 PolarHBondContact O-N 3.36Å; N119-H121 VanDerWaalsContact O-N 3.15Å; N119-N122 WeakPolarHBondContact O-CB 3.27Å; N119-N122 PolarHBondContact O-N 3.25Å; N119-N122 PolarHBondContact O-ND2 3.08Å
120	R	93.5	Very high	92.8	Very high	18 Å²	18	67.2 Å²	67.2	7%	0.068	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-30.5	-173.1	-77.7	174.1	-168.4	165.2	5.6	114.2	I18 E31 Y32 L114 Y115 R116 E117 N122 I123	I18-R120 HydrophobicContact CD1-CG 4.09Å; E31-R120 VanDerWaalsContact CD-NH1 3.3Å; E31-R120 IonicContact OE1-CZ 2.71Å; E31-R120 IonicContact OE1-NH1 3.93Å; E31-R120 PolarHBondContact OE1-NH1 2.88Å; E31-R120 IonicContact OE1-NH2 2.72Å; E31-R120 PolarHBondContact OE1-NH2 3.15Å; E31-R120 IonicContact OE2-CZ 3.04Å; E31-R120 IonicContact OE2-NH1 3.15Å; E31-R120 IonicContact OE2-NH2 3.96Å; E31-R120 PolarHBondContact OE2-NH2 2.96Å; Y32-R120 HydrophobicContact CD2-CB 4.42Å; Y32-R120 HydrophobicContact CE1-CB 4.45Å; Y32-R120 HydrophobicContact CE2-CB 4.12Å; Y32-R120 HydrophobicContact CG-CG 4.43Å; Y32-R120 PolarHBondContact OH-O 3.42Å; L114-R120 WeakPolarHBondContact O-CA 3.48Å; L114-R120 WeakPolarHBondContact O-CG 3.46Å; Y115-R120 PolarHBondContact O-NE 3.33Å; Y115-R120 PolarHBondContact O-NH2 3.38Å; R116-R120 WeakPolarHBondContact O-CG 3.35Å; R116-R120 PolarHBondContact O-N 2.92Å; E117-R120 PolarHBondContact O-N 3.05Å; R120-N122 PolarHBondContact O-N 3.33Å; R120-N122 VanDerWaalsContact O-N 3.14Å; R120-I123 VanDerWaalsContact O-CB 3.3Å; R120-I123 WeakPolarHBondContact O-CB 3.22Å; R120-I123 PolarHBondContact O-N 3.28Å
121	H	90.7	Very high	92.7	Very high	113 Å²	113	69.8 Å²	69.8	52%	0.523	32%	0.32	S	S	.	.	H	α-helix	trans	-57.5	-27.5	177.1	65.6	-88	0	0	0	113	E118 N119 I123 E124	E118-H121 PolarHBondContact O-CE1 2.92Å; E118-H121 PolarHBondContact O-ND1 3.39Å; N119-H121 PolarHBondContact O-N 3.36Å; N119-H121 VanDerWaalsContact O-N 3.15Å; H121-I123 VanDerWaalsContact C-N 3.27Å; H121-I123 PolarHBondContact O-N 2.97Å; H121-E124 PolarHBondContact O-N 3.08Å
122	N	92.1	Very high	92.6	Very high	56 Å²	56	70.1 Å²	70.1	30%	0.299	32%	0.317	S	S	.	.	H	α-helix	trans	-71.6	-20.2	177.3	-66.6	-49.7	0	0	0	113.1	L114 N119 R120 V125 I126	L114-N122 HydrophobicContact CD1-CB 4.38Å; L114-N122 HydrophobicContact CD2-CB 3.94Å; N119-N122 WeakPolarHBondContact O-CB 3.27Å; N119-N122 PolarHBondContact O-N 3.25Å; N119-N122 PolarHBondContact O-ND2 3.08Å; R120-N122 PolarHBondContact O-N 3.33Å; R120-N122 VanDerWaalsContact O-N 3.14Å; N122-V125 PolarHBondContact O-N 2.76Å; N122-I126 WeakPolarHBondContact O-CG1 3.44Å; N122-I126 PolarHBondContact O-N 2.96Å
123	I	94.3	Very high	92.4	Very high	1 Å²	1	73.2 Å²	73.2	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-63.7	-45.1	174.6	-61.8	175	0	0	0	109.6	V16 I18 Y32 C34 L114 R120 H121 V125 I126 L127	V16-I123 HydrophobicContact CB-CG2 3.84Å; V16-I123 HydrophobicContact CG1-CD1 4.27Å; V16-I123 HydrophobicContact CG1-CG2 3.96Å; V16-I123 HydrophobicContact CG2-CG2 3.87Å; I18-I123 HydrophobicContact CD1-CD1 3.83Å; Y32-I123 HydrophobicContact CD1-CD1 4.48Å; Y32-I123 HydrophobicContact CE1-CD1 3.96Å; C34-I123 HydrophobicContact CB-CG2 4.21Å; L114-I123 HydrophobicContact CB-CD1 4.18Å; L114-I123 HydrophobicContact CB-CG1 3.82Å; L114-I123 HydrophobicContact CD1-CG1 4.29Å; L114-I123 WeakPolarHBondContact O-CD1 3.48Å; R120-I123 VanDerWaalsContact O-CB 3.3Å; R120-I123 WeakPolarHBondContact O-CB 3.22Å; R120-I123 PolarHBondContact O-N 3.28Å; H121-I123 VanDerWaalsContact C-N 3.27Å; H121-I123 PolarHBondContact O-N 2.97Å; I123-V125 VanDerWaalsContact C-N 3.3Å; I123-V125 PolarHBondContact O-N 3.37Å; I123-I126 WeakPolarHBondContact O-CB 3.41Å; I123-I126 PolarHBondContact O-N 2.68Å; I123-I126 VanDerWaalsContact O-N 3.16Å; I123-L127 HydrophobicContact CG2-CD1 4.46Å; I123-L127 HydrophobicContact CG2-CG 4.47Å; I123-L127 WeakPolarHBondContact O-CG 3.29Å; I123-L127 PolarHBondContact O-N 3.24Å
124	E	92.6	Very high	92	Very high	129 Å²	129	74.1 Å²	74.1	60%	0.603	35%	0.346	S	S	*	.	H	α-helix	trans	-62.8	-39	177.7	-171.6	175.8	178.8	0	0	111.6	H121 L127 R128	H121-E124 PolarHBondContact O-N 3.08Å; E124-L127 PolarHBondContact O-N 2.95Å; E124-R128 WeakPolarHBondContact O-CB 3.31Å; E124-R128 PolarHBondContact O-N 3Å
125	V	91.8	Very high	91.6	Very high	42 Å²	42	74.1 Å²	74.1	26%	0.255	35%	0.347	S	S	.	.	H	α-helix	trans	-60.7	-47.5	173	-179.6	0	0	0	0	110.6	N122 I123 L127 R128 E129	N122-V125 PolarHBondContact O-N 2.76Å; I123-V125 VanDerWaalsContact C-N 3.3Å; I123-V125 PolarHBondContact O-N 3.37Å; V125-L127 VanDerWaalsContact C-N 3.34Å; V125-L127 PolarHBondContact O-N 3.38Å; V125-R128 PolarHBondContact O-N 2.72Å; V125-E129 HydrophobicContact CG1-CG 4.09Å; V125-E129 WeakPolarHBondContact O-CB 3.34Å; V125-E129 VanDerWaalsContact O-CG 3.3Å; V125-E129 WeakPolarHBondContact O-CG 3.41Å; V125-E129 PolarHBondContact O-N 2.98Å
126	I	92.1	Very high	91.4	Very high	8 Å²	8	74.9 Å²	74.9	4%	0.041	35%	0.353	C	S	.	.	H	α-helix	trans	-57.6	-47.1	177	-71.8	161.1	0	0	0	111.2	I105 L108 L114 N122 I123 R128 E129 L130 L139 I141	I105-I126 HydrophobicContact CD1-CG2 4.04Å; L108-I126 HydrophobicContact CD2-CD1 3.65Å; L108-I126 HydrophobicContact CD2-CG1 4.07Å; L108-I126 HydrophobicContact CD2-CG2 4.4Å; L108-I126 HydrophobicContact CG-CD1 4.12Å; L114-I126 HydrophobicContact CD1-CD1 3.25Å; N122-I126 WeakPolarHBondContact O-CG1 3.44Å; N122-I126 PolarHBondContact O-N 2.96Å; I123-I126 WeakPolarHBondContact O-CB 3.41Å; I123-I126 PolarHBondContact O-N 2.68Å; I123-I126 VanDerWaalsContact O-N 3.16Å; I126-R128 VanDerWaalsContact C-N 3.31Å; I126-R128 PolarHBondContact O-N 3.02Å; I126-E129 PolarHBondContact O-N 2.72Å; I126-L130 VanDerWaalsContact O-CB 3.3Å; I126-L130 WeakPolarHBondContact O-CB 3.2Å; I126-L130 PolarHBondContact O-N 3.3Å; I126-L139 HydrophobicContact CG2-CD1 4.25Å; I126-L139 HydrophobicContact CG2-CD2 3.92Å; I126-L139 WeakPolarHBondContact O-CD1 3.4Å; I126-I141 HydrophobicContact CB-CD1 4.45Å; I126-I141 HydrophobicContact CG1-CD1 3.52Å
127	L	93.3	Very high	91.3	Very high	34 Å²	34	69.4 Å²	69.4	18%	0.178	33%	0.333	C	S	.	.	H	α-helix	trans	-66	-34.1	-179.4	-63.9	-174	0	0	0	112.3	I13 V16 C34 I123 E124 V125	I13-L127 HydrophobicContact CB-CD2 3.82Å; I13-L127 HydrophobicContact CG1-CD2 4.25Å; I13-L127 HydrophobicContact CG2-CD2 3.64Å; V16-L127 HydrophobicContact CG2-CD1 4.14Å; V16-L127 HydrophobicContact CG2-CD2 4.17Å; C34-L127 HydrophobicContact CB-CD1 4.45Å; I123-L127 HydrophobicContact CG2-CD1 4.46Å; I123-L127 HydrophobicContact CG2-CG 4.47Å; I123-L127 WeakPolarHBondContact O-CG 3.29Å; I123-L127 PolarHBondContact O-N 3.24Å; E124-L127 PolarHBondContact O-N 2.95Å; V125-L127 VanDerWaalsContact C-N 3.34Å; V125-L127 PolarHBondContact O-N 3.38Å
128	R	91.1	Very high	91.3	Very high	166 Å²	166	64.2 Å²	64.2	63%	0.626	31%	0.311	S	S	*	.	H	α-helix	trans	-72.7	-40.3	178.2	-170.1	-178.4	71.7	-163.6	-1.1	112.9	E124 V125 I126 L130 H131	E124-R128 WeakPolarHBondContact O-CB 3.31Å; E124-R128 PolarHBondContact O-N 3Å; V125-R128 PolarHBondContact O-N 2.72Å; I126-R128 VanDerWaalsContact C-N 3.31Å; I126-R128 PolarHBondContact O-N 3.02Å; R128-L130 VanDerWaalsContact C-N 3.27Å; R128-H131 PolarHBondContact O-CE1 2.84Å
129	E	91.6	Very high	91.2	Very high	56 Å²	56	58.2 Å²	58.2	26%	0.262	28%	0.283	S	S	.	.	H	α-helix	trans	-85	-0.6	-179.8	-56.6	-56.9	137.9	0	0	112.6	V125 I126 H131 L139 I141	V125-E129 HydrophobicContact CG1-CG 4.09Å; V125-E129 WeakPolarHBondContact O-CB 3.34Å; V125-E129 VanDerWaalsContact O-CG 3.3Å; V125-E129 WeakPolarHBondContact O-CG 3.41Å; V125-E129 PolarHBondContact O-N 2.98Å; I126-E129 PolarHBondContact O-N 2.72Å; E129-H131 PolarHBondContact O-CD2 2.92Å; E129-H131 VanDerWaalsContact O-CD2 3.27Å; E129-H131 PolarHBondContact O-N 3.22Å; E129-L139 HydrophobicContact CB-CD1 3.77Å; E129-I141 HydrophobicContact CB-CG1 4.36Å; E129-I141 HydrophobicContact CG-CG1 4.48Å
130	L	93.4	Very high	90.9	Very high	19 Å²	19	59.7 Å²	59.7	10%	0.099	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	110.5	173.6	-176.1	67.8	0	0	0	109.9	L12 I13 L101 I126 R128 A137 T138 L139	L12-L130 HydrophobicContact CB-CD2 3.97Å; L12-L130 HydrophobicContact CD1-CD1 4.38Å; L12-L130 HydrophobicContact CD1-CD2 4.23Å; L12-L130 HydrophobicContact CD1-CG 3.99Å; I13-L130 HydrophobicContact CG1-CD2 3.6Å; L101-L130 HydrophobicContact CD1-CD1 4.15Å; I126-L130 VanDerWaalsContact O-CB 3.3Å; I126-L130 WeakPolarHBondContact O-CB 3.2Å; I126-L130 PolarHBondContact O-N 3.3Å; R128-L130 VanDerWaalsContact C-N 3.27Å; L130-A137 HydrophobicContact CD1-CB 4.5Å; L130-T138 WeakPolarHBondContact CA-O 3.12Å; L130-L139 HydrophobicContact CD1-CB 4.07Å
131	H	91.9	Very high	90.4	Very high	101 Å²	101	60.1 Å²	60.1	47%	0.468	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	145.5	-175.5	-60.9	-55	0	0	0	112.1	R128 E129 A137 T138	R128-H131 PolarHBondContact O-CE1 2.84Å; E129-H131 PolarHBondContact O-CD2 2.92Å; E129-H131 VanDerWaalsContact O-CD2 3.27Å; E129-H131 PolarHBondContact O-N 3.22Å; H131-A137 CarbonylContact O-C 3.5Å; H131-A137 WeakPolarHBondContact O-CA 3.48Å; H131-T138 PolarHBondContact N-O 2.92Å; H131-T138 PolarHBondContact O-N 3.07Å
132	Y	90.5	Very high	89.5	Confident	135 Å²	135	59.7 Å²	59.7	53%	0.529	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.6	170.1	173.3	-104.6	0	0	0	109.7	L12 G135 L154	L12-Y132 HydrophobicContact CD2-CD2 4.34Å; Y132-G135 PolarHBondContact OH-N 3.05Å; Y132-L154 HydrophobicContact CD2-CD1 3.64Å; Y132-L154 HydrophobicContact CE2-CD1 3.82Å
133	H	86.5	Confident	87.9	Confident	133 Å²	133	61.1 Å²	61.1	62%	0.616	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.2	119.9	173.3	-167.6	80.3	0	0	0	111	G135 V136	H133-G135 PolarHBondContact O-N 2.8Å; H133-V136 PolarHBondContact N-O 3.36Å; H133-V136 WeakPolarHBondContact O-CB 3.45Å; H133-V136 PolarHBondContact O-N 2.67Å
134	S	86.1	Confident	85.7	Confident	96 Å²	96	66.7 Å²	66.7	67%	0.671	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	48.4	171.5	-57.7	0	0	0	0	114.2	V136	S134-V136 VanDerWaalsContact C-N 3.31Å; S134-V136 PolarHBondContact O-N 3.37Å
135	G	85.5	Confident	83.9	Confident	6 Å²	6	66 Å²	66	6%	0.062	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	3.1	-179.8	0	0	0	0	0	114.9	Y132 H133 Q153 L154	Y132-G135 PolarHBondContact OH-N 3.05Å; H133-G135 PolarHBondContact O-N 2.8Å; G135-Q153 PolarHBondContact O-NE2 2.96Å; G135-Q153 VanDerWaalsContact O-NE2 3.11Å; G135-L154 WeakPolarHBondContact O-CB 3.4Å; G135-L154 PolarHBondContact O-N 3.4Å
136	V	90	Very high	82.5	Confident	30 Å²	30	67.6 Å²	67.6	18%	0.182	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130.7	-179.5	-172.9	0	0	0	0	110.1	H133 S134 T138 S151 I152	H133-V136 PolarHBondContact N-O 3.36Å; H133-V136 WeakPolarHBondContact O-CB 3.45Å; H133-V136 PolarHBondContact O-N 2.67Å; S134-V136 VanDerWaalsContact C-N 3.31Å; S134-V136 PolarHBondContact O-N 3.37Å; V136-T138 HydrophobicContact CG1-CG2 3.79Å; V136-S151 WeakPolarHBondContact CG1-OG 3.27Å; V136-I152 WeakPolarHBondContact CA-O 3.21Å; V136-I152 WeakPolarHBondContact CG1-O 3.35Å
137	A	92.6	Very high	81.4	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	122.8	165.5	0	0	0	0	0	109.2	L12 L101 L130 H131 S151 I152 L154	L12-A137 HydrophobicContact CD1-CB 3.67Å; L101-A137 HydrophobicContact CD1-CB 4.1Å; L101-A137 HydrophobicContact CD2-CB 4.1Å; L130-A137 HydrophobicContact CD1-CB 4.5Å; H131-A137 CarbonylContact O-C 3.5Å; H131-A137 WeakPolarHBondContact O-CA 3.48Å; A137-S151 CarbonylContact O-C 3.58Å; A137-S151 WeakPolarHBondContact O-CA 3.48Å; A137-I152 PolarHBondContact N-O 2.77Å; A137-I152 PolarHBondContact O-N 3.38Å; A137-L154 HydrophobicContact CB-CD1 4.1Å; A137-L154 HydrophobicContact CB-CD2 3.9Å; A137-L154 HydrophobicContact CB-CG 4.1Å
138	T	92.2	Very high	80.7	Confident	35 Å²	35	70.4 Å²	70.4	22%	0.215	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.3	178.4	61.3	0	0	0	0	110.8	L130 H131 V136 L150	L130-T138 WeakPolarHBondContact CA-O 3.12Å; H131-T138 PolarHBondContact N-O 2.92Å; H131-T138 PolarHBondContact O-N 3.07Å; V136-T138 HydrophobicContact CG1-CG2 3.79Å; T138-L150 CarbonylContact C-O 3.49Å; T138-L150 WeakPolarHBondContact CA-O 3.27Å
139	L	91.1	Very high	80.4	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.005	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	121	172.5	167.3	73.4	0	0	0	107	L108 I126 E129 L130 I141 K149 L150	L108-L139 HydrophobicContact CD2-CD2 3.78Å; I126-L139 HydrophobicContact CG2-CD1 4.25Å; I126-L139 HydrophobicContact CG2-CD2 3.92Å; I126-L139 WeakPolarHBondContact O-CD1 3.4Å; E129-L139 HydrophobicContact CB-CD1 3.77Å; L130-L139 HydrophobicContact CD1-CB 4.07Å; L139-I141 HydrophobicContact CD1-CD1 3.98Å; L139-I141 HydrophobicContact CD1-CG1 3.87Å; L139-I141 HydrophobicContact CD2-CD1 4.48Å; L139-I141 HydrophobicContact CG-CD1 4.39Å; L139-I141 HydrophobicContact CG-CG1 4.3Å; L139-K149 CarbonylContact O-C 3.59Å; L139-K149 WeakPolarHBondContact O-CA 3.36Å; L139-L150 HydrophobicContact CB-CB 4.13Å; L139-L150 HydrophobicContact CB-CD2 4.39Å; L139-L150 HydrophobicContact CD2-CB 4.46Å; L139-L150 PolarHBondContact N-O 2.84Å; L139-L150 PolarHBondContact O-N 3.45Å
140	N	86	Confident	80.2	Confident	75 Å²	75	69.5 Å²	69.5	40%	0.401	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	90	-178.4	-67.7	-50.5	0	0	0	109.8	K149	N140-K149 WeakPolarHBondContact OD1-CD 3.45Å; N140-K149 WeakPolarHBondContact OD1-CE 3.19Å; N140-K149 VanDerWaalsContact OD1-CG 3.28Å; N140-K149 WeakPolarHBondContact OD1-CG 3.14Å
141	I	82.9	Confident	79.9	Confident	26 Å²	26	72.5 Å²	72.5	13%	0.133	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	109.8	175.3	-58.9	173.3	0	0	0	107.6	I126 E129 L139 S147 T148	I126-I141 HydrophobicContact CB-CD1 4.45Å; I126-I141 HydrophobicContact CG1-CD1 3.52Å; E129-I141 HydrophobicContact CB-CG1 4.36Å; E129-I141 HydrophobicContact CG-CG1 4.48Å; L139-I141 HydrophobicContact CD1-CD1 3.98Å; L139-I141 HydrophobicContact CD1-CG1 3.87Å; L139-I141 HydrophobicContact CD2-CD1 4.48Å; L139-I141 HydrophobicContact CG-CD1 4.39Å; L139-I141 HydrophobicContact CG-CG1 4.3Å; I141-S147 WeakPolarHBondContact O-CA 3.45Å; I141-T148 PolarHBondContact N-O 3.14Å; I141-T148 PolarHBondContact O-N 3.01Å; I141-T148 VanDerWaalsContact O-N 3.15Å
142	S	71.3	Confident	79.7	Confident	105 Å²	105	68.7 Å²	68.7	73%	0.734	40%	0.397	S	S	*	.			trans	-93.2	-1.6	-176.9	-56.8	0	0	0	0	113.7	P144	S142-P144 WeakPolarHBondContact O-CD 3.47Å
143	S	59.4	Low	79.5	Confident	85 Å²	85	65.7 Å²	65.7	59%	0.594	39%	0.388	S	S	*	.			trans	-75.5	119.7	-177.8	-62.6	0	0	0	0	111.1
144	P	47.7	Very low	79.5	Confident	119 Å²	119	59.8 Å²	59.8	77%	0.773	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	150.6	174.2	-11.9	27.1	0	0	0	110.9	S142	S142-P144 WeakPolarHBondContact O-CD 3.47Å
145	P	55.2	Low	79.2	Confident	115 Å²	115	56.7 Å²	56.7	75%	0.747	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	cis	-86.8	-13	15.1	30.9	-33.3	0	0	0	116
146	N	61.5	Low	78.6	Confident	74 Å²	74	61.2 Å²	61.2	40%	0.396	36%	0.358	S	S	.	.			trans	-111.5	85.6	-170	-63.3	-8.9	0	0	0	111.5	E112 T148	E112-N146 PolarHBondContact OE2-ND2 3.16Å; N146-T148 PolarHBondContact O-N 2.73Å; N146-T148 PolarHBondContact O-OG1 3.41Å
147	S	70.1	Confident	77.5	Confident	71 Å²	71	62 Å²	62	50%	0.497	37%	0.367	S	S	.	.			trans	-67.3	100.8	170.8	61.6	0	0	0	0	109.7	I141	I141-S147 WeakPolarHBondContact O-CA 3.45Å
148	T	78.7	Confident	76.2	Confident	31 Å²	31	66.5 Å²	66.5	19%	0.19	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	119	179.5	-55.7	0	0	0	0	109.2	L108 I141 N146	L108-T148 HydrophobicContact CD1-CG2 3.74Å; L108-T148 HydrophobicContact CD2-CG2 3.98Å; I141-T148 PolarHBondContact N-O 3.14Å; I141-T148 PolarHBondContact O-N 3.01Å; I141-T148 VanDerWaalsContact O-N 3.15Å; N146-T148 PolarHBondContact O-N 2.73Å; N146-T148 PolarHBondContact O-OG1 3.41Å
149	K	84.4	Confident	75.1	Confident	170 Å²	170	67.8 Å²	67.8	74%	0.739	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.1	174.2	178.8	163.5	-173.4	-175.2	0	109.9	L139 N140	L139-K149 CarbonylContact O-C 3.59Å; L139-K149 WeakPolarHBondContact O-CA 3.36Å; N140-K149 WeakPolarHBondContact OD1-CD 3.45Å; N140-K149 WeakPolarHBondContact OD1-CE 3.19Å; N140-K149 VanDerWaalsContact OD1-CG 3.28Å; N140-K149 WeakPolarHBondContact OD1-CG 3.14Å
150	L	86.9	Confident	74	Confident	32 Å²	32	68.6 Å²	68.6	17%	0.168	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.4	176.8	179.7	113.5	0	0	0	108.8	L101 T138 L139 I152	L101-L150 HydrophobicContact CD1-CD2 4.06Å; T138-L150 CarbonylContact C-O 3.49Å; T138-L150 WeakPolarHBondContact CA-O 3.27Å; L139-L150 HydrophobicContact CB-CB 4.13Å; L139-L150 HydrophobicContact CB-CD2 4.39Å; L139-L150 HydrophobicContact CD2-CB 4.46Å; L139-L150 PolarHBondContact N-O 2.84Å; L139-L150 PolarHBondContact O-N 3.45Å; L150-I152 HydrophobicContact CD1-CD1 4.05Å; L150-I152 HydrophobicContact CD1-CG1 4.4Å; L150-I152 HydrophobicContact CD2-CD1 3.71Å; L150-I152 HydrophobicContact CD2-CG1 4.01Å; L150-I152 HydrophobicContact CG-CD1 4.01Å; L150-I152 HydrophobicContact CG-CG1 4.03Å
151	S	87.8	Confident	73.3	Confident	82 Å²	82	69.2 Å²	69.2	57%	0.573	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.1	114.4	176.1	-178.1	0	0	0	0	108.2	V136 A137	V136-S151 WeakPolarHBondContact CG1-OG 3.27Å; A137-S151 CarbonylContact O-C 3.58Å; A137-S151 WeakPolarHBondContact O-CA 3.48Å
152	I	87	Confident	73	Confident	21 Å²	21	68.9 Å²	68.9	11%	0.108	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	125.3	-176.2	-60.9	176.9	0	0	0	108.9	E100 L101 S104 V136 A137 L150 L154	E100-I152 HydrophobicContact CB-CG2 4.02Å; L101-I152 HydrophobicContact CB-CD1 4.18Å; L101-I152 HydrophobicContact CD1-CD1 3.98Å; S104-I152 VanDerWaalsContact OG-CD1 3.29Å; S104-I152 WeakPolarHBondContact OG-CD1 3.23Å; V136-I152 WeakPolarHBondContact CA-O 3.21Å; V136-I152 WeakPolarHBondContact CG1-O 3.35Å; A137-I152 PolarHBondContact N-O 2.77Å; A137-I152 PolarHBondContact O-N 3.38Å; L150-I152 HydrophobicContact CD1-CD1 4.05Å; L150-I152 HydrophobicContact CD1-CG1 4.4Å; L150-I152 HydrophobicContact CD2-CD1 3.71Å; L150-I152 HydrophobicContact CD2-CG1 4.01Å; L150-I152 HydrophobicContact CG-CD1 4.01Å; L150-I152 HydrophobicContact CG-CG1 4.03Å; I152-L154 HydrophobicContact CG2-CD2 4.37Å; I152-L154 PolarHBondContact O-N 2.96Å
153	Q	85.6	Confident	73.6	Confident	73 Å²	73	64.9 Å²	64.9	34%	0.341	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	122.7	170.2	-174.7	65.9	46.7	0	0	109.2	G135 L467	G135-Q153 PolarHBondContact O-NE2 2.96Å; G135-Q153 VanDerWaalsContact O-NE2 3.11Å; Q153-L467 HydrophobicContact CB-CD1 4.28Å; Q153-L467 HydrophobicContact CB-CD2 3.65Å; Q153-L467 HydrophobicContact CG-CD2 4.18Å
154	L	87.7	Confident	74.9	Confident	9 Å²	9	63 Å²	63	5%	0.047	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-86.8	146.6	178.8	-58	-177.2	0	0	0	110.9	L12 Y98 L101 Y132 G135 A137 I152	L12-L154 HydrophobicContact CD2-CD1 3.65Å; Y98-L154 HydrophobicContact CD1-CD2 4.38Å; Y98-L154 HydrophobicContact CD2-CD1 4.04Å; Y98-L154 HydrophobicContact CD2-CD2 4Å; Y98-L154 HydrophobicContact CE1-CB 4.34Å; Y98-L154 HydrophobicContact CE2-CD1 3.79Å; Y98-L154 HydrophobicContact CG-CD2 3.94Å; L101-L154 HydrophobicContact CB-CD2 4.41Å; L101-L154 HydrophobicContact CD2-CD2 4.33Å; Y132-L154 HydrophobicContact CD2-CD1 3.64Å; Y132-L154 HydrophobicContact CE2-CD1 3.82Å; G135-L154 WeakPolarHBondContact O-CB 3.4Å; G135-L154 PolarHBondContact O-N 3.4Å; A137-L154 HydrophobicContact CB-CD1 4.1Å; A137-L154 HydrophobicContact CB-CD2 3.9Å; A137-L154 HydrophobicContact CB-CG 4.1Å; I152-L154 HydrophobicContact CG2-CD2 4.37Å; I152-L154 PolarHBondContact O-N 2.96Å
155	P	79.7	Confident	76.9	Confident	31 Å²	31	61 Å²	61	20%	0.201	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-69.1	130.1	178	26.5	-34.2	0	0	0	113.3	Y98 F161	Y98-P155 HydrophobicContact CD1-CG 3.47Å; Y98-P155 VanDerWaalsContact CD1-CG 3.47Å; Y98-P155 HydrophobicContact CE1-CG 3.7Å; P155-F161 VanDerWaalsContact C-CZ 3.42Å; P155-F161 VanDerWaalsContact CA-CZ 3.48Å; P155-F161 HydrophobicContact CB-CD1 3.1Å; P155-F161 HydrophobicContact CB-CD2 3.93Å; P155-F161 HydrophobicContact CB-CE1 2.91Å; P155-F161 HydrophobicContact CB-CE2 3.72Å; P155-F161 HydrophobicContact CB-CG 3.65Å; P155-F161 HydrophobicContact CB-CZ 3.23Å; P155-F161 HydrophobicContact CG-CD1 4.27Å; P155-F161 HydrophobicContact CG-CE1 4.36Å
156	E	72.6	Confident	78.8	Confident	100 Å²	100	56.1 Å²	56.1	47%	0.467	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-92.5	132.4	172.6	-63.9	178.5	-172.5	0	0	114	Q158 F159 F161	E156-Q158 PolarHBondContact O-N 2.85Å; E156-F159 HydrophobicContact CB-CD2 3.92Å; E156-F159 HydrophobicContact CB-CE2 3.97Å; E156-F159 PolarHBondContact O-N 3.24Å; E156-F159 WeakPolarHBondContact OE2-CE2 3.14Å; E156-F161 VanDerWaalsContact C-CE2 3.47Å; E156-F161 VanDerWaalsContact C-CZ 3.43Å; E156-F161 WeakPolarHBondContact O-CE2 3.5Å; E156-F161 WeakPolarHBondContact O-CZ 3.42Å
157	A	67.5	Low	80.3	Confident	46 Å²	46	52.6 Å²	52.6	38%	0.38	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-39.6	-27.5	-173.4	0	0	0	0	0	119.3	W3	W3-A157 HydrophobicContact CD2-CB 3.59Å; W3-A157 HydrophobicContact CE3-CB 3.56Å; W3-A157 HydrophobicContact CG-CB 4.39Å; W3-A157 HydrophobicContact CH2-CB 3.61Å; W3-A157 HydrophobicContact CZ2-CB 3.6Å; W3-A157 HydrophobicContact CZ3-CB 3.59Å
158	Q	65.2	Low	81.4	Confident	95 Å²	95	50.2 Å²	50.2	44%	0.444	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-14.1	-176.4	-61.7	171	10.5	0	0	114.5	E156 Y214 D420 D421	E156-Q158 PolarHBondContact O-N 2.85Å; Q158-Y214 PolarHBondContact O-OH 3.09Å; Q158-D420 HydrophobicContact CB-CB 4.48Å; Q158-D420 VanDerWaalsContact O-CB 3.28Å; Q158-D420 WeakPolarHBondContact O-CB 3.37Å; Q158-D421 PolarHBondContact O-N 3.31Å
159	F	69.4	Low	82.2	Confident	63 Å²	63	49.8 Å²	49.8	28%	0.276	25%	0.247	S	C	.	.	S	Bend	trans	-101.9	151.4	-175.9	-55.3	-71	0	0	0	113.5	E156 F161 D421	E156-F159 HydrophobicContact CB-CD2 3.92Å; E156-F159 HydrophobicContact CB-CE2 3.97Å; E156-F159 PolarHBondContact O-N 3.24Å; E156-F159 WeakPolarHBondContact OE2-CE2 3.14Å; F159-F161 HydrophobicContact CB-CE1 3.85Å; F159-F161 HydrophobicContact CB-CE2 4.33Å; F159-F161 HydrophobicContact CB-CZ 3.62Å; F159-F161 HydrophobicContact CD2-CZ 4.28Å; F159-F161 HydrophobicContact CG-CZ 4.47Å; F159-F161 WeakPolarHBondContact O-CD2 3.49Å; F159-F161 WeakPolarHBondContact O-CE2 3.3Å; F159-F161 PolarHBondContact O-N 3.42Å; F159-F161 VanDerWaalsContact O-N 3.12Å; F159-D421 VanDerWaalsContact CA-OD2 3.28Å; F159-D421 WeakPolarHBondContact CA-OD2 3.18Å; F159-D421 WeakPolarHBondContact CB-OD2 3.47Å; F159-D421 WeakPolarHBondContact CD1-OD1 3.41Å
160	Q	68.1	Low	82.7	Confident	18 Å²	18	41.8 Å²	41.8	8%	0.084	21%	0.212	C	C	.	.			trans	-66.6	110.6	169	-174.6	-178.3	23.5	0	0	109	V162 Y214 L322 D421	Q160-V162 HydrophobicContact CG-CG2 3.98Å; Q160-Y214 HydrophobicContact CB-CD1 3.61Å; Q160-Y214 HydrophobicContact CB-CD2 4.4Å; Q160-Y214 HydrophobicContact CB-CE1 3.78Å; Q160-Y214 HydrophobicContact CB-CG 3.97Å; Q160-Y214 HydrophobicContact CG-CD1 3.64Å; Q160-Y214 HydrophobicContact CG-CD2 4.45Å; Q160-Y214 HydrophobicContact CG-CE1 4.34Å; Q160-Y214 HydrophobicContact CG-CG 3.73Å; Q160-L322 HydrophobicContact CB-CD2 4.3Å; Q160-D421 PolarHBondContact N-OD2 2.91Å
161	F	71.3	Confident	83	Confident	87 Å²	87	40.8 Å²	40.8	38%	0.382	21%	0.207	S	C	.	.			trans	-88.2	117.3	178.2	-67.5	-56.1	0	0	0	113.4	P155 E156 F159	P155-F161 VanDerWaalsContact C-CZ 3.42Å; P155-F161 VanDerWaalsContact CA-CZ 3.48Å; P155-F161 HydrophobicContact CB-CD1 3.1Å; P155-F161 HydrophobicContact CB-CD2 3.93Å; P155-F161 HydrophobicContact CB-CE1 2.91Å; P155-F161 HydrophobicContact CB-CE2 3.72Å; P155-F161 HydrophobicContact CB-CG 3.65Å; P155-F161 HydrophobicContact CB-CZ 3.23Å; P155-F161 HydrophobicContact CG-CD1 4.27Å; P155-F161 HydrophobicContact CG-CE1 4.36Å; E156-F161 VanDerWaalsContact C-CE2 3.47Å; E156-F161 VanDerWaalsContact C-CZ 3.43Å; E156-F161 WeakPolarHBondContact O-CE2 3.5Å; E156-F161 WeakPolarHBondContact O-CZ 3.42Å; F159-F161 HydrophobicContact CB-CE1 3.85Å; F159-F161 HydrophobicContact CB-CE2 4.33Å; F159-F161 HydrophobicContact CB-CZ 3.62Å; F159-F161 HydrophobicContact CD2-CZ 4.28Å; F159-F161 HydrophobicContact CG-CZ 4.47Å; F159-F161 WeakPolarHBondContact O-CD2 3.49Å; F159-F161 WeakPolarHBondContact O-CE2 3.3Å; F159-F161 PolarHBondContact O-N 3.42Å; F159-F161 VanDerWaalsContact O-N 3.12Å
162	V	75.8	Confident	83.2	Confident	20 Å²	20	38 Å²	38	12%	0.121	19%	0.185	C	C	.	.			trans	-124.3	96.9	-179.7	-172.9	0	0	0	0	107.9	Q160 H164 I167 A314 L315 A318	Q160-V162 HydrophobicContact CG-CG2 3.98Å; V162-H164 PolarHBondContact O-N 3.48Å; V162-I167 HydrophobicContact CG1-CB 4.11Å; V162-I167 HydrophobicContact CG1-CD1 4.17Å; V162-I167 HydrophobicContact CG1-CG1 3.18Å; V162-A314 HydrophobicContact CG1-CB 3.93Å; V162-L315 HydrophobicContact CG2-CD2 4.43Å; V162-A318 HydrophobicContact CG1-CB 4.18Å; V162-A318 HydrophobicContact CG2-CB 3.7Å
163	F	84.3	Confident	83.6	Confident	20 Å²	20	37.2 Å²	37.2	9%	0.088	18%	0.182	C	C	.	.			trans	-70.1	108.6	172.1	-176.6	-123.2	0	0	0	108.8	F99 E100 H103 R165 H166 I167	F99-F163 HydrophobicContact CB-CB 4.21Å; F99-F163 HydrophobicContact CB-CD1 3.64Å; F99-F163 HydrophobicContact CB-CD2 3.64Å; F99-F163 HydrophobicContact CB-CE1 3.73Å; F99-F163 HydrophobicContact CB-CE2 3.8Å; F99-F163 HydrophobicContact CB-CG 3.55Å; F99-F163 HydrophobicContact CB-CZ 3.82Å; F99-F163 HydrophobicContact CD2-CB 3.98Å; F99-F163 HydrophobicContact CD2-CD1 4.48Å; F99-F163 HydrophobicContact CD2-CG 4.24Å; F99-F163 HydrophobicContact CG-CD1 4.28Å; F99-F163 HydrophobicContact CG-CG 4.28Å; E100-F163 HydrophobicContact CB-CE2 4.23Å; E100-F163 HydrophobicContact CG-CD2 4.1Å; E100-F163 HydrophobicContact CG-CE2 3.77Å; E100-F163 VanDerWaalsContact N-CE2 3.33Å; E100-F163 VanDerWaalsContact OE1-CD2 3.32Å; E100-F163 WeakPolarHBondContact OE1-CD2 3.16Å; H103-F163 HydrophobicContact CB-CZ 4.37Å; F163-R165 VanDerWaalsContact C-N 3.27Å; F163-R165 HydrophobicContact CD1-CB 4.11Å; F163-R165 HydrophobicContact CE1-CB 3.63Å; F163-R165 HydrophobicContact CE1-CG 4.44Å; F163-R165 HydrophobicContact CZ-CB 3.93Å; F163-R165 PolarHBondContact O-N 2.93Å; F163-H166 HydrophobicContact CD1-CB 4.23Å; F163-H166 AromaticContact CD1-CD2 3.65Å; F163-H166 AromaticContact CD1-CE1 3.41Å; F163-H166 VanDerWaalsContact CD1-CE1 3.41Å; F163-H166 WeakPolarHBondContact CD1-CE1 3.25Å; F163-H166 AromaticContact CD1-CG 3.55Å; F163-H166 AromaticContact CD1-ND1 3.42Å; F163-H166 WeakPolarHBondContact CD1-ND1 3.5Å; F163-H166 AromaticContact CD1-NE2 3.56Å; F163-H166 AromaticContact CE1-CD2 3.95Å; F163-H166 AromaticContact CE1-CE1 3.91Å; F163-H166 AromaticContact CE1-NE2 3.69Å; F163-H166 PolarHBondContact O-N 2.7Å; F163-I167 PolarHBondContact O-N 3.28Å
164	H	86.3	Confident	84	Confident	47 Å²	47	33.9 Å²	33.9	22%	0.218	17%	0.166	C	C	.	.	H	α-helix	trans	-57.5	-38.7	-165.6	61.9	-81	0	0	0	112.7	E100 V162 H166 I167 L168 A314	E100-H164 IonicContact OE1-CE1 2.66Å; E100-H164 IonicContact OE1-ND1 2.82Å; E100-H164 PolarHBondContact OE1-ND1 3.3Å; V162-H164 PolarHBondContact O-N 3.48Å; H164-H166 PolarHBondContact O-N 3.34Å; H164-I167 PolarHBondContact O-N 2.89Å; H164-L168 WeakPolarHBondContact O-CB 3.35Å; H164-L168 WeakPolarHBondContact O-CG 3.39Å; H164-L168 PolarHBondContact O-N 2.91Å; H164-A314 HydrophobicContact CB-CB 3.61Å
165	R	90.5	Very high	84.3	Confident	76 Å²	76	34.3 Å²	34.3	29%	0.287	17%	0.17	S	C	.	.	H	α-helix	trans	-62	-40.3	178.3	-173.9	173	175.3	149.9	-10	112.9	E63 H103 F163 E169	E63-R165 IonicContact OE2-CZ 3.01Å; E63-R165 IonicContact OE2-NH1 4Å; E63-R165 IonicContact OE2-NH2 3.81Å; E63-R165 PolarHBondContact OE2-NH2 3.16Å; H103-R165 PolarHBondContact CE1-NH1 2.68Å; H103-R165 PolarHBondContact NE2-NH1 3.18Å; F163-R165 VanDerWaalsContact C-N 3.27Å; F163-R165 HydrophobicContact CD1-CB 4.11Å; F163-R165 HydrophobicContact CE1-CB 3.63Å; F163-R165 HydrophobicContact CE1-CG 4.44Å; F163-R165 HydrophobicContact CZ-CB 3.93Å; F163-R165 PolarHBondContact O-N 2.93Å; R165-E169 WeakPolarHBondContact O-CB 3.42Å; R165-E169 PolarHBondContact O-N 3.36Å
166	H	94.2	Very high	84.9	Confident	13 Å²	13	34.3 Å²	34.3	6%	0.06	17%	0.168	C	C	.	.	H	α-helix	trans	-66.4	-47.2	177.1	-67.5	158.5	0	0	0	111.5	F99 F163 H164 L168 E169 Y170 S204 L207 A208	F99-H166 AromaticContact CG-CE1 4Å; F163-H166 HydrophobicContact CD1-CB 4.23Å; F163-H166 AromaticContact CD1-CD2 3.65Å; F163-H166 AromaticContact CD1-CE1 3.41Å; F163-H166 VanDerWaalsContact CD1-CE1 3.41Å; F163-H166 WeakPolarHBondContact CD1-CE1 3.25Å; F163-H166 AromaticContact CD1-CG 3.55Å; F163-H166 AromaticContact CD1-ND1 3.42Å; F163-H166 WeakPolarHBondContact CD1-ND1 3.5Å; F163-H166 AromaticContact CD1-NE2 3.56Å; F163-H166 AromaticContact CE1-CD2 3.95Å; F163-H166 AromaticContact CE1-CE1 3.91Å; F163-H166 AromaticContact CE1-NE2 3.69Å; F163-H166 PolarHBondContact O-N 2.7Å; H164-H166 PolarHBondContact O-N 3.34Å; H166-L168 VanDerWaalsContact C-N 3.34Å; H166-L168 PolarHBondContact O-N 3.31Å; H166-E169 PolarHBondContact O-N 3.46Å; H166-Y170 WeakPolarHBondContact O-CB 3.35Å; H166-Y170 PolarHBondContact O-N 3.26Å; H166-S204 PolarHBondContact CD2-OG 3.49Å; H166-L207 WeakPolarHBondContact CE1-CD1 3.17Å; H166-A208 HydrophobicContact CB-CB 4.25Å
167	I	94.1	Very high	85.9	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.3	-42.7	177.8	-75.1	-50.8	0	0	0	111.8	V162 F163 H164 Y170 Y171 W179 A208 L212 A314 L317	V162-I167 HydrophobicContact CG1-CB 4.11Å; V162-I167 HydrophobicContact CG1-CD1 4.17Å; V162-I167 HydrophobicContact CG1-CG1 3.18Å; F163-I167 PolarHBondContact O-N 3.28Å; H164-I167 PolarHBondContact O-N 2.89Å; I167-Y170 WeakPolarHBondContact O-CB 3.02Å; I167-Y170 PolarHBondContact O-N 2.88Å; I167-Y171 VanDerWaalsContact O-CB 3.3Å; I167-Y171 WeakPolarHBondContact O-CB 3.39Å; I167-Y171 PolarHBondContact O-N 3.36Å; I167-W179 HydrophobicContact CG2-CH2 4.26Å; I167-A208 HydrophobicContact CD1-CB 3.71Å; I167-L212 HydrophobicContact CD1-CD2 4.19Å; I167-A314 HydrophobicContact CB-CB 4.05Å; I167-A314 HydrophobicContact CG2-CB 3.92Å; I167-L317 HydrophobicContact CG2-CB 3.79Å; I167-L317 HydrophobicContact CG2-CD1 3.64Å; I167-L317 HydrophobicContact CG2-CG 4.37Å
168	L	92.9	Very high	87.2	Confident	20 Å²	20	28.4 Å²	28.4	11%	0.105	14%	0.138	C	C	.	.	H	α-helix	trans	-68.6	-39.4	-179.6	-68.2	179.1	0	0	0	111.8	H164 H166 Y170 Y171 N172 A310 A313 L317 L578	H164-L168 WeakPolarHBondContact O-CB 3.35Å; H164-L168 WeakPolarHBondContact O-CG 3.39Å; H164-L168 PolarHBondContact O-N 2.91Å; H166-L168 VanDerWaalsContact C-N 3.34Å; H166-L168 PolarHBondContact O-N 3.31Å; L168-Y170 VanDerWaalsContact C-N 3.33Å; L168-Y171 PolarHBondContact O-N 3.11Å; L168-N172 WeakPolarHBondContact O-CB 3.02Å; L168-N172 PolarHBondContact O-N 3.05Å; L168-N172 PolarHBondContact O-ND2 2.97Å; L168-N172 PolarHBondContact O-OD1 3.32Å; L168-A310 HydrophobicContact CD1-CB 3.73Å; L168-A313 HydrophobicContact CD2-CB 4.14Å; L168-L317 HydrophobicContact CD2-CD1 4.02Å; L168-L578 HydrophobicContact CD1-CD2 3.75Å; L168-L578 HydrophobicContact CD2-CD2 3.75Å; L168-L578 HydrophobicContact CG-CD2 4.37Å
169	E	94.2	Very high	88.6	Confident	23 Å²	23	24.2 Å²	24.2	11%	0.107	12%	0.118	C	C	.	.	H	α-helix	trans	-61.8	-42.4	171.6	179.8	62.6	-160	0	0	111.2	R165 H166 Y171 N172 T173 R198 R201	R165-E169 WeakPolarHBondContact O-CB 3.42Å; R165-E169 PolarHBondContact O-N 3.36Å; H166-E169 PolarHBondContact O-N 3.46Å; E169-Y171 VanDerWaalsContact C-N 3.27Å; E169-Y171 PolarHBondContact O-N 2.82Å; E169-N172 PolarHBondContact O-N 3.44Å; E169-T173 WeakPolarHBondContact O-CB 2.94Å; E169-T173 PolarHBondContact O-N 2.9Å; E169-T173 PolarHBondContact O-OG1 3.14Å; E169-T173 PolarHBondContact OE1-OG1 3.17Å; E169-R198 IonicContact OE1-CZ 3.52Å; E169-R198 IonicContact OE1-NH2 3.13Å; E169-R198 PolarHBondContact OE1-NH2 3.06Å; E169-R198 IonicContact OE2-NH2 3.57Å; E169-R198 PolarHBondContact OE2-NH2 3.37Å; E169-R201 WeakPolarHBondContact OE1-CB 3.48Å; E169-R201 WeakPolarHBondContact OE1-CG 3.42Å; E169-R201 IonicContact OE1-NE 2.92Å; E169-R201 PolarHBondContact OE1-NE 2.83Å
170	Y	95.7	Very high	89.9	Confident	1 Å²	1	21.3 Å²	21.3	0%	0.004	11%	0.106	C	C	.	.	H	α-helix	trans	-61.1	-37.7	175.7	-169.9	-135.8	0	0	0	112.1	H166 I167 L168 T173 L174 W179 I182 C205 A208 L212	H166-Y170 WeakPolarHBondContact O-CB 3.35Å; H166-Y170 PolarHBondContact O-N 3.26Å; I167-Y170 WeakPolarHBondContact O-CB 3.02Å; I167-Y170 PolarHBondContact O-N 2.88Å; L168-Y170 VanDerWaalsContact C-N 3.33Å; Y170-T173 PolarHBondContact O-N 3.15Å; Y170-L174 HydrophobicContact CD2-CD1 4.13Å; Y170-L174 HydrophobicContact CE2-CD1 3.49Å; Y170-L174 VanDerWaalsContact CE2-CD1 3.49Å; Y170-L174 HydrophobicContact CE2-CG 4.39Å; Y170-L174 PolarHBondContact O-N 3.18Å; Y170-L174 VanDerWaalsContact O-N 3.07Å; Y170-W179 AromaticContact CD1-CD2 3.61Å; Y170-W179 HydrophobicContact CD1-CD2 3.61Å; Y170-W179 AromaticContact CD1-CE2 3.16Å; Y170-W179 AromaticContact CD1-CE3 3.89Å; Y170-W179 HydrophobicContact CD1-CE3 3.89Å; Y170-W179 HydrophobicContact CD1-CG 4.35Å; Y170-W179 AromaticContact CD1-CH2 3.46Å; Y170-W179 HydrophobicContact CD1-CH2 3.46Å; Y170-W179 VanDerWaalsContact CD1-CH2 3.46Å; Y170-W179 AromaticContact CD1-CZ2 3.07Å; Y170-W179 HydrophobicContact CD1-CZ2 3.07Å; Y170-W179 AromaticContact CD1-CZ3 3.85Å; Y170-W179 HydrophobicContact CD1-CZ3 3.85Å; Y170-W179 AromaticContact CD1-NE1 3.7Å; Y170-W179 HydrophobicContact CE1-CB 4.47Å; Y170-W179 AromaticContact CE1-CD1 3.92Å; Y170-W179 AromaticContact CE1-CD2 3.26Å; Y170-W179 HydrophobicContact CE1-CD2 3.26Å; Y170-W179 AromaticContact CE1-CE2 3.33Å; Y170-W179 AromaticContact CE1-CE3 3.59Å; Y170-W179 HydrophobicContact CE1-CE3 3.59Å; Y170-W179 AromaticContact CE1-CG 3.68Å; Y170-W179 HydrophobicContact CE1-CG 3.68Å; Y170-W179 HydrophobicContact CE1-CH2 4.06Å; Y170-W179 AromaticContact CE1-CZ2 3.73Å; Y170-W179 HydrophobicContact CE1-CZ2 3.73Å; Y170-W179 AromaticContact CE1-CZ3 3.99Å; Y170-W179 HydrophobicContact CE1-CZ3 3.99Å; Y170-W179 AromaticContact CE1-NE1 3.71Å; Y170-W179 AromaticContact CG-CE2 3.76Å; Y170-W179 HydrophobicContact CG-CH2 4.35Å; Y170-W179 AromaticContact CG-CZ2 3.65Å; Y170-W179 HydrophobicContact CG-CZ2 3.65Å; Y170-W179 AromaticContact CG-NE1 3.92Å; Y170-W179 AromaticContact CZ-CD1 3.94Å; Y170-W179 AromaticContact CZ-CG 3.96Å; Y170-W179 PolarHBondContact O-NE1 2.92Å; Y170-I182 HydrophobicContact CE2-CD1 4.3Å; Y170-I182 WeakPolarHBondContact OH-CD1 3.47Å; Y170-C205 HydrophobicContact CD2-CB 3.56Å; Y170-C205 HydrophobicContact CE2-CB 4.09Å; Y170-A208 VanDerWaalsContact CB-CB 3.49Å; Y170-A208 HydrophobicContact CD1-CB 3.72Å; Y170-A208 HydrophobicContact CD2-CB 4.45Å; Y170-A208 HydrophobicContact CG-CB 3.67Å; Y170-L212 HydrophobicContact CE1-CD1 3.97Å
171	Y	93.7	Very high	91.1	Very high	11 Å²	11	21.2 Å²	21.2	4%	0.043	11%	0.106	C	C	.	.	H	α-helix	trans	-75.4	-36.9	-177.6	172	-107.2	0	0	0	112	I167 L168 E169 T173 W179 H296 L317 R576	I167-Y171 VanDerWaalsContact O-CB 3.3Å; I167-Y171 WeakPolarHBondContact O-CB 3.39Å; I167-Y171 PolarHBondContact O-N 3.36Å; L168-Y171 PolarHBondContact O-N 3.11Å; E169-Y171 VanDerWaalsContact C-N 3.27Å; E169-Y171 PolarHBondContact O-N 2.82Å; Y171-T173 PolarHBondContact O-N 3.18Å; Y171-W179 VanDerWaalsContact CA-CZ2 3.46Å; Y171-W179 HydrophobicContact CD2-CZ2 4.48Å; Y171-H296 AromaticContact CZ-ND1 3.74Å; Y171-H296 PolarHBondContact OH-CE1 2.94Å; Y171-H296 PolarHBondContact OH-ND1 3.3Å; Y171-L317 HydrophobicContact CD1-CD1 4.09Å; Y171-L317 HydrophobicContact CD2-CD1 4.07Å; Y171-L317 HydrophobicContact CD2-CD2 3.53Å; Y171-L317 HydrophobicContact CD2-CG 4.46Å; Y171-L317 HydrophobicContact CE2-CD2 3.84Å; Y171-L317 HydrophobicContact CG-CD1 3.68Å; Y171-L317 HydrophobicContact CG-CD2 4.05Å; Y171-R576 WeakPolarHBondContact CE1-O 3.13Å
172	N	92.2	Very high	92.3	Very high	24 Å²	24	17.1 Å²	17.1	13%	0.128	9%	0.088	C	C	.	.	H	α-helix	trans	-72.8	-19.2	173.6	-61	-19.2	0	0	0	112.2	L168 E169 R576 S577 L578	L168-N172 WeakPolarHBondContact O-CB 3.02Å; L168-N172 PolarHBondContact O-N 3.05Å; L168-N172 PolarHBondContact O-ND2 2.97Å; L168-N172 PolarHBondContact O-OD1 3.32Å; E169-N172 PolarHBondContact O-N 3.44Å; N172-R576 PolarHBondContact OD1-O 2.85Å; N172-R576 VanDerWaalsContact OD1-O 3.12Å; N172-S577 VanDerWaalsContact OD1-CA 3.3Å; N172-S577 WeakPolarHBondContact OD1-CA 3.49Å; N172-L578 PolarHBondContact OD1-N 3.41Å
173	T	94.6	Very high	93.3	Very high	5 Å²	5	16.3 Å²	16.3	3%	0.031	8%	0.083	C	C	.	.	H	α-helix	trans	-93.2	-44.9	-173.6	-63.6	0	0	0	0	113.2	E169 Y170 Y171 R201 L265	E169-T173 WeakPolarHBondContact O-CB 2.94Å; E169-T173 PolarHBondContact O-N 2.9Å; E169-T173 PolarHBondContact O-OG1 3.14Å; E169-T173 PolarHBondContact OE1-OG1 3.17Å; Y170-T173 PolarHBondContact O-N 3.15Å; Y171-T173 PolarHBondContact O-N 3.18Å; T173-R201 HydrophobicContact CG2-CG 3.77Å; T173-R201 PolarHBondContact OG1-NE 3.32Å; T173-L265 HydrophobicContact CG2-CB 3.83Å; T173-L265 HydrophobicContact CG2-CD2 3.89Å; T173-L265 HydrophobicContact CG2-CG 4.44Å; T173-L265 VanDerWaalsContact CG2-O 3.23Å; T173-L265 WeakPolarHBondContact CG2-O 3.36Å
174	L	95.1	Very high	93.8	Very high	2 Å²	2	16 Å²	16	1%	0.01	8%	0.082	C	C	.	.	S	Bend	trans	-121.4	150.8	-171.9	-64.8	-177.1	0	0	0	113.2	Y170 N178 I182 V263 L265 D268	Y170-L174 HydrophobicContact CD2-CD1 4.13Å; Y170-L174 HydrophobicContact CE2-CD1 3.49Å; Y170-L174 VanDerWaalsContact CE2-CD1 3.49Å; Y170-L174 HydrophobicContact CE2-CG 4.39Å; Y170-L174 PolarHBondContact O-N 3.18Å; Y170-L174 VanDerWaalsContact O-N 3.07Å; L174-N178 HydrophobicContact CB-CB 4.44Å; L174-I182 HydrophobicContact CD1-CD1 3.33Å; L174-V263 HydrophobicContact CD1-CG1 4.03Å; L174-L265 HydrophobicContact CD1-CD2 3.88Å; L174-L265 HydrophobicContact CD2-CD2 3.99Å; L174-L265 HydrophobicContact CG-CD2 3.99Å; L174-D268 VanDerWaalsContact CA-OD1 3.27Å; L174-D268 WeakPolarHBondContact CA-OD1 3.08Å; L174-D268 HydrophobicContact CD2-CB 4.21Å; L174-D268 VanDerWaalsContact CD2-OD1 3.26Å; L174-D268 WeakPolarHBondContact CD2-OD1 3.45Å
175	S	94	Very high	94.2	Very high	19 Å²	19	14 Å²	14	13%	0.133	7%	0.073	C	C	.	.			trans	-67	153.8	169.1	58.3	0	0	0	0	112.6	G177 N178 W179 D268 R576	S175-G177 PolarHBondContact O-N 3.12Å; S175-N178 PolarHBondContact O-N 2.87Å; S175-N178 PolarHBondContact OG-N 3.24Å; S175-W179 PolarHBondContact O-N 3.4Å; S175-D268 WeakPolarHBondContact CB-OD2 3.37Å; S175-D268 VanDerWaalsContact N-CG 3.33Å; S175-D268 PolarHBondContact N-OD1 3.34Å; S175-D268 PolarHBondContact N-OD2 2.98Å; S175-D268 PolarHBondContact OG-OD1 3.21Å; S175-D268 PolarHBondContact OG-OD2 3.38Å; S175-D268 VanDerWaalsContact OG-OD2 3.14Å; S175-R576 VanDerWaalsContact CA-NH1 3.27Å
176	I	92	Very high	94.5	Very high	30 Å²	30	10.4 Å²	10.4	15%	0.154	6%	0.06	C	C	.	.	H	α-helix	trans	-55.2	-37.6	173.1	-66.2	168.3	0	0	0	110.7	N178 W179 I180 C292 N293	I176-N178 PolarHBondContact O-N 2.95Å; I176-W179 WeakPolarHBondContact O-CB 3.36Å; I176-W179 PolarHBondContact O-N 2.64Å; I176-I180 HydrophobicContact CG2-CD1 4.12Å; I176-I180 VanDerWaalsContact O-CG1 3.32Å; I176-I180 WeakPolarHBondContact O-CG1 3.09Å; I176-I180 PolarHBondContact O-N 3.4Å; I176-I180 VanDerWaalsContact O-N 3.15Å; I176-C292 HydrophobicContact CD1-CB 4.01Å; I176-C292 HydrophobicContact CG1-CB 4.29Å; I176-C292 HydrophobicContact CG2-CB 3.54Å; I176-N293 WeakPolarHBondContact CD1-OD1 3.44Å
177	G	92.1	Very high	94.5	Very high	21 Å²	21	9.8 Å²	9.8	22%	0.216	6%	0.057	C	C	.	.	H	α-helix	trans	-57.6	-48.2	175.7	0	0	0	0	0	112.4	S175 I180 V181	S175-G177 PolarHBondContact O-N 3.12Å; G177-I180 PolarHBondContact O-N 2.95Å; G177-V181 WeakPolarHBondContact O-CG2 3.24Å; G177-V181 PolarHBondContact O-N 3.3Å; G177-V181 VanDerWaalsContact O-N 3.17Å
178	N	94.9	Very high	94.4	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-70.7	-32.5	178.5	-76.5	-23.3	0	0	0	113	L174 S175 I176 I180 V181 I182 D268 V270 S561	L174-N178 HydrophobicContact CB-CB 4.44Å; S175-N178 PolarHBondContact O-N 2.87Å; S175-N178 PolarHBondContact OG-N 3.24Å; I176-N178 PolarHBondContact O-N 2.95Å; N178-I180 VanDerWaalsContact C-N 3.25Å; N178-I180 PolarHBondContact O-N 3.02Å; N178-V181 PolarHBondContact O-N 3.06Å; N178-I182 WeakPolarHBondContact O-CB 3.27Å; N178-I182 WeakPolarHBondContact O-CD1 3.41Å; N178-I182 VanDerWaalsContact O-CG1 3.22Å; N178-I182 WeakPolarHBondContact O-CG1 3.39Å; N178-I182 PolarHBondContact O-N 2.66Å; N178-D268 PolarHBondContact ND2-O 2.93Å; N178-D268 PolarHBondContact ND2-OD1 3.45Å; N178-V270 HydrophobicContact CB-CG2 3.95Å; N178-S561 PolarHBondContact ND2-OG 3.16Å; N178-S561 WeakPolarHBondContact OD1-CA 3.17Å; N178-S561 VanDerWaalsContact OD1-CB 3.29Å; N178-S561 WeakPolarHBondContact OD1-CB 3.3Å; N178-S561 PolarHBondContact OD1-OG 3.46Å
179	W	96.2	Very high	94.5	Very high	7 Å²	7	11.7 Å²	11.7	3%	0.027	7%	0.066	C	C	.	.	H	α-helix	trans	-55.9	-43.9	171.1	-80.5	44	0	0	0	111.7	I167 Y170 Y171 S175 I176 I182 F183 L212 L317 Y321	I167-W179 HydrophobicContact CG2-CH2 4.26Å; Y170-W179 AromaticContact CD1-CD2 3.61Å; Y170-W179 HydrophobicContact CD1-CD2 3.61Å; Y170-W179 AromaticContact CD1-CE2 3.16Å; Y170-W179 AromaticContact CD1-CE3 3.89Å; Y170-W179 HydrophobicContact CD1-CE3 3.89Å; Y170-W179 HydrophobicContact CD1-CG 4.35Å; Y170-W179 AromaticContact CD1-CH2 3.46Å; Y170-W179 HydrophobicContact CD1-CH2 3.46Å; Y170-W179 VanDerWaalsContact CD1-CH2 3.46Å; Y170-W179 AromaticContact CD1-CZ2 3.07Å; Y170-W179 HydrophobicContact CD1-CZ2 3.07Å; Y170-W179 AromaticContact CD1-CZ3 3.85Å; Y170-W179 HydrophobicContact CD1-CZ3 3.85Å; Y170-W179 AromaticContact CD1-NE1 3.7Å; Y170-W179 HydrophobicContact CE1-CB 4.47Å; Y170-W179 AromaticContact CE1-CD1 3.92Å; Y170-W179 AromaticContact CE1-CD2 3.26Å; Y170-W179 HydrophobicContact CE1-CD2 3.26Å; Y170-W179 AromaticContact CE1-CE2 3.33Å; Y170-W179 AromaticContact CE1-CE3 3.59Å; Y170-W179 HydrophobicContact CE1-CE3 3.59Å; Y170-W179 AromaticContact CE1-CG 3.68Å; Y170-W179 HydrophobicContact CE1-CG 3.68Å; Y170-W179 HydrophobicContact CE1-CH2 4.06Å; Y170-W179 AromaticContact CE1-CZ2 3.73Å; Y170-W179 HydrophobicContact CE1-CZ2 3.73Å; Y170-W179 AromaticContact CE1-CZ3 3.99Å; Y170-W179 HydrophobicContact CE1-CZ3 3.99Å; Y170-W179 AromaticContact CE1-NE1 3.71Å; Y170-W179 AromaticContact CG-CE2 3.76Å; Y170-W179 HydrophobicContact CG-CH2 4.35Å; Y170-W179 AromaticContact CG-CZ2 3.65Å; Y170-W179 HydrophobicContact CG-CZ2 3.65Å; Y170-W179 AromaticContact CG-NE1 3.92Å; Y170-W179 AromaticContact CZ-CD1 3.94Å; Y170-W179 AromaticContact CZ-CG 3.96Å; Y170-W179 PolarHBondContact O-NE1 2.92Å; Y171-W179 VanDerWaalsContact CA-CZ2 3.46Å; Y171-W179 HydrophobicContact CD2-CZ2 4.48Å; S175-W179 PolarHBondContact O-N 3.4Å; I176-W179 WeakPolarHBondContact O-CB 3.36Å; I176-W179 PolarHBondContact O-N 2.64Å; W179-I182 PolarHBondContact O-N 2.82Å; W179-F183 WeakPolarHBondContact O-CB 3.43Å; W179-F183 PolarHBondContact O-N 2.73Å; W179-L212 HydrophobicContact CE3-CD1 3.66Å; W179-L212 HydrophobicContact CZ3-CD1 3.76Å; W179-L212 HydrophobicContact CZ3-CD2 4.35Å; W179-L317 HydrophobicContact CH2-CB 4.3Å; W179-Y321 VanDerWaalsContact CB-OH 3.27Å; W179-Y321 WeakPolarHBondContact CB-OH 3.32Å; W179-Y321 AromaticContact CE3-CE2 3.7Å; W179-Y321 HydrophobicContact CE3-CE2 3.7Å; W179-Y321 AromaticContact CE3-CZ 3.85Å; W179-Y321 HydrophobicContact CZ3-CE2 4.05Å
180	I	95.1	Very high	94.5	Very high	3 Å²	3	12.1 Å²	12.1	2%	0.015	7%	0.068	C	C	.	.	H	α-helix	trans	-67.7	-44.2	-179	-64	174.1	0	0	0	110.6	I176 G177 N178 I182 F183 E184 M280 R285 L288 I289	I176-I180 HydrophobicContact CG2-CD1 4.12Å; I176-I180 VanDerWaalsContact O-CG1 3.32Å; I176-I180 WeakPolarHBondContact O-CG1 3.09Å; I176-I180 PolarHBondContact O-N 3.4Å; I176-I180 VanDerWaalsContact O-N 3.15Å; G177-I180 PolarHBondContact O-N 2.95Å; N178-I180 VanDerWaalsContact C-N 3.25Å; N178-I180 PolarHBondContact O-N 3.02Å; I180-I182 VanDerWaalsContact C-N 3.28Å; I180-I182 PolarHBondContact O-N 3.14Å; I180-F183 PolarHBondContact O-N 2.89Å; I180-E184 HydrophobicContact CG2-CG 4.23Å; I180-E184 VanDerWaalsContact CG2-OE1 3.27Å; I180-E184 WeakPolarHBondContact CG2-OE1 3.39Å; I180-E184 WeakPolarHBondContact O-CB 3.12Å; I180-E184 VanDerWaalsContact O-CG 3.23Å; I180-E184 WeakPolarHBondContact O-CG 3.45Å; I180-E184 PolarHBondContact O-N 3.15Å; I180-M280 HydrophobicContact CG2-CE 3.81Å; I180-R285 HydrophobicContact CG2-CG 4.17Å; I180-L288 HydrophobicContact CB-CD2 4.41Å; I180-L288 HydrophobicContact CD1-CB 4.35Å; I180-L288 HydrophobicContact CD1-CD2 3.95Å; I180-L288 HydrophobicContact CD1-CG 3.97Å; I180-L288 HydrophobicContact CG1-CD2 3.63Å; I180-L288 HydrophobicContact CG1-CG 4.12Å; I180-L288 HydrophobicContact CG2-CD2 4.13Å; I180-I289 HydrophobicContact CD1-CB 4.37Å; I180-I289 HydrophobicContact CD1-CD1 4.34Å; I180-I289 HydrophobicContact CD1-CG1 3.33Å
181	V	94.1	Very high	94.5	Very high	16 Å²	16	12.6 Å²	12.6	10%	0.097	7%	0.071	C	C	.	.	H	α-helix	trans	-59.6	-41.2	176.2	175.1	0	0	0	0	111.3	G177 N178 S185 V270 L560	G177-V181 WeakPolarHBondContact O-CG2 3.24Å; G177-V181 PolarHBondContact O-N 3.3Å; G177-V181 VanDerWaalsContact O-N 3.17Å; N178-V181 PolarHBondContact O-N 3.06Å; V181-S185 WeakPolarHBondContact O-CB 3.35Å; V181-S185 PolarHBondContact O-N 3.37Å; V181-S185 PolarHBondContact O-OG 3.3Å; V181-V270 HydrophobicContact CG1-CB 4.24Å; V181-V270 HydrophobicContact CG1-CG1 3.87Å; V181-L560 HydrophobicContact CG1-CB 4.3Å
182	I	96.9	Very high	94.7	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-66.3	-47.9	177.2	-68.4	161.3	0	0	0	110.3	Y170 L174 N178 W179 I180 E184 S185 L186 F194 V263 V270	Y170-I182 HydrophobicContact CE2-CD1 4.3Å; Y170-I182 WeakPolarHBondContact OH-CD1 3.47Å; L174-I182 HydrophobicContact CD1-CD1 3.33Å; N178-I182 WeakPolarHBondContact O-CB 3.27Å; N178-I182 WeakPolarHBondContact O-CD1 3.41Å; N178-I182 VanDerWaalsContact O-CG1 3.22Å; N178-I182 WeakPolarHBondContact O-CG1 3.39Å; N178-I182 PolarHBondContact O-N 2.66Å; W179-I182 PolarHBondContact O-N 2.82Å; I180-I182 VanDerWaalsContact C-N 3.28Å; I180-I182 PolarHBondContact O-N 3.14Å; I182-E184 PolarHBondContact O-N 3.38Å; I182-S185 WeakPolarHBondContact O-CB 3.43Å; I182-S185 PolarHBondContact O-N 2.97Å; I182-S185 VanDerWaalsContact O-N 3.14Å; I182-L186 HydrophobicContact CG2-CD1 3.93Å; I182-L186 HydrophobicContact CG2-CG 4.38Å; I182-L186 WeakPolarHBondContact O-CG 3.28Å; I182-L186 PolarHBondContact O-N 3.26Å; I182-F194 HydrophobicContact CD1-CE1 4.1Å; I182-F194 HydrophobicContact CG2-CE1 4.34Å; I182-F194 HydrophobicContact CG2-CZ 3.88Å; I182-V263 HydrophobicContact CD1-CG1 3.79Å; I182-V263 HydrophobicContact CD1-CG2 4.06Å; I182-V263 HydrophobicContact CG1-CG2 3.92Å; I182-V270 HydrophobicContact CD1-CG2 4.24Å; I182-V270 HydrophobicContact CG1-CG2 4.09Å
183	F	96.8	Very high	95	Very high	2 Å²	2	11 Å²	11	1%	0.009	6%	0.063	C	C	.	.	H	α-helix	trans	-59	-45.4	177.7	176.4	-93.8	0	0	0	112.3	W179 I180 S185 L186 I187 L212 L213 Y321 L324 M325	W179-F183 WeakPolarHBondContact O-CB 3.43Å; W179-F183 PolarHBondContact O-N 2.73Å; I180-F183 PolarHBondContact O-N 2.89Å; F183-S185 VanDerWaalsContact C-N 3.28Å; F183-S185 PolarHBondContact O-N 3.2Å; F183-L186 PolarHBondContact O-N 3.23Å; F183-I187 HydrophobicContact CE1-CD1 4.2Å; F183-I187 HydrophobicContact CZ-CD1 4.18Å; F183-I187 PolarHBondContact O-N 3.22Å; F183-L212 HydrophobicContact CD2-CB 4.18Å; F183-L212 WeakPolarHBondContact CE2-O 3.33Å; F183-L213 HydrophobicContact CD2-CD2 4.25Å; F183-L213 HydrophobicContact CE2-CD2 4.14Å; F183-Y321 HydrophobicContact CB-CD1 4.2Å; F183-Y321 HydrophobicContact CB-CE1 3.83Å; F183-Y321 HydrophobicContact CD1-CD1 4.12Å; F183-Y321 HydrophobicContact CD1-CE1 4.3Å; F183-Y321 AromaticContact CD2-CD1 3.47Å; F183-Y321 HydrophobicContact CD2-CD1 3.47Å; F183-Y321 VanDerWaalsContact CD2-CD1 3.47Å; F183-Y321 AromaticContact CD2-CE1 4Å; F183-Y321 HydrophobicContact CD2-CE1 4Å; F183-Y321 HydrophobicContact CD2-CG 4.46Å; F183-Y321 HydrophobicContact CE1-CD1 4.37Å; F183-Y321 AromaticContact CE2-CD1 3.74Å; F183-Y321 HydrophobicContact CE2-CD1 3.74Å; F183-Y321 HydrophobicContact CE2-CG 4.48Å; F183-Y321 AromaticContact CG-CD1 3.66Å; F183-Y321 HydrophobicContact CG-CD1 3.66Å; F183-Y321 AromaticContact CG-CE1 3.78Å; F183-Y321 HydrophobicContact CG-CE1 3.78Å; F183-Y321 HydrophobicContact CZ-CD1 4.17Å; F183-L324 HydrophobicContact CD1-CD2 4.37Å; F183-L324 HydrophobicContact CE1-CD2 3.61Å; F183-L324 HydrophobicContact CZ-CD2 4.23Å; F183-M325 HydrophobicContact CE1-CE 4.48Å; F183-M325 HydrophobicContact CE2-CE 3.5Å; F183-M325 VanDerWaalsContact CE2-CE 3.5Å; F183-M325 HydrophobicContact CZ-CE 3.3Å; F183-M325 HydrophobicContact CZ-SD 4.05Å
184	E	94.3	Very high	95.2	Very high	13 Å²	13	10.7 Å²	10.7	6%	0.061	6%	0.062	C	C	.	.	H	α-helix	trans	-61.1	-37.5	175	-74.3	170.4	-178.7	0	0	112.4	I180 I182 I187 L188 M280 R285	I180-E184 HydrophobicContact CG2-CG 4.23Å; I180-E184 VanDerWaalsContact CG2-OE1 3.27Å; I180-E184 WeakPolarHBondContact CG2-OE1 3.39Å; I180-E184 WeakPolarHBondContact O-CB 3.12Å; I180-E184 VanDerWaalsContact O-CG 3.23Å; I180-E184 WeakPolarHBondContact O-CG 3.45Å; I180-E184 PolarHBondContact O-N 3.15Å; I182-E184 PolarHBondContact O-N 3.38Å; E184-I187 WeakPolarHBondContact O-CG2 3.26Å; E184-L188 WeakPolarHBondContact O-CB 3.46Å; E184-L188 WeakPolarHBondContact O-CD1 3.45Å; E184-L188 VanDerWaalsContact O-CG 3.28Å; E184-L188 WeakPolarHBondContact O-CG 3.36Å; E184-L188 PolarHBondContact O-N 3.22Å; E184-M280 HydrophobicContact CG-CB 3.93Å; E184-M280 HydrophobicContact CG-CE 3.93Å; E184-M280 WeakPolarHBondContact OE1-CE 3.3Å; E184-R285 IonicContact OE1-CZ 3.18Å; E184-R285 IonicContact OE1-NE 2.84Å; E184-R285 PolarHBondContact OE1-NE 2.91Å; E184-R285 IonicContact OE1-NH2 2.99Å; E184-R285 PolarHBondContact OE1-NH2 2.92Å; E184-R285 IonicContact OE2-CZ 2.68Å; E184-R285 IonicContact OE2-NE 2.68Å; E184-R285 IonicContact OE2-NH2 3.56Å; E184-R285 PolarHBondContact OE2-NH2 2.93Å
185	S	94.5	Very high	95.3	Very high	6 Å²	6	10.8 Å²	10.8	4%	0.042	6%	0.062	C	C	.	.	H	α-helix	trans	-68.5	-42.4	176.8	-58.9	0	0	0	0	110.9	V181 I182 F183 L188 E189 K190 R261	V181-S185 WeakPolarHBondContact O-CB 3.35Å; V181-S185 PolarHBondContact O-N 3.37Å; V181-S185 PolarHBondContact O-OG 3.3Å; I182-S185 WeakPolarHBondContact O-CB 3.43Å; I182-S185 PolarHBondContact O-N 2.97Å; I182-S185 VanDerWaalsContact O-N 3.14Å; F183-S185 VanDerWaalsContact C-N 3.28Å; F183-S185 PolarHBondContact O-N 3.2Å; S185-L188 CarbonylContact O-C 3.52Å; S185-L188 PolarHBondContact O-N 3.01Å; S185-E189 PolarHBondContact O-N 2.68Å; S185-K190 WeakPolarHBondContact O-CB 3.38Å; S185-K190 PolarHBondContact O-N 3.21Å; S185-R261 WeakPolarHBondContact OG-CG 3.33Å
186	L	96.1	Very high	95.4	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-69.1	-44.4	179.1	-69.3	173	0	0	0	112.2	I182 F183 L188 E189 V192 L210 L213 W218 V241 M398	I182-L186 HydrophobicContact CG2-CD1 3.93Å; I182-L186 HydrophobicContact CG2-CG 4.38Å; I182-L186 WeakPolarHBondContact O-CG 3.28Å; I182-L186 PolarHBondContact O-N 3.26Å; F183-L186 PolarHBondContact O-N 3.23Å; L186-L188 PolarHBondContact O-N 3.02Å; L186-E189 PolarHBondContact O-N 3.08Å; L186-V192 HydrophobicContact CD2-CB 4.25Å; L186-V192 HydrophobicContact CD2-CG2 3.69Å; L186-V192 HydrophobicContact CG-CG2 4.14Å; L186-L210 HydrophobicContact CD2-CD2 4.42Å; L186-L213 HydrophobicContact CB-CD1 4.15Å; L186-L213 HydrophobicContact CB-CD2 3.91Å; L186-L213 HydrophobicContact CB-CG 4.47Å; L186-W218 HydrophobicContact CD2-CE3 4.45Å; L186-W218 HydrophobicContact CD2-CH2 4.24Å; L186-W218 HydrophobicContact CD2-CZ3 4.05Å; L186-W218 WeakPolarHBondContact O-CZ3 3.21Å; L186-V241 HydrophobicContact CD2-CG2 3.56Å; L186-M398 WeakPolarHBondContact O-CE 3.31Å
187	I	94.9	Very high	95.5	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-65.1	-24.9	179.8	-157.3	179.5	0	0	0	112.3	F183 E184 E189 L216 M325 L328 Y389 L393	F183-I187 HydrophobicContact CE1-CD1 4.2Å; F183-I187 HydrophobicContact CZ-CD1 4.18Å; F183-I187 PolarHBondContact O-N 3.22Å; E184-I187 WeakPolarHBondContact O-CG2 3.26Å; I187-E189 VanDerWaalsContact C-N 3.32Å; I187-L216 HydrophobicContact CG1-CD1 4.31Å; I187-M325 HydrophobicContact CD1-CE 3.82Å; I187-M325 HydrophobicContact CD1-SD 3.89Å; I187-M325 HydrophobicContact CG1-CE 4.26Å; I187-L328 HydrophobicContact CD1-CD1 3.79Å; I187-Y389 VanDerWaalsContact CG2-OH 3.31Å; I187-Y389 WeakPolarHBondContact CG2-OH 3.48Å; I187-L393 HydrophobicContact CD1-CD1 4.37Å; I187-L393 HydrophobicContact CD1-CD2 4.22Å; I187-L393 HydrophobicContact CG1-CD2 3.88Å; I187-L393 HydrophobicContact CG2-CD2 4.37Å; I187-L393 WeakPolarHBondContact O-CD2 3.21Å
188	L	93.3	Very high	95.6	Very high	33 Å²	33	13.7 Å²	13.7	17%	0.173	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	14	172.2	-65.5	172.2	0	0	0	113.2	E184 S185 L186 K190 I278 Y389 E392 L393	E184-L188 WeakPolarHBondContact O-CB 3.46Å; E184-L188 WeakPolarHBondContact O-CD1 3.45Å; E184-L188 VanDerWaalsContact O-CG 3.28Å; E184-L188 WeakPolarHBondContact O-CG 3.36Å; E184-L188 PolarHBondContact O-N 3.22Å; S185-L188 CarbonylContact O-C 3.52Å; S185-L188 PolarHBondContact O-N 3.01Å; L186-L188 PolarHBondContact O-N 3.02Å; L188-K190 HydrophobicContact CB-CG 4.34Å; L188-K190 PolarHBondContact O-N 3.32Å; L188-K190 VanDerWaalsContact O-N 3.16Å; L188-I278 WeakPolarHBondContact CD1-O 3.36Å; L188-Y389 HydrophobicContact CD2-CE2 4.09Å; L188-E392 HydrophobicContact CD2-CG 4.21Å; L188-L393 HydrophobicContact CD2-CD2 4.12Å
189	E	94.7	Very high	95.6	Very high	27 Å²	27	14.1 Å²	14.1	13%	0.126	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	36.6	178.3	-66.6	179.3	173.3	0	0	113.8	S185 L186 I187 W218 H220 P239 S396 Q397 M398	S185-E189 PolarHBondContact O-N 2.68Å; L186-E189 PolarHBondContact O-N 3.08Å; I187-E189 VanDerWaalsContact C-N 3.32Å; E189-W218 HydrophobicContact CG-CZ3 4.38Å; E189-H220 VanDerWaalsContact CD-NE2 3.29Å; E189-H220 IonicContact OE1-NE2 3.23Å; E189-H220 IonicContact OE2-NE2 2.62Å; E189-P239 HydrophobicContact CB-CB 4.4Å; E189-P239 HydrophobicContact CB-CG 4.18Å; E189-P239 WeakPolarHBondContact O-CB 3.39Å; E189-P239 WeakPolarHBondContact O-CG 3.31Å; E189-S396 PolarHBondContact OE1-OG 3.33Å; E189-S396 WeakPolarHBondContact OE2-CA 3.49Å; E189-Q397 VanDerWaalsContact CD-N 3.29Å; E189-Q397 WeakPolarHBondContact OE1-CA 3.05Å; E189-Q397 WeakPolarHBondContact OE1-CB 3.3Å; E189-Q397 PolarHBondContact OE1-N 3.16Å; E189-Q397 PolarHBondContact OE2-N 2.94Å; E189-M398 HydrophobicContact CG-CE 3.64Å; E189-M398 WeakPolarHBondContact OE1-CG 3.43Å; E189-M398 PolarHBondContact OE1-N 3.49Å
190	K	93.6	Very high	95.5	Very high	31 Å²	31	15.2 Å²	15.2	14%	0.135	8%	0.077	C	C	.	.			trans	-80.9	147.5	172	-59.2	-166.5	172.2	-158.8	0	110.4	S185 L188 V192 D275	S185-K190 WeakPolarHBondContact O-CB 3.38Å; S185-K190 PolarHBondContact O-N 3.21Å; L188-K190 HydrophobicContact CB-CG 4.34Å; L188-K190 PolarHBondContact O-N 3.32Å; L188-K190 VanDerWaalsContact O-N 3.16Å; K190-V192 PolarHBondContact O-N 2.9Å; K190-D275 IonicContact NZ-OD2 3.95Å; K190-D275 PolarHBondContact NZ-OD2 2.95Å
191	S	95.8	Very high	95.6	Very high	11 Å²	11	16.8 Å²	16.8	8%	0.077	8%	0.082	C	C	.	.			trans	-67.6	131	172.2	-61.5	0	0	0	0	111	T238 P239 F240 R261	S191-T238 PolarHBondContact OG-O 3.37Å; S191-P239 WeakPolarHBondContact OG-CA 3.4Å; S191-F240 CarbonylContact C-O 3.55Å; S191-F240 WeakPolarHBondContact CA-O 3Å; S191-F240 VanDerWaalsContact OG-CD1 3.31Å; S191-F240 WeakPolarHBondContact OG-CD1 3.47Å; S191-F240 WeakPolarHBondContact OG-CE1 3.45Å; S191-F240 PolarHBondContact OG-N 3.06Å; S191-R261 PolarHBondContact O-N 3.26Å
192	V	97.6	Very high	95.8	Very high	1 Å²	1	16 Å²	16	1%	0.006	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	124.5	-178.7	-173.4	0	0	0	0	110.4	L186 K190 F194 F240 V241 A242 R261 V263	L186-V192 HydrophobicContact CD2-CB 4.25Å; L186-V192 HydrophobicContact CD2-CG2 3.69Å; L186-V192 HydrophobicContact CG-CG2 4.14Å; K190-V192 PolarHBondContact O-N 2.9Å; V192-F194 HydrophobicContact CB-CE2 4.35Å; V192-F194 HydrophobicContact CG1-CD2 4.18Å; V192-F194 HydrophobicContact CG1-CE1 4.48Å; V192-F194 HydrophobicContact CG1-CE2 3.65Å; V192-F194 HydrophobicContact CG1-CZ 3.83Å; V192-F240 PolarHBondContact N-O 3.43Å; V192-V241 CarbonylContact O-C 3.53Å; V192-V241 VanDerWaalsContact O-CA 3.31Å; V192-V241 WeakPolarHBondContact O-CA 3.32Å; V192-A242 PolarHBondContact O-N 2.75Å; V192-R261 CarbonylContact C-O 3.56Å; V192-R261 WeakPolarHBondContact CA-O 3.5Å; V192-R261 HydrophobicContact CG1-CB 4.46Å; V192-R261 HydrophobicContact CG2-CB 4.23Å; V192-V263 HydrophobicContact CG1-CG2 3.68Å
193	I	98.2	Very high	95.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119	176.7	-57.4	174.7	0	0	0	109.5	V234 F240 A242 V244 M252 L256 V260 R261 L262 V263	I193-V234 HydrophobicContact CD1-CB 3.84Å; I193-V234 HydrophobicContact CD1-CG1 3.98Å; I193-F240 HydrophobicContact CD1-CE2 3.98Å; I193-F240 HydrophobicContact CD1-CZ 4.04Å; I193-F240 HydrophobicContact CG1-CE2 3.69Å; I193-F240 HydrophobicContact CG1-CZ 4.15Å; I193-A242 CarbonylContact C-O 3.51Å; I193-A242 WeakPolarHBondContact CA-O 3.44Å; I193-A242 HydrophobicContact CG1-CB 4.39Å; I193-V244 HydrophobicContact CG2-CB 4.33Å; I193-V244 HydrophobicContact CG2-CG2 3.76Å; I193-M252 HydrophobicContact CD1-SD 4.23Å; I193-M252 HydrophobicContact CG2-SD 3.82Å; I193-L256 HydrophobicContact CD1-CD2 3.41Å; I193-L256 VanDerWaalsContact CD1-CD2 3.41Å; I193-V260 HydrophobicContact CD1-CG1 3.71Å; I193-V260 HydrophobicContact CG1-CG1 3.97Å; I193-R261 PolarHBondContact N-O 3.13Å; I193-L262 HydrophobicContact CB-CD1 4Å; I193-L262 HydrophobicContact CG2-CD1 3.99Å; I193-V263 PolarHBondContact O-N 2.92Å
194	F	98.6	Very high	95.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	130.5	173.4	-66.2	-85.5	0	0	0	110.1	I182 V192 I202 C205 L206 S209 V241 A242 G243 V244 V263 L265	I182-F194 HydrophobicContact CD1-CE1 4.1Å; I182-F194 HydrophobicContact CG2-CE1 4.34Å; I182-F194 HydrophobicContact CG2-CZ 3.88Å; V192-F194 HydrophobicContact CB-CE2 4.35Å; V192-F194 HydrophobicContact CG1-CD2 4.18Å; V192-F194 HydrophobicContact CG1-CE1 4.48Å; V192-F194 HydrophobicContact CG1-CE2 3.65Å; V192-F194 HydrophobicContact CG1-CZ 3.83Å; F194-I202 HydrophobicContact CB-CG2 4.27Å; F194-C205 HydrophobicContact CD1-CB 4.31Å; F194-C205 HydrophobicContact CE1-CB 4.46Å; F194-L206 HydrophobicContact CD2-CB 3.95Å; F194-L206 HydrophobicContact CD2-CD1 4.17Å; F194-L206 HydrophobicContact CD2-CG 4.12Å; F194-L206 HydrophobicContact CE2-CB 4.24Å; F194-L206 HydrophobicContact CE2-CG 4.32Å; F194-L206 HydrophobicContact CG-CB 4.46Å; F194-S209 WeakPolarHBondContact CZ-OG 3.36Å; F194-V241 HydrophobicContact CD2-CG1 4.01Å; F194-V241 HydrophobicContact CE2-CG1 3.72Å; F194-A242 PolarHBondContact N-O 3.17Å; F194-G243 CarbonylContact O-C 3.55Å; F194-G243 VanDerWaalsContact O-CA 3.3Å; F194-G243 WeakPolarHBondContact O-CA 3.23Å; F194-V244 PolarHBondContact O-N 2.81Å; F194-V263 HydrophobicContact CD1-CB 3.8Å; F194-V263 HydrophobicContact CD1-CG1 3.82Å; F194-V263 HydrophobicContact CD1-CG2 4.16Å; F194-V263 HydrophobicContact CE1-CB 4.17Å; F194-V263 HydrophobicContact CE1-CG1 4.03Å; F194-V263 HydrophobicContact CE1-CG2 4.1Å; F194-V263 HydrophobicContact CG-CB 4.47Å; F194-L265 HydrophobicContact CB-CD1 4.04Å; F194-L265 HydrophobicContact CD1-CD1 4.27Å; F194-L265 HydrophobicContact CD1-CD2 3.94Å; F194-L265 HydrophobicContact CD1-CG 4.34Å
195	Y	97.7	Very high	96	Very high	4 Å²	4	15.4 Å²	15.4	2%	0.016	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	148	173.6	76.1	-80.2	0	0	0	113.5	V244 K249 L262 V263 D264 L265	Y195-V244 WeakPolarHBondContact CA-O 3.48Å; Y195-V244 WeakPolarHBondContact CB-O 3.5Å; Y195-K249 HydrophobicContact CD2-CD 4.26Å; Y195-K249 HydrophobicContact CE2-CD 3.61Å; Y195-K249 HydrophobicContact CE2-CG 4.32Å; Y195-K249 VanDerWaalsContact OH-CE 3.3Å; Y195-K249 WeakPolarHBondContact OH-CE 3.11Å; Y195-K249 PolarHBondContact OH-NZ 3.5Å; Y195-L262 HydrophobicContact CD1-CD1 3.46Å; Y195-L262 VanDerWaalsContact CD1-CD1 3.46Å; Y195-L262 HydrophobicContact CD1-CG 3.91Å; Y195-L262 HydrophobicContact CE1-CD1 3.68Å; Y195-L262 HydrophobicContact CE1-CD2 3.99Å; Y195-L262 HydrophobicContact CE1-CG 3.57Å; Y195-L262 HydrophobicContact CG-CD1 4.49Å; Y195-V263 WeakPolarHBondContact CD1-O 3.34Å; Y195-V263 PolarHBondContact N-O 2.93Å; Y195-D264 HydrophobicContact CE1-CB 3.61Å; Y195-D264 HydrophobicContact CE2-CB 4.14Å; Y195-D264 VanDerWaalsContact CZ-CG 3.44Å; Y195-D264 VanDerWaalsContact OH-CB 3.26Å; Y195-D264 WeakPolarHBondContact OH-CB 3.25Å; Y195-D264 VanDerWaalsContact OH-CG 3.25Å; Y195-D264 PolarHBondContact OH-OD2 3.29Å; Y195-L265 WeakPolarHBondContact O-CB 3.38Å; Y195-L265 PolarHBondContact O-N 3.47Å
196	S	96.8	Very high	96.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	161.7	-174.3	-176.4	0	0	0	0	109.8	R198 I202 V244 H245 S246 D266	S196-R198 VanDerWaalsContact C-N 3.26Å; S196-R198 PolarHBondContact OG-N 3.11Å; S196-R198 PolarHBondContact OG-O 3.47Å; S196-I202 VanDerWaalsContact CB-CG1 3.46Å; S196-V244 PolarHBondContact N-O 3.25Å; S196-H245 CarbonylContact O-C 3.59Å; S196-H245 WeakPolarHBondContact O-CA 3.46Å; S196-S246 PolarHBondContact O-N 2.6Å; S196-D266 WeakPolarHBondContact CA-OD2 3.34Å; S196-D266 PolarHBondContact OG-OD1 3.2Å; S196-D266 VanDerWaalsContact OG-OD1 3.12Å
197	S	93.5	Very high	96.1	Very high	50 Å²	50	15.2 Å²	15.2	35%	0.35	7%	0.074	S	C	.	.	S	Bend	trans	-75	-10.4	163.7	50.3	0	0	0	0	114.1	H245 S246 D266	S197-H245 PolarHBondContact O-NE2 3.05Å; S197-S246 WeakPolarHBondContact CA-OG 3.4Å; S197-D266 WeakPolarHBondContact CB-OD2 3.47Å; S197-D266 PolarHBondContact N-OD2 3.07Å; S197-D266 PolarHBondContact OG-OD1 2.95Å; S197-D266 PolarHBondContact OG-OD2 2.95Å
198	R	94.1	Very high	96.2	Very high	80 Å²	80	15.1 Å²	15.1	30%	0.302	7%	0.074	S	C	.	.			trans	-116.7	124.7	-178.3	-61.7	-157	-40.7	174.9	10.9	112.5	E62 E169 S196 R201 I202	E62-R198 WeakPolarHBondContact OE1-CA 3.21Å; E62-R198 WeakPolarHBondContact OE1-CB 3.4Å; E62-R198 WeakPolarHBondContact OE1-CG 3.33Å; E169-R198 IonicContact OE1-CZ 3.52Å; E169-R198 IonicContact OE1-NH2 3.13Å; E169-R198 PolarHBondContact OE1-NH2 3.06Å; E169-R198 IonicContact OE2-NH2 3.57Å; E169-R198 PolarHBondContact OE2-NH2 3.37Å; S196-R198 VanDerWaalsContact C-N 3.26Å; S196-R198 PolarHBondContact OG-N 3.11Å; S196-R198 PolarHBondContact OG-O 3.47Å; R198-R201 HydrophobicContact CB-CB 3.92Å; R198-R201 PolarHBondContact O-N 2.98Å; R198-I202 WeakPolarHBondContact O-CG1 3.33Å; R198-I202 PolarHBondContact O-N 3.03Å
199	L	94.6	Very high	96.4	Very high	10 Å²	10	13.6 Å²	13.6	5%	0.052	7%	0.066	C	C	.	.	H	α-helix	trans	-65.7	-43.6	-178.2	-60.7	-176	0	0	0	111.8	P53 E62 Y64 R201 I202 T203 L225 H245	P53-L199 HydrophobicContact CG-CD2 4.06Å; E62-L199 PolarHBondContact OE2-N 3.19Å; E62-L199 VanDerWaalsContact OE2-N 3.12Å; Y64-L199 HydrophobicContact CD1-CB 3.92Å; Y64-L199 HydrophobicContact CD1-CD1 4.12Å; Y64-L199 HydrophobicContact CE1-CD1 3.97Å; Y64-L199 HydrophobicContact CE2-CD1 4.39Å; Y64-L199 HydrophobicContact CG-CB 3.92Å; Y64-L199 HydrophobicContact CG-CD1 4.45Å; L199-R201 VanDerWaalsContact C-N 3.25Å; L199-R201 PolarHBondContact O-N 2.94Å; L199-I202 HydrophobicContact CD2-CD1 4.46Å; L199-I202 PolarHBondContact O-N 3.43Å; L199-I202 VanDerWaalsContact O-N 3.15Å; L199-T203 PolarHBondContact O-N 2.92Å; L199-T203 VanDerWaalsContact O-N 3.12Å; L199-T203 PolarHBondContact O-OG1 3.11Å; L199-L225 HydrophobicContact CB-CD1 4.26Å; L199-L225 HydrophobicContact CD1-CD1 4.39Å; L199-L225 HydrophobicContact CD2-CD1 3.96Å; L199-L225 HydrophobicContact CD2-CD2 3.97Å; L199-L225 HydrophobicContact CG-CD1 4.43Å; L199-H245 HydrophobicContact CD2-CB 4.39Å
200	Q	94.8	Very high	96.5	Very high	31 Å²	31	12.5 Å²	12.5	15%	0.145	6%	0.06	C	C	.	.	H	α-helix	trans	-54.3	-44.5	177.5	177.7	171.3	-7.4	0	0	111.7	E63 T203 S204	E63-Q200 VanDerWaalsContact O-CA 3.3Å; E63-Q200 WeakPolarHBondContact O-CA 3.2Å; E63-Q200 WeakPolarHBondContact O-CB 3.27Å; E63-Q200 WeakPolarHBondContact O-CG 3.13Å; Q200-T203 PolarHBondContact O-OG1 3Å; Q200-S204 WeakPolarHBondContact O-CB 3.38Å; Q200-S204 PolarHBondContact O-N 3.37Å; Q200-S204 PolarHBondContact O-OG 2.73Å
201	R	96.3	Very high	96.5	Very high	35 Å²	35	11.4 Å²	11.4	13%	0.132	6%	0.057	C	C	.	.	H	α-helix	trans	-64.4	-43.3	-178.2	-175.4	177.3	-76	163.3	-1.9	110.8	E169 T173 R198 L199 C205 L265 D266	E169-R201 WeakPolarHBondContact OE1-CB 3.48Å; E169-R201 WeakPolarHBondContact OE1-CG 3.42Å; E169-R201 IonicContact OE1-NE 2.92Å; E169-R201 PolarHBondContact OE1-NE 2.83Å; T173-R201 HydrophobicContact CG2-CG 3.77Å; T173-R201 PolarHBondContact OG1-NE 3.32Å; R198-R201 HydrophobicContact CB-CB 3.92Å; R198-R201 PolarHBondContact O-N 2.98Å; L199-R201 VanDerWaalsContact C-N 3.25Å; L199-R201 PolarHBondContact O-N 2.94Å; R201-C205 VanDerWaalsContact O-CB 3.25Å; R201-C205 WeakPolarHBondContact O-CB 3.03Å; R201-C205 PolarHBondContact O-N 2.85Å; R201-C205 PolarHBondContact O-SG 2.69Å; R201-L265 HydrophobicContact CG-CB 4.13Å; R201-L265 HydrophobicContact CG-CD1 4.12Å; R201-D266 IonicContact CZ-OD1 3.21Å; R201-D266 IonicContact NH1-OD1 3.45Å; R201-D266 PolarHBondContact NH1-OD1 3.14Å
202	I	97.8	Very high	96.5	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-59.5	-58.1	179.1	-61.4	166.5	0	0	0	110.4	F194 S196 R198 L199 S204 C205 L206 L225 V244 L265	F194-I202 HydrophobicContact CB-CG2 4.27Å; S196-I202 VanDerWaalsContact CB-CG1 3.46Å; R198-I202 WeakPolarHBondContact O-CG1 3.33Å; R198-I202 PolarHBondContact O-N 3.03Å; L199-I202 HydrophobicContact CD2-CD1 4.46Å; L199-I202 PolarHBondContact O-N 3.43Å; L199-I202 VanDerWaalsContact O-N 3.15Å; I202-S204 VanDerWaalsContact C-N 3.33Å; I202-S204 PolarHBondContact O-N 3.05Å; I202-C205 PolarHBondContact O-N 3.02Å; I202-L206 VanDerWaalsContact O-CB 3.24Å; I202-L206 WeakPolarHBondContact O-CB 3Å; I202-L206 PolarHBondContact O-N 2.81Å; I202-L225 HydrophobicContact CB-CD2 4.08Å; I202-L225 HydrophobicContact CD1-CD2 3.9Å; I202-L225 HydrophobicContact CG2-CD2 3.81Å; I202-V244 WeakPolarHBondContact CD1-O 3.48Å; I202-L265 HydrophobicContact CG1-CD1 4.33Å
203	T	97	Very high	96.4	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-68.1	-36.9	-172.9	62.1	0	0	0	0	111.4	Y64 T65 L199 Q200 L207 L225	Y64-T203 WeakPolarHBondContact CA-OG1 3.18Å; Y64-T203 WeakPolarHBondContact CB-OG1 3.01Å; T65-T203 PolarHBondContact N-OG1 2.88Å; T65-T203 VanDerWaalsContact O-CG2 3.23Å; T65-T203 WeakPolarHBondContact O-CG2 3.29Å; L199-T203 PolarHBondContact O-N 2.92Å; L199-T203 VanDerWaalsContact O-N 3.12Å; L199-T203 PolarHBondContact O-OG1 3.11Å; Q200-T203 PolarHBondContact O-OG1 3Å; T203-L207 WeakPolarHBondContact O-CB 3.44Å; T203-L207 VanDerWaalsContact O-CG 3.31Å; T203-L207 WeakPolarHBondContact O-CG 3.3Å; T203-L207 PolarHBondContact O-N 2.85Å; T203-L225 HydrophobicContact CG2-CD1 3.97Å; T203-L225 HydrophobicContact CG2-CD2 4.2Å; T203-L225 HydrophobicContact CG2-CG 3.76Å
204	S	97	Very high	96.2	Very high	3 Å²	3	12.1 Å²	12.1	2%	0.021	6%	0.058	C	C	.	.	H	α-helix	trans	-64.3	-49.3	176.4	-63	0	0	0	0	112	H166 Q200 I202 L206 L207 A208	H166-S204 PolarHBondContact CD2-OG 3.49Å; Q200-S204 WeakPolarHBondContact O-CB 3.38Å; Q200-S204 PolarHBondContact O-N 3.37Å; Q200-S204 PolarHBondContact O-OG 2.73Å; I202-S204 VanDerWaalsContact C-N 3.33Å; I202-S204 PolarHBondContact O-N 3.05Å; S204-L206 VanDerWaalsContact C-N 3.34Å; S204-L206 PolarHBondContact O-N 2.81Å; S204-L207 PolarHBondContact O-N 3.37Å; S204-A208 WeakPolarHBondContact O-CB 3.49Å; S204-A208 PolarHBondContact O-N 2.81Å
205	C	98.2	Very high	95.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64.2	-40.7	179.7	-66.4	0	0	0	0	111.6	Y170 F194 R201 I202 S209 L265	Y170-C205 HydrophobicContact CD2-CB 3.56Å; Y170-C205 HydrophobicContact CE2-CB 4.09Å; F194-C205 HydrophobicContact CD1-CB 4.31Å; F194-C205 HydrophobicContact CE1-CB 4.46Å; R201-C205 VanDerWaalsContact O-CB 3.25Å; R201-C205 WeakPolarHBondContact O-CB 3.03Å; R201-C205 PolarHBondContact O-N 2.85Å; R201-C205 PolarHBondContact O-SG 2.69Å; I202-C205 PolarHBondContact O-N 3.02Å; C205-S209 WeakPolarHBondContact O-CB 3.3Å; C205-S209 PolarHBondContact O-N 3.38Å; C205-S209 PolarHBondContact O-OG 3.33Å; C205-L265 HydrophobicContact CB-CD1 3.91Å; C205-L265 HydrophobicContact CB-CD2 3.84Å
206	L	97.9	Very high	95.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60	-54.6	176	-177	154.2	0	0	0	111.1	F194 I202 S204 A208 S209 L210 I222 V241	F194-L206 HydrophobicContact CD2-CB 3.95Å; F194-L206 HydrophobicContact CD2-CD1 4.17Å; F194-L206 HydrophobicContact CD2-CG 4.12Å; F194-L206 HydrophobicContact CE2-CB 4.24Å; F194-L206 HydrophobicContact CE2-CG 4.32Å; F194-L206 HydrophobicContact CG-CB 4.46Å; I202-L206 VanDerWaalsContact O-CB 3.24Å; I202-L206 WeakPolarHBondContact O-CB 3Å; I202-L206 PolarHBondContact O-N 2.81Å; S204-L206 VanDerWaalsContact C-N 3.34Å; S204-L206 PolarHBondContact O-N 2.81Å; L206-A208 VanDerWaalsContact C-N 3.35Å; L206-A208 PolarHBondContact O-N 3.48Å; L206-S209 PolarHBondContact O-N 3.16Å; L206-S209 PolarHBondContact O-OG 2.84Å; L206-L210 HydrophobicContact CD2-CD1 3.92Å; L206-L210 PolarHBondContact O-N 3.24Å; L206-L210 VanDerWaalsContact O-N 3.17Å; L206-I222 HydrophobicContact CD2-CG2 3.86Å; L206-V241 HydrophobicContact CD1-CG1 3.72Å; L206-V241 HydrophobicContact CD2-CG1 4.31Å; L206-V241 HydrophobicContact CG-CG1 3.6Å
207	L	96.4	Very high	95.5	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.01	7%	0.071	C	C	.	.	H	α-helix	trans	-64.5	-38.9	-179.9	-74.4	170	0	0	0	112.4	M1 F2 T65 I67 F99 H166 T203 S204 L210 S211	M1-L207 HydrophobicContact CE-CD2 3.82Å; F2-L207 HydrophobicContact CE2-CD2 4.26Å; F2-L207 HydrophobicContact CZ-CD2 4.1Å; T65-L207 HydrophobicContact CG2-CD1 3.96Å; I67-L207 HydrophobicContact CD1-CD2 3.48Å; I67-L207 VanDerWaalsContact CD1-CD2 3.48Å; I67-L207 HydrophobicContact CD1-CG 4.46Å; F99-L207 HydrophobicContact CE1-CD1 4.4Å; F99-L207 HydrophobicContact CZ-CD1 4.21Å; F99-L207 HydrophobicContact CZ-CD2 4.28Å; H166-L207 WeakPolarHBondContact CE1-CD1 3.17Å; T203-L207 WeakPolarHBondContact O-CB 3.44Å; T203-L207 VanDerWaalsContact O-CG 3.31Å; T203-L207 WeakPolarHBondContact O-CG 3.3Å; T203-L207 PolarHBondContact O-N 2.85Å; S204-L207 PolarHBondContact O-N 3.37Å; L207-L210 PolarHBondContact O-N 2.65Å; L207-S211 PolarHBondContact O-N 2.91Å
208	A	96.7	Very high	95.4	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-58.7	-50.6	173.8	0	0	0	0	0	111.3	H166 I167 Y170 S204 L206 L210 S211 L212	H166-A208 HydrophobicContact CB-CB 4.25Å; I167-A208 HydrophobicContact CD1-CB 3.71Å; Y170-A208 VanDerWaalsContact CB-CB 3.49Å; Y170-A208 HydrophobicContact CD1-CB 3.72Å; Y170-A208 HydrophobicContact CD2-CB 4.45Å; Y170-A208 HydrophobicContact CG-CB 3.67Å; S204-A208 WeakPolarHBondContact O-CB 3.49Å; S204-A208 PolarHBondContact O-N 2.81Å; L206-A208 VanDerWaalsContact C-N 3.35Å; L206-A208 PolarHBondContact O-N 3.48Å; A208-L210 VanDerWaalsContact C-N 3.32Å; A208-L210 PolarHBondContact O-N 3.4Å; A208-S211 WeakPolarHBondContact O-CB 3.34Å; A208-S211 PolarHBondContact O-N 3.49Å; A208-S211 VanDerWaalsContact O-N 3.07Å; A208-S211 PolarHBondContact O-OG 3.24Å; A208-L212 PolarHBondContact O-N 3.31Å
209	S	97.6	Very high	95.3	Very high	1 Å²	1	10 Å²	10	1%	0.007	5%	0.051	C	C	.	.	H	α-helix	trans	-59.9	-40.9	-178.8	72.3	0	0	0	0	112.6	F194 C205 L206 L212	F194-S209 WeakPolarHBondContact CZ-OG 3.36Å; C205-S209 WeakPolarHBondContact O-CB 3.3Å; C205-S209 PolarHBondContact O-N 3.38Å; C205-S209 PolarHBondContact O-OG 3.33Å; L206-S209 PolarHBondContact O-N 3.16Å; L206-S209 PolarHBondContact O-OG 2.84Å; S209-L212 PolarHBondContact O-N 2.98Å
210	L	95.7	Very high	95.2	Very high	3 Å²	3	11.2 Å²	11.2	2%	0.016	6%	0.057	C	C	.	.	H	α-helix	trans	-67.6	-34.2	175.5	-68	177.4	0	0	0	112.3	M1 L186 L206 L207 A208 L212 L213 W218 I222 V241	M1-L210 HydrophobicContact CG-CB 4.27Å; M1-L210 HydrophobicContact SD-CB 3.36Å; M1-L210 WeakPolarHBondContact SD-CB 3.49Å; L186-L210 HydrophobicContact CD2-CD2 4.42Å; L206-L210 HydrophobicContact CD2-CD1 3.92Å; L206-L210 PolarHBondContact O-N 3.24Å; L206-L210 VanDerWaalsContact O-N 3.17Å; L207-L210 PolarHBondContact O-N 2.65Å; A208-L210 VanDerWaalsContact C-N 3.32Å; A208-L210 PolarHBondContact O-N 3.4Å; L210-L212 PolarHBondContact O-N 2.99Å; L210-L213 HydrophobicContact CD2-CD1 4.05Å; L210-L213 WeakPolarHBondContact O-CB 3.35Å; L210-L213 PolarHBondContact O-N 3.26Å; L210-L213 VanDerWaalsContact O-N 3.15Å; L210-W218 HydrophobicContact CD2-CB 3.94Å; L210-W218 HydrophobicContact CD2-CD2 4.11Å; L210-W218 HydrophobicContact CD2-CG 3.85Å; L210-I222 HydrophobicContact CD1-CD1 3.68Å; L210-I222 HydrophobicContact CD1-CG1 4.16Å; L210-I222 HydrophobicContact CD1-CG2 4.44Å; L210-V241 HydrophobicContact CD2-CG2 4.1Å
211	S	93.9	Very high	95	Very high	8 Å²	8	12.9 Å²	12.9	6%	0.056	7%	0.066	C	C	.	.	H	α-helix	trans	-66	-25.4	179.1	76	0	0	0	0	113.2	M1 L207 A208 L213	M1-S211 PolarHBondContact SD-N 3.39Å; L207-S211 PolarHBondContact O-N 2.91Å; A208-S211 WeakPolarHBondContact O-CB 3.34Å; A208-S211 PolarHBondContact O-N 3.49Å; A208-S211 VanDerWaalsContact O-N 3.07Å; A208-S211 PolarHBondContact O-OG 3.24Å; S211-L213 PolarHBondContact O-N 3.42Å
212	L	95.8	Very high	94.9	Very high	2 Å²	2	11.4 Å²	11.4	1%	0.01	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-14.7	176.8	-60.1	178.8	0	0	0	113	I167 Y170 W179 F183 A208 S209 L210 Y214 A318 Y321	I167-L212 HydrophobicContact CD1-CD2 4.19Å; Y170-L212 HydrophobicContact CE1-CD1 3.97Å; W179-L212 HydrophobicContact CE3-CD1 3.66Å; W179-L212 HydrophobicContact CZ3-CD1 3.76Å; W179-L212 HydrophobicContact CZ3-CD2 4.35Å; F183-L212 HydrophobicContact CD2-CB 4.18Å; F183-L212 WeakPolarHBondContact CE2-O 3.33Å; A208-L212 PolarHBondContact O-N 3.31Å; S209-L212 PolarHBondContact O-N 2.98Å; L210-L212 PolarHBondContact O-N 2.99Å; L212-Y214 VanDerWaalsContact C-N 3.27Å; L212-Y214 PolarHBondContact O-N 3.47Å; L212-A318 HydrophobicContact CD2-CB 3.91Å; L212-Y321 HydrophobicContact CB-CD1 4.37Å; L212-Y321 HydrophobicContact CB-CG 4.15Å; L212-Y321 HydrophobicContact CD1-CD1 4.29Å; L212-Y321 HydrophobicContact CD1-CD2 4.05Å; L212-Y321 HydrophobicContact CD1-CE1 4.24Å; L212-Y321 HydrophobicContact CD1-CE2 4.02Å; L212-Y321 HydrophobicContact CD1-CG 4.2Å; L212-Y321 HydrophobicContact CD2-CD2 3.83Å; L212-Y321 HydrophobicContact CD2-CE2 4.44Å; L212-Y321 HydrophobicContact CD2-CG 4.13Å; L212-Y321 HydrophobicContact CG-CD2 4.39Å; L212-Y321 HydrophobicContact CG-CG 4.39Å
213	L	95.4	Very high	94.7	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-9.5	179.2	-62.9	173.5	0	0	0	113.6	F183 L186 L210 S211 L216 W218 M325 M398	F183-L213 HydrophobicContact CD2-CD2 4.25Å; F183-L213 HydrophobicContact CE2-CD2 4.14Å; L186-L213 HydrophobicContact CB-CD1 4.15Å; L186-L213 HydrophobicContact CB-CD2 3.91Å; L186-L213 HydrophobicContact CB-CG 4.47Å; L210-L213 HydrophobicContact CD2-CD1 4.05Å; L210-L213 WeakPolarHBondContact O-CB 3.35Å; L210-L213 PolarHBondContact O-N 3.26Å; L210-L213 VanDerWaalsContact O-N 3.15Å; S211-L213 PolarHBondContact O-N 3.42Å; L213-L216 HydrophobicContact CB-CB 4.47Å; L213-L216 WeakPolarHBondContact O-CA 3.16Å; L213-L216 WeakPolarHBondContact O-CB 3.4Å; L213-L216 PolarHBondContact O-N 2.86Å; L213-W218 HydrophobicContact CD1-CB 4.42Å; L213-W218 HydrophobicContact CD1-CE3 4.1Å; L213-M325 HydrophobicContact CD2-CE 4.3Å; L213-M325 WeakPolarHBondContact O-CE 3.38Å; L213-M398 HydrophobicContact CD1-SD 4.03Å
214	Y	93.6	Very high	94.6	Very high	24 Å²	24	14 Å²	14	9%	0.094	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	130.8	178.7	176.8	-91.8	0	0	0	111.3	Q158 Q160 L212 L322 M325 D421 F422	Q158-Y214 PolarHBondContact O-OH 3.09Å; Q160-Y214 HydrophobicContact CB-CD1 3.61Å; Q160-Y214 HydrophobicContact CB-CD2 4.4Å; Q160-Y214 HydrophobicContact CB-CE1 3.78Å; Q160-Y214 HydrophobicContact CB-CG 3.97Å; Q160-Y214 HydrophobicContact CG-CD1 3.64Å; Q160-Y214 HydrophobicContact CG-CD2 4.45Å; Q160-Y214 HydrophobicContact CG-CE1 4.34Å; Q160-Y214 HydrophobicContact CG-CG 3.73Å; L212-Y214 VanDerWaalsContact C-N 3.27Å; L212-Y214 PolarHBondContact O-N 3.47Å; Y214-L322 HydrophobicContact CD1-CD1 3.55Å; Y214-L322 HydrophobicContact CD1-CD2 3.98Å; Y214-L322 HydrophobicContact CD1-CG 4.36Å; Y214-L322 HydrophobicContact CE1-CD1 3.83Å; Y214-L322 HydrophobicContact CE1-CD2 4.01Å; Y214-M325 WeakPolarHBondContact O-CG 3.47Å; Y214-D421 HydrophobicContact CE1-CB 3.99Å; Y214-D421 PolarHBondContact OH-N 3.24Å; Y214-F422 HydrophobicContact CE1-CB 4.02Å; Y214-F422 PolarHBondContact OH-N 3.21Å
215	P	92.8	Very high	94.5	Very high	17 Å²	17	13.9 Å²	13.9	11%	0.11	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	cis	-87.4	-0.9	14.8	37.7	-40.8	0	0	0	115.6	F402 F422	P215-F402 HydrophobicContact CB-CD2 4.28Å; P215-F402 HydrophobicContact CB-CE2 3.89Å; P215-F402 HydrophobicContact CG-CD2 4.12Å; P215-F402 HydrophobicContact CG-CE2 3.69Å; P215-F402 HydrophobicContact CG-CZ 4.16Å; P215-F422 HydrophobicContact CB-CB 3.98Å; P215-F422 HydrophobicContact CB-CD1 4.3Å; P215-F422 HydrophobicContact CB-CD2 4.44Å; P215-F422 HydrophobicContact CB-CG 4Å; P215-F422 HydrophobicContact CG-CB 4.11Å; P215-F422 HydrophobicContact CG-CD1 3.75Å; P215-F422 HydrophobicContact CG-CD2 3.68Å; P215-F422 HydrophobicContact CG-CE1 4.01Å; P215-F422 HydrophobicContact CG-CE2 3.96Å; P215-F422 HydrophobicContact CG-CG 3.57Å; P215-F422 HydrophobicContact CG-CZ 4.13Å
216	L	94.2	Very high	94.3	Very high	3 Å²	3	14 Å²	14	2%	0.016	7%	0.071	C	C	.	.	S	Bend	trans	-68.6	150.3	179.6	-53	-178.9	0	0	0	111.4	I187 L213 M325 L329 M398 V399 F402	I187-L216 HydrophobicContact CG1-CD1 4.31Å; L213-L216 HydrophobicContact CB-CB 4.47Å; L213-L216 WeakPolarHBondContact O-CA 3.16Å; L213-L216 WeakPolarHBondContact O-CB 3.4Å; L213-L216 PolarHBondContact O-N 2.86Å; L216-M325 HydrophobicContact CD1-CE 4.12Å; L216-L329 HydrophobicContact CD1-CD1 4.3Å; L216-L329 HydrophobicContact CD2-CD1 3.8Å; L216-L329 HydrophobicContact CG-CD1 4.22Å; L216-M398 HydrophobicContact CB-CB 4.22Å; L216-M398 HydrophobicContact CB-SD 4.25Å; L216-M398 HydrophobicContact CD1-CB 4.24Å; L216-V399 HydrophobicContact CD1-CG2 4.07Å; L216-V399 HydrophobicContact CD2-CG2 4.47Å; L216-F402 HydrophobicContact CD2-CB 3.58Å; L216-F402 HydrophobicContact CD2-CD1 4.44Å; L216-F402 HydrophobicContact CD2-CD2 4.4Å; L216-F402 HydrophobicContact CD2-CG 3.89Å
217	I	91.3	Very high	94	Very high	33 Å²	33	14 Å²	14	17%	0.169	7%	0.071	C	C	.	.			trans	-116.1	117.2	178.6	-69.1	175.2	0	0	0	107.3	M1 P219 M398	M1-I217 WeakPolarHBondContact O-CG2 3.45Å; I217-P219 WeakPolarHBondContact O-CD 3.1Å; I217-M398 WeakPolarHBondContact O-CG 3.48Å
218	W	93.1	Very high	93.7	Very high	3 Å²	3	15.9 Å²	15.9	1%	0.011	9%	0.085	C	C	.	.			trans	-61.4	114.4	175.9	-178.2	-96.6	0	0	0	110.8	L186 E189 L210 L213 H220 P239 V241 M398	L186-W218 HydrophobicContact CD2-CE3 4.45Å; L186-W218 HydrophobicContact CD2-CH2 4.24Å; L186-W218 HydrophobicContact CD2-CZ3 4.05Å; L186-W218 WeakPolarHBondContact O-CZ3 3.21Å; E189-W218 HydrophobicContact CG-CZ3 4.38Å; L210-W218 HydrophobicContact CD2-CB 3.94Å; L210-W218 HydrophobicContact CD2-CD2 4.11Å; L210-W218 HydrophobicContact CD2-CG 3.85Å; L213-W218 HydrophobicContact CD1-CB 4.42Å; L213-W218 HydrophobicContact CD1-CE3 4.1Å; W218-H220 AromaticContact CE2-CD2 3.67Å; W218-H220 AromaticContact CH2-CD2 3.7Å; W218-H220 HydrophobicContact CZ2-CB 3.86Å; W218-H220 AromaticContact CZ2-CD2 3.5Å; W218-H220 VanDerWaalsContact CZ2-CD2 3.5Å; W218-H220 WeakPolarHBondContact CZ2-CD2 3.46Å; W218-H220 PolarHBondContact NE1-O 2.85Å; W218-P239 HydrophobicContact CH2-CB 4.19Å; W218-P239 HydrophobicContact CZ2-CB 4.25Å; W218-V241 HydrophobicContact CD2-CG2 4.38Å; W218-V241 HydrophobicContact CH2-CG2 4.2Å; W218-V241 HydrophobicContact CZ2-CG2 3.63Å; W218-M398 HydrophobicContact CB-SD 4.47Å; W218-M398 HydrophobicContact CE3-CE 3.9Å; W218-M398 HydrophobicContact CE3-SD 3.73Å; W218-M398 HydrophobicContact CZ3-CE 4.01Å; W218-M398 HydrophobicContact CZ3-SD 4.43Å
219	P	91.1	Very high	93.4	Very high	34 Å²	34	20.3 Å²	20.3	22%	0.221	11%	0.109	C	C	.	.			trans	-87.2	-17.5	-172.4	34.6	-36.3	0	0	0	112	I217 Q397 M398	I217-P219 WeakPolarHBondContact O-CD 3.1Å; P219-Q397 HydrophobicContact CB-CG 4.21Å; P219-Q397 HydrophobicContact CG-CB 4.08Å; P219-Q397 HydrophobicContact CG-CG 3.86Å; P219-M398 HydrophobicContact CG-CG 4.13Å
220	H	92.1	Very high	93.2	Very high	36 Å²	36	21.1 Å²	21.1	17%	0.167	11%	0.114	C	C	.	.	S	Bend	trans	-87.5	-177.4	-169.8	-43	-78.8	0	0	0	113.3	R5 E189 W218 P239	R5-H220 PolarHBondContact NH1-O 3.22Å; E189-H220 VanDerWaalsContact CD-NE2 3.29Å; E189-H220 IonicContact OE1-NE2 3.23Å; E189-H220 IonicContact OE2-NE2 2.62Å; W218-H220 AromaticContact CE2-CD2 3.67Å; W218-H220 AromaticContact CH2-CD2 3.7Å; W218-H220 HydrophobicContact CZ2-CB 3.86Å; W218-H220 AromaticContact CZ2-CD2 3.5Å; W218-H220 VanDerWaalsContact CZ2-CD2 3.5Å; W218-H220 WeakPolarHBondContact CZ2-CD2 3.46Å; W218-H220 PolarHBondContact NE1-O 2.85Å; H220-P239 HydrophobicContact CB-CB 4.34Å; H220-P239 WeakPolarHBondContact CB-O 3.33Å
221	L	91.8	Very high	93.1	Very high	65 Å²	65	21.3 Å²	21.3	34%	0.34	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	141.3	-177.2	-65	167	0	0	0	111	Y223 F240 V241	L221-Y223 HydrophobicContact CB-CD2 4.49Å; L221-Y223 HydrophobicContact CB-CE2 3.85Å; L221-Y223 HydrophobicContact CD1-CE2 4.35Å; L221-Y223 WeakPolarHBondContact CD1-OH 3.07Å; L221-F240 HydrophobicContact CB-CB 4.23Å; L221-F240 WeakPolarHBondContact O-CA 3.32Å; L221-V241 PolarHBondContact O-N 3.07Å
222	I	93.8	Very high	93.1	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.026	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	114	176.3	-60	166	0	0	0	107.5	F2 I67 L206 L210 V241	F2-I222 HydrophobicContact CE1-CD1 3.53Å; F2-I222 HydrophobicContact CZ-CD1 4.25Å; I67-I222 HydrophobicContact CD1-CG2 3.88Å; L206-I222 HydrophobicContact CD2-CG2 3.86Å; L210-I222 HydrophobicContact CD1-CD1 3.68Å; L210-I222 HydrophobicContact CD1-CG1 4.16Å; L210-I222 HydrophobicContact CD1-CG2 4.44Å; I222-V241 CarbonylContact C-O 3.5Å; I222-V241 VanDerWaalsContact CA-O 3.32Å; I222-V241 WeakPolarHBondContact CA-O 3.11Å
223	Y	93	Very high	93	Very high	50 Å²	50	31.5 Å²	31.5	20%	0.196	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	82	175.2	-56.4	-74	0	0	0	108.6	L221 L225 L226 F240 V241 A242 G243	L221-Y223 HydrophobicContact CB-CD2 4.49Å; L221-Y223 HydrophobicContact CB-CE2 3.85Å; L221-Y223 HydrophobicContact CD1-CE2 4.35Å; L221-Y223 WeakPolarHBondContact CD1-OH 3.07Å; Y223-L225 PolarHBondContact O-N 2.89Å; Y223-L226 HydrophobicContact CD1-CD2 3.88Å; Y223-L226 HydrophobicContact CD2-CD2 4.39Å; Y223-L226 HydrophobicContact CG-CD2 3.75Å; Y223-L226 HydrophobicContact CG-CG 4.19Å; Y223-F240 HydrophobicContact CD2-CD2 4.45Å; Y223-F240 HydrophobicContact CE2-CB 4.44Å; Y223-V241 PolarHBondContact N-O 2.99Å; Y223-A242 HydrophobicContact CD2-CB 4.38Å; Y223-A242 CarbonylContact O-C 3.46Å; Y223-A242 WeakPolarHBondContact O-CA 3.36Å; Y223-G243 PolarHBondContact O-N 3.15Å
224	S	94.4	Very high	93	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.021	16%	0.158	C	C	.	.	S	Bend	trans	-60	-28.1	-169.4	65.8	0	0	0	0	113.6	T65 L66 I67 G243	T65-S224 WeakPolarHBondContact O-CB 3.35Å; T65-S224 PolarHBondContact O-OG 2.83Å; L66-S224 WeakPolarHBondContact CA-OG 3.41Å; I67-S224 PolarHBondContact N-OG 3.16Å; S224-G243 WeakPolarHBondContact O-CA 3.18Å
225	L	94.9	Very high	92.9	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	17%	0.166	C	C	.	.	S	Bend	trans	-143.2	121.3	163.8	-71.6	174.9	0	0	0	110.3	F50 P53 Y64 L66 L199 I202 T203 Y223 G243	F50-L225 VanDerWaalsContact CD1-O 3.32Å; F50-L225 WeakPolarHBondContact CD1-O 3.5Å; P53-L225 HydrophobicContact CG-CB 4.48Å; Y64-L225 HydrophobicContact CD2-CD1 3.57Å; Y64-L225 HydrophobicContact CE2-CD1 4.04Å; Y64-L225 HydrophobicContact CG-CD1 4.3Å; L66-L225 HydrophobicContact CD2-CB 3.86Å; L66-L225 HydrophobicContact CD2-CD1 3.74Å; L66-L225 HydrophobicContact CD2-CG 4.1Å; L199-L225 HydrophobicContact CB-CD1 4.26Å; L199-L225 HydrophobicContact CD1-CD1 4.39Å; L199-L225 HydrophobicContact CD2-CD1 3.96Å; L199-L225 HydrophobicContact CD2-CD2 3.97Å; L199-L225 HydrophobicContact CG-CD1 4.43Å; I202-L225 HydrophobicContact CB-CD2 4.08Å; I202-L225 HydrophobicContact CD1-CD2 3.9Å; I202-L225 HydrophobicContact CG2-CD2 3.81Å; T203-L225 HydrophobicContact CG2-CD1 3.97Å; T203-L225 HydrophobicContact CG2-CD2 4.2Å; T203-L225 HydrophobicContact CG2-CG 3.76Å; Y223-L225 PolarHBondContact O-N 2.89Å; L225-G243 CarbonylContact C-O 3.56Å; L225-G243 WeakPolarHBondContact CA-O 3.5Å
226	L	94.3	Very high	92.9	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.17	C	C	.	.			trans	-90.6	126	173.2	-79.3	173.4	0	0	0	111	Y223 C230 Y233 V234 A242 G243 V244	Y223-L226 HydrophobicContact CD1-CD2 3.88Å; Y223-L226 HydrophobicContact CD2-CD2 4.39Å; Y223-L226 HydrophobicContact CG-CD2 3.75Å; Y223-L226 HydrophobicContact CG-CG 4.19Å; L226-C230 HydrophobicContact CD2-CB 4.21Å; L226-Y233 HydrophobicContact CD2-CD2 4.5Å; L226-V234 HydrophobicContact CD1-CG1 3.55Å; L226-A242 HydrophobicContact CD1-CB 3.82Å; L226-A242 HydrophobicContact CG-CB 4.39Å; L226-G243 PolarHBondContact N-O 3.36Å; L226-V244 HydrophobicContact CB-CG2 4.28Å; L226-V244 HydrophobicContact CD1-CG2 4.34Å
227	P	92.6	Very high	92.8	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	21%	0.205	C	C	.	.			trans	-80.1	163.5	172.4	33.9	-36.9	0	0	0	112.7	N49 F50 P53 N229 C230 I231	N49-P227 HydrophobicContact CB-CB 4.38Å; N49-P227 HydrophobicContact CB-CG 4.33Å; N49-P227 WeakPolarHBondContact O-CB 3.09Å; F50-P227 HydrophobicContact CD1-CG 4.1Å; F50-P227 VanDerWaalsContact CE1-CD 3.47Å; F50-P227 HydrophobicContact CE1-CG 3.93Å; F50-P227 HydrophobicContact CE2-CG 4.4Å; F50-P227 HydrophobicContact CG-CG 4.4Å; F50-P227 HydrophobicContact CZ-CG 4.09Å; P53-P227 HydrophobicContact CB-CB 4.07Å; P53-P227 WeakPolarHBondContact O-CA 3.41Å; P227-N229 VanDerWaalsContact CB-OD1 3.3Å; P227-N229 WeakPolarHBondContact CB-OD1 3.33Å; P227-N229 VanDerWaalsContact CG-OD1 3.26Å; P227-N229 WeakPolarHBondContact CG-OD1 3.26Å; P227-N229 PolarHBondContact O-N 2.94Å; P227-C230 HydrophobicContact CG-CB 3.8Å; P227-C230 CarbonylContact O-C 3.51Å; P227-C230 PolarHBondContact O-N 2.86Å; P227-I231 PolarHBondContact O-N 2.79Å
228	S	90.9	Very high	92.8	Very high	42 Å²	42	39.4 Å²	39.4	29%	0.294	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-56.2	-35.3	-176	-174.3	0	0	0	0	114.2	P53 C230 I231 K251	P53-S228 PolarHBondContact O-N 3.19Å; P53-S228 VanDerWaalsContact O-N 3.14Å; S228-C230 VanDerWaalsContact C-N 3.3Å; S228-I231 WeakPolarHBondContact O-CG2 3.14Å; S228-K251 PolarHBondContact O-NZ 3.32Å; S228-K251 PolarHBondContact OG-NZ 3.43Å; S228-K251 VanDerWaalsContact OG-NZ 3.12Å
229	N	89.5	Confident	92.9	Very high	93 Å²	93	40.7 Å²	40.7	50%	0.497	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-76.1	-16.5	179	64.7	-48.1	0	0	0	113.4	P227	P227-N229 VanDerWaalsContact CB-OD1 3.3Å; P227-N229 WeakPolarHBondContact CB-OD1 3.33Å; P227-N229 VanDerWaalsContact CG-OD1 3.26Å; P227-N229 WeakPolarHBondContact CG-OD1 3.26Å; P227-N229 PolarHBondContact O-N 2.94Å
230	C	92.2	Very high	93.1	Very high	18 Å²	18	39 Å²	39	12%	0.122	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-110.3	12.8	179	-63.9	0	0	0	0	111.6	L226 P227 S228 E232 Y233	L226-C230 HydrophobicContact CD2-CB 4.21Å; P227-C230 HydrophobicContact CG-CB 3.8Å; P227-C230 CarbonylContact O-C 3.51Å; P227-C230 PolarHBondContact O-N 2.86Å; S228-C230 VanDerWaalsContact C-N 3.3Å; C230-E232 PolarHBondContact O-N 3.32Å; C230-Y233 HydrophobicContact CB-CD2 3.72Å; C230-Y233 HydrophobicContact CB-CE2 3.78Å; C230-Y233 WeakPolarHBondContact O-CD2 3.24Å; C230-Y233 PolarHBondContact O-N 2.81Å
231	I	94.6	Very high	93.3	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.031	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-66	-21.8	-173.1	-160.7	59.3	0	0	0	112.7	P227 S228 Y233 V234 V244 L248 K251 M252 L255	P227-I231 PolarHBondContact O-N 2.79Å; S228-I231 WeakPolarHBondContact O-CG2 3.14Å; I231-Y233 PolarHBondContact O-N 2.76Å; I231-V234 HydrophobicContact CD1-CG1 4.28Å; I231-V234 WeakPolarHBondContact O-CG1 3.41Å; I231-V234 WeakPolarHBondContact O-CG2 3.26Å; I231-V234 PolarHBondContact O-N 2.9Å; I231-V244 HydrophobicContact CD1-CG1 3.93Å; I231-V244 HydrophobicContact CD1-CG2 4.22Å; I231-L248 HydrophobicContact CD1-CB 4.23Å; I231-L248 HydrophobicContact CD1-CD1 4.19Å; I231-K251 HydrophobicContact CG2-CD 3.85Å; I231-K251 HydrophobicContact CG2-CG 4.11Å; I231-M252 HydrophobicContact CD1-CB 4.08Å; I231-M252 HydrophobicContact CG1-CB 4.08Å; I231-L255 HydrophobicContact CG2-CD1 3.99Å
232	E	94	Very high	93.6	Very high	126 Å²	126	34.2 Å²	34.2	59%	0.589	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-62.8	-24.2	177.5	62.2	-171.9	-176.3	0	0	114.2	C230 V234 G235	C230-E232 PolarHBondContact O-N 3.32Å; E232-V234 PolarHBondContact O-N 3.05Å; E232-G235 PolarHBondContact O-N 2.89Å
233	Y	93.8	Very high	93.8	Very high	98 Å²	98	34 Å²	34	38%	0.384	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-64.8	-13.6	177.9	-64.9	-61.7	0	0	0	113.6	L226 C230 I231 G235 C236	L226-Y233 HydrophobicContact CD2-CD2 4.5Å; C230-Y233 HydrophobicContact CB-CD2 3.72Å; C230-Y233 HydrophobicContact CB-CE2 3.78Å; C230-Y233 WeakPolarHBondContact O-CD2 3.24Å; C230-Y233 PolarHBondContact O-N 2.81Å; I231-Y233 PolarHBondContact O-N 2.76Å; Y233-G235 PolarHBondContact O-N 3.5Å; Y233-C236 VanDerWaalsContact O-CB 3.25Å; Y233-C236 WeakPolarHBondContact O-CB 3.49Å; Y233-C236 PolarHBondContact O-N 3Å; Y233-C236 VanDerWaalsContact O-N 3.16Å
234	V	94.6	Very high	94	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-66.6	-16.3	172.5	-56.7	0	0	0	0	113.4	I193 L226 I231 E232 C236 F240 M252 L255 L256	I193-V234 HydrophobicContact CD1-CB 3.84Å; I193-V234 HydrophobicContact CD1-CG1 3.98Å; L226-V234 HydrophobicContact CD1-CG1 3.55Å; I231-V234 HydrophobicContact CD1-CG1 4.28Å; I231-V234 WeakPolarHBondContact O-CG1 3.41Å; I231-V234 WeakPolarHBondContact O-CG2 3.26Å; I231-V234 PolarHBondContact O-N 2.9Å; E232-V234 PolarHBondContact O-N 3.05Å; V234-C236 VanDerWaalsContact C-N 3.28Å; V234-F240 HydrophobicContact CB-CZ 4.45Å; V234-F240 VanDerWaalsContact O-CZ 3.26Å; V234-F240 WeakPolarHBondContact O-CZ 3.3Å; V234-M252 HydrophobicContact CB-CG 4.32Å; V234-M252 HydrophobicContact CG1-CG 4.14Å; V234-M252 HydrophobicContact CG2-CG 3.93Å; V234-L255 HydrophobicContact CG2-CB 3.63Å; V234-L255 HydrophobicContact CG2-CD1 4.29Å; V234-L256 HydrophobicContact CB-CD2 4.13Å; V234-L256 HydrophobicContact CG2-CD2 4.06Å
235	G	92.8	Very high	94.1	Very high	27 Å²	27	31.8 Å²	31.8	28%	0.278	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-86.1	7.2	174.1	0	0	0	0	0	113.8	E232 Y233 L255	E232-G235 PolarHBondContact O-N 2.89Å; Y233-G235 PolarHBondContact O-N 3.5Å; G235-L255 WeakPolarHBondContact CA-O 3.46Å
236	C	91.9	Very high	94	Very high	28 Å²	28	33.6 Å²	33.6	19%	0.189	20%	0.195	C	C	.	.			trans	-62.6	127.2	-178.1	-169.5	0	0	0	0	111.2	Y233 V234 T238 F240 I257	Y233-C236 VanDerWaalsContact O-CB 3.25Å; Y233-C236 WeakPolarHBondContact O-CB 3.49Å; Y233-C236 PolarHBondContact O-N 3Å; Y233-C236 VanDerWaalsContact O-N 3.16Å; V234-C236 VanDerWaalsContact C-N 3.28Å; C236-T238 VanDerWaalsContact C-N 3.27Å; C236-T238 PolarHBondContact O-N 2.99Å; C236-T238 PolarHBondContact SG-OG1 3Å; C236-F240 HydrophobicContact CB-CD1 3.92Å; C236-F240 HydrophobicContact CB-CE1 4.03Å; C236-I257 VanDerWaalsContact O-CD1 3.26Å; C236-I257 WeakPolarHBondContact O-CD1 3.43Å
237	P	91.5	Very high	94	Very high	115 Å²	115	36.6 Å²	36.6	75%	0.747	22%	0.216	S	C	*	.	S	Bend	trans	-72.8	-19.3	-178.4	30	-36.2	0	0	0	113.5	I257	P237-I257 HydrophobicContact CB-CD1 4.48Å
238	T	92.4	Very high	94	Very high	74 Å²	74	37.1 Å²	37.1	45%	0.454	22%	0.218	S	C	.	.	S	Bend	trans	-84.6	152.4	176.6	56.9	0	0	0	0	110.1	S191 C236 F240	S191-T238 PolarHBondContact OG-O 3.37Å; C236-T238 VanDerWaalsContact C-N 3.27Å; C236-T238 PolarHBondContact O-N 2.99Å; C236-T238 PolarHBondContact SG-OG1 3Å; T238-F240 WeakPolarHBondContact O-CD1 3.44Å; T238-F240 PolarHBondContact O-N 2.92Å
239	P	94.5	Very high	94.2	Very high	30 Å²	30	37.2 Å²	37.2	20%	0.195	21%	0.214	C	C	.	.			trans	-54.4	140	177.6	-29	37.7	0	0	0	112.8	E189 S191 W218 H220	E189-P239 HydrophobicContact CB-CB 4.4Å; E189-P239 HydrophobicContact CB-CG 4.18Å; E189-P239 WeakPolarHBondContact O-CB 3.39Å; E189-P239 WeakPolarHBondContact O-CG 3.31Å; S191-P239 WeakPolarHBondContact OG-CA 3.4Å; W218-P239 HydrophobicContact CH2-CB 4.19Å; W218-P239 HydrophobicContact CZ2-CB 4.25Å; H220-P239 HydrophobicContact CB-CB 4.34Å; H220-P239 WeakPolarHBondContact CB-O 3.33Å
240	F	95.6	Very high	94.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	160.6	173.5	64.7	-91.3	0	0	0	111.4	S191 V192 I193 L221 Y223 V234 C236 T238 A242	S191-F240 CarbonylContact C-O 3.55Å; S191-F240 WeakPolarHBondContact CA-O 3Å; S191-F240 VanDerWaalsContact OG-CD1 3.31Å; S191-F240 WeakPolarHBondContact OG-CD1 3.47Å; S191-F240 WeakPolarHBondContact OG-CE1 3.45Å; S191-F240 PolarHBondContact OG-N 3.06Å; V192-F240 PolarHBondContact N-O 3.43Å; I193-F240 HydrophobicContact CD1-CE2 3.98Å; I193-F240 HydrophobicContact CD1-CZ 4.04Å; I193-F240 HydrophobicContact CG1-CE2 3.69Å; I193-F240 HydrophobicContact CG1-CZ 4.15Å; L221-F240 HydrophobicContact CB-CB 4.23Å; L221-F240 WeakPolarHBondContact O-CA 3.32Å; Y223-F240 HydrophobicContact CD2-CD2 4.45Å; Y223-F240 HydrophobicContact CE2-CB 4.44Å; V234-F240 HydrophobicContact CB-CZ 4.45Å; V234-F240 VanDerWaalsContact O-CZ 3.26Å; V234-F240 WeakPolarHBondContact O-CZ 3.3Å; C236-F240 HydrophobicContact CB-CD1 3.92Å; C236-F240 HydrophobicContact CB-CE1 4.03Å; T238-F240 WeakPolarHBondContact O-CD1 3.44Å; T238-F240 PolarHBondContact O-N 2.92Å; F240-A242 HydrophobicContact CD2-CB 3.86Å; F240-A242 HydrophobicContact CE2-CB 3.89Å
241	V	97.3	Very high	94.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.6	167.4	-176.8	0	0	0	0	109.1	L186 V192 F194 L206 L210 W218 L221 I222 Y223	L186-V241 HydrophobicContact CD2-CG2 3.56Å; V192-V241 CarbonylContact O-C 3.53Å; V192-V241 VanDerWaalsContact O-CA 3.31Å; V192-V241 WeakPolarHBondContact O-CA 3.32Å; F194-V241 HydrophobicContact CD2-CG1 4.01Å; F194-V241 HydrophobicContact CE2-CG1 3.72Å; L206-V241 HydrophobicContact CD1-CG1 3.72Å; L206-V241 HydrophobicContact CD2-CG1 4.31Å; L206-V241 HydrophobicContact CG-CG1 3.6Å; L210-V241 HydrophobicContact CD2-CG2 4.1Å; W218-V241 HydrophobicContact CD2-CG2 4.38Å; W218-V241 HydrophobicContact CH2-CG2 4.2Å; W218-V241 HydrophobicContact CZ2-CG2 3.63Å; L221-V241 PolarHBondContact O-N 3.07Å; I222-V241 CarbonylContact C-O 3.5Å; I222-V241 VanDerWaalsContact CA-O 3.32Å; I222-V241 WeakPolarHBondContact CA-O 3.11Å; Y223-V241 PolarHBondContact N-O 2.99Å
242	A	97.4	Very high	94.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	151.8	-177.8	0	0	0	0	0	113.1	V192 I193 F194 Y223 L226 F240	V192-A242 PolarHBondContact O-N 2.75Å; I193-A242 CarbonylContact C-O 3.51Å; I193-A242 WeakPolarHBondContact CA-O 3.44Å; I193-A242 HydrophobicContact CG1-CB 4.39Å; F194-A242 PolarHBondContact N-O 3.17Å; Y223-A242 HydrophobicContact CD2-CB 4.38Å; Y223-A242 CarbonylContact O-C 3.46Å; Y223-A242 WeakPolarHBondContact O-CA 3.36Å; L226-A242 HydrophobicContact CD1-CB 3.82Å; L226-A242 HydrophobicContact CG-CB 4.39Å; F240-A242 HydrophobicContact CD2-CB 3.86Å; F240-A242 HydrophobicContact CE2-CB 3.89Å
243	G	97.8	Very high	94.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.3	168.6	0	0	0	0	0	111.2	F194 Y223 S224 L225 L226	F194-G243 CarbonylContact O-C 3.55Å; F194-G243 VanDerWaalsContact O-CA 3.3Å; F194-G243 WeakPolarHBondContact O-CA 3.23Å; Y223-G243 PolarHBondContact O-N 3.15Å; S224-G243 WeakPolarHBondContact O-CA 3.18Å; L225-G243 CarbonylContact C-O 3.56Å; L225-G243 WeakPolarHBondContact CA-O 3.5Å; L226-G243 PolarHBondContact N-O 3.36Å
244	V	96.9	Very high	94.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	131.5	-178	-179.9	0	0	0	0	109.6	I193 F194 Y195 S196 I202 L226 I231 L248 M252	I193-V244 HydrophobicContact CG2-CB 4.33Å; I193-V244 HydrophobicContact CG2-CG2 3.76Å; F194-V244 PolarHBondContact O-N 2.81Å; Y195-V244 WeakPolarHBondContact CA-O 3.48Å; Y195-V244 WeakPolarHBondContact CB-O 3.5Å; S196-V244 PolarHBondContact N-O 3.25Å; I202-V244 WeakPolarHBondContact CD1-O 3.48Å; L226-V244 HydrophobicContact CB-CG2 4.28Å; L226-V244 HydrophobicContact CD1-CG2 4.34Å; I231-V244 HydrophobicContact CD1-CG1 3.93Å; I231-V244 HydrophobicContact CD1-CG2 4.22Å; V244-L248 HydrophobicContact CG1-CB 3.78Å; V244-L248 HydrophobicContact CG1-CD1 4.47Å; V244-M252 HydrophobicContact CB-SD 4.32Å; V244-M252 HydrophobicContact CG1-SD 4.22Å; V244-M252 HydrophobicContact CG2-SD 4.08Å
245	H	95.8	Very high	94.3	Very high	7 Å²	7	43.9 Å²	43.9	3%	0.032	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	141.7	173	-172.8	-85.4	0	0	0	110.6	C54 H56 S196 S197 L199 C247 L248	C54-H245 PolarHBondContact SG-ND1 3.29Å; H56-H245 AromaticContact CD2-CE1 3.73Å; H56-H245 AromaticContact CD2-NE2 3.49Å; H56-H245 PolarHBondContact CD2-NE2 2.89Å; H56-H245 AromaticContact CG-CE1 3.68Å; H56-H245 AromaticContact CG-NE2 3.83Å; S196-H245 CarbonylContact O-C 3.59Å; S196-H245 WeakPolarHBondContact O-CA 3.46Å; S197-H245 PolarHBondContact O-NE2 3.05Å; L199-H245 HydrophobicContact CD2-CB 4.39Å; H245-C247 VanDerWaalsContact ND1-CB 3.31Å; H245-C247 WeakPolarHBondContact ND1-CB 3.33Å; H245-C247 PolarHBondContact ND1-N 3.18Å; H245-C247 VanDerWaalsContact ND1-N 3.16Å; H245-C247 PolarHBondContact ND1-SG 3.42Å; H245-C247 PolarHBondContact O-N 3.07Å; H245-L248 PolarHBondContact O-N 2.8Å
246	S	94.6	Very high	94.3	Very high	39 Å²	39	43.1 Å²	43.1	27%	0.273	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-58	-26.7	-174.2	61.2	0	0	0	0	114.1	S196 S197 L248 K249	S196-S246 PolarHBondContact O-N 2.6Å; S197-S246 WeakPolarHBondContact CA-OG 3.4Å; S246-L248 PolarHBondContact O-N 2.8Å; S246-L248 VanDerWaalsContact O-N 3.16Å; S246-K249 WeakPolarHBondContact O-CB 3.37Å; S246-K249 PolarHBondContact O-N 3.18Å
247	C	93	Very high	94.2	Very high	65 Å²	65	44.5 Å²	44.5	44%	0.439	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-51.9	-31	170.1	66.6	0	0	0	0	113.3	C54 H245	C54-C247 HydrophobicContact CB-CB 4.3Å; C54-C247 WeakPolarHBondContact CB-SG 3.27Å; C54-C247 WeakPolarHBondContact SG-CB 3.27Å; C54-C247 CovalentContact SG-SG 2.05Å; C54-C247 PolarHBondContact SG-SG 3.32Å; H245-C247 VanDerWaalsContact ND1-CB 3.31Å; H245-C247 WeakPolarHBondContact ND1-CB 3.33Å; H245-C247 PolarHBondContact ND1-N 3.18Å; H245-C247 VanDerWaalsContact ND1-N 3.16Å; H245-C247 PolarHBondContact ND1-SG 3.42Å; H245-C247 PolarHBondContact O-N 3.07Å
248	L	94	Very high	94.1	Very high	12 Å²	12	43.7 Å²	43.7	6%	0.063	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-95.8	0	-178.1	-59.7	-179.9	0	0	0	112.7	C54 I231 V244 H245 S246 E250 K251 M252	C54-L248 HydrophobicContact CB-CD1 4.41Å; C54-L248 HydrophobicContact CB-CD2 4.09Å; C54-L248 HydrophobicContact CB-CG 4.13Å; I231-L248 HydrophobicContact CD1-CB 4.23Å; I231-L248 HydrophobicContact CD1-CD1 4.19Å; V244-L248 HydrophobicContact CG1-CB 3.78Å; V244-L248 HydrophobicContact CG1-CD1 4.47Å; H245-L248 PolarHBondContact O-N 2.8Å; S246-L248 PolarHBondContact O-N 2.8Å; S246-L248 VanDerWaalsContact O-N 3.16Å; L248-E250 VanDerWaalsContact C-N 3.35Å; L248-E250 PolarHBondContact O-N 2.93Å; L248-K251 PolarHBondContact O-N 3.49Å; L248-K251 VanDerWaalsContact O-N 3.11Å; L248-M252 WeakPolarHBondContact O-CB 3.11Å; L248-M252 PolarHBondContact O-N 3.05Å
249	K	93.4	Very high	93.9	Very high	44 Å²	44	41 Å²	41	19%	0.191	23%	0.227	C	C	.	.	H	α-helix	trans	-53.7	-48.9	-175.9	178.4	-177.5	179.3	168.3	0	112.1	Y195 S246 K251 M252 K253	Y195-K249 HydrophobicContact CD2-CD 4.26Å; Y195-K249 HydrophobicContact CE2-CD 3.61Å; Y195-K249 HydrophobicContact CE2-CG 4.32Å; Y195-K249 VanDerWaalsContact OH-CE 3.3Å; Y195-K249 WeakPolarHBondContact OH-CE 3.11Å; Y195-K249 PolarHBondContact OH-NZ 3.5Å; S246-K249 WeakPolarHBondContact O-CB 3.37Å; S246-K249 PolarHBondContact O-N 3.18Å; K249-K251 VanDerWaalsContact C-N 3.32Å; K249-K251 PolarHBondContact O-N 2.89Å; K249-M252 HydrophobicContact CG-CE 4.48Å; K249-M252 PolarHBondContact O-N 3.42Å; K249-K253 WeakPolarHBondContact O-CG 3.31Å; K249-K253 PolarHBondContact O-N 2.92Å
250	E	93.2	Very high	93.9	Very high	123 Å²	123	39.6 Å²	39.6	58%	0.575	22%	0.218	S	C	*	.	H	α-helix	trans	-68.2	-32.6	-178.1	-58.7	-50.6	133.8	0	0	112.4	L248 K253 P254	L248-E250 VanDerWaalsContact C-N 3.35Å; L248-E250 PolarHBondContact O-N 2.93Å; E250-K253 WeakPolarHBondContact OE1-CE 3.13Å; E250-K253 IonicContact OE1-NZ 2.72Å; E250-K253 PolarHBondContact OE1-NZ 3.25Å; E250-K253 IonicContact OE2-NZ 3.2Å; E250-K253 PolarHBondContact OE2-NZ 3.18Å; E250-P254 VanDerWaalsContact O-CD 3.24Å; E250-P254 WeakPolarHBondContact O-CD 3.4Å
251	K	93.2	Very high	93.8	Very high	104 Å²	104	40.7 Å²	40.7	45%	0.452	22%	0.222	S	C	.	.	H	α-helix	trans	-70.6	-34.5	174.6	-168.9	-179.7	-178.5	-166.3	0	112.1	S228 I231 L248 K249 P254	S228-K251 PolarHBondContact O-NZ 3.32Å; S228-K251 PolarHBondContact OG-NZ 3.43Å; S228-K251 VanDerWaalsContact OG-NZ 3.12Å; I231-K251 HydrophobicContact CG2-CD 3.85Å; I231-K251 HydrophobicContact CG2-CG 4.11Å; L248-K251 PolarHBondContact O-N 3.49Å; L248-K251 VanDerWaalsContact O-N 3.11Å; K249-K251 VanDerWaalsContact C-N 3.32Å; K249-K251 PolarHBondContact O-N 2.89Å; K251-P254 WeakPolarHBondContact O-CD 3.2Å
252	M	94.4	Very high	93.8	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-76.4	-41.8	-178.9	171.8	-161.8	70.7	0	0	112.9	I193 I231 V234 V244 L248 K249 P254 L255 L256 L262	I193-M252 HydrophobicContact CD1-SD 4.23Å; I193-M252 HydrophobicContact CG2-SD 3.82Å; I231-M252 HydrophobicContact CD1-CB 4.08Å; I231-M252 HydrophobicContact CG1-CB 4.08Å; V234-M252 HydrophobicContact CB-CG 4.32Å; V234-M252 HydrophobicContact CG1-CG 4.14Å; V234-M252 HydrophobicContact CG2-CG 3.93Å; V244-M252 HydrophobicContact CB-SD 4.32Å; V244-M252 HydrophobicContact CG1-SD 4.22Å; V244-M252 HydrophobicContact CG2-SD 4.08Å; L248-M252 WeakPolarHBondContact O-CB 3.11Å; L248-M252 PolarHBondContact O-N 3.05Å; K249-M252 HydrophobicContact CG-CE 4.48Å; K249-M252 PolarHBondContact O-N 3.42Å; M252-P254 VanDerWaalsContact C-CD 3.47Å; M252-L255 WeakPolarHBondContact O-CB 3.26Å; M252-L255 PolarHBondContact O-N 2.89Å; M252-L256 HydrophobicContact CE-CD1 4.25Å; M252-L256 HydrophobicContact CG-CD2 3.82Å; M252-L256 HydrophobicContact CG-CG 4.26Å; M252-L256 HydrophobicContact SD-CD2 4.33Å; M252-L262 HydrophobicContact CE-CD1 3.44Å; M252-L262 VanDerWaalsContact CE-CD1 3.44Å; M252-L262 HydrophobicContact CE-CD2 4.03Å; M252-L262 HydrophobicContact CE-CG 4.4Å; M252-L262 HydrophobicContact SD-CD1 4.15Å
253	K	92.5	Very high	93.8	Very high	81 Å²	81	41 Å²	41	35%	0.352	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-44.1	-49.9	-176.6	-82.3	178.8	-169.6	165.4	0	115.6	K249 E250 L255 L256	K249-K253 WeakPolarHBondContact O-CG 3.31Å; K249-K253 PolarHBondContact O-N 2.92Å; E250-K253 WeakPolarHBondContact OE1-CE 3.13Å; E250-K253 IonicContact OE1-NZ 2.72Å; E250-K253 PolarHBondContact OE1-NZ 3.25Å; E250-K253 IonicContact OE2-NZ 3.2Å; E250-K253 PolarHBondContact OE2-NZ 3.18Å; K253-L255 PolarHBondContact O-N 3.38Å; K253-L256 PolarHBondContact O-N 2.98Å
254	P	93.1	Very high	93.8	Very high	105 Å²	105	41.1 Å²	41.1	68%	0.682	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-69.4	-14.7	-178.1	27.2	-35.9	0	0	0	113.9	E250 K251 M252	E250-P254 VanDerWaalsContact O-CD 3.24Å; E250-P254 WeakPolarHBondContact O-CD 3.4Å; K251-P254 WeakPolarHBondContact O-CD 3.2Å; M252-P254 VanDerWaalsContact C-CD 3.47Å
255	L	94.7	Very high	93.9	Very high	67 Å²	67	41.1 Å²	41.1	35%	0.351	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-91.8	-10.4	-178.2	-54.3	171.2	0	0	0	112.4	I231 V234 G235 M252 K253 I257	I231-L255 HydrophobicContact CG2-CD1 3.99Å; V234-L255 HydrophobicContact CG2-CB 3.63Å; V234-L255 HydrophobicContact CG2-CD1 4.29Å; G235-L255 WeakPolarHBondContact CA-O 3.46Å; M252-L255 WeakPolarHBondContact O-CB 3.26Å; M252-L255 PolarHBondContact O-N 2.89Å; K253-L255 PolarHBondContact O-N 3.38Å; L255-I257 PolarHBondContact O-N 2.96Å
256	L	92.9	Very high	93.9	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.063	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-75.7	125.3	-175.2	-60	179.1	0	0	0	111.4	I193 V234 M252 K253 V260 L262 W557	I193-L256 HydrophobicContact CD1-CD2 3.41Å; I193-L256 VanDerWaalsContact CD1-CD2 3.41Å; V234-L256 HydrophobicContact CB-CD2 4.13Å; V234-L256 HydrophobicContact CG2-CD2 4.06Å; M252-L256 HydrophobicContact CE-CD1 4.25Å; M252-L256 HydrophobicContact CG-CD2 3.82Å; M252-L256 HydrophobicContact CG-CG 4.26Å; M252-L256 HydrophobicContact SD-CD2 4.33Å; K253-L256 PolarHBondContact O-N 2.98Å; L256-V260 HydrophobicContact CD2-CG1 4.35Å; L256-L262 HydrophobicContact CD1-CD2 4.22Å; L256-W557 HydrophobicContact CB-CH2 4.04Å; L256-W557 HydrophobicContact CB-CZ2 3.44Å; L256-W557 VanDerWaalsContact CB-CZ2 3.44Å; L256-W557 HydrophobicContact CD1-CH2 3.75Å; L256-W557 HydrophobicContact CD1-CZ2 3.49Å; L256-W557 VanDerWaalsContact CD1-CZ2 3.49Å; L256-W557 HydrophobicContact CG-CH2 4.48Å; L256-W557 HydrophobicContact CG-CZ2 4.11Å
257	I	90.5	Very high	93.9	Very high	57 Å²	57	45.8 Å²	45.8	29%	0.292	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-85.1	156.8	173.4	47.6	168.4	0	0	0	112.2	C236 P237 L255 V260	C236-I257 VanDerWaalsContact O-CD1 3.26Å; C236-I257 WeakPolarHBondContact O-CD1 3.43Å; P237-I257 HydrophobicContact CB-CD1 4.48Å; L255-I257 PolarHBondContact O-N 2.96Å; I257-V260 HydrophobicContact CG1-CG2 3.73Å; I257-V260 WeakPolarHBondContact O-CG2 3.25Å; I257-V260 PolarHBondContact O-N 3.38Å
258	P	88.9	Confident	94	Very high	98 Å²	98	43.6 Å²	43.6	64%	0.636	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	144.6	174.1	-25.4	35.1	0	0	0	112.8	T273	P258-T273 WeakPolarHBondContact CA-OG1 3.48Å
259	G	88.4	Confident	94.1	Very high	16 Å²	16	43.8 Å²	43.8	17%	0.165	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.3	-23.1	180	0	0	0	0	0	114.8	T273	G259-T273 PolarHBondContact N-OG1 3.11Å
260	V	93.7	Very high	94.1	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.012	22%	0.219	C	C	.	.			trans	-62.8	137.9	174.4	178.7	0	0	0	0	110.3	I193 L256 I257 W557	I193-V260 HydrophobicContact CD1-CG1 3.71Å; I193-V260 HydrophobicContact CG1-CG1 3.97Å; L256-V260 HydrophobicContact CD2-CG1 4.35Å; I257-V260 HydrophobicContact CG1-CG2 3.73Å; I257-V260 WeakPolarHBondContact O-CG2 3.25Å; I257-V260 PolarHBondContact O-N 3.38Å; V260-W557 HydrophobicContact CB-CH2 4.22Å; V260-W557 WeakPolarHBondContact O-CH2 3.24Å; V260-W557 VanDerWaalsContact O-CZ3 3.27Å; V260-W557 WeakPolarHBondContact O-CZ3 3.27Å
261	R	95.1	Very high	94.2	Very high	22 Å²	22	38.7 Å²	38.7	8%	0.083	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126	174.3	-61.8	-69.2	-175.8	-121.3	9.9	109.5	S185 S191 V192 I193 Y271 D275 L560	S185-R261 WeakPolarHBondContact OG-CG 3.33Å; S191-R261 PolarHBondContact O-N 3.26Å; V192-R261 CarbonylContact C-O 3.56Å; V192-R261 WeakPolarHBondContact CA-O 3.5Å; V192-R261 HydrophobicContact CG1-CB 4.46Å; V192-R261 HydrophobicContact CG2-CB 4.23Å; I193-R261 PolarHBondContact N-O 3.13Å; R261-Y271 WeakPolarHBondContact CA-O 3.49Å; R261-D275 PolarHBondContact NH2-O 3.46Å; R261-L560 VanDerWaalsContact CZ-CD1 3.45Å
262	L	96.7	Very high	94.1	Very high	8 Å²	8	33.9 Å²	33.9	4%	0.042	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	114.5	-178.8	179.9	66.9	0	0	0	109.5	I193 Y195 M252 L256 Y271 W557	I193-L262 HydrophobicContact CB-CD1 4Å; I193-L262 HydrophobicContact CG2-CD1 3.99Å; Y195-L262 HydrophobicContact CD1-CD1 3.46Å; Y195-L262 VanDerWaalsContact CD1-CD1 3.46Å; Y195-L262 HydrophobicContact CD1-CG 3.91Å; Y195-L262 HydrophobicContact CE1-CD1 3.68Å; Y195-L262 HydrophobicContact CE1-CD2 3.99Å; Y195-L262 HydrophobicContact CE1-CG 3.57Å; Y195-L262 HydrophobicContact CG-CD1 4.49Å; M252-L262 HydrophobicContact CE-CD1 3.44Å; M252-L262 VanDerWaalsContact CE-CD1 3.44Å; M252-L262 HydrophobicContact CE-CD2 4.03Å; M252-L262 HydrophobicContact CE-CG 4.4Å; M252-L262 HydrophobicContact SD-CD1 4.15Å; L256-L262 HydrophobicContact CD1-CD2 4.22Å; L262-Y271 HydrophobicContact CD2-CD2 4.5Å; L262-Y271 PolarHBondContact N-O 2.9Å; L262-Y271 PolarHBondContact O-N 2.83Å; L262-W557 HydrophobicContact CB-CE3 4.44Å; L262-W557 HydrophobicContact CB-CZ3 3.95Å
263	V	97.8	Very high	93.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	107.6	-173.7	-174.7	0	0	0	0	110	L174 I182 V192 I193 F194 Y195 L265 V270	L174-V263 HydrophobicContact CD1-CG1 4.03Å; I182-V263 HydrophobicContact CD1-CG1 3.79Å; I182-V263 HydrophobicContact CD1-CG2 4.06Å; I182-V263 HydrophobicContact CG1-CG2 3.92Å; V192-V263 HydrophobicContact CG1-CG2 3.68Å; I193-V263 PolarHBondContact O-N 2.92Å; F194-V263 HydrophobicContact CD1-CB 3.8Å; F194-V263 HydrophobicContact CD1-CG1 3.82Å; F194-V263 HydrophobicContact CD1-CG2 4.16Å; F194-V263 HydrophobicContact CE1-CB 4.17Å; F194-V263 HydrophobicContact CE1-CG1 4.03Å; F194-V263 HydrophobicContact CE1-CG2 4.1Å; F194-V263 HydrophobicContact CG-CB 4.47Å; Y195-V263 WeakPolarHBondContact CD1-O 3.34Å; Y195-V263 PolarHBondContact N-O 2.93Å; V263-L265 HydrophobicContact CG1-CD2 3.81Å; V263-L265 HydrophobicContact CG1-CG 4.41Å; V263-L265 PolarHBondContact O-N 3.47Å; V263-V270 HydrophobicContact CG1-CG2 4.29Å; V263-V270 HydrophobicContact CG2-CG1 4.32Å; V263-V270 HydrophobicContact CG2-CG2 4.29Å
264	D	97.5	Very high	92.1	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.011	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	101	171.4	-168.1	-29.3	0	0	0	109.9	Y195 D266 H267 D268 V269 Y271	Y195-D264 HydrophobicContact CE1-CB 3.61Å; Y195-D264 HydrophobicContact CE2-CB 4.14Å; Y195-D264 VanDerWaalsContact CZ-CG 3.44Å; Y195-D264 VanDerWaalsContact OH-CB 3.26Å; Y195-D264 WeakPolarHBondContact OH-CB 3.25Å; Y195-D264 VanDerWaalsContact OH-CG 3.25Å; Y195-D264 PolarHBondContact OH-OD2 3.29Å; D264-D266 VanDerWaalsContact C-N 3.3Å; D264-D266 PolarHBondContact OD1-N 3.3Å; D264-H267 VanDerWaalsContact CG-ND1 3.3Å; D264-H267 IonicContact OD1-CG 3.89Å; D264-H267 PolarHBondContact OD1-N 3.12Å; D264-H267 IonicContact OD1-ND1 3.77Å; D264-H267 PolarHBondContact OD1-ND1 2.95Å; D264-H267 IonicContact OD2-CE1 3.19Å; D264-H267 IonicContact OD2-CG 2.79Å; D264-H267 IonicContact OD2-ND1 2.7Å; D264-H267 PolarHBondContact OD2-ND1 3.05Å; D264-D268 WeakPolarHBondContact O-CA 3.44Å; D264-D268 PolarHBondContact O-N 3.38Å; D264-V269 HydrophobicContact CB-CB 4.29Å; D264-V269 WeakPolarHBondContact CB-O 3.37Å; D264-V269 PolarHBondContact N-O 2.78Å; D264-V269 PolarHBondContact O-N 3.01Å; D264-V269 VanDerWaalsContact O-N 3.16Å; D264-Y271 HydrophobicContact CB-CE2 3.92Å
265	L	97.7	Very high	90.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-21.5	-178.9	-64.2	177.3	0	0	0	112.5	T173 L174 F194 Y195 R201 I202 C205 V263 R573	T173-L265 HydrophobicContact CG2-CB 3.83Å; T173-L265 HydrophobicContact CG2-CD2 3.89Å; T173-L265 HydrophobicContact CG2-CG 4.44Å; T173-L265 VanDerWaalsContact CG2-O 3.23Å; T173-L265 WeakPolarHBondContact CG2-O 3.36Å; L174-L265 HydrophobicContact CD1-CD2 3.88Å; L174-L265 HydrophobicContact CD2-CD2 3.99Å; L174-L265 HydrophobicContact CG-CD2 3.99Å; F194-L265 HydrophobicContact CB-CD1 4.04Å; F194-L265 HydrophobicContact CD1-CD1 4.27Å; F194-L265 HydrophobicContact CD1-CD2 3.94Å; F194-L265 HydrophobicContact CD1-CG 4.34Å; Y195-L265 WeakPolarHBondContact O-CB 3.38Å; Y195-L265 PolarHBondContact O-N 3.47Å; R201-L265 HydrophobicContact CG-CB 4.13Å; R201-L265 HydrophobicContact CG-CD1 4.12Å; I202-L265 HydrophobicContact CG1-CD1 4.33Å; C205-L265 HydrophobicContact CB-CD1 3.91Å; C205-L265 HydrophobicContact CB-CD2 3.84Å; V263-L265 HydrophobicContact CG1-CD2 3.81Å; V263-L265 HydrophobicContact CG1-CG 4.41Å; V263-L265 PolarHBondContact O-N 3.47Å; L265-R573 PolarHBondContact O-NH2 3.29Å
266	D	95.7	Very high	89.2	Confident	28 Å²	28	36 Å²	36	15%	0.15	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-35.1	-179.3	-73.5	-29.1	0	0	0	111.4	S196 S197 R201 D264 R573	S196-D266 WeakPolarHBondContact CA-OD2 3.34Å; S196-D266 PolarHBondContact OG-OD1 3.2Å; S196-D266 VanDerWaalsContact OG-OD1 3.12Å; S197-D266 WeakPolarHBondContact CB-OD2 3.47Å; S197-D266 PolarHBondContact N-OD2 3.07Å; S197-D266 PolarHBondContact OG-OD1 2.95Å; S197-D266 PolarHBondContact OG-OD2 2.95Å; R201-D266 IonicContact CZ-OD1 3.21Å; R201-D266 IonicContact NH1-OD1 3.45Å; R201-D266 PolarHBondContact NH1-OD1 3.14Å; D264-D266 VanDerWaalsContact C-N 3.3Å; D264-D266 PolarHBondContact OD1-N 3.3Å; D266-R573 PolarHBondContact O-NH1 2.72Å; D266-R573 PolarHBondContact O-NH2 2.89Å
267	H	95.2	Very high	88.2	Confident	116 Å²	116	36.8 Å²	36.8	54%	0.537	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-0.9	-177.9	-56.8	87.2	0	0	0	114.4	D264 V269 R569	D264-H267 VanDerWaalsContact CG-ND1 3.3Å; D264-H267 IonicContact OD1-CG 3.89Å; D264-H267 PolarHBondContact OD1-N 3.12Å; D264-H267 IonicContact OD1-ND1 3.77Å; D264-H267 PolarHBondContact OD1-ND1 2.95Å; D264-H267 IonicContact OD2-CE1 3.19Å; D264-H267 IonicContact OD2-CG 2.79Å; D264-H267 IonicContact OD2-ND1 2.7Å; D264-H267 PolarHBondContact OD2-ND1 3.05Å; H267-V269 HydrophobicContact CB-CG2 4.16Å; H267-R569 PolarHBondContact O-NH2 3.49Å
268	D	95.6	Very high	87.8	Confident	19 Å²	19	37.6 Å²	37.6	10%	0.102	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	56.3	-176	-174.3	31.7	0	0	0	111.1	L174 S175 N178 D264 R569 R576	L174-D268 VanDerWaalsContact CA-OD1 3.27Å; L174-D268 WeakPolarHBondContact CA-OD1 3.08Å; L174-D268 HydrophobicContact CD2-CB 4.21Å; L174-D268 VanDerWaalsContact CD2-OD1 3.26Å; L174-D268 WeakPolarHBondContact CD2-OD1 3.45Å; S175-D268 WeakPolarHBondContact CB-OD2 3.37Å; S175-D268 VanDerWaalsContact N-CG 3.33Å; S175-D268 PolarHBondContact N-OD1 3.34Å; S175-D268 PolarHBondContact N-OD2 2.98Å; S175-D268 PolarHBondContact OG-OD1 3.21Å; S175-D268 PolarHBondContact OG-OD2 3.38Å; S175-D268 VanDerWaalsContact OG-OD2 3.14Å; N178-D268 PolarHBondContact ND2-O 2.93Å; N178-D268 PolarHBondContact ND2-OD1 3.45Å; D264-D268 WeakPolarHBondContact O-CA 3.44Å; D264-D268 PolarHBondContact O-N 3.38Å; D268-R569 PolarHBondContact O-NH2 3Å; D268-R576 IonicContact OD2-NH1 3.73Å
269	V	95.5	Very high	87.7	Confident	15 Å²	15	36.3 Å²	36.3	9%	0.091	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	134.5	178	-175.2	0	0	0	0	110.4	D264 H267 Y271 P559 S561	D264-V269 HydrophobicContact CB-CB 4.29Å; D264-V269 WeakPolarHBondContact CB-O 3.37Å; D264-V269 PolarHBondContact N-O 2.78Å; D264-V269 PolarHBondContact O-N 3.01Å; D264-V269 VanDerWaalsContact O-N 3.16Å; H267-V269 HydrophobicContact CB-CG2 4.16Å; V269-Y271 HydrophobicContact CB-CE2 3.93Å; V269-Y271 HydrophobicContact CG1-CD1 4.22Å; V269-Y271 HydrophobicContact CG1-CD2 4.1Å; V269-Y271 HydrophobicContact CG1-CE1 3.8Å; V269-Y271 HydrophobicContact CG1-CE2 3.65Å; V269-Y271 HydrophobicContact CG1-CG 4.36Å; V269-Y271 VanDerWaalsContact CG1-CZ 3.49Å; V269-P559 HydrophobicContact CG1-CB 4.07Å; V269-S561 WeakPolarHBondContact CA-OG 3.31Å
270	V	94.8	Very high	87.7	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123.1	169.4	-176.2	0	0	0	0	108.4	N178 V181 I182 V263 P559 L560 S561	N178-V270 HydrophobicContact CB-CG2 3.95Å; V181-V270 HydrophobicContact CG1-CB 4.24Å; V181-V270 HydrophobicContact CG1-CG1 3.87Å; I182-V270 HydrophobicContact CD1-CG2 4.24Å; I182-V270 HydrophobicContact CG1-CG2 4.09Å; V263-V270 HydrophobicContact CG1-CG2 4.29Å; V263-V270 HydrophobicContact CG2-CG1 4.32Å; V263-V270 HydrophobicContact CG2-CG2 4.29Å; V270-P559 CarbonylContact O-C 3.57Å; V270-L560 PolarHBondContact O-N 2.94Å; V270-S561 PolarHBondContact N-OG 3.05Å
271	Y	94.4	Very high	87.6	Confident	61 Å²	61	36.8 Å²	36.8	24%	0.239	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	149.7	174.5	-54.2	-91	0	0	0	110.5	R261 L262 D264 V269 Q558	R261-Y271 WeakPolarHBondContact CA-O 3.49Å; L262-Y271 HydrophobicContact CD2-CD2 4.5Å; L262-Y271 PolarHBondContact N-O 2.9Å; L262-Y271 PolarHBondContact O-N 2.83Å; D264-Y271 HydrophobicContact CB-CE2 3.92Å; V269-Y271 HydrophobicContact CB-CE2 3.93Å; V269-Y271 HydrophobicContact CG1-CD1 4.22Å; V269-Y271 HydrophobicContact CG1-CD2 4.1Å; V269-Y271 HydrophobicContact CG1-CE1 3.8Å; V269-Y271 HydrophobicContact CG1-CE2 3.65Å; V269-Y271 HydrophobicContact CG1-CG 4.36Å; V269-Y271 VanDerWaalsContact CG1-CZ 3.49Å; Y271-Q558 WeakPolarHBondContact CA-O 3.41Å
272	G	90.5	Very high	87.2	Confident	2 Å²	2	39.1 Å²	39.1	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	174.5	170.4	0	0	0	0	0	112.1	Q558	G272-Q558 PolarHBondContact N-O 2.88Å; G272-Q558 PolarHBondContact O-N 2.88Å
273	T	83.2	Confident	86.7	Confident	6 Å²	6	40.9 Å²	40.9	4%	0.037	25%	0.254	C	S	.	.			trans	-127.7	136.5	-175.8	49.9	0	0	0	0	110	P258 G259 D275 P555 W557	P258-T273 WeakPolarHBondContact CA-OG1 3.48Å; G259-T273 PolarHBondContact N-OG1 3.11Å; T273-D275 PolarHBondContact O-N 3.21Å; T273-P555 HydrophobicContact CG2-CB 3.81Å; T273-P555 HydrophobicContact CG2-CG 4.4Å; T273-W557 HydrophobicContact CG2-CD2 3.47Å; T273-W557 VanDerWaalsContact CG2-CD2 3.47Å; T273-W557 VanDerWaalsContact CG2-CE2 3.49Å; T273-W557 HydrophobicContact CG2-CE3 3.71Å; T273-W557 HydrophobicContact CG2-CG 3.92Å; T273-W557 HydrophobicContact CG2-CH2 3.98Å; T273-W557 HydrophobicContact CG2-CZ2 3.72Å; T273-W557 HydrophobicContact CG2-CZ3 3.99Å
274	G	63.3	Low	86.3	Confident	88 Å²	88	40.9 Å²	40.9	91%	0.907	25%	0.254	S	S	*	.	S	Bend	trans	53	-20.6	150.5	0	0	0	0	0	121.7
275	D	62.8	Low	86	Confident	71 Å²	71	43.7 Å²	43.7	38%	0.38	27%	0.265	S	S	.	.			trans	-110.5	88.7	-171.7	176.4	33	0	0	0	109.2	K190 R261 T273 G277	K190-D275 IonicContact NZ-OD2 3.95Å; K190-D275 PolarHBondContact NZ-OD2 2.95Å; R261-D275 PolarHBondContact NH2-O 3.46Å; T273-D275 PolarHBondContact O-N 3.21Å; D275-G277 PolarHBondContact O-N 3.05Å; D275-G277 WeakPolarHBondContact OD1-CA 3.37Å; D275-G277 PolarHBondContact OD1-N 2.81Å
276	V	63.1	Low	85.5	Confident	134 Å²	134	49.7 Å²	49.7	81%	0.812	29%	0.292	S	S	*	.			trans	-88.1	57.4	162.1	-153.8	0	0	0	0	107.6	T279	V276-T279 HydrophobicContact CG1-CG2 4.35Å
277	G	72.2	Confident	85.2	Confident	28 Å²	28	48.5 Å²	48.5	29%	0.289	29%	0.286	S	S	.	.			trans	-56.9	-172.8	167.1	0	0	0	0	0	111.8	D275 T279	D275-G277 PolarHBondContact O-N 3.05Å; D275-G277 WeakPolarHBondContact OD1-CA 3.37Å; D275-G277 PolarHBondContact OD1-N 2.81Å; G277-T279 WeakPolarHBondContact O-CG2 2.97Å; G277-T279 PolarHBondContact O-N 3.32Å; G277-T279 VanDerWaalsContact O-N 3.11Å
278	I	81.7	Confident	84.9	Confident	73 Å²	73	43 Å²	43	37%	0.374	26%	0.26	S	S	.	.	S	Bend	trans	-56.1	124.5	-179.5	-61.3	172.3	0	0	0	109.1	L188 Y389 E392	L188-I278 WeakPolarHBondContact CD1-O 3.36Å; I278-Y389 HydrophobicContact CG2-CD2 3.91Å; I278-E392 HydrophobicContact CB-CB 4.46Å; I278-E392 HydrophobicContact CB-CG 4.29Å; I278-E392 HydrophobicContact CD1-CB 3.75Å; I278-E392 HydrophobicContact CD1-CG 3.98Å; I278-E392 HydrophobicContact CG2-CB 4.45Å
279	T	86.1	Confident	84.7	Confident	72 Å²	72	44.7 Å²	44.7	44%	0.442	27%	0.269	S	S	.	.			trans	-109.2	159.7	178.4	61.2	0	0	0	0	110.7	V276 G277	V276-T279 HydrophobicContact CG1-CG2 4.35Å; G277-T279 WeakPolarHBondContact O-CG2 2.97Å; G277-T279 PolarHBondContact O-N 3.32Å; G277-T279 VanDerWaalsContact O-N 3.11Å
280	M	90	Very high	84.3	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.288	C	S	.	.			trans	-55.5	130.4	173.5	-179.2	168.6	59.2	0	0	109.8	I180 E184 S282 L284 R285 L288 L324 Y389	I180-M280 HydrophobicContact CG2-CE 3.81Å; E184-M280 HydrophobicContact CG-CB 3.93Å; E184-M280 HydrophobicContact CG-CE 3.93Å; E184-M280 WeakPolarHBondContact OE1-CE 3.3Å; M280-S282 PolarHBondContact O-N 2.72Å; M280-L284 HydrophobicContact CG-CB 3.68Å; M280-L284 HydrophobicContact CG-CD1 4.1Å; M280-L284 HydrophobicContact SD-CB 3.73Å; M280-L284 HydrophobicContact SD-CD1 4.35Å; M280-R285 HydrophobicContact CE-CB 3.87Å; M280-R285 HydrophobicContact CE-CG 4.28Å; M280-R285 PolarHBondContact O-NH1 3.33Å; M280-L288 HydrophobicContact CE-CD2 4.27Å; M280-L324 HydrophobicContact SD-CD1 4.39Å; M280-L324 HydrophobicContact SD-CD2 3.83Å; M280-Y389 HydrophobicContact CB-CE2 4.2Å
281	P	90.4	Very high	84	Confident	27 Å²	27	50.2 Å²	50.2	18%	0.175	29%	0.291	C	S	.	.			trans	-48.9	136.6	176.4	-31.5	35.7	0	0	0	112	V283 L284 R285 L386 Y389	P281-V283 PolarHBondContact O-N 3.31Å; P281-V283 VanDerWaalsContact O-N 3.12Å; P281-L284 WeakPolarHBondContact O-CB 3.37Å; P281-L284 PolarHBondContact O-N 2.86Å; P281-R285 PolarHBondContact O-N 3.24Å; P281-L386 HydrophobicContact CG-CD2 4.03Å; P281-Y389 HydrophobicContact CG-CG 4.49Å
282	S	87.6	Confident	83.8	Confident	71 Å²	71	47.7 Å²	47.7	50%	0.497	28%	0.283	S	S	.	.	H	α-helix	trans	-54.7	-37.3	-176.7	60.9	0	0	0	0	111.7	M280 L284 R285 H286	M280-S282 PolarHBondContact O-N 2.72Å; S282-L284 PolarHBondContact O-N 3.33Å; S282-R285 WeakPolarHBondContact O-CB 3.5Å; S282-R285 PolarHBondContact O-N 3.35Å; S282-H286 PolarHBondContact O-N 2.81Å; S282-H286 PolarHBondContact O-ND1 2.93Å
283	V	85.6	Confident	83.7	Confident	46 Å²	46	51.1 Å²	51.1	28%	0.279	30%	0.3	S	S	.	.	H	α-helix	trans	-60.6	-43.3	178.1	176.8	0	0	0	0	111.9	P281 W287 L438 L442	P281-V283 PolarHBondContact O-N 3.31Å; P281-V283 VanDerWaalsContact O-N 3.12Å; V283-W287 WeakPolarHBondContact O-CB 3.19Å; V283-W287 PolarHBondContact O-N 2.8Å; V283-L438 HydrophobicContact CB-CD2 4.12Å; V283-L438 HydrophobicContact CG1-CD2 3.95Å; V283-L438 HydrophobicContact CG1-CG 4.29Å; V283-L442 HydrophobicContact CG1-CD1 3.35Å
284	L	89.6	Confident	83.8	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-66.2	-42.5	173.3	-72.2	-173.6	0	0	0	111.8	M280 P281 S282 W287 L288 L324 I327 L328 L386 L438 L442	M280-L284 HydrophobicContact CG-CB 3.68Å; M280-L284 HydrophobicContact CG-CD1 4.1Å; M280-L284 HydrophobicContact SD-CB 3.73Å; M280-L284 HydrophobicContact SD-CD1 4.35Å; P281-L284 WeakPolarHBondContact O-CB 3.37Å; P281-L284 PolarHBondContact O-N 2.86Å; S282-L284 PolarHBondContact O-N 3.33Å; L284-W287 WeakPolarHBondContact O-CB 3.37Å; L284-W287 PolarHBondContact O-N 3.04Å; L284-L288 WeakPolarHBondContact O-CB 3.28Å; L284-L288 PolarHBondContact O-N 2.8Å; L284-L324 HydrophobicContact CD1-CD1 4.29Å; L284-L324 HydrophobicContact CD2-CD1 4.22Å; L284-I327 HydrophobicContact CD2-CG2 3.86Å; L284-L328 HydrophobicContact CD1-CD2 3.64Å; L284-L386 HydrophobicContact CD1-CD2 3.56Å; L284-L386 HydrophobicContact CG-CD2 4Å; L284-L438 HydrophobicContact CD2-CD1 3.96Å; L284-L438 HydrophobicContact CG-CD2 4.5Å; L284-L442 HydrophobicContact CD2-CD1 4.36Å; L284-L442 HydrophobicContact CD2-CD2 3.8Å
285	R	90.8	Very high	85	Confident	61 Å²	61	49.1 Å²	49.1	23%	0.23	28%	0.275	C	S	.	.	H	α-helix	trans	-59.2	-50.3	177.6	-173.8	176.2	-72.5	109.6	-14.2	111.8	I180 E184 M280 P281 S282 W287 L288 I289	I180-R285 HydrophobicContact CG2-CG 4.17Å; E184-R285 IonicContact OE1-CZ 3.18Å; E184-R285 IonicContact OE1-NE 2.84Å; E184-R285 PolarHBondContact OE1-NE 2.91Å; E184-R285 IonicContact OE1-NH2 2.99Å; E184-R285 PolarHBondContact OE1-NH2 2.92Å; E184-R285 IonicContact OE2-CZ 2.68Å; E184-R285 IonicContact OE2-NE 2.68Å; E184-R285 IonicContact OE2-NH2 3.56Å; E184-R285 PolarHBondContact OE2-NH2 2.93Å; M280-R285 HydrophobicContact CE-CB 3.87Å; M280-R285 HydrophobicContact CE-CG 4.28Å; M280-R285 PolarHBondContact O-NH1 3.33Å; P281-R285 PolarHBondContact O-N 3.24Å; S282-R285 WeakPolarHBondContact O-CB 3.5Å; S282-R285 PolarHBondContact O-N 3.35Å; R285-W287 VanDerWaalsContact C-N 3.29Å; R285-W287 PolarHBondContact O-N 3.12Å; R285-L288 PolarHBondContact O-N 3.28Å; R285-I289 HydrophobicContact CG-CD1 4.18Å; R285-I289 WeakPolarHBondContact O-CG1 3.28Å; R285-I289 PolarHBondContact O-N 2.98Å
286	H	87.9	Confident	86.1	Confident	125 Å²	125	48 Å²	48	58%	0.579	27%	0.267	S	S	*	.	H	α-helix	trans	-61.9	-38.5	177.1	-70.1	103.8	0	0	0	111.9	S282 K290	S282-H286 PolarHBondContact O-N 2.81Å; S282-H286 PolarHBondContact O-ND1 2.93Å; H286-K290 WeakPolarHBondContact O-CB 3.42Å; H286-K290 PolarHBondContact O-N 3.08Å; H286-K290 VanDerWaalsContact O-N 3.09Å
287	W	88.1	Confident	87.2	Confident	3 Å²	3	43.9 Å²	43.9	1%	0.011	25%	0.245	C	C	.	.	H	α-helix	trans	-62.1	-46.9	175	-177.9	96.8	0	0	0	111.6	V283 L284 R285 K290 R291 E323 L324 I327 L442 F449	V283-W287 WeakPolarHBondContact O-CB 3.19Å; V283-W287 PolarHBondContact O-N 2.8Å; L284-W287 WeakPolarHBondContact O-CB 3.37Å; L284-W287 PolarHBondContact O-N 3.04Å; R285-W287 VanDerWaalsContact C-N 3.29Å; R285-W287 PolarHBondContact O-N 3.12Å; W287-K290 WeakPolarHBondContact O-CB 3.18Å; W287-K290 PolarHBondContact O-N 3.36Å; W287-R291 HydrophobicContact CD2-CG 3.87Å; W287-R291 HydrophobicContact CE3-CG 3.9Å; W287-R291 HydrophobicContact CH2-CG 3.6Å; W287-R291 HydrophobicContact CZ2-CG 3.6Å; W287-R291 HydrophobicContact CZ3-CG 3.76Å; W287-R291 WeakPolarHBondContact O-CG 3.47Å; W287-R291 PolarHBondContact O-N 2.77Å; W287-E323 HydrophobicContact CH2-CB 3.78Å; W287-L324 HydrophobicContact CZ3-CB 4.34Å; W287-I327 HydrophobicContact CD2-CD1 4.3Å; W287-I327 HydrophobicContact CE3-CD1 4.14Å; W287-I327 HydrophobicContact CH2-CD1 3.5Å; W287-I327 VanDerWaalsContact CH2-CD1 3.5Å; W287-I327 HydrophobicContact CZ2-CD1 3.64Å; W287-I327 HydrophobicContact CZ3-CD1 3.76Å; W287-L442 HydrophobicContact CB-CD1 4.15Å; W287-L442 HydrophobicContact CB-CD2 4.2Å; W287-L442 HydrophobicContact CD2-CD2 3.96Å; W287-L442 HydrophobicContact CG-CB 4.45Å; W287-L442 HydrophobicContact CG-CD1 4.35Å; W287-L442 HydrophobicContact CG-CD2 3.7Å; W287-L442 HydrophobicContact CG-CG 4.38Å; W287-L442 PolarHBondContact NE1-O 3.33Å; W287-F449 HydrophobicContact CH2-CD2 4.32Å; W287-F449 AromaticContact CH2-CE2 3.99Å; W287-F449 HydrophobicContact CH2-CE2 3.99Å; W287-F449 AromaticContact CZ2-CD2 3.91Å; W287-F449 HydrophobicContact CZ2-CD2 3.91Å; W287-F449 AromaticContact CZ2-CE2 3.75Å; W287-F449 HydrophobicContact CZ2-CE2 3.75Å
288	L	90.6	Very high	87.8	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-45.8	179.5	-178.4	61.1	0	0	0	111.5	I180 M280 L284 R285 K290 R291 C292 P320 Y321 L324	I180-L288 HydrophobicContact CB-CD2 4.41Å; I180-L288 HydrophobicContact CD1-CB 4.35Å; I180-L288 HydrophobicContact CD1-CD2 3.95Å; I180-L288 HydrophobicContact CD1-CG 3.97Å; I180-L288 HydrophobicContact CG1-CD2 3.63Å; I180-L288 HydrophobicContact CG1-CG 4.12Å; I180-L288 HydrophobicContact CG2-CD2 4.13Å; M280-L288 HydrophobicContact CE-CD2 4.27Å; L284-L288 WeakPolarHBondContact O-CB 3.28Å; L284-L288 PolarHBondContact O-N 2.8Å; R285-L288 PolarHBondContact O-N 3.28Å; L288-K290 VanDerWaalsContact C-N 3.29Å; L288-K290 PolarHBondContact O-N 3.23Å; L288-R291 PolarHBondContact O-N 3.15Å; L288-R291 VanDerWaalsContact O-N 3.1Å; L288-C292 PolarHBondContact O-N 3.35Å; L288-C292 PolarHBondContact O-SG 3.46Å; L288-C292 VanDerWaalsContact O-SG 3.39Å; L288-P320 HydrophobicContact CD1-CB 3.73Å; L288-Y321 HydrophobicContact CD1-CE1 4.48Å; L288-Y321 HydrophobicContact CD2-CD1 4.3Å; L288-Y321 HydrophobicContact CD2-CE1 3.87Å; L288-L324 HydrophobicContact CD1-CD2 4.47Å; L288-L324 HydrophobicContact CD2-CD2 3.81Å
289	I	90	Very high	87.9	Confident	55 Å²	55	40.1 Å²	40.1	28%	0.282	22%	0.221	S	C	.	.	H	α-helix	trans	-53.5	-48.7	174.6	-68.6	167.8	0	0	0	110.4	I180 R285 R291 C292 N293	I180-I289 HydrophobicContact CD1-CB 4.37Å; I180-I289 HydrophobicContact CD1-CD1 4.34Å; I180-I289 HydrophobicContact CD1-CG1 3.33Å; R285-I289 HydrophobicContact CG-CD1 4.18Å; R285-I289 WeakPolarHBondContact O-CG1 3.28Å; R285-I289 PolarHBondContact O-N 2.98Å; I289-R291 VanDerWaalsContact C-N 3.33Å; I289-R291 PolarHBondContact O-N 2.92Å; I289-C292 PolarHBondContact O-N 3.18Å; I289-N293 WeakPolarHBondContact O-CB 3.27Å; I289-N293 PolarHBondContact O-N 3.23Å; I289-N293 PolarHBondContact O-ND2 2.74Å
290	K	88.1	Confident	87.7	Confident	114 Å²	114	40.6 Å²	40.6	50%	0.496	22%	0.221	S	C	.	.	H	α-helix	trans	-61.2	-40.7	179.3	-174.7	175.1	-179.1	172.2	0	112	H286 W287 L288 A294	H286-K290 WeakPolarHBondContact O-CB 3.42Å; H286-K290 PolarHBondContact O-N 3.08Å; H286-K290 VanDerWaalsContact O-N 3.09Å; W287-K290 WeakPolarHBondContact O-CB 3.18Å; W287-K290 PolarHBondContact O-N 3.36Å; L288-K290 VanDerWaalsContact C-N 3.29Å; L288-K290 PolarHBondContact O-N 3.23Å; K290-A294 WeakPolarHBondContact O-CB 3.45Å; K290-A294 PolarHBondContact O-N 3.25Å
291	R	87.2	Confident	87.1	Confident	17 Å²	17	49.1 Å²	49.1	6%	0.064	25%	0.253	C	S	.	.	H	α-helix	trans	-67.8	-44.2	177.2	-67.3	-61	-65.1	156.3	-3.5	112	W287 L288 I289 N293 A294 S295 P320 E323 D450	W287-R291 HydrophobicContact CD2-CG 3.87Å; W287-R291 HydrophobicContact CE3-CG 3.9Å; W287-R291 HydrophobicContact CH2-CG 3.6Å; W287-R291 HydrophobicContact CZ2-CG 3.6Å; W287-R291 HydrophobicContact CZ3-CG 3.76Å; W287-R291 WeakPolarHBondContact O-CG 3.47Å; W287-R291 PolarHBondContact O-N 2.77Å; L288-R291 PolarHBondContact O-N 3.15Å; L288-R291 VanDerWaalsContact O-N 3.1Å; I289-R291 VanDerWaalsContact C-N 3.33Å; I289-R291 PolarHBondContact O-N 2.92Å; R291-N293 VanDerWaalsContact C-N 3.33Å; R291-N293 PolarHBondContact O-N 2.93Å; R291-A294 WeakPolarHBondContact O-CB 3.27Å; R291-A294 PolarHBondContact O-N 2.73Å; R291-A294 VanDerWaalsContact O-N 3.16Å; R291-S295 PolarHBondContact O-N 3.01Å; R291-S295 PolarHBondContact O-OG 3.42Å; R291-P320 HydrophobicContact CB-CB 3.83Å; R291-P320 HydrophobicContact CB-CG 4.12Å; R291-E323 IonicContact CZ-OE2 3.98Å; R291-E323 IonicContact NE-OE2 2.61Å; R291-E323 PolarHBondContact NE-OE2 3.49Å; R291-E323 IonicContact NH2-OE1 3.47Å; R291-E323 PolarHBondContact NH2-OE1 3.03Å; R291-E323 IonicContact NH2-OE2 3.71Å; R291-E323 PolarHBondContact NH2-OE2 2.97Å; R291-D450 IonicContact CZ-OD1 2.73Å; R291-D450 IonicContact NH1-OD1 2.81Å; R291-D450 PolarHBondContact NH1-OD1 3.39Å; R291-D450 IonicContact NH2-OD1 3.65Å; R291-D450 PolarHBondContact NH2-OD1 2.85Å
292	C	90.7	Very high	86.2	Confident	9 Å²	9	50.7 Å²	50.7	6%	0.061	26%	0.258	C	S	.	.	H	α-helix	trans	-59.4	-42.9	174.8	-68.5	0	0	0	0	111.8	I176 L288 I289 A294 S295 H296	I176-C292 HydrophobicContact CD1-CB 4.01Å; I176-C292 HydrophobicContact CG1-CB 4.29Å; I176-C292 HydrophobicContact CG2-CB 3.54Å; L288-C292 PolarHBondContact O-N 3.35Å; L288-C292 PolarHBondContact O-SG 3.46Å; L288-C292 VanDerWaalsContact O-SG 3.39Å; I289-C292 PolarHBondContact O-N 3.18Å; C292-A294 VanDerWaalsContact C-N 3.33Å; C292-A294 PolarHBondContact O-N 3.15Å; C292-S295 WeakPolarHBondContact O-CB 3.38Å; C292-S295 PolarHBondContact O-N 2.61Å; C292-H296 WeakPolarHBondContact O-CB 3.49Å; C292-H296 PolarHBondContact O-N 2.96Å
293	N	88.4	Confident	85.2	Confident	74 Å²	74	48.4 Å²	48.4	40%	0.396	24%	0.24	S	C	.	.	H	α-helix	trans	-65.6	-35	175.8	-71.9	-20.9	0	0	0	112.8	I176 I289 R291 S297	I176-N293 WeakPolarHBondContact CD1-OD1 3.44Å; I289-N293 WeakPolarHBondContact O-CB 3.27Å; I289-N293 PolarHBondContact O-N 3.23Å; I289-N293 PolarHBondContact O-ND2 2.74Å; R291-N293 VanDerWaalsContact C-N 3.33Å; R291-N293 PolarHBondContact O-N 2.93Å; N293-S297 WeakPolarHBondContact O-CB 3.28Å; N293-S297 PolarHBondContact O-N 3.36Å; N293-S297 PolarHBondContact O-OG 3.27Å
294	A	85.9	Confident	84	Confident	43 Å²	43	56.5 Å²	56.5	36%	0.355	27%	0.265	S	S	.	.	H	α-helix	trans	-66.3	-43.5	173.3	0	0	0	0	0	111.7	K290 R291 C292 S297 A298	K290-A294 WeakPolarHBondContact O-CB 3.45Å; K290-A294 PolarHBondContact O-N 3.25Å; R291-A294 WeakPolarHBondContact O-CB 3.27Å; R291-A294 PolarHBondContact O-N 2.73Å; R291-A294 VanDerWaalsContact O-N 3.16Å; C292-A294 VanDerWaalsContact C-N 3.33Å; C292-A294 PolarHBondContact O-N 3.15Å; A294-S297 WeakPolarHBondContact O-CB 3.4Å; A294-S297 PolarHBondContact O-N 2.8Å; A294-A298 PolarHBondContact O-N 2.87Å
295	S	87.7	Confident	82.5	Confident	9 Å²	9	60.2 Å²	60.2	6%	0.063	29%	0.291	C	S	.	.	H	α-helix	trans	-60.3	-46.7	173	-72.9	0	0	0	0	111.8	R291 C292 S297 A298 I299 L316 P320	R291-S295 PolarHBondContact O-N 3.01Å; R291-S295 PolarHBondContact O-OG 3.42Å; C292-S295 WeakPolarHBondContact O-CB 3.38Å; C292-S295 PolarHBondContact O-N 2.61Å; S295-S297 VanDerWaalsContact C-N 3.32Å; S295-S297 PolarHBondContact O-N 2.93Å; S295-A298 WeakPolarHBondContact O-CB 3.07Å; S295-A298 PolarHBondContact O-N 2.84Å; S295-I299 VanDerWaalsContact O-CG1 3.3Å; S295-I299 WeakPolarHBondContact O-CG1 3.36Å; S295-I299 PolarHBondContact O-N 3.22Å; S295-L316 WeakPolarHBondContact CB-O 3.43Å; S295-L316 PolarHBondContact OG-O 2.9Å; S295-P320 WeakPolarHBondContact OG-CG 3.3Å
296	H	86.6	Confident	81.1	Confident	46 Å²	46	59.1 Å²	59.1	21%	0.213	29%	0.292	C	S	.	.	H	α-helix	trans	-54.2	-49.2	174.3	173.4	66.9	0	0	0	111.5	Y171 C292 A298 I299 L300	Y171-H296 AromaticContact CZ-ND1 3.74Å; Y171-H296 PolarHBondContact OH-CE1 2.94Å; Y171-H296 PolarHBondContact OH-ND1 3.3Å; C292-H296 WeakPolarHBondContact O-CB 3.49Å; C292-H296 PolarHBondContact O-N 2.96Å; H296-A298 VanDerWaalsContact C-N 3.28Å; H296-A298 PolarHBondContact O-N 3.31Å; H296-I299 PolarHBondContact O-N 2.88Å; H296-L300 WeakPolarHBondContact NE2-CD1 3.45Å; H296-L300 WeakPolarHBondContact O-CG 3.26Å; H296-L300 PolarHBondContact O-N 3.41Å; H296-L300 VanDerWaalsContact O-N 3.08Å
297	S	85.3	Confident	79.8	Confident	49 Å²	49	60.8 Å²	60.8	34%	0.343	30%	0.3	S	S	.	.	H	α-helix	trans	-61.5	-35.1	176.6	-58.7	0	0	0	0	112.8	N293 A294 S295 R301	N293-S297 WeakPolarHBondContact O-CB 3.28Å; N293-S297 PolarHBondContact O-N 3.36Å; N293-S297 PolarHBondContact O-OG 3.27Å; A294-S297 WeakPolarHBondContact O-CB 3.4Å; A294-S297 PolarHBondContact O-N 2.8Å; S295-S297 VanDerWaalsContact C-N 3.32Å; S295-S297 PolarHBondContact O-N 2.93Å; S297-R301 WeakPolarHBondContact O-CG 3.15Å; S297-R301 PolarHBondContact O-N 2.97Å
298	A	84.7	Confident	79	Confident	18 Å²	18	64.3 Å²	64.3	15%	0.149	32%	0.319	C	S	.	.	H	α-helix	trans	-69.4	-42	176.5	0	0	0	0	0	111.7	A294 S295 H296 L300 R301 H302 L316	A294-A298 PolarHBondContact O-N 2.87Å; S295-A298 WeakPolarHBondContact O-CB 3.07Å; S295-A298 PolarHBondContact O-N 2.84Å; H296-A298 VanDerWaalsContact C-N 3.28Å; H296-A298 PolarHBondContact O-N 3.31Å; A298-L300 PolarHBondContact O-N 3.17Å; A298-R301 WeakPolarHBondContact O-CB 3.13Å; A298-R301 PolarHBondContact O-N 3.39Å; A298-R301 VanDerWaalsContact O-N 3.11Å; A298-H302 PolarHBondContact O-CD2 2.95Å; A298-H302 PolarHBondContact O-N 2.92Å; A298-L316 HydrophobicContact CB-CD1 4.31Å
299	I	84.6	Confident	78.5	Confident	3 Å²	3	65.7 Å²	65.7	2%	0.015	33%	0.327	C	S	.	.	H	α-helix	trans	-57.9	-49.3	176.1	-67.2	163.8	0	0	0	110	S295 H296 R301 H302 I303 A313 L316 L317 L578	S295-I299 VanDerWaalsContact O-CG1 3.3Å; S295-I299 WeakPolarHBondContact O-CG1 3.36Å; S295-I299 PolarHBondContact O-N 3.22Å; H296-I299 PolarHBondContact O-N 2.88Å; I299-R301 PolarHBondContact O-N 2.82Å; I299-R301 VanDerWaalsContact O-N 3.17Å; I299-H302 PolarHBondContact O-N 3.39Å; I299-I303 HydrophobicContact CG2-CD1 4.43Å; I299-I303 WeakPolarHBondContact O-CG1 3.39Å; I299-I303 PolarHBondContact O-N 2.67Å; I299-A313 HydrophobicContact CD1-CB 4.27Å; I299-A313 HydrophobicContact CG1-CB 4.16Å; I299-A313 HydrophobicContact CG2-CB 3.99Å; I299-L316 HydrophobicContact CD1-CB 4.09Å; I299-L316 HydrophobicContact CG1-CB 3.94Å; I299-L316 HydrophobicContact CG1-CD1 3.72Å; I299-L317 HydrophobicContact CD1-CD1 4.28Å; I299-L317 HydrophobicContact CD1-CD2 3.75Å; I299-L317 HydrophobicContact CD1-CG 3.64Å; I299-L578 HydrophobicContact CG2-CD1 3.46Å; I299-L578 VanDerWaalsContact CG2-CD1 3.46Å
300	L	81.5	Confident	78.1	Confident	82 Å²	82	64.4 Å²	64.4	43%	0.429	33%	0.325	S	S	.	.	H	α-helix	trans	-59.3	-29	177.8	-67	-179	0	0	0	113.5	H296 A298 I303	H296-L300 WeakPolarHBondContact NE2-CD1 3.45Å; H296-L300 WeakPolarHBondContact O-CG 3.26Å; H296-L300 PolarHBondContact O-N 3.41Å; H296-L300 VanDerWaalsContact O-N 3.08Å; A298-L300 PolarHBondContact O-N 3.17Å; L300-I303 HydrophobicContact CD2-CD1 4.22Å
301	R	79	Confident	77.8	Confident	180 Å²	180	61.1 Å²	61.1	68%	0.679	32%	0.316	S	S	*	.	H	α-helix	trans	-78.4	-35.5	173.4	-67	176.9	-152.3	132.4	2.8	112.5	S297 A298 I299	S297-R301 WeakPolarHBondContact O-CG 3.15Å; S297-R301 PolarHBondContact O-N 2.97Å; A298-R301 WeakPolarHBondContact O-CB 3.13Å; A298-R301 PolarHBondContact O-N 3.39Å; A298-R301 VanDerWaalsContact O-N 3.11Å; I299-R301 PolarHBondContact O-N 2.82Å; I299-R301 VanDerWaalsContact O-N 3.17Å
302	H	70.9	Confident	77.7	Confident	60 Å²	60	60.8 Å²	60.8	28%	0.278	32%	0.316	S	S	.	.	H	α-helix	trans	-78	-27.3	-175.1	-85.4	-68.1	0	0	0	114.3	A298 I299 R304 S305	A298-H302 PolarHBondContact O-CD2 2.95Å; A298-H302 PolarHBondContact O-N 2.92Å; I299-H302 PolarHBondContact O-N 3.39Å; H302-R304 PolarHBondContact O-N 3.16Å; H302-S305 PolarHBondContact O-N 3.34Å; H302-S305 PolarHBondContact O-OG 3.28Å
303	I	66.5	Low	77.5	Confident	22 Å²	22	60.4 Å²	60.4	11%	0.113	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.6	-32.4	178.8	-72.8	166.5	0	0	0	112	I299 L300 S305 V309 L578	I299-I303 HydrophobicContact CG2-CD1 4.43Å; I299-I303 WeakPolarHBondContact O-CG1 3.39Å; I299-I303 PolarHBondContact O-N 2.67Å; L300-I303 HydrophobicContact CD2-CD1 4.22Å; I303-S305 VanDerWaalsContact C-N 3.34Å; I303-S305 PolarHBondContact O-N 3.4Å; I303-V309 HydrophobicContact CG1-CG1 3.99Å; I303-L578 HydrophobicContact CD1-CD1 3.94Å; I303-L578 HydrophobicContact CG1-CD1 4.25Å
304	R	61	Low	77.5	Confident	216 Å²	216	57 Å²	57	82%	0.815	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-4.3	-178	-61.8	-178.1	178.7	172.6	0.2	116.2	H302	H302-R304 PolarHBondContact O-N 3.16Å
305	S	58.1	Low	77.6	Confident	78 Å²	78	57.8 Å²	57.8	55%	0.545	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.8	-11.3	-156.2	64.7	0	0	0	0	119.2	H302 I303	H302-S305 PolarHBondContact O-N 3.34Å; H302-S305 PolarHBondContact O-OG 3.28Å; I303-S305 VanDerWaalsContact C-N 3.34Å; I303-S305 PolarHBondContact O-N 3.4Å
306	T	59.7	Low	77.8	Confident	39 Å²	39	57.8 Å²	57.8	24%	0.239	29%	0.293	C	S	.	.			trans	-141.1	138.1	-166.7	54.5	0	0	0	0	114.9	V309	T306-V309 WeakPolarHBondContact O-CG2 3.06Å
307	E	60.9	Low	78	Confident	159 Å²	159	56.2 Å²	56.2	74%	0.743	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	134.3	153.7	-66.7	174.8	174.5	0	0	107.9
308	N	71.3	Confident	78.4	Confident	77 Å²	77	53.9 Å²	53.9	41%	0.412	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	33.7	-171.4	-48.9	-37.2	0	0	0	117.4	A310 S311 T312 S464	N308-A310 PolarHBondContact O-N 3.32Å; N308-S311 PolarHBondContact O-N 3.24Å; N308-T312 PolarHBondContact O-N 3.02Å; N308-T312 PolarHBondContact O-OG1 2.98Å; N308-S464 WeakPolarHBondContact ND2-CB 3.39Å; N308-S464 PolarHBondContact ND2-OG 3.4Å
309	V	79.7	Confident	78.6	Confident	29 Å²	29	54 Å²	54	18%	0.176	27%	0.266	C	S	.	.	H	α-helix	trans	-49.3	-42.7	174.3	-174.7	0	0	0	0	112.4	I303 T306 A313	I303-V309 HydrophobicContact CG1-CG1 3.99Å; T306-V309 WeakPolarHBondContact O-CG2 3.06Å; V309-A313 WeakPolarHBondContact O-CB 3.39Å; V309-A313 PolarHBondContact O-N 2.79Å
310	A	83.4	Confident	79	Confident	28 Å²	28	53.9 Å²	53.9	23%	0.231	27%	0.265	C	S	.	.	H	α-helix	trans	-64.7	-49.3	-175.3	0	0	0	0	0	113.2	L168 N308 A313 A314	L168-A310 HydrophobicContact CD1-CB 3.73Å; N308-A310 PolarHBondContact O-N 3.32Å; A310-A313 PolarHBondContact O-N 3.44Å; A310-A314 WeakPolarHBondContact O-CB 3.25Å; A310-A314 PolarHBondContact O-N 2.77Å
311	S	81.7	Confident	79.6	Confident	45 Å²	45	50 Å²	50	32%	0.315	25%	0.245	S	C	.	.	H	α-helix	trans	-65.9	-42.6	179.6	-53.9	0	0	0	0	111.6	N308 A313 A314 L315	N308-S311 PolarHBondContact O-N 3.24Å; S311-A313 PolarHBondContact O-N 3.41Å; S311-A314 PolarHBondContact O-N 3.49Å; S311-L315 WeakPolarHBondContact O-CG 3.44Å; S311-L315 PolarHBondContact O-N 3.47Å
312	T	83.7	Confident	80.3	Confident	10 Å²	10	41.6 Å²	41.6	6%	0.061	21%	0.213	C	C	.	.	H	α-helix	trans	-62.7	-43.1	175.2	-58.2	0	0	0	0	111.5	N308 L315 L316 T457	N308-T312 PolarHBondContact O-N 3.02Å; N308-T312 PolarHBondContact O-OG1 2.98Å; T312-L315 PolarHBondContact O-N 2.97Å; T312-L316 HydrophobicContact CG2-CD1 4.24Å; T312-L316 WeakPolarHBondContact O-CG 3.42Å; T312-L316 PolarHBondContact O-N 3.48Å; T312-T457 HydrophobicContact CG2-CG2 4.47Å
313	A	87.4	Confident	81.2	Confident	2 Å²	2	38.7 Å²	38.7	2%	0.017	20%	0.2	C	C	.	.	H	α-helix	trans	-62.3	-44.1	176.7	0	0	0	0	0	111.6	L168 I299 V309 A310 S311 L315 L316 L317 L578	L168-A313 HydrophobicContact CD2-CB 4.14Å; I299-A313 HydrophobicContact CD1-CB 4.27Å; I299-A313 HydrophobicContact CG1-CB 4.16Å; I299-A313 HydrophobicContact CG2-CB 3.99Å; V309-A313 WeakPolarHBondContact O-CB 3.39Å; V309-A313 PolarHBondContact O-N 2.79Å; A310-A313 PolarHBondContact O-N 3.44Å; S311-A313 PolarHBondContact O-N 3.41Å; A313-L315 PolarHBondContact O-N 2.88Å; A313-L316 PolarHBondContact O-N 3.12Å; A313-L317 VanDerWaalsContact O-CG 3.29Å; A313-L317 WeakPolarHBondContact O-CG 3.45Å; A313-L317 PolarHBondContact O-N 3.35Å; A313-L578 HydrophobicContact CB-CD1 4.28Å; A313-L578 HydrophobicContact CB-CD2 4.26Å
314	A	89.2	Confident	82.5	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-61.4	-42.6	177.5	0	0	0	0	0	112.5	V162 H164 I167 A310 S311 L317 A318	V162-A314 HydrophobicContact CG1-CB 3.93Å; H164-A314 HydrophobicContact CB-CB 3.61Å; I167-A314 HydrophobicContact CB-CB 4.05Å; I167-A314 HydrophobicContact CG2-CB 3.92Å; A310-A314 WeakPolarHBondContact O-CB 3.25Å; A310-A314 PolarHBondContact O-N 2.77Å; S311-A314 PolarHBondContact O-N 3.49Å; A314-L317 PolarHBondContact O-N 3.03Å; A314-A318 PolarHBondContact O-N 3.36Å
315	L	88	Confident	84	Confident	61 Å²	61	27.4 Å²	27.4	32%	0.319	16%	0.156	S	C	.	.	H	α-helix	trans	-62	-43.6	174.1	-71.1	171.9	0	0	0	111.8	V162 S311 T312 A313 L317 A318 R319 S460	V162-L315 HydrophobicContact CG2-CD2 4.43Å; S311-L315 WeakPolarHBondContact O-CG 3.44Å; S311-L315 PolarHBondContact O-N 3.47Å; T312-L315 PolarHBondContact O-N 2.97Å; A313-L315 PolarHBondContact O-N 2.88Å; L315-L317 VanDerWaalsContact C-N 3.27Å; L315-L317 PolarHBondContact O-N 3.17Å; L315-A318 PolarHBondContact O-N 3.49Å; L315-R319 WeakPolarHBondContact O-CB 3.34Å; L315-R319 PolarHBondContact O-N 2.73Å; L315-S460 VanDerWaalsContact CD1-OG 3.27Å; L315-S460 WeakPolarHBondContact CD1-OG 3.1Å
316	L	90.1	Very high	85.6	Confident	8 Å²	8	23.7 Å²	23.7	4%	0.042	13%	0.13	C	C	.	.	H	α-helix	trans	-63.1	-32.9	176.7	-72.7	173.4	0	0	0	112.6	S295 A298 I299 T312 A313 P320 T453 T457	S295-L316 WeakPolarHBondContact CB-O 3.43Å; S295-L316 PolarHBondContact OG-O 2.9Å; A298-L316 HydrophobicContact CB-CD1 4.31Å; I299-L316 HydrophobicContact CD1-CB 4.09Å; I299-L316 HydrophobicContact CG1-CB 3.94Å; I299-L316 HydrophobicContact CG1-CD1 3.72Å; T312-L316 HydrophobicContact CG2-CD1 4.24Å; T312-L316 WeakPolarHBondContact O-CG 3.42Å; T312-L316 PolarHBondContact O-N 3.48Å; A313-L316 PolarHBondContact O-N 3.12Å; L316-P320 VanDerWaalsContact O-CD 3.27Å; L316-P320 WeakPolarHBondContact O-CD 3.37Å; L316-T453 HydrophobicContact CD2-CG2 3.76Å; L316-T457 HydrophobicContact CD2-CG2 4.37Å
317	L	91.9	Very high	86.9	Confident	13 Å²	13	21.9 Å²	21.9	7%	0.068	12%	0.119	C	C	.	.	H	α-helix	trans	-74.6	-39.9	176.9	-70.9	167.6	0	0	0	112.8	I167 L168 Y171 W179 I299 A313 A314 L315	I167-L317 HydrophobicContact CG2-CB 3.79Å; I167-L317 HydrophobicContact CG2-CD1 3.64Å; I167-L317 HydrophobicContact CG2-CG 4.37Å; L168-L317 HydrophobicContact CD2-CD1 4.02Å; Y171-L317 HydrophobicContact CD1-CD1 4.09Å; Y171-L317 HydrophobicContact CD2-CD1 4.07Å; Y171-L317 HydrophobicContact CD2-CD2 3.53Å; Y171-L317 HydrophobicContact CD2-CG 4.46Å; Y171-L317 HydrophobicContact CE2-CD2 3.84Å; Y171-L317 HydrophobicContact CG-CD1 3.68Å; Y171-L317 HydrophobicContact CG-CD2 4.05Å; W179-L317 HydrophobicContact CH2-CB 4.3Å; I299-L317 HydrophobicContact CD1-CD1 4.28Å; I299-L317 HydrophobicContact CD1-CD2 3.75Å; I299-L317 HydrophobicContact CD1-CG 3.64Å; A313-L317 VanDerWaalsContact O-CG 3.29Å; A313-L317 WeakPolarHBondContact O-CG 3.45Å; A313-L317 PolarHBondContact O-N 3.35Å; A314-L317 PolarHBondContact O-N 3.03Å; L315-L317 VanDerWaalsContact C-N 3.27Å; L315-L317 PolarHBondContact O-N 3.17Å
318	A	93	Very high	88.4	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-75	-27.2	178.3	0	0	0	0	0	112.8	V162 L212 A314 L315 Y321 L322	V162-A318 HydrophobicContact CG1-CB 4.18Å; V162-A318 HydrophobicContact CG2-CB 3.7Å; L212-A318 HydrophobicContact CD2-CB 3.91Å; A314-A318 PolarHBondContact O-N 3.36Å; L315-A318 PolarHBondContact O-N 3.49Å; A318-Y321 WeakPolarHBondContact O-CB 3.22Å; A318-Y321 PolarHBondContact O-N 3.45Å; A318-L322 PolarHBondContact O-N 3.38Å
319	R	89.6	Confident	89.4	Confident	22 Å²	22	10.8 Å²	10.8	8%	0.083	7%	0.065	C	C	.	.	H	α-helix	trans	-54.7	-50.4	-172.8	176.6	63.8	178.5	-168	4.2	114.8	L315 Y321 L322 E323 I425	L315-R319 WeakPolarHBondContact O-CB 3.34Å; L315-R319 PolarHBondContact O-N 2.73Å; R319-Y321 PolarHBondContact O-N 3.3Å; R319-Y321 VanDerWaalsContact O-N 3.12Å; R319-L322 PolarHBondContact O-N 3.44Å; R319-E323 HydrophobicContact CG-CG 4.19Å; R319-E323 WeakPolarHBondContact CG-OE1 3.4Å; R319-E323 IonicContact CZ-OE1 2.77Å; R319-E323 IonicContact NE-OE1 3.57Å; R319-E323 PolarHBondContact NE-OE1 3.37Å; R319-E323 IonicContact NH2-OE1 3.82Å; R319-E323 WeakPolarHBondContact O-CG 3.48Å; R319-E323 PolarHBondContact O-N 3.15Å; R319-I425 VanDerWaalsContact NH1-CG1 3.32Å
320	P	92.4	Very high	89.8	Confident	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-54.5	-32	179.9	-29.3	36.9	0	0	0	114.4	L288 R291 S295 L316 L324	L288-P320 HydrophobicContact CD1-CB 3.73Å; R291-P320 HydrophobicContact CB-CB 3.83Å; R291-P320 HydrophobicContact CB-CG 4.12Å; S295-P320 WeakPolarHBondContact OG-CG 3.3Å; L316-P320 VanDerWaalsContact O-CD 3.27Å; L316-P320 WeakPolarHBondContact O-CD 3.37Å; P320-L324 WeakPolarHBondContact O-CB 3.36Å; P320-L324 PolarHBondContact O-N 3.29Å
321	Y	94.8	Very high	90	Very high	1 Å²	1	10.5 Å²	10.5	0%	0.004	6%	0.056	C	C	.	.	H	α-helix	trans	-73.4	-40.1	178.7	-65.1	-88.7	0	0	0	111.6	W179 F183 L212 L288 A318 R319 E323 L324 M325	W179-Y321 VanDerWaalsContact CB-OH 3.27Å; W179-Y321 WeakPolarHBondContact CB-OH 3.32Å; W179-Y321 AromaticContact CE3-CE2 3.7Å; W179-Y321 HydrophobicContact CE3-CE2 3.7Å; W179-Y321 AromaticContact CE3-CZ 3.85Å; W179-Y321 HydrophobicContact CZ3-CE2 4.05Å; F183-Y321 HydrophobicContact CB-CD1 4.2Å; F183-Y321 HydrophobicContact CB-CE1 3.83Å; F183-Y321 HydrophobicContact CD1-CD1 4.12Å; F183-Y321 HydrophobicContact CD1-CE1 4.3Å; F183-Y321 AromaticContact CD2-CD1 3.47Å; F183-Y321 HydrophobicContact CD2-CD1 3.47Å; F183-Y321 VanDerWaalsContact CD2-CD1 3.47Å; F183-Y321 AromaticContact CD2-CE1 4Å; F183-Y321 HydrophobicContact CD2-CE1 4Å; F183-Y321 HydrophobicContact CD2-CG 4.46Å; F183-Y321 HydrophobicContact CE1-CD1 4.37Å; F183-Y321 AromaticContact CE2-CD1 3.74Å; F183-Y321 HydrophobicContact CE2-CD1 3.74Å; F183-Y321 HydrophobicContact CE2-CG 4.48Å; F183-Y321 AromaticContact CG-CD1 3.66Å; F183-Y321 HydrophobicContact CG-CD1 3.66Å; F183-Y321 AromaticContact CG-CE1 3.78Å; F183-Y321 HydrophobicContact CG-CE1 3.78Å; F183-Y321 HydrophobicContact CZ-CD1 4.17Å; L212-Y321 HydrophobicContact CB-CD1 4.37Å; L212-Y321 HydrophobicContact CB-CG 4.15Å; L212-Y321 HydrophobicContact CD1-CD1 4.29Å; L212-Y321 HydrophobicContact CD1-CD2 4.05Å; L212-Y321 HydrophobicContact CD1-CE1 4.24Å; L212-Y321 HydrophobicContact CD1-CE2 4.02Å; L212-Y321 HydrophobicContact CD1-CG 4.2Å; L212-Y321 HydrophobicContact CD2-CD2 3.83Å; L212-Y321 HydrophobicContact CD2-CE2 4.44Å; L212-Y321 HydrophobicContact CD2-CG 4.13Å; L212-Y321 HydrophobicContact CG-CD2 4.39Å; L212-Y321 HydrophobicContact CG-CG 4.39Å; L288-Y321 HydrophobicContact CD1-CE1 4.48Å; L288-Y321 HydrophobicContact CD2-CD1 4.3Å; L288-Y321 HydrophobicContact CD2-CE1 3.87Å; A318-Y321 WeakPolarHBondContact O-CB 3.22Å; A318-Y321 PolarHBondContact O-N 3.45Å; R319-Y321 PolarHBondContact O-N 3.3Å; R319-Y321 VanDerWaalsContact O-N 3.12Å; Y321-E323 VanDerWaalsContact C-N 3.34Å; Y321-L324 WeakPolarHBondContact O-CB 3.3Å; Y321-L324 PolarHBondContact O-N 3.08Å; Y321-M325 WeakPolarHBondContact O-CG 3.17Å; Y321-M325 PolarHBondContact O-N 3.48Å
322	L	92.6	Very high	90.5	Very high	2 Å²	2	8.4 Å²	8.4	1%	0.01	4%	0.041	C	C	.	.	H	α-helix	trans	-67.6	-36.5	173.7	-177.4	51.3	0	0	0	112	Q160 Y214 A318 R319 L324 M325 A326 D421 F422 I425	Q160-L322 HydrophobicContact CB-CD2 4.3Å; Y214-L322 HydrophobicContact CD1-CD1 3.55Å; Y214-L322 HydrophobicContact CD1-CD2 3.98Å; Y214-L322 HydrophobicContact CD1-CG 4.36Å; Y214-L322 HydrophobicContact CE1-CD1 3.83Å; Y214-L322 HydrophobicContact CE1-CD2 4.01Å; A318-L322 PolarHBondContact O-N 3.38Å; R319-L322 PolarHBondContact O-N 3.44Å; L322-L324 VanDerWaalsContact C-N 3.33Å; L322-M325 HydrophobicContact CD1-CB 4.46Å; L322-M325 PolarHBondContact O-N 3.47Å; L322-A326 PolarHBondContact O-N 3.21Å; L322-D421 HydrophobicContact CD2-CB 4.49Å; L322-F422 HydrophobicContact CD1-CD2 3.83Å; L322-I425 HydrophobicContact CB-CD1 4.34Å; L322-I425 HydrophobicContact CD1-CD1 4.17Å; L322-I425 HydrophobicContact CD2-CD1 3.09Å; L322-I425 HydrophobicContact CG-CD1 3.25Å
323	E	91.4	Very high	90.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.4	-40.9	171.4	-63.3	179.2	173.2	0	0	111.6	W287 R291 R319 Y321 A326 I327 F449	W287-E323 HydrophobicContact CH2-CB 3.78Å; R291-E323 IonicContact CZ-OE2 3.98Å; R291-E323 IonicContact NE-OE2 2.61Å; R291-E323 PolarHBondContact NE-OE2 3.49Å; R291-E323 IonicContact NH2-OE1 3.47Å; R291-E323 PolarHBondContact NH2-OE1 3.03Å; R291-E323 IonicContact NH2-OE2 3.71Å; R291-E323 PolarHBondContact NH2-OE2 2.97Å; R319-E323 HydrophobicContact CG-CG 4.19Å; R319-E323 WeakPolarHBondContact CG-OE1 3.4Å; R319-E323 IonicContact CZ-OE1 2.77Å; R319-E323 IonicContact NE-OE1 3.57Å; R319-E323 PolarHBondContact NE-OE1 3.37Å; R319-E323 IonicContact NH2-OE1 3.82Å; R319-E323 WeakPolarHBondContact O-CG 3.48Å; R319-E323 PolarHBondContact O-N 3.15Å; Y321-E323 VanDerWaalsContact C-N 3.34Å; E323-A326 PolarHBondContact O-N 3.05Å; E323-I327 WeakPolarHBondContact O-CG1 3.44Å; E323-I327 PolarHBondContact O-N 3.42Å; E323-F449 HydrophobicContact CB-CD1 4.16Å; E323-F449 HydrophobicContact CB-CD2 4.26Å; E323-F449 HydrophobicContact CB-CE1 3.65Å; E323-F449 HydrophobicContact CB-CE2 3.9Å; E323-F449 HydrophobicContact CB-CG 4.45Å; E323-F449 HydrophobicContact CB-CZ 3.56Å; E323-F449 VanDerWaalsContact CD-CD1 3.49Å; E323-F449 VanDerWaalsContact CD-CG 3.42Å; E323-F449 HydrophobicContact CG-CD1 3.51Å; E323-F449 HydrophobicContact CG-CD2 4.22Å; E323-F449 HydrophobicContact CG-CE1 3.42Å; E323-F449 VanDerWaalsContact CG-CE1 3.42Å; E323-F449 HydrophobicContact CG-CE2 4.28Å; E323-F449 HydrophobicContact CG-CG 3.93Å; E323-F449 HydrophobicContact CG-CZ 3.88Å; E323-F449 WeakPolarHBondContact OE1-CB 3.24Å
324	L	92.3	Very high	90.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.9	-41.7	173.3	177.5	62	0	0	0	112	F183 M280 L284 W287 L288 P320 Y321 L322 A326 I327 L328	F183-L324 HydrophobicContact CD1-CD2 4.37Å; F183-L324 HydrophobicContact CE1-CD2 3.61Å; F183-L324 HydrophobicContact CZ-CD2 4.23Å; M280-L324 HydrophobicContact SD-CD1 4.39Å; M280-L324 HydrophobicContact SD-CD2 3.83Å; L284-L324 HydrophobicContact CD1-CD1 4.29Å; L284-L324 HydrophobicContact CD2-CD1 4.22Å; W287-L324 HydrophobicContact CZ3-CB 4.34Å; L288-L324 HydrophobicContact CD1-CD2 4.47Å; L288-L324 HydrophobicContact CD2-CD2 3.81Å; P320-L324 WeakPolarHBondContact O-CB 3.36Å; P320-L324 PolarHBondContact O-N 3.29Å; Y321-L324 WeakPolarHBondContact O-CB 3.3Å; Y321-L324 PolarHBondContact O-N 3.08Å; L322-L324 VanDerWaalsContact C-N 3.33Å; L324-A326 VanDerWaalsContact C-N 3.25Å; L324-A326 PolarHBondContact O-N 3.47Å; L324-I327 WeakPolarHBondContact O-CB 3.47Å; L324-I327 PolarHBondContact O-N 3.24Å; L324-I327 VanDerWaalsContact O-N 3.11Å; L324-L328 HydrophobicContact CD1-CD1 4.17Å; L324-L328 HydrophobicContact CD1-CG 4.1Å; L324-L328 HydrophobicContact CG-CD1 4Å; L324-L328 HydrophobicContact CG-CG 4.36Å; L324-L328 WeakPolarHBondContact O-CG 3.09Å; L324-L328 PolarHBondContact O-N 3.48Å
325	M	93.4	Very high	90.8	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-59.7	-38.9	174.5	-70.9	-53.5	-169.6	0	0	111.5	F183 I187 L213 Y214 L216 Y321 L322 I327 L328 L329 F422	F183-M325 HydrophobicContact CE1-CE 4.48Å; F183-M325 HydrophobicContact CE2-CE 3.5Å; F183-M325 VanDerWaalsContact CE2-CE 3.5Å; F183-M325 HydrophobicContact CZ-CE 3.3Å; F183-M325 HydrophobicContact CZ-SD 4.05Å; I187-M325 HydrophobicContact CD1-CE 3.82Å; I187-M325 HydrophobicContact CD1-SD 3.89Å; I187-M325 HydrophobicContact CG1-CE 4.26Å; L213-M325 HydrophobicContact CD2-CE 4.3Å; L213-M325 WeakPolarHBondContact O-CE 3.38Å; Y214-M325 WeakPolarHBondContact O-CG 3.47Å; L216-M325 HydrophobicContact CD1-CE 4.12Å; Y321-M325 WeakPolarHBondContact O-CG 3.17Å; Y321-M325 PolarHBondContact O-N 3.48Å; L322-M325 HydrophobicContact CD1-CB 4.46Å; L322-M325 PolarHBondContact O-N 3.47Å; M325-I327 VanDerWaalsContact C-N 3.33Å; M325-L328 PolarHBondContact O-N 2.67Å; M325-L329 WeakPolarHBondContact O-CB 3.05Å; M325-L329 PolarHBondContact O-N 2.62Å; M325-L329 HydrophobicContact SD-CD1 4.48Å; M325-F422 HydrophobicContact CB-CE2 3.94Å
326	A	90.4	Very high	91.1	Very high	1 Å²	1	13 Å²	13	1%	0.008	6%	0.064	C	C	.	.	H	α-helix	trans	-67.6	-34.4	176.1	0	0	0	0	0	112.2	L322 E323 L324 G330 F422 I425 I426 V429	L322-A326 PolarHBondContact O-N 3.21Å; E323-A326 PolarHBondContact O-N 3.05Å; L324-A326 VanDerWaalsContact C-N 3.25Å; L324-A326 PolarHBondContact O-N 3.47Å; A326-G330 WeakPolarHBondContact O-CA 3.3Å; A326-G330 PolarHBondContact O-N 3.05Å; A326-F422 HydrophobicContact CB-CE2 4.2Å; A326-I425 HydrophobicContact CB-CG2 3.58Å; A326-I426 HydrophobicContact CB-CG1 4.45Å; A326-V429 HydrophobicContact CB-CG2 4.49Å
327	I	88	Confident	91.1	Very high	1 Å²	1	16 Å²	16	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-64.8	-44.7	172.5	-73.1	162.2	0	0	0	111.1	L284 W287 E323 L324 M325 L441 L442 F449	L284-I327 HydrophobicContact CD2-CG2 3.86Å; W287-I327 HydrophobicContact CD2-CD1 4.3Å; W287-I327 HydrophobicContact CE3-CD1 4.14Å; W287-I327 HydrophobicContact CH2-CD1 3.5Å; W287-I327 VanDerWaalsContact CH2-CD1 3.5Å; W287-I327 HydrophobicContact CZ2-CD1 3.64Å; W287-I327 HydrophobicContact CZ3-CD1 3.76Å; E323-I327 WeakPolarHBondContact O-CG1 3.44Å; E323-I327 PolarHBondContact O-N 3.42Å; L324-I327 WeakPolarHBondContact O-CB 3.47Å; L324-I327 PolarHBondContact O-N 3.24Å; L324-I327 VanDerWaalsContact O-N 3.11Å; M325-I327 VanDerWaalsContact C-N 3.33Å; I327-L441 HydrophobicContact CG1-CG 4.43Å; I327-L441 HydrophobicContact CG2-CD2 3.81Å; I327-L441 HydrophobicContact CG2-CG 4.35Å; I327-L442 HydrophobicContact CD1-CD2 3.83Å; I327-L442 HydrophobicContact CG2-CD2 4.39Å; I327-F449 HydrophobicContact CD1-CE2 4.3Å
328	L	91.3	Very high	91	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-74.7	-46.6	-175.9	-70.7	174.6	0	0	0	112.7	I187 L284 L324 M325 F378 Y389 L390 L393	I187-L328 HydrophobicContact CD1-CD1 3.79Å; L284-L328 HydrophobicContact CD1-CD2 3.64Å; L324-L328 HydrophobicContact CD1-CD1 4.17Å; L324-L328 HydrophobicContact CD1-CG 4.1Å; L324-L328 HydrophobicContact CG-CD1 4Å; L324-L328 HydrophobicContact CG-CG 4.36Å; L324-L328 WeakPolarHBondContact O-CG 3.09Å; L324-L328 PolarHBondContact O-N 3.48Å; M325-L328 PolarHBondContact O-N 2.67Å; L328-F378 WeakPolarHBondContact O-CZ 3.42Å; L328-Y389 HydrophobicContact CD1-CE1 4.22Å; L328-Y389 HydrophobicContact CD2-CD1 3.96Å; L328-Y389 HydrophobicContact CD2-CE1 3.79Å; L328-L390 HydrophobicContact CD2-CD2 4.34Å; L328-L390 WeakPolarHBondContact O-CD2 3.46Å; L328-L393 HydrophobicContact CD1-CD1 4.41Å
329	L	92.4	Very high	90.7	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-111.8	-14.4	-167.8	-54.4	178.7	0	0	0	112.8	L216 M325 R331 Y332 F378 V399 F403 F422	L216-L329 HydrophobicContact CD1-CD1 4.3Å; L216-L329 HydrophobicContact CD2-CD1 3.8Å; L216-L329 HydrophobicContact CG-CD1 4.22Å; M325-L329 WeakPolarHBondContact O-CB 3.05Å; M325-L329 PolarHBondContact O-N 2.62Å; M325-L329 HydrophobicContact SD-CD1 4.48Å; L329-R331 PolarHBondContact O-N 2.97Å; L329-Y332 VanDerWaalsContact O-CB 3.31Å; L329-Y332 WeakPolarHBondContact O-CB 3.31Å; L329-Y332 VanDerWaalsContact O-CD1 3.29Å; L329-Y332 WeakPolarHBondContact O-CD1 3.33Å; L329-Y332 PolarHBondContact O-N 2.65Å; L329-F378 HydrophobicContact CD2-CZ 4.26Å; L329-V399 HydrophobicContact CD2-CG1 4.34Å; L329-F403 HydrophobicContact CD2-CZ 4.03Å; L329-F422 HydrophobicContact CB-CZ 3.93Å
330	G	89.9	Confident	90.2	Very high	5 Å²	5	27.7 Å²	27.7	5%	0.052	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-64.9	-17.2	-169.4	0	0	0	0	0	115.9	A326 Y332 I426	A326-G330 WeakPolarHBondContact O-CA 3.3Å; A326-G330 PolarHBondContact O-N 3.05Å; G330-Y332 VanDerWaalsContact C-N 3.26Å; G330-Y332 PolarHBondContact O-N 3.07Å; G330-I426 WeakPolarHBondContact O-CG2 3.34Å
331	R	86.5	Confident	89	Confident	47 Å²	47	32.5 Å²	32.5	18%	0.177	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-82	0.2	175.4	-58.6	-166.5	81.5	152.2	5.9	114	L329 R333 S334 S381 I431 K433	L329-R331 PolarHBondContact O-N 2.97Å; R331-R333 PolarHBondContact O-N 2.84Å; R331-R333 VanDerWaalsContact O-N 3.09Å; R331-S334 PolarHBondContact O-N 3.35Å; R331-S334 PolarHBondContact O-OG 2.96Å; R331-S381 WeakPolarHBondContact CD-O 3.4Å; R331-S381 PolarHBondContact NE-O 3.08Å; R331-S381 PolarHBondContact NH1-O 2.68Å; R331-I431 HydrophobicContact CG-CD1 3.58Å; R331-I431 HydrophobicContact CG-CG2 4.49Å; R331-K433 PolarHBondContact NH2-O 2.8Å
332	Y	91.5	Very high	87.2	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-56.1	-31.2	-175.8	84.1	-82.6	0	0	0	113.8	L329 G330 S334 A335 L336 F402 F403 R406 I417 F422 E423 I426	L329-Y332 VanDerWaalsContact O-CB 3.31Å; L329-Y332 WeakPolarHBondContact O-CB 3.31Å; L329-Y332 VanDerWaalsContact O-CD1 3.29Å; L329-Y332 WeakPolarHBondContact O-CD1 3.33Å; L329-Y332 PolarHBondContact O-N 2.65Å; G330-Y332 VanDerWaalsContact C-N 3.26Å; G330-Y332 PolarHBondContact O-N 3.07Å; Y332-S334 PolarHBondContact O-N 2.9Å; Y332-A335 WeakPolarHBondContact O-CA 3.31Å; Y332-A335 WeakPolarHBondContact O-CB 3.41Å; Y332-A335 PolarHBondContact O-N 3.45Å; Y332-L336 HydrophobicContact CD2-CD1 4Å; Y332-L336 HydrophobicContact CD2-CG 4.32Å; Y332-L336 HydrophobicContact CE2-CD1 3.82Å; Y332-L336 PolarHBondContact O-N 3.45Å; Y332-F402 HydrophobicContact CD1-CE1 4.4Å; Y332-F402 HydrophobicContact CE1-CE1 4.47Å; Y332-F402 HydrophobicContact CE1-CZ 4.35Å; Y332-F403 HydrophobicContact CD2-CD1 4.08Å; Y332-F403 HydrophobicContact CD2-CE1 4.2Å; Y332-F403 HydrophobicContact CG-CD1 4.17Å; Y332-F403 AromaticContact CG-CE1 3.81Å; Y332-F403 HydrophobicContact CG-CE1 3.81Å; Y332-R406 HydrophobicContact CE2-CB 3.88Å; Y332-R406 HydrophobicContact CE2-CG 3.74Å; Y332-R406 PolarHBondContact OH-NE 3.04Å; Y332-I417 HydrophobicContact CE2-CD1 3.89Å; Y332-I417 WeakPolarHBondContact OH-CD1 3.3Å; Y332-F422 HydrophobicContact CE1-CE1 4.15Å; Y332-E423 PolarHBondContact OH-OE1 3.31Å; Y332-E423 PolarHBondContact OH-OE2 3.36Å; Y332-I426 HydrophobicContact CD1-CD1 4.32Å; Y332-I426 HydrophobicContact CE1-CD1 3.79Å
333	R	90.3	Very high	85	Confident	88 Å²	88	43.4 Å²	43.4	33%	0.332	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-56.6	-33.3	176.7	-58.3	-172.7	-166.8	145.4	-10.3	113	R331 A335 L336 E423 D427	R331-R333 PolarHBondContact O-N 2.84Å; R331-R333 VanDerWaalsContact O-N 3.09Å; R333-A335 PolarHBondContact O-N 3.35Å; R333-L336 PolarHBondContact O-N 2.95Å; R333-E423 IonicContact CZ-OE2 3.43Å; R333-E423 IonicContact NE-OE2 3.45Å; R333-E423 PolarHBondContact NE-OE2 3.39Å; R333-E423 PolarHBondContact NH2-O 2.79Å; R333-E423 IonicContact NH2-OE2 3.33Å; R333-E423 PolarHBondContact NH2-OE2 3.46Å; R333-D427 IonicContact CZ-OD1 2.88Å; R333-D427 VanDerWaalsContact CZ-OD1 3.23Å; R333-D427 IonicContact NH1-OD1 2.71Å; R333-D427 PolarHBondContact NH1-OD1 2.7Å; R333-D427 IonicContact NH2-OD1 2.95Å; R333-D427 PolarHBondContact NH2-OD1 3Å
334	S	85.9	Confident	82.9	Confident	64 Å²	64	47 Å²	47	45%	0.448	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-73.4	-17.2	177.2	66.9	0	0	0	0	113.9	R331 Y332 V377	R331-S334 PolarHBondContact O-N 3.35Å; R331-S334 PolarHBondContact O-OG 2.96Å; Y332-S334 PolarHBondContact O-N 2.9Å; S334-V377 WeakPolarHBondContact O-CG1 3.34Å
335	A	91.8	Very high	80.6	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-94.1	-6.8	176	0	0	0	0	0	112.8	Y332 R333 Q337 F373 N374 V377 F378	Y332-A335 WeakPolarHBondContact O-CA 3.31Å; Y332-A335 WeakPolarHBondContact O-CB 3.41Å; Y332-A335 PolarHBondContact O-N 3.45Å; R333-A335 PolarHBondContact O-N 3.35Å; A335-Q337 PolarHBondContact O-N 2.99Å; A335-F373 HydrophobicContact CB-CD2 3.98Å; A335-F373 HydrophobicContact CB-CE2 3.6Å; A335-F373 HydrophobicContact CB-CZ 4.18Å; A335-N374 WeakPolarHBondContact CB-O 3.31Å; A335-N374 PolarHBondContact O-N 3.42Å; A335-V377 HydrophobicContact CB-CB 4.46Å; A335-V377 HydrophobicContact CB-CG1 4.38Å; A335-F378 HydrophobicContact CB-CB 3.58Å; A335-F378 HydrophobicContact CB-CD2 4.45Å; A335-F378 HydrophobicContact CB-CG 4.48Å
336	L	92.6	Very high	78.3	Confident	20 Å²	20	59.8 Å²	59.8	11%	0.105	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	118.5	171.9	-61.4	171.8	0	0	0	108.8	Y332 R333 W371 F372 F373 V407 L410 I417	Y332-L336 HydrophobicContact CD2-CD1 4Å; Y332-L336 HydrophobicContact CD2-CG 4.32Å; Y332-L336 HydrophobicContact CE2-CD1 3.82Å; Y332-L336 PolarHBondContact O-N 3.45Å; R333-L336 PolarHBondContact O-N 2.95Å; L336-W371 HydrophobicContact CB-CE3 4.14Å; L336-W371 HydrophobicContact CB-CZ3 4.3Å; L336-F372 WeakPolarHBondContact CA-O 3.42Å; L336-F373 HydrophobicContact CD2-CB 4.42Å; L336-F373 HydrophobicContact CD2-CD2 4.06Å; L336-V407 HydrophobicContact CD2-CG2 3.66Å; L336-L410 HydrophobicContact CD1-CD1 3.77Å; L336-I417 HydrophobicContact CD1-CD1 3.87Å
337	Q	91.6	Very high	76.1	Confident	69 Å²	69	67.2 Å²	67.2	32%	0.322	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	141.8	-178	-67.1	-177.1	-31.2	0	0	109.6	A335 W371 F372 N374	A335-Q337 PolarHBondContact O-N 2.99Å; Q337-W371 CarbonylContact O-C 3.57Å; Q337-W371 WeakPolarHBondContact O-CA 3.41Å; Q337-F372 HydrophobicContact CB-CD1 4.19Å; Q337-F372 HydrophobicContact CB-CE1 3.55Å; Q337-F372 HydrophobicContact CB-CE2 4.24Å; Q337-F372 HydrophobicContact CB-CZ 3.59Å; Q337-F372 HydrophobicContact CG-CZ 4.44Å; Q337-F372 PolarHBondContact N-O 3.45Å; Q337-F372 WeakPolarHBondContact O-CD1 3.06Å; Q337-F372 PolarHBondContact O-N 3.46Å; Q337-F372 VanDerWaalsContact OE1-CZ 3.27Å; Q337-N374 HydrophobicContact CG-CB 4.42Å; Q337-N374 PolarHBondContact OE1-ND2 3.28Å
338	H	89.4	Confident	73.9	Confident	80 Å²	80	73.5 Å²	73.5	37%	0.37	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	126.1	173.6	-176.6	-93.3	0	0	0	108.7	E340 G369 W371	H338-E340 WeakPolarHBondContact ND1-CG 2.83Å; H338-G369 PolarHBondContact NE2-O 3.3Å; H338-W371 HydrophobicContact CB-CD2 4.03Å; H338-W371 HydrophobicContact CB-CE3 4.06Å; H338-W371 HydrophobicContact CB-CH2 4.22Å; H338-W371 HydrophobicContact CB-CZ2 4.18Å; H338-W371 HydrophobicContact CB-CZ3 4.17Å; H338-W371 AromaticContact CD2-CD1 3.85Å; H338-W371 AromaticContact CD2-CE2 3.95Å; H338-W371 AromaticContact CD2-NE1 3.69Å
339	N	86.4	Confident	71.6	Confident	58 Å²	58	78.9 Å²	78.9	31%	0.31	44%	0.439	S	S	.	.			trans	-95.6	99.3	178.6	-178.6	38.9	0	0	0	109.3	R367 G369 G370 F372	N339-R367 VanDerWaalsContact CB-O 3.31Å; N339-R367 WeakPolarHBondContact CB-O 3.29Å; N339-R367 PolarHBondContact ND2-O 2.8Å; N339-G369 VanDerWaalsContact O-CA 3.28Å; N339-G369 WeakPolarHBondContact O-CA 3.32Å; N339-G369 PolarHBondContact O-N 2.91Å; N339-G370 PolarHBondContact N-O 3.45Å; N339-G370 VanDerWaalsContact N-O 3.09Å; N339-F372 HydrophobicContact CB-CD1 4.38Å; N339-F372 HydrophobicContact CB-CE1 4.06Å
340	E	79.7	Confident	69.2	Low	144 Å²	144	86 Å²	86	67%	0.673	48%	0.475	S	S	*	.			trans	-70.9	146.2	179.4	-67.9	-177.1	176.6	0	0	111.8	H338 S342	H338-E340 WeakPolarHBondContact ND1-CG 2.83Å; E340-S342 VanDerWaalsContact C-N 3.28Å; E340-S342 PolarHBondContact O-N 3.38Å
341	V	66.9	Low	66.9	Low	101 Å²	101	93.6 Å²	93.6	61%	0.612	51%	0.509	S	S	*	.			trans	-66.7	91.4	169.4	-172.3	0	0	0	0	107.4	T343 I368	V341-T343 PolarHBondContact O-N 2.99Å; V341-T343 VanDerWaalsContact O-N 3.16Å; V341-I368 HydrophobicContact CG2-CG2 3.68Å
342	S	56.4	Low	64.5	Low	87 Å²	87	95.4 Å²	95.4	61%	0.608	53%	0.529	S	S	*	.			trans	-62.2	120.4	168	-63.3	0	0	0	0	106.9	E340 S344	E340-S342 VanDerWaalsContact C-N 3.28Å; E340-S342 PolarHBondContact O-N 3.38Å; S342-S344 PolarHBondContact O-N 3.2Å
343	T	46.1	Very low	62.5	Low	144 Å²	144	101.2 Å²	101.2	88%	0.883	57%	0.567	S	S	*	*	S	Bend	trans	-66.9	23.1	174.1	42.2	0	0	0	0	113.2	V341	V341-T343 PolarHBondContact O-N 2.99Å; V341-T343 VanDerWaalsContact O-N 3.16Å
344	S	48.8	Very low	60.1	Low	76 Å²	76	103.8 Å²	103.8	53%	0.531	59%	0.587	S	S	.	*			trans	-87	109.2	166.5	54.5	0	0	0	0	108.2	S342 D346	S342-S344 PolarHBondContact O-N 3.2Å; S344-D346 PolarHBondContact O-N 3.4Å
345	V	42.5	Very low	58	Low	131 Å²	131	106.6 Å²	106.6	79%	0.794	60%	0.597	S	S	*	*			trans	-66.3	71.1	172.4	-171.5	0	0	0	0	109
346	D	46.6	Very low	55.7	Low	137 Å²	137	115.9 Å²	115.9	73%	0.733	64%	0.641	S	S	*	*			trans	-102.9	106.4	164	-75	-34.3	0	0	0	106.7	S344 L348	S344-D346 PolarHBondContact O-N 3.4Å; D346-L348 VanDerWaalsContact C-N 3.34Å; D346-L348 PolarHBondContact O-N 3.45Å
347	L	42.7	Very low	53.3	Low	158 Å²	158	118.9 Å²	118.9	83%	0.827	66%	0.664	S	S	*	*			trans	-52.1	90.3	-179.6	-63.9	160.6	0	0	0	110.1
348	L	43.7	Very low	51	Low	133 Å²	133	127 Å²	127	70%	0.696	69%	0.691	S	S	*	*			trans	-61.9	135.7	158.6	-73.2	174.1	0	0	0	107.1	D346 I350	D346-L348 VanDerWaalsContact C-N 3.34Å; D346-L348 PolarHBondContact O-N 3.45Å; L348-I350 PolarHBondContact O-N 2.9Å; L348-I350 VanDerWaalsContact O-N 3.15Å
349	P	42.7	Very low	49.2	Very low	112 Å²	112	126.6 Å²	126.6	73%	0.727	70%	0.697	S	S	*	*			trans	-57.9	126.6	-169.5	-15	25.8	0	0	0	108.8	Q351	P349-Q351 VanDerWaalsContact C-N 3.29Å; P349-Q351 PolarHBondContact O-N 3.27Å
350	I	41.3	Very low	47.8	Very low	152 Å²	152	132.2 Å²	132.2	78%	0.779	72%	0.722	S	S	*	*			trans	-55.2	99.6	171.8	-61	168.4	0	0	0	106.3	L348 S352	L348-I350 PolarHBondContact O-N 2.9Å; L348-I350 VanDerWaalsContact O-N 3.15Å; I350-S352 PolarHBondContact O-N 3.36Å
351	Q	41.1	Very low	47.1	Very low	164 Å²	164	128.6 Å²	128.6	77%	0.766	71%	0.707	S	S	*	*			trans	-59	123.7	166.1	-85	171.3	-17.2	0	0	106	P349	P349-Q351 VanDerWaalsContact C-N 3.29Å; P349-Q351 PolarHBondContact O-N 3.27Å
352	S	37.4	Very low	47.8	Very low	85 Å²	85	129.8 Å²	129.8	59%	0.594	70%	0.704	S	S	*	*			trans	-56.5	135.4	-174.7	-69.5	0	0	0	0	109.4	I350 N354 D355	I350-S352 PolarHBondContact O-N 3.36Å; S352-N354 PolarHBondContact O-N 3.42Å; S352-D355 PolarHBondContact O-N 3.12Å
353	P	48.6	Very low	49.4	Very low	122 Å²	122	126.1 Å²	126.1	79%	0.792	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	10.8	-167.9	26.7	-33.8	0	0	0	115.1
354	N	39.7	Very low	51.4	Low	142 Å²	142	121 Å²	121	76%	0.759	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.9	4	-176	-70.6	-0.4	0	0	0	114.4	S352 E356	S352-N354 PolarHBondContact O-N 3.42Å; N354-E356 PolarHBondContact O-N 2.78Å; N354-E356 VanDerWaalsContact O-N 3.13Å
355	D	42.1	Very low	53.3	Low	123 Å²	123	121.6 Å²	121.6	66%	0.658	64%	0.639	S	S	*	*			trans	-83.6	85.5	169	-82.2	-27.7	0	0	0	109.4	S352 S357	S352-D355 PolarHBondContact O-N 3.12Å; D355-S357 CarbonylContact O-C 3.55Å; D355-S357 PolarHBondContact O-N 3.29Å
356	E	43.6	Very low	55.3	Low	195 Å²	195	119.3 Å²	119.3	91%	0.911	63%	0.627	S	S	*	*			trans	-61	0.3	167.1	-74.5	-160	153.2	0	0	113.3	N354 R358	N354-E356 PolarHBondContact O-N 2.78Å; N354-E356 VanDerWaalsContact O-N 3.13Å; E356-R358 PolarHBondContact O-N 3.4Å
357	S	43.1	Very low	56.9	Low	84 Å²	84	116.2 Å²	116.2	59%	0.587	61%	0.605	S	S	*	*			trans	-68.2	77.4	151.5	61.7	0	0	0	0	108.3	D355 S359	D355-S357 CarbonylContact O-C 3.55Å; D355-S357 PolarHBondContact O-N 3.29Å; S357-S359 PolarHBondContact O-N 2.89Å
358	R	43.2	Very low	58.7	Low	238 Å²	238	114.6 Å²	114.6	90%	0.898	60%	0.596	S	S	*	*			trans	-47.2	95.7	147.4	-107	-178.2	173.5	-161.5	-1.4	104.4	E356 Q360	E356-R358 PolarHBondContact O-N 3.4Å; R358-Q360 VanDerWaalsContact C-N 3.34Å; R358-Q360 PolarHBondContact O-N 3.5Å
359	S	50.6	Low	60.6	Low	72 Å²	72	110.3 Å²	110.3	50%	0.503	58%	0.584	S	S	.	*			trans	-53.7	112.1	171.7	47.9	0	0	0	0	103.1	S357 D361	S357-S359 PolarHBondContact O-N 2.89Å; S359-D361 PolarHBondContact O-N 2.78Å; S359-D361 PolarHBondContact OG-OD1 3.35Å; S359-D361 VanDerWaalsContact OG-OD1 3.13Å
360	Q	56.6	Low	62.8	Low	176 Å²	176	105.2 Å²	105.2	82%	0.822	55%	0.552	S	S	*	*			trans	-66.6	90	175.1	-170	162.8	-11.8	0	0	103.6	R358 K362	R358-Q360 VanDerWaalsContact C-N 3.34Å; R358-Q360 PolarHBondContact O-N 3.5Å; Q360-K362 PolarHBondContact O-N 3.18Å; Q360-K362 VanDerWaalsContact O-N 3.15Å
361	D	65	Low	65.3	Low	68 Å²	68	102 Å²	102	36%	0.364	53%	0.53	S	S	.	.			trans	-52.2	129.2	-170.1	-69.5	-27	0	0	0	106.1	S359 R367	S359-D361 PolarHBondContact O-N 2.78Å; S359-D361 PolarHBondContact OG-OD1 3.35Å; S359-D361 VanDerWaalsContact OG-OD1 3.13Å; D361-R367 VanDerWaalsContact C-NH2 3.32Å; D361-R367 HydrophobicContact CB-CG 3.99Å; D361-R367 VanDerWaalsContact O-CZ 3.32Å; D361-R367 PolarHBondContact O-NH2 3.37Å
362	K	82.6	Confident	67.8	Low	126 Å²	126	95.1 Å²	95.1	55%	0.548	50%	0.497	S	S	.	.			trans	-69.5	154.7	-177.9	-63.2	-176.8	176.4	-179.4	0	109.1	Q360 D364 Q365 R367	Q360-K362 PolarHBondContact O-N 3.18Å; Q360-K362 VanDerWaalsContact O-N 3.15Å; K362-D364 WeakPolarHBondContact CB-OD1 3.17Å; K362-D364 PolarHBondContact O-N 3.18Å; K362-Q365 HydrophobicContact CB-CB 4.48Å; K362-Q365 HydrophobicContact CB-CG 4.06Å; K362-Q365 PolarHBondContact O-N 3.45Å; K362-R367 VanDerWaalsContact C-NH2 3.33Å; K362-R367 PolarHBondContact O-NH2 2.74Å
363	F	89.2	Confident	70.6	Confident	10 Å²	10	91 Å²	91	4%	0.044	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.5	-179.8	78.4	-78.9	0	0	0	112.8	F372 F373 I400 F403 E404 V407	F363-F372 WeakPolarHBondContact O-CA 3.13Å; F363-F373 HydrophobicContact CD2-CB 3.64Å; F363-F373 HydrophobicContact CD2-CD1 4.35Å; F363-F373 HydrophobicContact CD2-CG 4.27Å; F363-F373 HydrophobicContact CE2-CB 3.77Å; F363-F373 AromaticContact CE2-CD1 3.58Å; F363-F373 HydrophobicContact CE2-CD1 3.58Å; F363-F373 HydrophobicContact CE2-CE1 4.44Å; F363-F373 AromaticContact CE2-CG 3.9Å; F363-F373 HydrophobicContact CE2-CG 3.9Å; F363-F373 HydrophobicContact CZ-CD1 4.41Å; F363-F373 PolarHBondContact O-N 3.42Å; F363-I400 HydrophobicContact CD1-CG2 4.42Å; F363-I400 HydrophobicContact CE1-CG2 3.72Å; F363-I400 HydrophobicContact CZ-CG2 4.27Å; F363-F403 HydrophobicContact CD2-CB 4.08Å; F363-F403 HydrophobicContact CE2-CB 3.61Å; F363-F403 HydrophobicContact CZ-CB 4.46Å; F363-E404 HydrophobicContact CB-CB 4.02Å; F363-E404 HydrophobicContact CB-CG 4.05Å; F363-E404 HydrophobicContact CD1-CB 4.17Å; F363-E404 HydrophobicContact CD2-CB 4.48Å; F363-E404 HydrophobicContact CG-CB 3.96Å; F363-E404 HydrophobicContact CG-CG 4.46Å; F363-V407 HydrophobicContact CB-CB 4.43Å; F363-V407 HydrophobicContact CB-CG1 4.42Å; F363-V407 HydrophobicContact CD2-CG2 4.4Å
364	D	88.4	Confident	72.7	Confident	38 Å²	38	87.2 Å²	87.2	20%	0.203	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	6.7	-177.7	58	-1.2	0	0	0	113.9	K362 F373 R375	K362-D364 WeakPolarHBondContact CB-OD1 3.17Å; K362-D364 PolarHBondContact O-N 3.18Å; D364-F373 WeakPolarHBondContact CA-O 3.33Å; D364-F373 WeakPolarHBondContact CB-O 2.97Å; D364-R375 HydrophobicContact CB-CG 4.31Å; D364-R375 IonicContact OD2-CZ 3.3Å; D364-R375 IonicContact OD2-NE 3.2Å; D364-R375 PolarHBondContact OD2-NE 2.84Å; D364-R375 IonicContact OD2-NH2 2.72Å; D364-R375 PolarHBondContact OD2-NH2 3.35Å
365	Q	87.8	Confident	75.3	Confident	88 Å²	88	84.2 Å²	84.2	41%	0.411	42%	0.42	S	S	.	.	S	Bend	trans	-104.5	136.2	176.4	-72.7	177.6	-21	0	0	110.8	K362 R367 F372	K362-Q365 HydrophobicContact CB-CB 4.48Å; K362-Q365 HydrophobicContact CB-CG 4.06Å; K362-Q365 PolarHBondContact O-N 3.45Å; Q365-R367 PolarHBondContact O-N 3.23Å; Q365-F372 VanDerWaalsContact O-CB 3.24Å; Q365-F372 WeakPolarHBondContact O-CB 3.48Å
366	P	85.5	Confident	77.7	Confident	83 Å²	83	81.4 Å²	81.4	54%	0.539	41%	0.414	S	S	.	.			trans	-59.3	130.6	174.7	-20.3	30.8	0	0	0	111.3	F372	P366-F372 HydrophobicContact CB-CD1 4.22Å; P366-F372 HydrophobicContact CB-CE1 4.06Å; P366-F372 HydrophobicContact CB-CE2 4.44Å; P366-F372 HydrophobicContact CB-CG 4.48Å; P366-F372 HydrophobicContact CB-CZ 4.17Å; P366-F372 HydrophobicContact CG-CD2 4.2Å; P366-F372 HydrophobicContact CG-CE1 4.32Å; P366-F372 HydrophobicContact CG-CE2 3.86Å; P366-F372 HydrophobicContact CG-CZ 3.92Å
367	R	79.7	Confident	80	Confident	71 Å²	71	74.1 Å²	74.1	27%	0.268	38%	0.383	S	S	.	.			trans	-118.3	142.6	173.5	-56.8	-177.7	-153.3	-171.4	1.1	109.3	N339 D361 K362 Q365 G369 G370	N339-R367 VanDerWaalsContact CB-O 3.31Å; N339-R367 WeakPolarHBondContact CB-O 3.29Å; N339-R367 PolarHBondContact ND2-O 2.8Å; D361-R367 VanDerWaalsContact C-NH2 3.32Å; D361-R367 HydrophobicContact CB-CG 3.99Å; D361-R367 VanDerWaalsContact O-CZ 3.32Å; D361-R367 PolarHBondContact O-NH2 3.37Å; K362-R367 VanDerWaalsContact C-NH2 3.33Å; K362-R367 PolarHBondContact O-NH2 2.74Å; Q365-R367 PolarHBondContact O-N 3.23Å; R367-G369 PolarHBondContact O-N 3.29Å; R367-G370 PolarHBondContact O-N 3.25Å
368	I	81	Confident	82.3	Confident	124 Å²	124	70.1 Å²	70.1	64%	0.636	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	121.8	-179.8	-61.5	173.7	0	0	0	109.2	V341 G370	V341-I368 HydrophobicContact CG2-CG2 3.68Å; I368-G370 VanDerWaalsContact C-N 3.28Å; I368-G370 PolarHBondContact O-N 2.97Å
369	G	84.2	Confident	84.6	Confident	43 Å²	43	59.6 Å²	59.6	44%	0.443	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	20.2	179.8	0	0	0	0	0	114.8	H338 N339 R367	H338-G369 PolarHBondContact NE2-O 3.3Å; N339-G369 VanDerWaalsContact O-CA 3.28Å; N339-G369 WeakPolarHBondContact O-CA 3.32Å; N339-G369 PolarHBondContact O-N 2.91Å; R367-G369 PolarHBondContact O-N 3.29Å
370	G	89.2	Confident	86.3	Confident	6 Å²	6	60.5 Å²	60.5	6%	0.062	32%	0.32	C	S	.	.	S	Bend	trans	-128.2	159.2	-176.5	0	0	0	0	0	113.8	N339 R367 I368	N339-G370 PolarHBondContact N-O 3.45Å; N339-G370 VanDerWaalsContact N-O 3.09Å; R367-G370 PolarHBondContact O-N 3.25Å; I368-G370 VanDerWaalsContact C-N 3.28Å; I368-G370 PolarHBondContact O-N 2.97Å
371	W	93	Very high	87.6	Confident	84 Å²	84	53.2 Å²	53.2	32%	0.318	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	141.4	168.7	-67.6	90.1	0	0	0	111.1	L336 Q337 H338 V407 L410 N411	L336-W371 HydrophobicContact CB-CE3 4.14Å; L336-W371 HydrophobicContact CB-CZ3 4.3Å; Q337-W371 CarbonylContact O-C 3.57Å; Q337-W371 WeakPolarHBondContact O-CA 3.41Å; H338-W371 HydrophobicContact CB-CD2 4.03Å; H338-W371 HydrophobicContact CB-CE3 4.06Å; H338-W371 HydrophobicContact CB-CH2 4.22Å; H338-W371 HydrophobicContact CB-CZ2 4.18Å; H338-W371 HydrophobicContact CB-CZ3 4.17Å; H338-W371 AromaticContact CD2-CD1 3.85Å; H338-W371 AromaticContact CD2-CE2 3.95Å; H338-W371 AromaticContact CD2-NE1 3.69Å; W371-V407 WeakPolarHBondContact O-CG1 3.46Å; W371-L410 HydrophobicContact CB-CB 4.1Å; W371-L410 HydrophobicContact CB-CD1 4.36Å; W371-L410 HydrophobicContact CD2-CB 4.49Å; W371-L410 HydrophobicContact CD2-CD1 4.01Å; W371-L410 HydrophobicContact CE3-CD1 4.15Å; W371-L410 HydrophobicContact CG-CB 3.88Å; W371-L410 HydrophobicContact CG-CD1 4.11Å; W371-N411 WeakPolarHBondContact CB-OD1 3.34Å; W371-N411 PolarHBondContact N-OD1 2.67Å; W371-N411 PolarHBondContact O-ND2 3.37Å
372	F	94.2	Very high	88.2	Confident	19 Å²	19	50.3 Å²	50.3	8%	0.083	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	162.4	172.5	71.6	-79.6	0	0	0	111	L336 Q337 N339 F363 Q365 P366 N374	L336-F372 WeakPolarHBondContact CA-O 3.42Å; Q337-F372 HydrophobicContact CB-CD1 4.19Å; Q337-F372 HydrophobicContact CB-CE1 3.55Å; Q337-F372 HydrophobicContact CB-CE2 4.24Å; Q337-F372 HydrophobicContact CB-CZ 3.59Å; Q337-F372 HydrophobicContact CG-CZ 4.44Å; Q337-F372 PolarHBondContact N-O 3.45Å; Q337-F372 WeakPolarHBondContact O-CD1 3.06Å; Q337-F372 PolarHBondContact O-N 3.46Å; Q337-F372 VanDerWaalsContact OE1-CZ 3.27Å; N339-F372 HydrophobicContact CB-CD1 4.38Å; N339-F372 HydrophobicContact CB-CE1 4.06Å; F363-F372 WeakPolarHBondContact O-CA 3.13Å; Q365-F372 VanDerWaalsContact O-CB 3.24Å; Q365-F372 WeakPolarHBondContact O-CB 3.48Å; P366-F372 HydrophobicContact CB-CD1 4.22Å; P366-F372 HydrophobicContact CB-CE1 4.06Å; P366-F372 HydrophobicContact CB-CE2 4.44Å; P366-F372 HydrophobicContact CB-CG 4.48Å; P366-F372 HydrophobicContact CB-CZ 4.17Å; P366-F372 HydrophobicContact CG-CD2 4.2Å; P366-F372 HydrophobicContact CG-CE1 4.32Å; P366-F372 HydrophobicContact CG-CE2 3.86Å; P366-F372 HydrophobicContact CG-CZ 3.92Å; F372-N374 HydrophobicContact CE2-CB 4.22Å
373	F	95	Very high	87.9	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	115.7	179.9	-179.5	-99	0	0	0	112.2	A335 L336 F363 D364 R375 F378 L394 F403 V407	A335-F373 HydrophobicContact CB-CD2 3.98Å; A335-F373 HydrophobicContact CB-CE2 3.6Å; A335-F373 HydrophobicContact CB-CZ 4.18Å; L336-F373 HydrophobicContact CD2-CB 4.42Å; L336-F373 HydrophobicContact CD2-CD2 4.06Å; F363-F373 HydrophobicContact CD2-CB 3.64Å; F363-F373 HydrophobicContact CD2-CD1 4.35Å; F363-F373 HydrophobicContact CD2-CG 4.27Å; F363-F373 HydrophobicContact CE2-CB 3.77Å; F363-F373 AromaticContact CE2-CD1 3.58Å; F363-F373 HydrophobicContact CE2-CD1 3.58Å; F363-F373 HydrophobicContact CE2-CE1 4.44Å; F363-F373 AromaticContact CE2-CG 3.9Å; F363-F373 HydrophobicContact CE2-CG 3.9Å; F363-F373 HydrophobicContact CZ-CD1 4.41Å; F363-F373 PolarHBondContact O-N 3.42Å; D364-F373 WeakPolarHBondContact CA-O 3.33Å; D364-F373 WeakPolarHBondContact CB-O 2.97Å; F373-R375 HydrophobicContact CD1-CG 4.12Å; F373-R375 HydrophobicContact CE1-CG 4.08Å; F373-R375 PolarHBondContact O-N 3.09Å; F373-F378 HydrophobicContact CE1-CB 4.26Å; F373-F378 HydrophobicContact CE2-CB 4.19Å; F373-F378 HydrophobicContact CE2-CD2 4.38Å; F373-F378 HydrophobicContact CE2-CG 4.31Å; F373-F378 HydrophobicContact CZ-CB 3.57Å; F373-F378 HydrophobicContact CZ-CD1 4.05Å; F373-F378 HydrophobicContact CZ-CD2 4.1Å; F373-F378 AromaticContact CZ-CG 3.63Å; F373-F378 HydrophobicContact CZ-CG 3.63Å; F373-L394 HydrophobicContact CE1-CD2 3.93Å; F373-L394 HydrophobicContact CZ-CD2 4.35Å; F373-F403 HydrophobicContact CD1-CD2 4.37Å; F373-F403 HydrophobicContact CD2-CB 4.39Å; F373-F403 HydrophobicContact CD2-CD1 4.4Å; F373-F403 HydrophobicContact CD2-CG 4.25Å; F373-F403 AromaticContact CE1-CD2 3.77Å; F373-F403 HydrophobicContact CE1-CD2 3.77Å; F373-F403 HydrophobicContact CE1-CE2 4.06Å; F373-F403 HydrophobicContact CE1-CG 4.26Å; F373-F403 AromaticContact CE2-CD1 3.94Å; F373-F403 HydrophobicContact CE2-CD1 3.94Å; F373-F403 HydrophobicContact CE2-CD2 4.13Å; F373-F403 HydrophobicContact CE2-CE1 4.14Å; F373-F403 HydrophobicContact CE2-CE2 4.27Å; F373-F403 AromaticContact CE2-CG 3.96Å; F373-F403 HydrophobicContact CE2-CG 3.96Å; F373-F403 HydrophobicContact CE2-CZ 4.27Å; F373-F403 HydrophobicContact CG-CB 4.35Å; F373-F403 HydrophobicContact CZ-CD1 4.23Å; F373-F403 AromaticContact CZ-CD2 3.62Å; F373-F403 HydrophobicContact CZ-CD2 3.62Å; F373-F403 HydrophobicContact CZ-CE1 4.25Å; F373-F403 AromaticContact CZ-CE2 3.6Å; F373-F403 HydrophobicContact CZ-CE2 3.6Å; F373-F403 AromaticContact CZ-CG 3.94Å; F373-F403 HydrophobicContact CZ-CG 3.94Å; F373-F403 AromaticContact CZ-CZ 3.93Å; F373-F403 HydrophobicContact CZ-CZ 3.93Å; F373-V407 HydrophobicContact CB-CG2 3.92Å
374	N	93.8	Very high	87.6	Confident	42 Å²	42	52 Å²	52	23%	0.225	29%	0.288	C	S	.	.			trans	-88.2	100.4	178.2	-170.7	-39.3	0	0	0	111.7	A335 Q337 F372 A376 V377 F378	A335-N374 WeakPolarHBondContact CB-O 3.31Å; A335-N374 PolarHBondContact O-N 3.42Å; Q337-N374 HydrophobicContact CG-CB 4.42Å; Q337-N374 PolarHBondContact OE1-ND2 3.28Å; F372-N374 HydrophobicContact CE2-CB 4.22Å; N374-A376 VanDerWaalsContact C-N 3.32Å; N374-A376 PolarHBondContact O-N 3.04Å; N374-A376 PolarHBondContact OD1-N 3.07Å; N374-A376 VanDerWaalsContact OD1-N 3.15Å; N374-V377 HydrophobicContact CB-CB 4.03Å; N374-V377 HydrophobicContact CB-CG2 4.04Å; N374-V377 VanDerWaalsContact CG-CG2 3.44Å; N374-V377 PolarHBondContact O-N 3.13Å; N374-V377 PolarHBondContact OD1-N 2.69Å; N374-F378 PolarHBondContact O-N 3.19Å
375	R	94.2	Very high	87.3	Confident	78 Å²	78	54.9 Å²	54.9	29%	0.294	30%	0.3	S	S	.	.	H	α-helix	trans	-54.1	-43.2	179.8	-65.1	-173.2	-175.6	-132.9	-1.2	113.4	D364 F373 F378 V379 L394	D364-R375 HydrophobicContact CB-CG 4.31Å; D364-R375 IonicContact OD2-CZ 3.3Å; D364-R375 IonicContact OD2-NE 3.2Å; D364-R375 PolarHBondContact OD2-NE 2.84Å; D364-R375 IonicContact OD2-NH2 2.72Å; D364-R375 PolarHBondContact OD2-NH2 3.35Å; F373-R375 HydrophobicContact CD1-CG 4.12Å; F373-R375 HydrophobicContact CE1-CG 4.08Å; F373-R375 PolarHBondContact O-N 3.09Å; R375-F378 WeakPolarHBondContact O-CB 3.2Å; R375-F378 PolarHBondContact O-N 3.43Å; R375-V379 WeakPolarHBondContact O-CG2 3.31Å; R375-V379 PolarHBondContact O-N 3.27Å; R375-L394 HydrophobicContact CB-CD1 4.12Å; R375-L394 HydrophobicContact CG-CD1 4.35Å; R375-L394 PolarHBondContact NH1-O 3.49Å
376	A	92.1	Very high	87.2	Confident	64 Å²	64	50.7 Å²	50.7	53%	0.529	28%	0.281	S	S	.	.	H	α-helix	trans	-67.7	-41.4	-176.7	0	0	0	0	0	111.7	N374 F378 V379 T380	N374-A376 VanDerWaalsContact C-N 3.32Å; N374-A376 PolarHBondContact O-N 3.04Å; N374-A376 PolarHBondContact OD1-N 3.07Å; N374-A376 VanDerWaalsContact OD1-N 3.15Å; A376-F378 VanDerWaalsContact C-N 3.32Å; A376-F378 PolarHBondContact O-N 2.85Å; A376-V379 PolarHBondContact O-N 2.91Å; A376-T380 WeakPolarHBondContact O-CB 3.27Å; A376-T380 VanDerWaalsContact O-CG2 3.3Å; A376-T380 WeakPolarHBondContact O-CG2 2.9Å; A376-T380 PolarHBondContact O-N 3.11Å; A376-T380 PolarHBondContact O-OG1 3.3Å
377	V	90.8	Very high	87.4	Confident	42 Å²	42	49.3 Å²	49.3	26%	0.255	27%	0.267	S	S	.	.	H	α-helix	trans	-63.1	-41.1	174.7	174.3	0	0	0	0	110.6	S334 A335 N374 T380 S381	S334-V377 WeakPolarHBondContact O-CG1 3.34Å; A335-V377 HydrophobicContact CB-CB 4.46Å; A335-V377 HydrophobicContact CB-CG1 4.38Å; N374-V377 HydrophobicContact CB-CB 4.03Å; N374-V377 HydrophobicContact CB-CG2 4.04Å; N374-V377 VanDerWaalsContact CG-CG2 3.44Å; N374-V377 PolarHBondContact O-N 3.13Å; N374-V377 PolarHBondContact OD1-N 2.69Å; V377-T380 WeakPolarHBondContact CA-OG1 3.32Å; V377-T380 PolarHBondContact O-OG1 3.31Å; V377-T380 VanDerWaalsContact O-OG1 3.1Å; V377-S381 VanDerWaalsContact O-CB 3.25Å; V377-S381 WeakPolarHBondContact O-CB 3.46Å; V377-S381 PolarHBondContact O-N 3.16Å
378	F	92.4	Very high	88	Confident	1 Å²	1	49.7 Å²	49.7	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-59.1	-54.6	176.4	178.8	-111.5	0	0	0	112.1	L328 L329 A335 F373 N374 R375 A376 T380 S381 C382 L390 L394 F403	L328-F378 WeakPolarHBondContact O-CZ 3.42Å; L329-F378 HydrophobicContact CD2-CZ 4.26Å; A335-F378 HydrophobicContact CB-CB 3.58Å; A335-F378 HydrophobicContact CB-CD2 4.45Å; A335-F378 HydrophobicContact CB-CG 4.48Å; F373-F378 HydrophobicContact CE1-CB 4.26Å; F373-F378 HydrophobicContact CE2-CB 4.19Å; F373-F378 HydrophobicContact CE2-CD2 4.38Å; F373-F378 HydrophobicContact CE2-CG 4.31Å; F373-F378 HydrophobicContact CZ-CB 3.57Å; F373-F378 HydrophobicContact CZ-CD1 4.05Å; F373-F378 HydrophobicContact CZ-CD2 4.1Å; F373-F378 AromaticContact CZ-CG 3.63Å; F373-F378 HydrophobicContact CZ-CG 3.63Å; N374-F378 PolarHBondContact O-N 3.19Å; R375-F378 WeakPolarHBondContact O-CB 3.2Å; R375-F378 PolarHBondContact O-N 3.43Å; A376-F378 VanDerWaalsContact C-N 3.32Å; A376-F378 PolarHBondContact O-N 2.85Å; F378-T380 PolarHBondContact O-N 3.45Å; F378-S381 WeakPolarHBondContact O-CB 3.14Å; F378-S381 PolarHBondContact O-N 3.26Å; F378-S381 VanDerWaalsContact O-N 3.16Å; F378-S381 PolarHBondContact O-OG 3.32Å; F378-C382 PolarHBondContact O-N 3.03Å; F378-L390 HydrophobicContact CE1-CD2 4.17Å; F378-L390 HydrophobicContact CZ-CD2 4.35Å; F378-L394 HydrophobicContact CD1-CD1 4.1Å; F378-L394 HydrophobicContact CD1-CD2 4.18Å; F378-L394 HydrophobicContact CD1-CG 4.35Å; F378-L394 HydrophobicContact CE1-CD2 4.39Å; F378-F403 HydrophobicContact CE1-CE2 4.36Å; F378-F403 HydrophobicContact CE1-CZ 4.16Å; F378-F403 HydrophobicContact CE2-CZ 4.15Å; F378-F403 AromaticContact CZ-CZ 3.87Å; F378-F403 HydrophobicContact CZ-CZ 3.87Å
379	V	91	Very high	88.5	Confident	17 Å²	17	44 Å²	44	10%	0.103	25%	0.249	C	C	.	.	H	α-helix	trans	-60.6	-45.6	-178	173	0	0	0	0	111.2	R375 A376 S381 C382 Q387 L394	R375-V379 WeakPolarHBondContact O-CG2 3.31Å; R375-V379 PolarHBondContact O-N 3.27Å; A376-V379 PolarHBondContact O-N 2.91Å; V379-S381 VanDerWaalsContact C-N 3.29Å; V379-S381 PolarHBondContact O-N 3.26Å; V379-C382 PolarHBondContact O-N 2.9Å; V379-Q387 HydrophobicContact CG1-CB 3.7Å; V379-Q387 HydrophobicContact CG1-CG 3.65Å; V379-L394 HydrophobicContact CG2-CD1 3.55Å
380	T	87.6	Confident	88.9	Confident	91 Å²	91	42 Å²	42	56%	0.558	23%	0.228	S	C	*	.	H	α-helix	trans	-66.4	-31	178.9	53.7	0	0	0	0	112.7	A376 V377 F378 C382	A376-T380 WeakPolarHBondContact O-CB 3.27Å; A376-T380 VanDerWaalsContact O-CG2 3.3Å; A376-T380 WeakPolarHBondContact O-CG2 2.9Å; A376-T380 PolarHBondContact O-N 3.11Å; A376-T380 PolarHBondContact O-OG1 3.3Å; V377-T380 WeakPolarHBondContact CA-OG1 3.32Å; V377-T380 PolarHBondContact O-OG1 3.31Å; V377-T380 VanDerWaalsContact O-OG1 3.1Å; F378-T380 PolarHBondContact O-N 3.45Å; T380-C382 VanDerWaalsContact C-N 3.32Å; T380-C382 PolarHBondContact O-N 3.16Å
381	S	82.2	Confident	89.1	Confident	22 Å²	22	45.1 Å²	45.1	15%	0.154	25%	0.246	C	C	.	.	H	α-helix	trans	-66.7	-29.2	178.4	80.6	0	0	0	0	113.2	R331 V377 F378 V379 G383	R331-S381 WeakPolarHBondContact CD-O 3.4Å; R331-S381 PolarHBondContact NE-O 3.08Å; R331-S381 PolarHBondContact NH1-O 2.68Å; V377-S381 VanDerWaalsContact O-CB 3.25Å; V377-S381 WeakPolarHBondContact O-CB 3.46Å; V377-S381 PolarHBondContact O-N 3.16Å; F378-S381 WeakPolarHBondContact O-CB 3.14Å; F378-S381 PolarHBondContact O-N 3.26Å; F378-S381 VanDerWaalsContact O-N 3.16Å; F378-S381 PolarHBondContact O-OG 3.32Å; V379-S381 VanDerWaalsContact C-N 3.29Å; V379-S381 PolarHBondContact O-N 3.26Å; S381-G383 PolarHBondContact O-N 2.97Å
382	C	77.7	Confident	89	Confident	7 Å²	7	45 Å²	45	5%	0.047	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	2.1	-170.9	-67.2	0	0	0	0	115.3	F378 V379 T380 L386 L390	F378-C382 PolarHBondContact O-N 3.03Å; V379-C382 PolarHBondContact O-N 2.9Å; T380-C382 VanDerWaalsContact C-N 3.32Å; T380-C382 PolarHBondContact O-N 3.16Å; C382-L386 HydrophobicContact CB-CB 4.49Å; C382-L386 HydrophobicContact CB-CD1 4.36Å; C382-L390 HydrophobicContact CB-CD1 3.12Å
383	G	77.4	Confident	89	Confident	20 Å²	20	44.1 Å²	44.1	21%	0.206	25%	0.246	C	C	.	.			trans	87.1	149.2	179.2	0	0	0	0	0	113.7	S381 E385 L386 Q387	S381-G383 PolarHBondContact O-N 2.97Å; G383-E385 VanDerWaalsContact C-N 3.34Å; G383-E385 PolarHBondContact O-N 3.16Å; G383-L386 PolarHBondContact O-N 3.06Å; G383-L386 VanDerWaalsContact O-N 3.14Å; G383-Q387 WeakPolarHBondContact O-CG 3.23Å
384	H	82	Confident	88.9	Confident	153 Å²	153	44.5 Å²	44.5	71%	0.708	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-57.7	-38.8	-167.9	-171.6	-92.3	0	0	0	114.2	L386 Q387	H384-L386 VanDerWaalsContact C-N 3.26Å; H384-L386 PolarHBondContact O-N 3.05Å; H384-Q387 PolarHBondContact O-N 3.47Å
385	E	82.4	Confident	88.8	Confident	98 Å²	98	47.2 Å²	47.2	46%	0.458	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-63.1	-28.9	-179.4	-67.2	177.3	-153.1	0	0	113.9	G383 L438	G383-E385 VanDerWaalsContact C-N 3.34Å; G383-E385 PolarHBondContact O-N 3.16Å; E385-L438 HydrophobicContact CB-CB 4.44Å; E385-L438 HydrophobicContact CB-CD2 4.18Å; E385-L438 WeakPolarHBondContact OE2-CD2 3.21Å
386	L	86.3	Confident	88.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-90.1	-14.7	179.9	-66.1	-172.8	0	0	0	113	P281 L284 C382 G383 H384 Y389 L390 L438	P281-L386 HydrophobicContact CG-CD2 4.03Å; L284-L386 HydrophobicContact CD1-CD2 3.56Å; L284-L386 HydrophobicContact CG-CD2 4Å; C382-L386 HydrophobicContact CB-CB 4.49Å; C382-L386 HydrophobicContact CB-CD1 4.36Å; G383-L386 PolarHBondContact O-N 3.06Å; G383-L386 VanDerWaalsContact O-N 3.14Å; H384-L386 VanDerWaalsContact C-N 3.26Å; H384-L386 PolarHBondContact O-N 3.05Å; L386-Y389 PolarHBondContact O-N 3.47Å; L386-Y389 VanDerWaalsContact O-N 3.15Å; L386-L390 HydrophobicContact CB-CD1 3.73Å; L386-L390 HydrophobicContact CB-CG 4.12Å; L386-L390 HydrophobicContact CD1-CD1 4.49Å; L386-L390 WeakPolarHBondContact O-CG 3.38Å; L386-L390 PolarHBondContact O-N 2.84Å; L386-L438 HydrophobicContact CD1-CD1 3.78Å; L386-L438 HydrophobicContact CD2-CD1 3.97Å; L386-L438 HydrophobicContact CD2-CD2 3.79Å; L386-L438 HydrophobicContact CG-CD1 3.91Å; L386-L438 HydrophobicContact CG-CD2 4.22Å
387	Q	90.4	Very high	88.8	Confident	53 Å²	53	44.5 Å²	44.5	25%	0.248	24%	0.242	C	C	.	.	H	α-helix	trans	-57	-48.7	-170	-66.2	-177.1	-5.5	0	0	113.6	V379 G383 H384 Y389 L390 T391	V379-Q387 HydrophobicContact CG1-CB 3.7Å; V379-Q387 HydrophobicContact CG1-CG 3.65Å; G383-Q387 WeakPolarHBondContact O-CG 3.23Å; H384-Q387 PolarHBondContact O-N 3.47Å; Q387-Y389 VanDerWaalsContact C-N 3.28Å; Q387-Y389 PolarHBondContact O-N 2.82Å; Q387-L390 PolarHBondContact O-N 3.03Å; Q387-T391 WeakPolarHBondContact O-CB 3.11Å; Q387-T391 PolarHBondContact O-N 3.03Å; Q387-T391 PolarHBondContact O-OG1 3.3Å; Q387-T391 VanDerWaalsContact O-OG1 3.07Å
388	P	90.5	Very high	89	Confident	80 Å²	80	42.6 Å²	42.6	52%	0.519	23%	0.231	S	C	.	.	H	α-helix	trans	-60	-40.7	179.5	-22.1	33.9	0	0	0	112.3	E392	P388-E392 PolarHBondContact O-N 2.85Å
389	Y	92.8	Very high	89.1	Confident	3 Å²	3	42.6 Å²	42.6	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-69.2	-41.9	179.8	-172.5	-111.8	0	0	0	112.1	I187 L188 I278 M280 P281 L328 L386 Q387 E392 L393	I187-Y389 VanDerWaalsContact CG2-OH 3.31Å; I187-Y389 WeakPolarHBondContact CG2-OH 3.48Å; L188-Y389 HydrophobicContact CD2-CE2 4.09Å; I278-Y389 HydrophobicContact CG2-CD2 3.91Å; M280-Y389 HydrophobicContact CB-CE2 4.2Å; P281-Y389 HydrophobicContact CG-CG 4.49Å; L328-Y389 HydrophobicContact CD1-CE1 4.22Å; L328-Y389 HydrophobicContact CD2-CD1 3.96Å; L328-Y389 HydrophobicContact CD2-CE1 3.79Å; L386-Y389 PolarHBondContact O-N 3.47Å; L386-Y389 VanDerWaalsContact O-N 3.15Å; Q387-Y389 VanDerWaalsContact C-N 3.28Å; Q387-Y389 PolarHBondContact O-N 2.82Å; Y389-E392 PolarHBondContact O-N 2.78Å; Y389-L393 HydrophobicContact CD1-CD1 3.78Å; Y389-L393 HydrophobicContact CD1-CG 4.35Å; Y389-L393 HydrophobicContact CE1-CD1 3.41Å; Y389-L393 VanDerWaalsContact CE1-CD1 3.41Å; Y389-L393 HydrophobicContact CE1-CG 4.08Å; Y389-L393 WeakPolarHBondContact O-CG 3.43Å; Y389-L393 PolarHBondContact O-N 2.79Å
390	L	92.1	Very high	89.3	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-71.1	-36.1	178.6	-68.8	172.6	0	0	0	112.5	L328 F378 C382 L386 Q387 E392 L393 L394	L328-L390 HydrophobicContact CD2-CD2 4.34Å; L328-L390 WeakPolarHBondContact O-CD2 3.46Å; F378-L390 HydrophobicContact CE1-CD2 4.17Å; F378-L390 HydrophobicContact CZ-CD2 4.35Å; C382-L390 HydrophobicContact CB-CD1 3.12Å; L386-L390 HydrophobicContact CB-CD1 3.73Å; L386-L390 HydrophobicContact CB-CG 4.12Å; L386-L390 HydrophobicContact CD1-CD1 4.49Å; L386-L390 WeakPolarHBondContact O-CG 3.38Å; L386-L390 PolarHBondContact O-N 2.84Å; Q387-L390 PolarHBondContact O-N 3.03Å; L390-E392 VanDerWaalsContact C-N 3.27Å; L390-E392 PolarHBondContact O-N 3.27Å; L390-L393 HydrophobicContact CD2-CD1 4.27Å; L390-L393 PolarHBondContact O-N 3.12Å; L390-L394 WeakPolarHBondContact O-CG 3.4Å; L390-L394 PolarHBondContact O-N 3.42Å
391	T	92.7	Very high	89.5	Confident	72 Å²	72	42 Å²	42	44%	0.442	22%	0.221	S	C	.	.	H	α-helix	trans	-60.4	-41.3	172.7	-66.3	0	0	0	0	110.7	Q387 L394	Q387-T391 WeakPolarHBondContact O-CB 3.11Å; Q387-T391 PolarHBondContact O-N 3.03Å; Q387-T391 PolarHBondContact O-OG1 3.3Å; Q387-T391 VanDerWaalsContact O-OG1 3.07Å; T391-L394 PolarHBondContact O-N 3.15Å
392	E	92.2	Very high	90.1	Very high	81 Å²	81	41.6 Å²	41.6	38%	0.379	22%	0.217	S	C	.	.	H	α-helix	trans	-66.4	-45.1	174.3	-171	59.3	-161.2	0	0	112.1	L188 I278 P388 Y389 L390 L394 N395	L188-E392 HydrophobicContact CD2-CG 4.21Å; I278-E392 HydrophobicContact CB-CB 4.46Å; I278-E392 HydrophobicContact CB-CG 4.29Å; I278-E392 HydrophobicContact CD1-CB 3.75Å; I278-E392 HydrophobicContact CD1-CG 3.98Å; I278-E392 HydrophobicContact CG2-CB 4.45Å; P388-E392 PolarHBondContact O-N 2.85Å; Y389-E392 PolarHBondContact O-N 2.78Å; L390-E392 VanDerWaalsContact C-N 3.27Å; L390-E392 PolarHBondContact O-N 3.27Å; E392-L394 PolarHBondContact O-N 3.49Å; E392-N395 WeakPolarHBondContact O-CB 3.37Å; E392-N395 PolarHBondContact O-N 3.4Å
393	L	93.4	Very high	91	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-60.4	-29.4	176.3	-75.2	-179.9	0	0	0	112.9	I187 L188 L328 Y389 L390 N395 S396 V399	I187-L393 HydrophobicContact CD1-CD1 4.37Å; I187-L393 HydrophobicContact CD1-CD2 4.22Å; I187-L393 HydrophobicContact CG1-CD2 3.88Å; I187-L393 HydrophobicContact CG2-CD2 4.37Å; I187-L393 WeakPolarHBondContact O-CD2 3.21Å; L188-L393 HydrophobicContact CD2-CD2 4.12Å; L328-L393 HydrophobicContact CD1-CD1 4.41Å; Y389-L393 HydrophobicContact CD1-CD1 3.78Å; Y389-L393 HydrophobicContact CD1-CG 4.35Å; Y389-L393 HydrophobicContact CE1-CD1 3.41Å; Y389-L393 VanDerWaalsContact CE1-CD1 3.41Å; Y389-L393 HydrophobicContact CE1-CG 4.08Å; Y389-L393 WeakPolarHBondContact O-CG 3.43Å; Y389-L393 PolarHBondContact O-N 2.79Å; L390-L393 HydrophobicContact CD2-CD1 4.27Å; L390-L393 PolarHBondContact O-N 3.12Å; L393-N395 PolarHBondContact O-N 2.95Å; L393-S396 WeakPolarHBondContact O-CB 3.46Å; L393-S396 PolarHBondContact O-N 3.34Å; L393-S396 VanDerWaalsContact O-N 3.07Å; L393-V399 HydrophobicContact CB-CG2 4.41Å; L393-V399 VanDerWaalsContact O-CB 3.23Å; L393-V399 WeakPolarHBondContact O-CB 3.3Å; L393-V399 WeakPolarHBondContact O-CG2 3.35Å
394	L	93.1	Very high	91.7	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.042	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-6.8	174.8	-76.2	175.4	0	0	0	114.2	F373 R375 F378 V379 L390 T391 E392 V399 F403	F373-L394 HydrophobicContact CE1-CD2 3.93Å; F373-L394 HydrophobicContact CZ-CD2 4.35Å; R375-L394 HydrophobicContact CB-CD1 4.12Å; R375-L394 HydrophobicContact CG-CD1 4.35Å; R375-L394 PolarHBondContact NH1-O 3.49Å; F378-L394 HydrophobicContact CD1-CD1 4.1Å; F378-L394 HydrophobicContact CD1-CD2 4.18Å; F378-L394 HydrophobicContact CD1-CG 4.35Å; F378-L394 HydrophobicContact CE1-CD2 4.39Å; V379-L394 HydrophobicContact CG2-CD1 3.55Å; L390-L394 WeakPolarHBondContact O-CG 3.4Å; L390-L394 PolarHBondContact O-N 3.42Å; T391-L394 PolarHBondContact O-N 3.15Å; E392-L394 PolarHBondContact O-N 3.49Å; L394-V399 HydrophobicContact CD2-CG1 4.25Å; L394-F403 HydrophobicContact CD2-CD2 3.99Å; L394-F403 HydrophobicContact CD2-CE2 3.58Å
395	N	91.8	Very high	92.2	Very high	99 Å²	99	39.2 Å²	39.2	53%	0.529	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-14.6	169.8	-60.2	-34.5	0	0	0	112.3	E392 L393	E392-N395 WeakPolarHBondContact O-CB 3.37Å; E392-N395 PolarHBondContact O-N 3.4Å; L393-N395 PolarHBondContact O-N 2.95Å
396	S	92.6	Very high	92.7	Very high	6 Å²	6	35.6 Å²	35.6	4%	0.042	19%	0.187	C	C	.	.	S	Bend	trans	-69.2	134	177.1	151.5	0	0	0	0	111.2	E189 L393 M398 V399 I400	E189-S396 PolarHBondContact OE1-OG 3.33Å; E189-S396 WeakPolarHBondContact OE2-CA 3.49Å; L393-S396 WeakPolarHBondContact O-CB 3.46Å; L393-S396 PolarHBondContact O-N 3.34Å; L393-S396 VanDerWaalsContact O-N 3.07Å; S396-M398 VanDerWaalsContact C-N 3.31Å; S396-M398 PolarHBondContact O-N 3.45Å; S396-M398 WeakPolarHBondContact OG-CB 3.26Å; S396-M398 PolarHBondContact OG-N 2.99Å; S396-V399 PolarHBondContact O-N 3.35Å; S396-V399 PolarHBondContact OG-N 2.66Å; S396-I400 VanDerWaalsContact O-CG1 3.3Å; S396-I400 WeakPolarHBondContact O-CG1 3.42Å; S396-I400 PolarHBondContact O-N 3.39Å
397	Q	94.3	Very high	93.1	Very high	79 Å²	79	35.8 Å²	35.8	37%	0.369	19%	0.188	S	C	.	.	H	α-helix	trans	-59.8	-39.6	175.1	-175	61.6	25.9	0	0	112.2	E189 P219 I400 Q401	E189-Q397 VanDerWaalsContact CD-N 3.29Å; E189-Q397 WeakPolarHBondContact OE1-CA 3.05Å; E189-Q397 WeakPolarHBondContact OE1-CB 3.3Å; E189-Q397 PolarHBondContact OE1-N 3.16Å; E189-Q397 PolarHBondContact OE2-N 2.94Å; P219-Q397 HydrophobicContact CB-CG 4.21Å; P219-Q397 HydrophobicContact CG-CB 4.08Å; P219-Q397 HydrophobicContact CG-CG 3.86Å; Q397-I400 PolarHBondContact O-N 3.05Å; Q397-Q401 HydrophobicContact CG-CG 4.45Å; Q397-Q401 VanDerWaalsContact NE2-NE2 3.17Å; Q397-Q401 WeakPolarHBondContact O-CB 3.2Å; Q397-Q401 VanDerWaalsContact O-CG 3.27Å; Q397-Q401 WeakPolarHBondContact O-CG 3.35Å; Q397-Q401 PolarHBondContact O-N 2.67Å
398	M	94.4	Very high	93.1	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-56.7	-48.3	174.6	-76.1	-169	-70	0	0	112.4	L186 E189 L213 L216 I217 W218 P219 S396 F402	L186-M398 WeakPolarHBondContact O-CE 3.31Å; E189-M398 HydrophobicContact CG-CE 3.64Å; E189-M398 WeakPolarHBondContact OE1-CG 3.43Å; E189-M398 PolarHBondContact OE1-N 3.49Å; L213-M398 HydrophobicContact CD1-SD 4.03Å; L216-M398 HydrophobicContact CB-CB 4.22Å; L216-M398 HydrophobicContact CB-SD 4.25Å; L216-M398 HydrophobicContact CD1-CB 4.24Å; I217-M398 WeakPolarHBondContact O-CG 3.48Å; W218-M398 HydrophobicContact CB-SD 4.47Å; W218-M398 HydrophobicContact CE3-CE 3.9Å; W218-M398 HydrophobicContact CE3-SD 3.73Å; W218-M398 HydrophobicContact CZ3-CE 4.01Å; W218-M398 HydrophobicContact CZ3-SD 4.43Å; P219-M398 HydrophobicContact CG-CG 4.13Å; S396-M398 VanDerWaalsContact C-N 3.31Å; S396-M398 PolarHBondContact O-N 3.45Å; S396-M398 WeakPolarHBondContact OG-CB 3.26Å; S396-M398 PolarHBondContact OG-N 2.99Å; M398-F402 WeakPolarHBondContact O-CB 3.23Å; M398-F402 PolarHBondContact O-N 2.87Å
399	V	94.8	Very high	93.1	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-70.7	-41.2	-177	175.3	0	0	0	0	110.3	L216 L329 L393 L394 S396 F402 F403	L216-V399 HydrophobicContact CD1-CG2 4.07Å; L216-V399 HydrophobicContact CD2-CG2 4.47Å; L329-V399 HydrophobicContact CD2-CG1 4.34Å; L393-V399 HydrophobicContact CB-CG2 4.41Å; L393-V399 VanDerWaalsContact O-CB 3.23Å; L393-V399 WeakPolarHBondContact O-CB 3.3Å; L393-V399 WeakPolarHBondContact O-CG2 3.35Å; L394-V399 HydrophobicContact CD2-CG1 4.25Å; S396-V399 PolarHBondContact O-N 3.35Å; S396-V399 PolarHBondContact OG-N 2.66Å; V399-F402 PolarHBondContact O-N 2.71Å; V399-F403 HydrophobicContact CG1-CD2 3.82Å; V399-F403 HydrophobicContact CG1-CE2 3.35Å; V399-F403 HydrophobicContact CG1-CZ 4.11Å; V399-F403 WeakPolarHBondContact O-CD2 3.37Å; V399-F403 PolarHBondContact O-N 2.98Å
400	I	94.4	Very high	93.1	Very high	31 Å²	31	35 Å²	35	16%	0.159	19%	0.191	C	C	.	.	H	α-helix	trans	-58.5	-52.1	173.6	-71.4	167	0	0	0	110.4	F363 S396 Q397 F402 F403 E404	F363-I400 HydrophobicContact CD1-CG2 4.42Å; F363-I400 HydrophobicContact CE1-CG2 3.72Å; F363-I400 HydrophobicContact CZ-CG2 4.27Å; S396-I400 VanDerWaalsContact O-CG1 3.3Å; S396-I400 WeakPolarHBondContact O-CG1 3.42Å; S396-I400 PolarHBondContact O-N 3.39Å; Q397-I400 PolarHBondContact O-N 3.05Å; I400-F402 VanDerWaalsContact C-N 3.27Å; I400-F402 PolarHBondContact O-N 3.18Å; I400-F403 PolarHBondContact O-N 3.05Å; I400-E404 VanDerWaalsContact O-CB 3.27Å; I400-E404 WeakPolarHBondContact O-CB 3.35Å; I400-E404 PolarHBondContact O-N 3.06Å
401	Q	93.3	Very high	93	Very high	64 Å²	64	38.1 Å²	38.1	30%	0.299	21%	0.207	S	C	.	.	H	α-helix	trans	-60.2	-37.5	178.9	-77.4	-179.8	-9.7	0	0	112.3	Q397 S405	Q397-Q401 HydrophobicContact CG-CG 4.45Å; Q397-Q401 VanDerWaalsContact NE2-NE2 3.17Å; Q397-Q401 WeakPolarHBondContact O-CB 3.2Å; Q397-Q401 VanDerWaalsContact O-CG 3.27Å; Q397-Q401 WeakPolarHBondContact O-CG 3.35Å; Q397-Q401 PolarHBondContact O-N 2.67Å; Q401-S405 VanDerWaalsContact O-CB 3.26Å; Q401-S405 WeakPolarHBondContact O-CB 3.44Å; Q401-S405 PolarHBondContact O-N 2.81Å; Q401-S405 PolarHBondContact O-OG 3.2Å
402	F	94.7	Very high	92.8	Very high	15 Å²	15	37 Å²	37	7%	0.066	20%	0.202	C	C	.	.	H	α-helix	trans	-60.8	-53.8	175.1	173.7	-102.6	0	0	0	111.2	P215 L216 Y332 M398 V399 I400 S405 R406 F422	P215-F402 HydrophobicContact CB-CD2 4.28Å; P215-F402 HydrophobicContact CB-CE2 3.89Å; P215-F402 HydrophobicContact CG-CD2 4.12Å; P215-F402 HydrophobicContact CG-CE2 3.69Å; P215-F402 HydrophobicContact CG-CZ 4.16Å; L216-F402 HydrophobicContact CD2-CB 3.58Å; L216-F402 HydrophobicContact CD2-CD1 4.44Å; L216-F402 HydrophobicContact CD2-CD2 4.4Å; L216-F402 HydrophobicContact CD2-CG 3.89Å; Y332-F402 HydrophobicContact CD1-CE1 4.4Å; Y332-F402 HydrophobicContact CE1-CE1 4.47Å; Y332-F402 HydrophobicContact CE1-CZ 4.35Å; M398-F402 WeakPolarHBondContact O-CB 3.23Å; M398-F402 PolarHBondContact O-N 2.87Å; V399-F402 PolarHBondContact O-N 2.71Å; I400-F402 VanDerWaalsContact C-N 3.27Å; I400-F402 PolarHBondContact O-N 3.18Å; F402-S405 PolarHBondContact O-N 3.31Å; F402-S405 PolarHBondContact O-OG 3.28Å; F402-R406 HydrophobicContact CE1-CG 4.44Å; F402-R406 HydrophobicContact CE2-CG 4.32Å; F402-R406 HydrophobicContact CZ-CG 4.14Å; F402-R406 WeakPolarHBondContact O-CG 3.3Å; F402-R406 PolarHBondContact O-N 3.33Å; F402-R406 VanDerWaalsContact O-N 3.17Å; F402-F422 HydrophobicContact CE1-CE1 4.15Å; F402-F422 HydrophobicContact CE2-CD1 4.3Å; F402-F422 HydrophobicContact CE2-CE1 4.32Å; F402-F422 AromaticContact CZ-CD1 3.84Å; F402-F422 HydrophobicContact CZ-CD1 3.84Å; F402-F422 AromaticContact CZ-CE1 3.5Å; F402-F422 HydrophobicContact CZ-CE1 3.5Å; F402-F422 HydrophobicContact CZ-CZ 4.47Å
403	F	95.2	Very high	92.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.8	-40.7	-179.6	-65.1	-41	0	0	0	113.1	L329 Y332 F363 F373 F378 L394 V399 I400 S405 R406 V407	L329-F403 HydrophobicContact CD2-CZ 4.03Å; Y332-F403 HydrophobicContact CD2-CD1 4.08Å; Y332-F403 HydrophobicContact CD2-CE1 4.2Å; Y332-F403 HydrophobicContact CG-CD1 4.17Å; Y332-F403 AromaticContact CG-CE1 3.81Å; Y332-F403 HydrophobicContact CG-CE1 3.81Å; F363-F403 HydrophobicContact CD2-CB 4.08Å; F363-F403 HydrophobicContact CE2-CB 3.61Å; F363-F403 HydrophobicContact CZ-CB 4.46Å; F373-F403 HydrophobicContact CD1-CD2 4.37Å; F373-F403 HydrophobicContact CD2-CB 4.39Å; F373-F403 HydrophobicContact CD2-CD1 4.4Å; F373-F403 HydrophobicContact CD2-CG 4.25Å; F373-F403 AromaticContact CE1-CD2 3.77Å; F373-F403 HydrophobicContact CE1-CD2 3.77Å; F373-F403 HydrophobicContact CE1-CE2 4.06Å; F373-F403 HydrophobicContact CE1-CG 4.26Å; F373-F403 AromaticContact CE2-CD1 3.94Å; F373-F403 HydrophobicContact CE2-CD1 3.94Å; F373-F403 HydrophobicContact CE2-CD2 4.13Å; F373-F403 HydrophobicContact CE2-CE1 4.14Å; F373-F403 HydrophobicContact CE2-CE2 4.27Å; F373-F403 AromaticContact CE2-CG 3.96Å; F373-F403 HydrophobicContact CE2-CG 3.96Å; F373-F403 HydrophobicContact CE2-CZ 4.27Å; F373-F403 HydrophobicContact CG-CB 4.35Å; F373-F403 HydrophobicContact CZ-CD1 4.23Å; F373-F403 AromaticContact CZ-CD2 3.62Å; F373-F403 HydrophobicContact CZ-CD2 3.62Å; F373-F403 HydrophobicContact CZ-CE1 4.25Å; F373-F403 AromaticContact CZ-CE2 3.6Å; F373-F403 HydrophobicContact CZ-CE2 3.6Å; F373-F403 AromaticContact CZ-CG 3.94Å; F373-F403 HydrophobicContact CZ-CG 3.94Å; F373-F403 AromaticContact CZ-CZ 3.93Å; F373-F403 HydrophobicContact CZ-CZ 3.93Å; F378-F403 HydrophobicContact CE1-CE2 4.36Å; F378-F403 HydrophobicContact CE1-CZ 4.16Å; F378-F403 HydrophobicContact CE2-CZ 4.15Å; F378-F403 AromaticContact CZ-CZ 3.87Å; F378-F403 HydrophobicContact CZ-CZ 3.87Å; L394-F403 HydrophobicContact CD2-CD2 3.99Å; L394-F403 HydrophobicContact CD2-CE2 3.58Å; V399-F403 HydrophobicContact CG1-CD2 3.82Å; V399-F403 HydrophobicContact CG1-CE2 3.35Å; V399-F403 HydrophobicContact CG1-CZ 4.11Å; V399-F403 WeakPolarHBondContact O-CD2 3.37Å; V399-F403 PolarHBondContact O-N 2.98Å; I400-F403 PolarHBondContact O-N 3.05Å; F403-S405 VanDerWaalsContact C-N 3.28Å; F403-S405 PolarHBondContact O-N 3.29Å; F403-R406 PolarHBondContact O-N 2.75Å; F403-R406 VanDerWaalsContact O-N 3.16Å; F403-V407 WeakPolarHBondContact O-CG2 3.39Å; F403-V407 PolarHBondContact O-N 3.47Å
404	E	93.6	Very high	92	Very high	82 Å²	82	46.1 Å²	46.1	38%	0.383	25%	0.252	S	S	.	.	H	α-helix	trans	-57.1	-43.5	173.7	-179.5	172	-153.8	0	0	111	F363 I400 R406 V407 A408	F363-E404 HydrophobicContact CB-CB 4.02Å; F363-E404 HydrophobicContact CB-CG 4.05Å; F363-E404 HydrophobicContact CD1-CB 4.17Å; F363-E404 HydrophobicContact CD2-CB 4.48Å; F363-E404 HydrophobicContact CG-CB 3.96Å; F363-E404 HydrophobicContact CG-CG 4.46Å; I400-E404 VanDerWaalsContact O-CB 3.27Å; I400-E404 WeakPolarHBondContact O-CB 3.35Å; I400-E404 PolarHBondContact O-N 3.06Å; E404-R406 VanDerWaalsContact C-N 3.33Å; E404-R406 PolarHBondContact O-N 2.79Å; E404-V407 PolarHBondContact O-N 3.11Å; E404-A408 VanDerWaalsContact O-CB 3.25Å; E404-A408 WeakPolarHBondContact O-CB 3.13Å; E404-A408 PolarHBondContact O-N 2.84Å
405	S	91.9	Very high	91.5	Very high	48 Å²	48	48.8 Å²	48.8	34%	0.336	28%	0.275	S	S	.	.	H	α-helix	trans	-62.6	-38.9	177.5	77.3	0	0	0	0	112.6	Q401 F402 F403 V409	Q401-S405 VanDerWaalsContact O-CB 3.26Å; Q401-S405 WeakPolarHBondContact O-CB 3.44Å; Q401-S405 PolarHBondContact O-N 2.81Å; Q401-S405 PolarHBondContact O-OG 3.2Å; F402-S405 PolarHBondContact O-N 3.31Å; F402-S405 PolarHBondContact O-OG 3.28Å; F403-S405 VanDerWaalsContact C-N 3.28Å; F403-S405 PolarHBondContact O-N 3.29Å; S405-V409 WeakPolarHBondContact O-CG2 3.02Å; S405-V409 PolarHBondContact O-N 2.87Å; S405-V409 VanDerWaalsContact O-N 3.15Å
406	R	92.8	Very high	91.3	Very high	22 Å²	22	49.3 Å²	49.3	8%	0.083	27%	0.273	C	S	.	.	H	α-helix	trans	-68.8	-43	177.5	-64	-58.3	-158.9	-165.8	5.4	111.9	Y332 F402 F403 E404 V409 L410 I417 D420 E423	Y332-R406 HydrophobicContact CE2-CB 3.88Å; Y332-R406 HydrophobicContact CE2-CG 3.74Å; Y332-R406 PolarHBondContact OH-NE 3.04Å; F402-R406 HydrophobicContact CE1-CG 4.44Å; F402-R406 HydrophobicContact CE2-CG 4.32Å; F402-R406 HydrophobicContact CZ-CG 4.14Å; F402-R406 WeakPolarHBondContact O-CG 3.3Å; F402-R406 PolarHBondContact O-N 3.33Å; F402-R406 VanDerWaalsContact O-N 3.17Å; F403-R406 PolarHBondContact O-N 2.75Å; F403-R406 VanDerWaalsContact O-N 3.16Å; E404-R406 VanDerWaalsContact C-N 3.33Å; E404-R406 PolarHBondContact O-N 2.79Å; R406-V409 PolarHBondContact O-N 2.89Å; R406-L410 PolarHBondContact O-N 2.95Å; R406-I417 HydrophobicContact CB-CD1 4.26Å; R406-D420 IonicContact CZ-OD2 2.82Å; R406-D420 IonicContact NH1-OD2 2.78Å; R406-D420 PolarHBondContact NH1-OD2 2.89Å; R406-D420 IonicContact NH2-OD1 3.53Å; R406-D420 PolarHBondContact NH2-OD1 3.49Å; R406-D420 IonicContact NH2-OD2 3.86Å; R406-D420 PolarHBondContact NH2-OD2 3.04Å; R406-E423 IonicContact CZ-OE1 3.46Å; R406-E423 IonicContact NE-OE1 2.64Å; R406-E423 IonicContact NH2-OE1 3.45Å; R406-E423 PolarHBondContact NH2-OE1 2.91Å
407	V	93.8	Very high	91.1	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.018	28%	0.279	C	S	.	.	H	α-helix	trans	-63.8	-42.8	175.5	172	0	0	0	0	110.9	L336 F363 W371 F373 F403 E404 V409 L410 N411	L336-V407 HydrophobicContact CD2-CG2 3.66Å; F363-V407 HydrophobicContact CB-CB 4.43Å; F363-V407 HydrophobicContact CB-CG1 4.42Å; F363-V407 HydrophobicContact CD2-CG2 4.4Å; W371-V407 WeakPolarHBondContact O-CG1 3.46Å; F373-V407 HydrophobicContact CB-CG2 3.92Å; F403-V407 WeakPolarHBondContact O-CG2 3.39Å; F403-V407 PolarHBondContact O-N 3.47Å; E404-V407 PolarHBondContact O-N 3.11Å; V407-V409 VanDerWaalsContact C-N 3.32Å; V407-V409 PolarHBondContact O-N 2.99Å; V407-L410 PolarHBondContact O-N 3.13Å; V407-N411 WeakPolarHBondContact CG1-ND2 3.47Å; V407-N411 PolarHBondContact O-N 3.12Å; V407-N411 PolarHBondContact O-ND2 3.26Å
408	A	91.7	Very high	90.6	Very high	56 Å²	56	48.7 Å²	48.7	46%	0.463	27%	0.273	S	S	.	.	H	α-helix	trans	-60.5	-41.2	178.8	0	0	0	0	0	112	E404 N411 S412	E404-A408 VanDerWaalsContact O-CB 3.25Å; E404-A408 WeakPolarHBondContact O-CB 3.13Å; E404-A408 PolarHBondContact O-N 2.84Å; A408-N411 CarbonylContact O-C 3.5Å; A408-N411 PolarHBondContact O-N 3.18Å; A408-S412 WeakPolarHBondContact O-CB 3.41Å; A408-S412 PolarHBondContact O-N 2.81Å
409	V	90.7	Very high	90.2	Very high	45 Å²	45	52.3 Å²	52.3	27%	0.273	30%	0.297	S	S	.	.	H	α-helix	trans	-68.6	-37.3	177.7	178.1	0	0	0	0	111.9	S405 R406 V407 N411 S412 M414 F416 P418	S405-V409 WeakPolarHBondContact O-CG2 3.02Å; S405-V409 PolarHBondContact O-N 2.87Å; S405-V409 VanDerWaalsContact O-N 3.15Å; R406-V409 PolarHBondContact O-N 2.89Å; V407-V409 VanDerWaalsContact C-N 3.32Å; V407-V409 PolarHBondContact O-N 2.99Å; V409-N411 VanDerWaalsContact C-N 3.29Å; V409-N411 PolarHBondContact O-N 3.21Å; V409-S412 WeakPolarHBondContact O-CB 3.36Å; V409-S412 PolarHBondContact O-N 2.98Å; V409-S412 VanDerWaalsContact O-N 3.16Å; V409-S412 PolarHBondContact O-OG 2.05Å; V409-M414 HydrophobicContact CG1-CB 4.06Å; V409-F416 VanDerWaalsContact CG1-O 3.3Å; V409-F416 WeakPolarHBondContact CG1-O 3.19Å; V409-P418 HydrophobicContact CG1-CG 4.25Å
410	L	90.8	Very high	89.9	Confident	20 Å²	20	53.2 Å²	53.2	11%	0.105	30%	0.302	C	S	.	.	H	α-helix	trans	-65.2	-32.2	173.9	-75.5	177.6	0	0	0	113.4	L336 W371 R406 V407 S412 I417	L336-L410 HydrophobicContact CD1-CD1 3.77Å; W371-L410 HydrophobicContact CB-CB 4.1Å; W371-L410 HydrophobicContact CB-CD1 4.36Å; W371-L410 HydrophobicContact CD2-CB 4.49Å; W371-L410 HydrophobicContact CD2-CD1 4.01Å; W371-L410 HydrophobicContact CE3-CD1 4.15Å; W371-L410 HydrophobicContact CG-CB 3.88Å; W371-L410 HydrophobicContact CG-CD1 4.11Å; R406-L410 PolarHBondContact O-N 2.95Å; V407-L410 PolarHBondContact O-N 3.13Å; L410-S412 VanDerWaalsContact C-N 3.32Å; L410-I417 HydrophobicContact CD1-CD1 4.24Å; L410-I417 HydrophobicContact CD1-CG1 4.33Å; L410-I417 HydrophobicContact CD2-CG1 3.97Å; L410-I417 HydrophobicContact CG-CD1 4.39Å; L410-I417 HydrophobicContact CG-CG1 3.94Å
411	N	91.1	Very high	89.5	Confident	65 Å²	65	53 Å²	53	35%	0.348	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	0.7	175.5	-69.9	-38.5	0	0	0	113.4	W371 V407 A408 V409	W371-N411 WeakPolarHBondContact CB-OD1 3.34Å; W371-N411 PolarHBondContact N-OD1 2.67Å; W371-N411 PolarHBondContact O-ND2 3.37Å; V407-N411 WeakPolarHBondContact CG1-ND2 3.47Å; V407-N411 PolarHBondContact O-N 3.12Å; V407-N411 PolarHBondContact O-ND2 3.26Å; A408-N411 CarbonylContact O-C 3.5Å; A408-N411 PolarHBondContact O-N 3.18Å; V409-N411 VanDerWaalsContact C-N 3.29Å; V409-N411 PolarHBondContact O-N 3.21Å
412	S	89.3	Confident	89.4	Confident	48 Å²	48	50 Å²	50	34%	0.336	29%	0.287	S	S	.	.	S	Bend	trans	-91.3	172.6	173.4	78.7	0	0	0	0	111	A408 V409 L410 M414 A415	A408-S412 WeakPolarHBondContact O-CB 3.41Å; A408-S412 PolarHBondContact O-N 2.81Å; V409-S412 WeakPolarHBondContact O-CB 3.36Å; V409-S412 PolarHBondContact O-N 2.98Å; V409-S412 VanDerWaalsContact O-N 3.16Å; V409-S412 PolarHBondContact O-OG 2.05Å; L410-S412 VanDerWaalsContact C-N 3.32Å; S412-M414 PolarHBondContact O-N 3.32Å; S412-M414 PolarHBondContact OG-N 3.06Å; S412-A415 PolarHBondContact O-N 2.91Å
413	D	85.6	Confident	89.2	Confident	176 Å²	176	49.8 Å²	49.8	94%	0.941	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-20.5	175.6	-59.5	-30.4	0	0	0	113.8
414	M	81.4	Confident	88.8	Confident	99 Å²	99	52.2 Å²	52.2	49%	0.488	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-39.1	174.5	-65.5	-64.8	-69.8	0	0	111.6	V409 S412 F416	V409-M414 HydrophobicContact CG1-CB 4.06Å; S412-M414 PolarHBondContact O-N 3.32Å; S412-M414 PolarHBondContact OG-N 3.06Å; M414-F416 HydrophobicContact CE-CE1 3.71Å; M414-F416 HydrophobicContact CE-CE2 4.37Å; M414-F416 HydrophobicContact CE-CZ 3.51Å; M414-F416 WeakPolarHBondContact O-CD1 3.27Å; M414-F416 PolarHBondContact O-N 3.19Å
415	A	82.7	Confident	88.4	Confident	65 Å²	65	48.4 Å²	48.4	54%	0.537	28%	0.282	S	S	.	.			trans	53.3	9.8	-178.6	0	0	0	0	0	116.6	S412	S412-A415 PolarHBondContact O-N 2.91Å
416	F	88.5	Confident	88	Confident	110 Å²	110	46.8 Å²	46.8	48%	0.482	27%	0.269	S	S	.	.	S	Bend	trans	-143.4	150.9	174.6	73.9	-92.7	0	0	0	110.8	V409 M414 P418	V409-F416 VanDerWaalsContact CG1-O 3.3Å; V409-F416 WeakPolarHBondContact CG1-O 3.19Å; M414-F416 HydrophobicContact CE-CE1 3.71Å; M414-F416 HydrophobicContact CE-CE2 4.37Å; M414-F416 HydrophobicContact CE-CZ 3.51Å; M414-F416 WeakPolarHBondContact O-CD1 3.27Å; M414-F416 PolarHBondContact O-N 3.19Å; F416-P418 WeakPolarHBondContact O-CD 3.41Å
417	I	88.7	Confident	87.4	Confident	33 Å²	33	49.6 Å²	49.6	17%	0.169	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-77.1	120	175.9	-60.3	176.6	0	0	0	108.7	Y332 L336 R406 L410 E423	Y332-I417 HydrophobicContact CE2-CD1 3.89Å; Y332-I417 WeakPolarHBondContact OH-CD1 3.3Å; L336-I417 HydrophobicContact CD1-CD1 3.87Å; R406-I417 HydrophobicContact CB-CD1 4.26Å; L410-I417 HydrophobicContact CD1-CD1 4.24Å; L410-I417 HydrophobicContact CD1-CG1 4.33Å; L410-I417 HydrophobicContact CD2-CG1 3.97Å; L410-I417 HydrophobicContact CG-CD1 4.39Å; L410-I417 HydrophobicContact CG-CG1 3.94Å; I417-E423 HydrophobicContact CG2-CG 4.16Å
418	P	84.1	Confident	86	Confident	38 Å²	38	53.4 Å²	53.4	25%	0.247	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-59.8	145.6	-179.5	-24.3	33.9	0	0	0	111.8	V409 F416	V409-P418 HydrophobicContact CG1-CG 4.25Å; F416-P418 WeakPolarHBondContact O-CD 3.41Å
419	P	85.3	Confident	84.7	Confident	77 Å²	77	50.9 Å²	50.9	50%	0.5	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-64.8	137.5	173.6	28.9	-34.1	0	0	0	110.1
420	D	88.3	Confident	82.8	Confident	21 Å²	21	52.2 Å²	52.2	11%	0.112	29%	0.293	C	S	.	.			trans	-148.7	172.2	171.8	60.2	41.2	0	0	0	109.5	Q158 R406 F422 E423 D424	Q158-D420 HydrophobicContact CB-CB 4.48Å; Q158-D420 VanDerWaalsContact O-CB 3.28Å; Q158-D420 WeakPolarHBondContact O-CB 3.37Å; R406-D420 IonicContact CZ-OD2 2.82Å; R406-D420 IonicContact NH1-OD2 2.78Å; R406-D420 PolarHBondContact NH1-OD2 2.89Å; R406-D420 IonicContact NH2-OD1 3.53Å; R406-D420 PolarHBondContact NH2-OD1 3.49Å; R406-D420 IonicContact NH2-OD2 3.86Å; R406-D420 PolarHBondContact NH2-OD2 3.04Å; D420-F422 PolarHBondContact O-N 2.82Å; D420-F422 VanDerWaalsContact O-N 3.13Å; D420-F422 WeakPolarHBondContact OD1-CA 3.48Å; D420-F422 VanDerWaalsContact OD1-CB 3.27Å; D420-F422 WeakPolarHBondContact OD1-CB 3.25Å; D420-F422 PolarHBondContact OD1-N 3.12Å; D420-E423 PolarHBondContact O-N 3.1Å; D420-E423 WeakPolarHBondContact OD1-CG 3.12Å; D420-E423 PolarHBondContact OD1-N 2.78Å; D420-D424 WeakPolarHBondContact O-CB 3.46Å; D420-D424 PolarHBondContact O-N 3.19Å
421	D	86.1	Confident	81	Confident	27 Å²	27	52.3 Å²	52.3	14%	0.144	29%	0.294	C	S	.	.	H	α-helix	trans	-59.2	-26.6	-178.5	-78.7	-24.4	0	0	0	112.7	Q158 F159 Q160 Y214 L322 I425	Q158-D421 PolarHBondContact O-N 3.31Å; F159-D421 VanDerWaalsContact CA-OD2 3.28Å; F159-D421 WeakPolarHBondContact CA-OD2 3.18Å; F159-D421 WeakPolarHBondContact CB-OD2 3.47Å; F159-D421 WeakPolarHBondContact CD1-OD1 3.41Å; Q160-D421 PolarHBondContact N-OD2 2.91Å; Y214-D421 HydrophobicContact CE1-CB 3.99Å; Y214-D421 PolarHBondContact OH-N 3.24Å; L322-D421 HydrophobicContact CD2-CB 4.49Å; D421-I425 WeakPolarHBondContact O-CB 3.49Å; D421-I425 WeakPolarHBondContact O-CD1 3.46Å; D421-I425 WeakPolarHBondContact O-CG1 3.37Å; D421-I425 PolarHBondContact O-N 3.41Å
422	F	91.1	Very high	78.9	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-73.9	-47.3	176.4	-178.5	-112.2	0	0	0	111.7	Y214 P215 L322 M325 A326 L329 Y332 F402 D420 D424 I425 I426	Y214-F422 HydrophobicContact CE1-CB 4.02Å; Y214-F422 PolarHBondContact OH-N 3.21Å; P215-F422 HydrophobicContact CB-CB 3.98Å; P215-F422 HydrophobicContact CB-CD1 4.3Å; P215-F422 HydrophobicContact CB-CD2 4.44Å; P215-F422 HydrophobicContact CB-CG 4Å; P215-F422 HydrophobicContact CG-CB 4.11Å; P215-F422 HydrophobicContact CG-CD1 3.75Å; P215-F422 HydrophobicContact CG-CD2 3.68Å; P215-F422 HydrophobicContact CG-CE1 4.01Å; P215-F422 HydrophobicContact CG-CE2 3.96Å; P215-F422 HydrophobicContact CG-CG 3.57Å; P215-F422 HydrophobicContact CG-CZ 4.13Å; L322-F422 HydrophobicContact CD1-CD2 3.83Å; M325-F422 HydrophobicContact CB-CE2 3.94Å; A326-F422 HydrophobicContact CB-CE2 4.2Å; L329-F422 HydrophobicContact CB-CZ 3.93Å; Y332-F422 HydrophobicContact CE1-CE1 4.15Å; F402-F422 HydrophobicContact CE1-CE1 4.15Å; F402-F422 HydrophobicContact CE2-CD1 4.3Å; F402-F422 HydrophobicContact CE2-CE1 4.32Å; F402-F422 AromaticContact CZ-CD1 3.84Å; F402-F422 HydrophobicContact CZ-CD1 3.84Å; F402-F422 AromaticContact CZ-CE1 3.5Å; F402-F422 HydrophobicContact CZ-CE1 3.5Å; F402-F422 HydrophobicContact CZ-CZ 4.47Å; D420-F422 PolarHBondContact O-N 2.82Å; D420-F422 VanDerWaalsContact O-N 3.13Å; D420-F422 WeakPolarHBondContact OD1-CA 3.48Å; D420-F422 VanDerWaalsContact OD1-CB 3.27Å; D420-F422 WeakPolarHBondContact OD1-CB 3.25Å; D420-F422 PolarHBondContact OD1-N 3.12Å; F422-D424 PolarHBondContact O-N 3.14Å; F422-I425 PolarHBondContact O-N 3.18Å; F422-I426 HydrophobicContact CD1-CD1 3.64Å; F422-I426 HydrophobicContact CD1-CG1 4.48Å; F422-I426 HydrophobicContact CE1-CD1 3.32Å; F422-I426 HydrophobicContact CE1-CG1 4.2Å; F422-I426 HydrophobicContact CE2-CD1 4.43Å; F422-I426 HydrophobicContact CE2-CG1 4.49Å; F422-I426 HydrophobicContact CG-CD1 4.34Å; F422-I426 HydrophobicContact CZ-CD1 3.75Å; F422-I426 HydrophobicContact CZ-CG1 4.19Å; F422-I426 WeakPolarHBondContact O-CG1 3.36Å; F422-I426 PolarHBondContact O-N 3.37Å
423	E	89.8	Confident	77.1	Confident	10 Å²	10	58.6 Å²	58.6	5%	0.047	32%	0.316	C	S	.	.	H	α-helix	trans	-61.7	-42	174.8	-61.7	-53.2	126.3	0	0	111.7	Y332 R333 R406 I417 D420 I425 I426 D427	Y332-E423 PolarHBondContact OH-OE1 3.31Å; Y332-E423 PolarHBondContact OH-OE2 3.36Å; R333-E423 IonicContact CZ-OE2 3.43Å; R333-E423 IonicContact NE-OE2 3.45Å; R333-E423 PolarHBondContact NE-OE2 3.39Å; R333-E423 PolarHBondContact NH2-O 2.79Å; R333-E423 IonicContact NH2-OE2 3.33Å; R333-E423 PolarHBondContact NH2-OE2 3.46Å; R406-E423 IonicContact CZ-OE1 3.46Å; R406-E423 IonicContact NE-OE1 2.64Å; R406-E423 IonicContact NH2-OE1 3.45Å; R406-E423 PolarHBondContact NH2-OE1 2.91Å; I417-E423 HydrophobicContact CG2-CG 4.16Å; D420-E423 PolarHBondContact O-N 3.1Å; D420-E423 WeakPolarHBondContact OD1-CG 3.12Å; D420-E423 PolarHBondContact OD1-N 2.78Å; E423-I425 PolarHBondContact O-N 3.21Å; E423-I426 PolarHBondContact O-N 3.13Å; E423-D427 PolarHBondContact O-N 2.82Å
424	D	87.1	Confident	75.3	Confident	51 Å²	51	61.9 Å²	61.9	27%	0.273	32%	0.316	S	S	.	.	H	α-helix	trans	-56.6	-40	174.9	-88.7	1.9	0	0	0	110.9	D420 F422 H428 K459	D420-D424 WeakPolarHBondContact O-CB 3.46Å; D420-D424 PolarHBondContact O-N 3.19Å; F422-D424 PolarHBondContact O-N 3.14Å; D424-H428 PolarHBondContact O-CD2 3.37Å; D424-H428 PolarHBondContact O-N 2.91Å; D424-K459 IonicContact OD2-NZ 3.66Å
425	I	85.6	Confident	73.9	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.015	30%	0.301	C	S	.	.	H	α-helix	trans	-73.9	-43.4	178.6	-71.2	166.2	0	0	0	111.1	R319 L322 A326 D421 F422 E423 D427 H428 V429 F449	R319-I425 VanDerWaalsContact NH1-CG1 3.32Å; L322-I425 HydrophobicContact CB-CD1 4.34Å; L322-I425 HydrophobicContact CD1-CD1 4.17Å; L322-I425 HydrophobicContact CD2-CD1 3.09Å; L322-I425 HydrophobicContact CG-CD1 3.25Å; A326-I425 HydrophobicContact CB-CG2 3.58Å; D421-I425 WeakPolarHBondContact O-CB 3.49Å; D421-I425 WeakPolarHBondContact O-CD1 3.46Å; D421-I425 WeakPolarHBondContact O-CG1 3.37Å; D421-I425 PolarHBondContact O-N 3.41Å; F422-I425 PolarHBondContact O-N 3.18Å; E423-I425 PolarHBondContact O-N 3.21Å; I425-D427 VanDerWaalsContact C-N 3.29Å; I425-D427 PolarHBondContact O-N 2.78Å; I425-H428 PolarHBondContact O-N 3.49Å; I425-H428 VanDerWaalsContact O-N 3.15Å; I425-V429 HydrophobicContact CG2-CG2 3.92Å; I425-V429 WeakPolarHBondContact O-CB 3.45Å; I425-V429 WeakPolarHBondContact O-CG2 3.29Å; I425-V429 PolarHBondContact O-N 2.95Å; I425-F449 HydrophobicContact CG2-CE1 3.96Å
426	I	84.6	Confident	72.5	Confident	13 Å²	13	59 Å²	59	7%	0.067	31%	0.314	C	S	.	.	H	α-helix	trans	-55	-48.2	176.1	-67.3	164.5	0	0	0	110.5	A326 G330 Y332 F422 E423 H428 V429 S430	A326-I426 HydrophobicContact CB-CG1 4.45Å; G330-I426 WeakPolarHBondContact O-CG2 3.34Å; Y332-I426 HydrophobicContact CD1-CD1 4.32Å; Y332-I426 HydrophobicContact CE1-CD1 3.79Å; F422-I426 HydrophobicContact CD1-CD1 3.64Å; F422-I426 HydrophobicContact CD1-CG1 4.48Å; F422-I426 HydrophobicContact CE1-CD1 3.32Å; F422-I426 HydrophobicContact CE1-CG1 4.2Å; F422-I426 HydrophobicContact CE2-CD1 4.43Å; F422-I426 HydrophobicContact CE2-CG1 4.49Å; F422-I426 HydrophobicContact CG-CD1 4.34Å; F422-I426 HydrophobicContact CZ-CD1 3.75Å; F422-I426 HydrophobicContact CZ-CG1 4.19Å; F422-I426 WeakPolarHBondContact O-CG1 3.36Å; F422-I426 PolarHBondContact O-N 3.37Å; E423-I426 PolarHBondContact O-N 3.13Å; I426-H428 PolarHBondContact O-N 3.47Å; I426-V429 CarbonylContact O-C 3.51Å; I426-V429 PolarHBondContact O-N 3.28Å; I426-S430 PolarHBondContact O-N 2.94Å
427	D	80.2	Confident	71.2	Confident	81 Å²	81	55.1 Å²	55.1	43%	0.433	30%	0.304	S	S	.	.	H	α-helix	trans	-59	-35.3	-178.1	-75.6	-6.1	0	0	0	111.9	R333 E423 I425 S430	R333-D427 IonicContact CZ-OD1 2.88Å; R333-D427 VanDerWaalsContact CZ-OD1 3.23Å; R333-D427 IonicContact NH1-OD1 2.71Å; R333-D427 PolarHBondContact NH1-OD1 2.7Å; R333-D427 IonicContact NH2-OD1 2.95Å; R333-D427 PolarHBondContact NH2-OD1 3Å; E423-D427 PolarHBondContact O-N 2.82Å; I425-D427 VanDerWaalsContact C-N 3.29Å; I425-D427 PolarHBondContact O-N 2.78Å; D427-S430 PolarHBondContact O-OG 3.26Å
428	H	64.2	Low	70.3	Confident	83 Å²	83	53.7 Å²	53.7	38%	0.384	30%	0.297	S	S	.	.	H	α-helix	trans	-84.9	-23.2	177.2	-64.8	-38.7	0	0	0	114.2	D424 I425 I426 S430 I452	D424-H428 PolarHBondContact O-CD2 3.37Å; D424-H428 PolarHBondContact O-N 2.91Å; I425-H428 PolarHBondContact O-N 3.49Å; I425-H428 VanDerWaalsContact O-N 3.15Å; I426-H428 PolarHBondContact O-N 3.47Å; H428-S430 VanDerWaalsContact C-N 3.27Å; H428-I452 HydrophobicContact CB-CD1 3.23Å; H428-I452 HydrophobicContact CB-CG1 3.96Å
429	V	63.9	Low	69.5	Low	3 Å²	3	56 Å²	56	2%	0.018	31%	0.307	C	S	.	.	H	α-helix	trans	-79.3	-14.2	173.1	179.7	0	0	0	0	111.6	A326 I425 I426 I431 F444 F449	A326-V429 HydrophobicContact CB-CG2 4.49Å; I425-V429 HydrophobicContact CG2-CG2 3.92Å; I425-V429 WeakPolarHBondContact O-CB 3.45Å; I425-V429 WeakPolarHBondContact O-CG2 3.29Å; I425-V429 PolarHBondContact O-N 2.95Å; I426-V429 CarbonylContact O-C 3.51Å; I426-V429 PolarHBondContact O-N 3.28Å; V429-I431 HydrophobicContact CG1-CD1 4.35Å; V429-I431 HydrophobicContact CG1-CG1 3.78Å; V429-I431 WeakPolarHBondContact O-CA 3.48Å; V429-I431 PolarHBondContact O-N 3.25Å; V429-F444 VanDerWaalsContact O-CD1 3.31Å; V429-F444 WeakPolarHBondContact O-CD1 3.5Å; V429-F444 WeakPolarHBondContact O-CE1 3.35Å; V429-F449 HydrophobicContact CB-CE1 4.36Å; V429-F449 HydrophobicContact CB-CZ 4.27Å; V429-F449 HydrophobicContact CG1-CZ 4.04Å; V429-F449 HydrophobicContact CG2-CD1 3.84Å; V429-F449 HydrophobicContact CG2-CE1 2.92Å; V429-F449 HydrophobicContact CG2-CE2 4.19Å; V429-F449 HydrophobicContact CG2-CZ 3.12Å
430	S	50.6	Low	68.5	Low	73 Å²	73	56 Å²	56	51%	0.51	30%	0.303	S	S	.	.			trans	16.9	63.8	169.1	-85.1	0	0	0	0	112.4	I426 D427 H428 P432	I426-S430 PolarHBondContact O-N 2.94Å; D427-S430 PolarHBondContact O-OG 3.26Å; H428-S430 VanDerWaalsContact C-N 3.27Å; S430-P432 WeakPolarHBondContact O-CD 3.31Å
431	I	52.6	Low	67.4	Low	23 Å²	23	55.2 Å²	55.2	12%	0.118	30%	0.299	C	S	.	.			trans	-56.5	118.9	-172.5	-60.5	175.6	0	0	0	105.4	R331 V429 K433 L441	R331-I431 HydrophobicContact CG-CD1 3.58Å; R331-I431 HydrophobicContact CG-CG2 4.49Å; V429-I431 HydrophobicContact CG1-CD1 4.35Å; V429-I431 HydrophobicContact CG1-CG1 3.78Å; V429-I431 WeakPolarHBondContact O-CA 3.48Å; V429-I431 PolarHBondContact O-N 3.25Å; I431-K433 PolarHBondContact O-N 3.39Å; I431-L441 HydrophobicContact CB-CD1 4.07Å; I431-L441 HydrophobicContact CD1-CD1 3.71Å; I431-L441 HydrophobicContact CG1-CD1 3.46Å; I431-L441 VanDerWaalsContact CG1-CD1 3.46Å; I431-L441 HydrophobicContact CG2-CD1 3.71Å
432	P	47.8	Very low	66.5	Low	44 Å²	44	54.2 Å²	54.2	29%	0.286	29%	0.293	S	S	.	.			trans	-51.1	124.8	-173.7	-24.8	29.8	0	0	0	109.2	S430 R434 S435 F444	S430-P432 WeakPolarHBondContact O-CD 3.31Å; P432-R434 CarbonylContact O-C 3.53Å; P432-R434 PolarHBondContact O-N 3.44Å; P432-S435 PolarHBondContact O-N 3.15Å; P432-S435 VanDerWaalsContact O-N 3.15Å; P432-S435 PolarHBondContact O-OG 2.72Å; P432-F444 HydrophobicContact CG-CD2 4.31Å
433	K	51.6	Low	65.2	Low	201 Å²	201	58.1 Å²	58.1	87%	0.874	31%	0.314	S	S	*	.	S	Bend	trans	-49.3	-33.4	-177.1	-70	-174.2	179.5	-177	0	111.5	R331 I431	R331-K433 PolarHBondContact NH2-O 2.8Å; I431-K433 PolarHBondContact O-N 3.39Å
434	R	48	Very low	63.8	Low	245 Å²	245	60.4 Å²	60.4	93%	0.925	32%	0.324	S	S	*	.	S	Bend	trans	-117.5	91.2	167.2	-67.4	178.9	178.2	175.8	-1.4	108.6	P432	P432-R434 CarbonylContact O-C 3.53Å; P432-R434 PolarHBondContact O-N 3.44Å
435	S	50.8	Low	62.5	Low	27 Å²	27	58 Å²	58	19%	0.189	31%	0.311	C	S	.	.			trans	-110.6	130.6	168.8	27.4	0	0	0	0	107.6	P432 G437	P432-S435 PolarHBondContact O-N 3.15Å; P432-S435 VanDerWaalsContact O-N 3.15Å; P432-S435 PolarHBondContact O-OG 2.72Å; S435-G437 PolarHBondContact O-N 3.47Å
436	G	53	Low	61.4	Low	77 Å²	77	62.1 Å²	62.1	79%	0.794	33%	0.327	S	S	*	.			trans	-73.3	34.8	-173.4	0	0	0	0	0	114.5	D440	G436-D440 VanDerWaalsContact CA-OD2 3.26Å; G436-D440 WeakPolarHBondContact CA-OD2 3.37Å; G436-D440 PolarHBondContact N-OD2 2.93Å
437	G	62.6	Low	60.2	Low	27 Å²	27	65.4 Å²	65.4	28%	0.278	35%	0.348	S	S	.	.	S	Bend	trans	119.7	-177	177.4	0	0	0	0	0	114.3	S435 N439 D440	S435-G437 PolarHBondContact O-N 3.47Å; G437-N439 VanDerWaalsContact C-N 3.3Å; G437-N439 PolarHBondContact O-N 3.19Å; G437-D440 PolarHBondContact O-N 3.33Å
438	L	69.1	Low	59.3	Low	3 Å²	3	64 Å²	64	2%	0.016	34%	0.338	C	S	.	.	H	α-helix	trans	-59.3	-38.2	-175.9	179.4	57.3	0	0	0	112.7	V283 L284 E385 L386 D440 L441 L442	V283-L438 HydrophobicContact CB-CD2 4.12Å; V283-L438 HydrophobicContact CG1-CD2 3.95Å; V283-L438 HydrophobicContact CG1-CG 4.29Å; L284-L438 HydrophobicContact CD2-CD1 3.96Å; L284-L438 HydrophobicContact CG-CD2 4.5Å; E385-L438 HydrophobicContact CB-CB 4.44Å; E385-L438 HydrophobicContact CB-CD2 4.18Å; E385-L438 WeakPolarHBondContact OE2-CD2 3.21Å; L386-L438 HydrophobicContact CD1-CD1 3.78Å; L386-L438 HydrophobicContact CD2-CD1 3.97Å; L386-L438 HydrophobicContact CD2-CD2 3.79Å; L386-L438 HydrophobicContact CG-CD1 3.91Å; L386-L438 HydrophobicContact CG-CD2 4.22Å; L438-D440 VanDerWaalsContact C-N 3.31Å; L438-D440 PolarHBondContact O-N 3.18Å; L438-L441 HydrophobicContact CD1-CD2 4.47Å; L438-L441 WeakPolarHBondContact O-CB 3.36Å; L438-L441 PolarHBondContact O-N 2.93Å; L438-L442 HydrophobicContact CD1-CD1 4.19Å; L438-L442 HydrophobicContact CD1-CD2 4.42Å; L438-L442 HydrophobicContact CD1-CG 4.06Å; L438-L442 HydrophobicContact CG-CD1 4Å; L438-L442 HydrophobicContact CG-CG 4.28Å; L438-L442 WeakPolarHBondContact O-CG 3.35Å; L438-L442 PolarHBondContact O-N 3.17Å
439	N	67.5	Low	59.1	Low	87 Å²	87	60.1 Å²	60.1	47%	0.465	32%	0.32	S	S	.	.	H	α-helix	trans	-62.1	-36.8	-179.2	-75.5	-39.9	0	0	0	113	G437 L442 N443	G437-N439 VanDerWaalsContact C-N 3.3Å; G437-N439 PolarHBondContact O-N 3.19Å; N439-L442 PolarHBondContact O-N 3.12Å; N439-N443 VanDerWaalsContact O-CB 3.31Å; N439-N443 WeakPolarHBondContact O-CB 3.45Å; N439-N443 VanDerWaalsContact O-CG 3.26Å; N439-N443 PolarHBondContact O-N 3.08Å; N439-N443 PolarHBondContact O-ND2 2.96Å; N439-N443 VanDerWaalsContact O-ND2 3.16Å
440	D	65.1	Low	59.1	Low	76 Å²	76	63.7 Å²	63.7	41%	0.406	34%	0.34	S	S	.	.	H	α-helix	trans	-66	-43.6	176.7	-74.1	-9.9	0	0	0	111	G436 G437 L438 L442 N443 F444	G436-D440 VanDerWaalsContact CA-OD2 3.26Å; G436-D440 WeakPolarHBondContact CA-OD2 3.37Å; G436-D440 PolarHBondContact N-OD2 2.93Å; G437-D440 PolarHBondContact O-N 3.33Å; L438-D440 VanDerWaalsContact C-N 3.31Å; L438-D440 PolarHBondContact O-N 3.18Å; D440-L442 VanDerWaalsContact C-N 3.33Å; D440-L442 PolarHBondContact O-N 3.14Å; D440-N443 PolarHBondContact O-N 3.11Å; D440-F444 VanDerWaalsContact O-CB 3.23Å; D440-F444 WeakPolarHBondContact O-CB 3.41Å; D440-F444 PolarHBondContact O-N 3.22Å
441	L	65	Low	59.7	Low	6 Å²	6	65.4 Å²	65.4	3%	0.031	34%	0.338	C	S	.	.	H	α-helix	trans	-59.5	-44.3	176	175.5	58.8	0	0	0	111.5	I327 I431 L438 G445	I327-L441 HydrophobicContact CG1-CG 4.43Å; I327-L441 HydrophobicContact CG2-CD2 3.81Å; I327-L441 HydrophobicContact CG2-CG 4.35Å; I431-L441 HydrophobicContact CB-CD1 4.07Å; I431-L441 HydrophobicContact CD1-CD1 3.71Å; I431-L441 HydrophobicContact CG1-CD1 3.46Å; I431-L441 VanDerWaalsContact CG1-CD1 3.46Å; I431-L441 HydrophobicContact CG2-CD1 3.71Å; L438-L441 HydrophobicContact CD1-CD2 4.47Å; L438-L441 WeakPolarHBondContact O-CB 3.36Å; L438-L441 PolarHBondContact O-N 2.93Å; L441-G445 PolarHBondContact O-N 2.91Å
442	L	67.1	Low	59.8	Low	5 Å²	5	64.9 Å²	64.9	3%	0.026	34%	0.335	C	S	.	.	H	α-helix	trans	-71.7	-37.6	-179.5	-66.7	-176.4	0	0	0	113.6	V283 L284 W287 I327 L438 N439 D440 R446	V283-L442 HydrophobicContact CG1-CD1 3.35Å; L284-L442 HydrophobicContact CD2-CD1 4.36Å; L284-L442 HydrophobicContact CD2-CD2 3.8Å; W287-L442 HydrophobicContact CB-CD1 4.15Å; W287-L442 HydrophobicContact CB-CD2 4.2Å; W287-L442 HydrophobicContact CD2-CD2 3.96Å; W287-L442 HydrophobicContact CG-CB 4.45Å; W287-L442 HydrophobicContact CG-CD1 4.35Å; W287-L442 HydrophobicContact CG-CD2 3.7Å; W287-L442 HydrophobicContact CG-CG 4.38Å; W287-L442 PolarHBondContact NE1-O 3.33Å; I327-L442 HydrophobicContact CD1-CD2 3.83Å; I327-L442 HydrophobicContact CG2-CD2 4.39Å; L438-L442 HydrophobicContact CD1-CD1 4.19Å; L438-L442 HydrophobicContact CD1-CD2 4.42Å; L438-L442 HydrophobicContact CD1-CG 4.06Å; L438-L442 HydrophobicContact CG-CD1 4Å; L438-L442 HydrophobicContact CG-CG 4.28Å; L438-L442 WeakPolarHBondContact O-CG 3.35Å; L438-L442 PolarHBondContact O-N 3.17Å; N439-L442 PolarHBondContact O-N 3.12Å; D440-L442 VanDerWaalsContact C-N 3.33Å; D440-L442 PolarHBondContact O-N 3.14Å; L442-R446 WeakPolarHBondContact O-CG 3.37Å; L442-R446 PolarHBondContact O-N 3.47Å
443	N	64	Low	60.3	Low	82 Å²	82	64.3 Å²	64.3	44%	0.439	33%	0.331	S	S	.	.	H	α-helix	trans	-68.3	-40.3	174.8	-75.4	-31.4	0	0	0	111.4	N439 D440 R446	N439-N443 VanDerWaalsContact O-CB 3.31Å; N439-N443 WeakPolarHBondContact O-CB 3.45Å; N439-N443 VanDerWaalsContact O-CG 3.26Å; N439-N443 PolarHBondContact O-N 3.08Å; N439-N443 PolarHBondContact O-ND2 2.96Å; N439-N443 VanDerWaalsContact O-ND2 3.16Å; D440-N443 PolarHBondContact O-N 3.11Å; N443-R446 WeakPolarHBondContact O-CB 3.37Å; N443-R446 PolarHBondContact O-N 2.82Å; N443-R446 PolarHBondContact OD1-NH1 2.9Å
444	F	60.4	Low	60.8	Low	58 Å²	58	61.8 Å²	61.8	25%	0.254	32%	0.316	S	S	.	.	H	α-helix	trans	-62	-45.5	174.4	-172.7	-91.8	0	0	0	111.7	V429 P432 D440 R446 T447 E448	V429-F444 VanDerWaalsContact O-CD1 3.31Å; V429-F444 WeakPolarHBondContact O-CD1 3.5Å; V429-F444 WeakPolarHBondContact O-CE1 3.35Å; P432-F444 HydrophobicContact CG-CD2 4.31Å; D440-F444 VanDerWaalsContact O-CB 3.23Å; D440-F444 WeakPolarHBondContact O-CB 3.41Å; D440-F444 PolarHBondContact O-N 3.22Å; F444-R446 VanDerWaalsContact C-N 3.27Å; F444-R446 PolarHBondContact O-N 2.9Å; F444-T447 PolarHBondContact O-N 2.97Å; F444-T447 PolarHBondContact O-OG1 3.29Å; F444-E448 HydrophobicContact CD1-CB 4.49Å; F444-E448 HydrophobicContact CD1-CG 4.14Å; F444-E448 HydrophobicContact CD2-CG 4.46Å; F444-E448 HydrophobicContact CE1-CB 4.03Å; F444-E448 HydrophobicContact CE1-CG 3.53Å; F444-E448 HydrophobicContact CE2-CG 3.94Å; F444-E448 HydrophobicContact CZ-CB 4.42Å; F444-E448 HydrophobicContact CZ-CG 3.45Å; F444-E448 VanDerWaalsContact CZ-CG 3.45Å; F444-E448 PolarHBondContact O-N 3.24Å
445	G	59.3	Low	61.5	Low	1 Å²	1	56.6 Å²	56.6	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-51.5	-47.5	174.4	0	0	0	0	0	111.6	L441 T447 E448 F449	L441-G445 PolarHBondContact O-N 2.91Å; G445-T447 VanDerWaalsContact C-N 3.31Å; G445-T447 PolarHBondContact O-N 3.04Å; G445-E448 PolarHBondContact O-N 3.04Å; G445-F449 WeakPolarHBondContact O-CB 3.46Å; G445-F449 WeakPolarHBondContact O-CD2 3.29Å; G445-F449 WeakPolarHBondContact O-CG 3.14Å; G445-F449 PolarHBondContact O-N 3.36Å
446	R	62.7	Low	61.7	Low	90 Å²	90	57.6 Å²	57.6	34%	0.34	30%	0.303	S	S	.	.	H	α-helix	trans	-54.1	-42.1	-177.6	-72	170.2	-178.9	176.4	3.6	113.5	L442 N443 F444	L442-R446 WeakPolarHBondContact O-CG 3.37Å; L442-R446 PolarHBondContact O-N 3.47Å; N443-R446 WeakPolarHBondContact O-CB 3.37Å; N443-R446 PolarHBondContact O-N 2.82Å; N443-R446 PolarHBondContact OD1-NH1 2.9Å; F444-R446 VanDerWaalsContact C-N 3.27Å; F444-R446 PolarHBondContact O-N 2.9Å
447	T	59.7	Low	62.2	Low	82 Å²	82	55 Å²	55	50%	0.503	27%	0.272	S	S	.	.	H	α-helix	trans	-85.7	-39.5	-175.1	51.8	0	0	0	0	113.6	F444 G445	F444-T447 PolarHBondContact O-N 2.97Å; F444-T447 PolarHBondContact O-OG1 3.29Å; G445-T447 VanDerWaalsContact C-N 3.31Å; G445-T447 PolarHBondContact O-N 3.04Å
448	E	60.1	Low	62.2	Low	51 Å²	51	60.5 Å²	60.5	24%	0.238	28%	0.284	C	S	.	.	H	α-helix	trans	-80.6	-35.8	-176.1	-65	-47.1	108.9	0	0	112.1	F444 G445 D450 K451 I452	F444-E448 HydrophobicContact CD1-CB 4.49Å; F444-E448 HydrophobicContact CD1-CG 4.14Å; F444-E448 HydrophobicContact CD2-CG 4.46Å; F444-E448 HydrophobicContact CE1-CB 4.03Å; F444-E448 HydrophobicContact CE1-CG 3.53Å; F444-E448 HydrophobicContact CE2-CG 3.94Å; F444-E448 HydrophobicContact CZ-CB 4.42Å; F444-E448 HydrophobicContact CZ-CG 3.45Å; F444-E448 VanDerWaalsContact CZ-CG 3.45Å; F444-E448 PolarHBondContact O-N 3.24Å; G445-E448 PolarHBondContact O-N 3.04Å; E448-D450 VanDerWaalsContact C-N 3.33Å; E448-D450 PolarHBondContact O-N 2.87Å; E448-K451 PolarHBondContact O-N 2.9Å; E448-K451 IonicContact OE1-NZ 2.94Å; E448-K451 PolarHBondContact OE1-NZ 2.65Å; E448-K451 IonicContact OE2-NZ 3.6Å; E448-K451 PolarHBondContact OE2-NZ 3.4Å; E448-I452 WeakPolarHBondContact O-CD1 3.26Å; E448-I452 WeakPolarHBondContact O-CG1 3.34Å; E448-I452 PolarHBondContact O-N 2.85Å
449	F	61	Low	61.6	Low	1 Å²	1	64.6 Å²	64.6	0%	0.004	30%	0.302	C	S	.	.	H	α-helix	trans	-59.6	-42.1	177.1	-73	-53.6	0	0	0	112.3	W287 E323 I327 I425 V429 G445 K451 I452 T453	W287-F449 HydrophobicContact CH2-CD2 4.32Å; W287-F449 AromaticContact CH2-CE2 3.99Å; W287-F449 HydrophobicContact CH2-CE2 3.99Å; W287-F449 AromaticContact CZ2-CD2 3.91Å; W287-F449 HydrophobicContact CZ2-CD2 3.91Å; W287-F449 AromaticContact CZ2-CE2 3.75Å; W287-F449 HydrophobicContact CZ2-CE2 3.75Å; E323-F449 HydrophobicContact CB-CD1 4.16Å; E323-F449 HydrophobicContact CB-CD2 4.26Å; E323-F449 HydrophobicContact CB-CE1 3.65Å; E323-F449 HydrophobicContact CB-CE2 3.9Å; E323-F449 HydrophobicContact CB-CG 4.45Å; E323-F449 HydrophobicContact CB-CZ 3.56Å; E323-F449 VanDerWaalsContact CD-CD1 3.49Å; E323-F449 VanDerWaalsContact CD-CG 3.42Å; E323-F449 HydrophobicContact CG-CD1 3.51Å; E323-F449 HydrophobicContact CG-CD2 4.22Å; E323-F449 HydrophobicContact CG-CE1 3.42Å; E323-F449 VanDerWaalsContact CG-CE1 3.42Å; E323-F449 HydrophobicContact CG-CE2 4.28Å; E323-F449 HydrophobicContact CG-CG 3.93Å; E323-F449 HydrophobicContact CG-CZ 3.88Å; E323-F449 WeakPolarHBondContact OE1-CB 3.24Å; I327-F449 HydrophobicContact CD1-CE2 4.3Å; I425-F449 HydrophobicContact CG2-CE1 3.96Å; V429-F449 HydrophobicContact CB-CE1 4.36Å; V429-F449 HydrophobicContact CB-CZ 4.27Å; V429-F449 HydrophobicContact CG1-CZ 4.04Å; V429-F449 HydrophobicContact CG2-CD1 3.84Å; V429-F449 HydrophobicContact CG2-CE1 2.92Å; V429-F449 HydrophobicContact CG2-CE2 4.19Å; V429-F449 HydrophobicContact CG2-CZ 3.12Å; G445-F449 WeakPolarHBondContact O-CB 3.46Å; G445-F449 WeakPolarHBondContact O-CD2 3.29Å; G445-F449 WeakPolarHBondContact O-CG 3.14Å; G445-F449 PolarHBondContact O-N 3.36Å; F449-K451 VanDerWaalsContact C-N 3.31Å; F449-K451 PolarHBondContact O-N 3.16Å; F449-I452 HydrophobicContact CD1-CD1 4.39Å; F449-I452 WeakPolarHBondContact O-CB 3.45Å; F449-I452 PolarHBondContact O-N 2.57Å; F449-T453 PolarHBondContact O-N 3.47Å; F449-T453 PolarHBondContact O-OG1 2.8Å; F449-T453 VanDerWaalsContact O-OG1 3.08Å
450	D	63.7	Low	61	Low	79 Å²	79	62.2 Å²	62.2	42%	0.422	29%	0.292	S	S	.	.	H	α-helix	trans	-66.8	-28.1	-178.6	-73.8	-7.9	0	0	0	113.5	R291 E448 I452	R291-D450 IonicContact CZ-OD1 2.73Å; R291-D450 IonicContact NH1-OD1 2.81Å; R291-D450 PolarHBondContact NH1-OD1 3.39Å; R291-D450 IonicContact NH2-OD1 3.65Å; R291-D450 PolarHBondContact NH2-OD1 2.85Å; E448-D450 VanDerWaalsContact C-N 3.33Å; E448-D450 PolarHBondContact O-N 2.87Å; D450-I452 VanDerWaalsContact C-N 3.33Å
451	K	62.8	Low	60.6	Low	108 Å²	108	60.6 Å²	60.6	47%	0.47	28%	0.282	S	S	.	.	H	α-helix	trans	-68.7	-36.4	172.6	-68.5	173.6	-173.6	162.6	0	110.9	E448 F449	E448-K451 PolarHBondContact O-N 2.9Å; E448-K451 IonicContact OE1-NZ 2.94Å; E448-K451 PolarHBondContact OE1-NZ 2.65Å; E448-K451 IonicContact OE2-NZ 3.6Å; E448-K451 PolarHBondContact OE2-NZ 3.4Å; F449-K451 VanDerWaalsContact C-N 3.31Å; F449-K451 PolarHBondContact O-N 3.16Å
452	I	54.1	Low	59.9	Low	12 Å²	12	66.8 Å²	66.8	6%	0.062	31%	0.309	C	S	.	.	H	α-helix	trans	-77.4	-35.3	-179.6	-54.6	156.9	0	0	0	111	H428 E448 F449 D450 R454 K455 L456	H428-I452 HydrophobicContact CB-CD1 3.23Å; H428-I452 HydrophobicContact CB-CG1 3.96Å; E448-I452 WeakPolarHBondContact O-CD1 3.26Å; E448-I452 WeakPolarHBondContact O-CG1 3.34Å; E448-I452 PolarHBondContact O-N 2.85Å; F449-I452 HydrophobicContact CD1-CD1 4.39Å; F449-I452 WeakPolarHBondContact O-CB 3.45Å; F449-I452 PolarHBondContact O-N 2.57Å; D450-I452 VanDerWaalsContact C-N 3.33Å; I452-R454 PolarHBondContact O-N 2.8Å; I452-R454 VanDerWaalsContact O-N 3.11Å; I452-K455 CarbonylContact O-C 3.6Å; I452-K455 WeakPolarHBondContact O-CA 3.45Å; I452-K455 WeakPolarHBondContact O-CB 3.49Å; I452-K455 PolarHBondContact O-N 2.8Å; I452-L456 HydrophobicContact CG2-CD1 3.67Å; I452-L456 HydrophobicContact CG2-CG 3.82Å; I452-L456 PolarHBondContact O-N 2.94Å
453	T	59.1	Low	59	Low	32 Å²	32	70.9 Å²	70.9	20%	0.196	33%	0.33	C	S	.	.	H	α-helix	trans	-47.8	-45.4	174.6	-50.6	0	0	0	0	109.8	L316 F449 K455 T457	L316-T453 HydrophobicContact CD2-CG2 3.76Å; F449-T453 PolarHBondContact O-N 3.47Å; F449-T453 PolarHBondContact O-OG1 2.8Å; F449-T453 VanDerWaalsContact O-OG1 3.08Å; T453-K455 VanDerWaalsContact C-N 3.34Å; T453-K455 PolarHBondContact O-N 2.85Å; T453-T457 HydrophobicContact CG2-CG2 4.39Å; T453-T457 WeakPolarHBondContact O-CB 3.32Å; T453-T457 VanDerWaalsContact O-CG2 3.25Å; T453-T457 WeakPolarHBondContact O-CG2 3.36Å; T453-T457 PolarHBondContact O-N 3.46Å; T453-T457 PolarHBondContact O-OG1 3.04Å
454	R	62.2	Low	58	Low	148 Å²	148	68.1 Å²	68.1	56%	0.558	32%	0.317	S	S	*	.	H	α-helix	trans	-67.6	-24.6	175.8	-70.1	-178.1	-79.2	165.5	-6.6	114.8	I452 R458	I452-R454 PolarHBondContact O-N 2.8Å; I452-R454 VanDerWaalsContact O-N 3.11Å; R454-R458 WeakPolarHBondContact O-CB 3.23Å; R454-R458 WeakPolarHBondContact O-CD 3.27Å; R454-R458 WeakPolarHBondContact O-CG 3.36Å; R454-R458 PolarHBondContact O-NE 3.35Å
455	K	61.7	Low	57	Low	136 Å²	136	70.7 Å²	70.7	59%	0.591	33%	0.33	S	S	*	.	H	α-helix	trans	-85	-41.8	176.3	-75.1	-174.1	179.3	178.6	0	112.5	I452 T453 R458 K459	I452-K455 CarbonylContact O-C 3.6Å; I452-K455 WeakPolarHBondContact O-CA 3.45Å; I452-K455 WeakPolarHBondContact O-CB 3.49Å; I452-K455 PolarHBondContact O-N 2.8Å; T453-K455 VanDerWaalsContact C-N 3.34Å; T453-K455 PolarHBondContact O-N 2.85Å; K455-R458 CarbonylContact O-C 3.53Å; K455-R458 WeakPolarHBondContact O-CB 3.43Å; K455-R458 PolarHBondContact O-N 2.9Å; K455-K459 PolarHBondContact O-N 3.4Å
456	L	55.8	Low	56	Low	49 Å²	49	79 Å²	79	26%	0.257	37%	0.365	S	S	.	.	H	α-helix	trans	-75.3	-40	-179.7	-76.1	174.4	0	0	0	112.1	I452 R458 K459 S460	I452-L456 HydrophobicContact CG2-CD1 3.67Å; I452-L456 HydrophobicContact CG2-CG 3.82Å; I452-L456 PolarHBondContact O-N 2.94Å; L456-R458 PolarHBondContact O-N 2.88Å; L456-K459 HydrophobicContact CD2-CD 4.35Å; L456-K459 PolarHBondContact O-N 3.32Å; L456-S460 WeakPolarHBondContact O-CB 3.36Å; L456-S460 PolarHBondContact O-N 2.89Å
457	T	62.7	Low	54.7	Low	22 Å²	22	79.1 Å²	79.1	14%	0.135	37%	0.373	C	S	.	.	H	α-helix	trans	-58.2	-39.8	168.9	60.2	0	0	0	0	109.7	T312 L316 T453 E461	T312-T457 HydrophobicContact CG2-CG2 4.47Å; L316-T457 HydrophobicContact CD2-CG2 4.37Å; T453-T457 HydrophobicContact CG2-CG2 4.39Å; T453-T457 WeakPolarHBondContact O-CB 3.32Å; T453-T457 VanDerWaalsContact O-CG2 3.25Å; T453-T457 WeakPolarHBondContact O-CG2 3.36Å; T453-T457 PolarHBondContact O-N 3.46Å; T453-T457 PolarHBondContact O-OG1 3.04Å; T457-E461 WeakPolarHBondContact O-CA 3.32Å; T457-E461 WeakPolarHBondContact O-CB 3.49Å; T457-E461 WeakPolarHBondContact O-CG 3.33Å; T457-E461 PolarHBondContact O-N 3.46Å
458	R	62.3	Low	53.5	Low	142 Å²	142	79.7 Å²	79.7	54%	0.536	38%	0.376	S	S	.	.	H	α-helix	trans	-67.3	-33.9	172.3	-74.3	174.4	-167.5	174	-1.4	114.5	R454 K455 L456 K462	R454-R458 WeakPolarHBondContact O-CB 3.23Å; R454-R458 WeakPolarHBondContact O-CD 3.27Å; R454-R458 WeakPolarHBondContact O-CG 3.36Å; R454-R458 PolarHBondContact O-NE 3.35Å; K455-R458 CarbonylContact O-C 3.53Å; K455-R458 WeakPolarHBondContact O-CB 3.43Å; K455-R458 PolarHBondContact O-N 2.9Å; L456-R458 PolarHBondContact O-N 2.88Å; R458-K462 WeakPolarHBondContact O-CB 3.49Å; R458-K462 WeakPolarHBondContact O-CD 3.27Å; R458-K462 WeakPolarHBondContact O-CG 3.25Å; R458-K462 PolarHBondContact O-N 3.39Å
459	K	56.4	Low	51.8	Low	89 Å²	89	81.8 Å²	81.8	39%	0.387	39%	0.392	S	S	.	.	H	α-helix	trans	-71.8	-45.1	177.9	-169.6	-176.7	177.9	-171.3	0	109.5	D424 K455 L456 K462 L463	D424-K459 IonicContact OD2-NZ 3.66Å; K455-K459 PolarHBondContact O-N 3.4Å; L456-K459 HydrophobicContact CD2-CD 4.35Å; L456-K459 PolarHBondContact O-N 3.32Å; K459-K462 PolarHBondContact O-N 2.98Å; K459-L463 HydrophobicContact CG-CD1 4.38Å; K459-L463 WeakPolarHBondContact O-CB 3.4Å; K459-L463 PolarHBondContact O-N 2.93Å
460	S	56.7	Low	50.3	Low	37 Å²	37	93.1 Å²	93.1	26%	0.259	44%	0.435	S	S	.	.	H	α-helix	trans	-62.1	-45.8	172.1	179.5	0	0	0	0	111.4	L315 L456 K462 L463 S464	L315-S460 VanDerWaalsContact CD1-OG 3.27Å; L315-S460 WeakPolarHBondContact CD1-OG 3.1Å; L456-S460 WeakPolarHBondContact O-CB 3.36Å; L456-S460 PolarHBondContact O-N 2.89Å; S460-K462 VanDerWaalsContact C-N 3.35Å; S460-K462 PolarHBondContact O-N 2.95Å; S460-L463 CarbonylContact O-C 3.58Å; S460-L463 WeakPolarHBondContact O-CB 3.47Å; S460-L463 PolarHBondContact O-N 2.81Å; S460-S464 WeakPolarHBondContact O-CB 3.5Å; S460-S464 PolarHBondContact O-N 3.4Å; S460-S464 PolarHBondContact O-OG 2.86Å
461	E	55.2	Low	49.1	Very low	43 Å²	43	95 Å²	95	20%	0.201	45%	0.451	C	S	.	.	H	α-helix	trans	-62.5	-38.6	173.2	-77.8	164.2	-167.8	0	0	111.5	T457 S464 Q465	T457-E461 WeakPolarHBondContact O-CA 3.32Å; T457-E461 WeakPolarHBondContact O-CB 3.49Å; T457-E461 WeakPolarHBondContact O-CG 3.33Å; T457-E461 PolarHBondContact O-N 3.46Å; E461-S464 VanDerWaalsContact CA-OG 3.26Å; E461-S464 WeakPolarHBondContact CA-OG 3.38Å; E461-S464 CarbonylContact O-C 3.59Å; E461-S464 PolarHBondContact O-N 3.45Å; E461-S464 PolarHBondContact O-OG 2.69Å; E461-Q465 WeakPolarHBondContact O-CA 3.17Å; E461-Q465 WeakPolarHBondContact O-CB 3.45Å; E461-Q465 WeakPolarHBondContact O-CG 3.45Å; E461-Q465 PolarHBondContact O-N 2.97Å
462	K	51.8	Low	47.4	Very low	136 Å²	136	97 Å²	97	59%	0.591	47%	0.467	S	S	*	.	H	α-helix	trans	-71.6	-33.9	175.8	-80.8	173.5	-178.9	-173.4	0	112.3	R458 K459 S460 K466	R458-K462 WeakPolarHBondContact O-CB 3.49Å; R458-K462 WeakPolarHBondContact O-CD 3.27Å; R458-K462 WeakPolarHBondContact O-CG 3.25Å; R458-K462 PolarHBondContact O-N 3.39Å; K459-K462 PolarHBondContact O-N 2.98Å; S460-K462 VanDerWaalsContact C-N 3.35Å; S460-K462 PolarHBondContact O-N 2.95Å; K462-K466 WeakPolarHBondContact O-CB 3.31Å; K462-K466 VanDerWaalsContact O-CG 3.31Å; K462-K466 WeakPolarHBondContact O-CG 3.43Å; K462-K466 PolarHBondContact O-N 3.11Å
463	L	47.2	Very low	46	Very low	91 Å²	91	103.6 Å²	103.6	48%	0.476	50%	0.503	S	S	.	.	H	α-helix	trans	-63.8	-50.4	168.4	-87.7	149.6	0	0	0	108.5	K459 S460 Q465 K466 L467	K459-L463 HydrophobicContact CG-CD1 4.38Å; K459-L463 WeakPolarHBondContact O-CB 3.4Å; K459-L463 PolarHBondContact O-N 2.93Å; S460-L463 CarbonylContact O-C 3.58Å; S460-L463 WeakPolarHBondContact O-CB 3.47Å; S460-L463 PolarHBondContact O-N 2.81Å; L463-Q465 VanDerWaalsContact C-N 3.3Å; L463-Q465 PolarHBondContact O-N 3.11Å; L463-K466 PolarHBondContact O-N 3.3Å; L463-L467 WeakPolarHBondContact O-CB 3.35Å; L463-L467 VanDerWaalsContact O-CD1 3.29Å; L463-L467 WeakPolarHBondContact O-CD1 3.33Å; L463-L467 WeakPolarHBondContact O-CG 3.25Å; L463-L467 PolarHBondContact O-N 2.88Å
464	S	43	Very low	44.5	Very low	24 Å²	24	108.7 Å²	108.7	17%	0.168	53%	0.528	C	S	.	.	H	α-helix	trans	-66	-25.5	178	79.4	0	0	0	0	114.3	N308 S460 E461 L467 V468	N308-S464 WeakPolarHBondContact ND2-CB 3.39Å; N308-S464 PolarHBondContact ND2-OG 3.4Å; S460-S464 WeakPolarHBondContact O-CB 3.5Å; S460-S464 PolarHBondContact O-N 3.4Å; S460-S464 PolarHBondContact O-OG 2.86Å; E461-S464 VanDerWaalsContact CA-OG 3.26Å; E461-S464 WeakPolarHBondContact CA-OG 3.38Å; E461-S464 CarbonylContact O-C 3.59Å; E461-S464 PolarHBondContact O-N 3.45Å; E461-S464 PolarHBondContact O-OG 2.69Å; S464-L467 WeakPolarHBondContact O-CB 3.35Å; S464-V468 WeakPolarHBondContact O-CG2 3.32Å
465	Q	38.8	Very low	42.6	Very low	112 Å²	112	111.9 Å²	111.9	52%	0.523	54%	0.541	S	S	.	.	H	α-helix	trans	-87.8	-37.3	175.2	-76.1	173.7	3.3	0	0	111.5	E461 L463 L467 V468 T469	E461-Q465 WeakPolarHBondContact O-CA 3.17Å; E461-Q465 WeakPolarHBondContact O-CB 3.45Å; E461-Q465 WeakPolarHBondContact O-CG 3.45Å; E461-Q465 PolarHBondContact O-N 2.97Å; L463-Q465 VanDerWaalsContact C-N 3.3Å; L463-Q465 PolarHBondContact O-N 3.11Å; Q465-L467 PolarHBondContact O-N 2.86Å; Q465-V468 CarbonylContact O-C 3.52Å; Q465-V468 PolarHBondContact O-N 3.07Å; Q465-T469 PolarHBondContact O-N 2.95Å; Q465-T469 PolarHBondContact O-OG1 2.86Å
466	K	38.8	Very low	40.8	Very low	174 Å²	174	112.6 Å²	112.6	76%	0.757	55%	0.547	S	S	*	.	H	α-helix	trans	-61.1	-26.1	165.7	-80.4	-177.2	175.9	-175.3	0	111.5	K462 L463 V468	K462-K466 WeakPolarHBondContact O-CB 3.31Å; K462-K466 VanDerWaalsContact O-CG 3.31Å; K462-K466 WeakPolarHBondContact O-CG 3.43Å; K462-K466 PolarHBondContact O-N 3.11Å; L463-K466 PolarHBondContact O-N 3.3Å; K466-V468 PolarHBondContact O-N 3.25Å
467	L	35.3	Very low	39.3	Very low	94 Å²	94	116.3 Å²	116.3	49%	0.492	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.6	-12.4	169.3	-74.6	161.9	0	0	0	114	Q153 L463 S464 Q465	Q153-L467 HydrophobicContact CB-CD1 4.28Å; Q153-L467 HydrophobicContact CB-CD2 3.65Å; Q153-L467 HydrophobicContact CG-CD2 4.18Å; L463-L467 WeakPolarHBondContact O-CB 3.35Å; L463-L467 VanDerWaalsContact O-CD1 3.29Å; L463-L467 WeakPolarHBondContact O-CD1 3.33Å; L463-L467 WeakPolarHBondContact O-CG 3.25Å; L463-L467 PolarHBondContact O-N 2.88Å; S464-L467 WeakPolarHBondContact O-CB 3.35Å; Q465-L467 PolarHBondContact O-N 2.86Å
468	V	35.5	Very low	37.4	Very low	94 Å²	94	122.9 Å²	122.9	57%	0.57	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.4	-31.2	178.7	178.8	0	0	0	0	112.4	S464 Q465 K466 R470	S464-V468 WeakPolarHBondContact O-CG2 3.32Å; Q465-V468 CarbonylContact O-C 3.52Å; Q465-V468 PolarHBondContact O-N 3.07Å; K466-V468 PolarHBondContact O-N 3.25Å; V468-R470 PolarHBondContact O-N 3.46Å; V468-R470 VanDerWaalsContact O-N 3.15Å
469	T	23.9	Very low	35.6	Very low	95 Å²	95	125.1 Å²	125.1	58%	0.583	61%	0.612	S	S	*	*			trans	-91.8	77	-173.3	58.4	0	0	0	0	112.9	Q465	Q465-T469 PolarHBondContact O-N 2.95Å; Q465-T469 PolarHBondContact O-OG1 2.86Å
470	R	29.7	Very low	34.1	Very low	239 Å²	239	128.7 Å²	128.7	90%	0.902	64%	0.635	S	S	*	*	S	Bend	trans	-179.7	133.3	139.9	-105.8	179.6	-178.8	-171.6	0.6	112.1	V468	V468-R470 PolarHBondContact O-N 3.46Å; V468-R470 VanDerWaalsContact O-N 3.15Å
471	P	37.4	Very low	32.5	Very low	117 Å²	117	134.5 Å²	134.5	76%	0.76	66%	0.663	S	S	*	*			cis	-114.5	137.7	-41	33.9	-19.9	0	0	0	111.9	N473	P471-N473 PolarHBondContact O-N 2.95Å
472	N	27.6	Very low	31.2	Very low	152 Å²	152	135.1 Å²	135.1	81%	0.813	68%	0.681	S	S	*	*			trans	3.3	97.3	152.5	-61.7	-12.1	0	0	0	116.7
473	N	25.8	Very low	30	Very low	150 Å²	150	134.6 Å²	134.6	80%	0.802	69%	0.692	S	S	*	*			trans	168.1	101.3	134.7	-82.9	-19.4	0	0	0	107.8	P471	P471-N473 PolarHBondContact O-N 2.95Å
474	L	26.2	Very low	28.9	Very low	139 Å²	139	138.4 Å²	138.4	73%	0.728	71%	0.711	S	S	*	*			trans	152.8	78.7	148.3	-103.4	70.3	0	0	0	110.2	Q476	L474-Q476 HydrophobicContact CD2-CB 4.47Å; L474-Q476 HydrophobicContact CG-CB 4.07Å; L474-Q476 HydrophobicContact CG-CG 4.37Å
475	Y	23.4	Very low	28	Very low	214 Å²	214	145.5 Å²	145.5	84%	0.839	74%	0.743	S	S	*	*			trans	-88.6	76.1	131.7	-72.7	-81.6	0	0	0	105.8
476	Q	23.3	Very low	27.2	Very low	151 Å²	151	147.9 Å²	147.9	71%	0.706	75%	0.754	S	S	*	*			trans	-106	89.8	161.2	-83.2	-176.2	-21.8	0	0	107.2	L474 F478	L474-Q476 HydrophobicContact CD2-CB 4.47Å; L474-Q476 HydrophobicContact CG-CB 4.07Å; L474-Q476 HydrophobicContact CG-CG 4.37Å; Q476-F478 PolarHBondContact O-N 3.14Å
477	T	24.3	Very low	26.5	Very low	127 Å²	127	149.1 Å²	149.1	78%	0.779	76%	0.76	S	S	*	*			trans	-40.7	120.1	152.7	32.3	0	0	0	0	109.6	K479	T477-K479 PolarHBondContact O-N 3.12Å
478	F	23.8	Very low	25.9	Very low	161 Å²	161	154.8 Å²	154.8	71%	0.706	78%	0.775	S	S	*	*			trans	-36.8	111.4	177.9	-60	-93.1	0	0	0	112.8	Q476	Q476-F478 PolarHBondContact O-N 3.14Å
479	K	23.6	Very low	25.3	Very low	188 Å²	188	157.5 Å²	157.5	82%	0.817	79%	0.786	S	S	*	*			trans	-102.6	107.8	156.6	-84.4	-173.3	175.7	-179	0	107.3	T477 N481	T477-K479 PolarHBondContact O-N 3.12Å; K479-N481 PolarHBondContact O-N 2.87Å
480	L	24.8	Very low	25.3	Very low	165 Å²	165	162.2 Å²	162.2	86%	0.864	80%	0.798	S	S	*	*			trans	-58	105.9	169.5	-82.9	107.9	0	0	0	109.2	G482	L480-G482 VanDerWaalsContact C-N 3.35Å; L480-G482 PolarHBondContact O-N 3.27Å
481	N	24	Very low	25.1	Very low	159 Å²	159	156.1 Å²	156.1	85%	0.85	79%	0.793	S	S	*	*			trans	-81.5	86.6	166.6	-74.8	-19.9	0	0	0	108	K479	K479-N481 PolarHBondContact O-N 2.87Å
482	G	26.3	Very low	24.4	Very low	56 Å²	56	158.5 Å²	158.5	58%	0.577	80%	0.799	S	S	*	*			trans	-64.4	151.8	166.1	0	0	0	0	0	111.2	L480	L480-G482 VanDerWaalsContact C-N 3.35Å; L480-G482 PolarHBondContact O-N 3.27Å
483	P	26.7	Very low	24.2	Very low	125 Å²	125	156.4 Å²	156.4	81%	0.812	80%	0.796	S	S	*	*			trans	-70.4	137.3	-162.9	28.3	-33.2	0	0	0	112	M485	P483-M485 PolarHBondContact O-N 2.92Å
484	I	24.3	Very low	24.3	Very low	171 Å²	171	155.9 Å²	155.9	88%	0.877	80%	0.798	S	S	*	*			trans	-64.7	91.8	177.2	-59.6	164.9	0	0	0	107.9
485	M	24.3	Very low	24.2	Very low	172 Å²	172	155.9 Å²	155.9	85%	0.847	80%	0.804	S	S	*	*			trans	-81.6	123.9	164.5	-90.1	-163.8	70	0	0	109.4	P483 K487	P483-M485 PolarHBondContact O-N 2.92Å; M485-K487 PolarHBondContact O-N 2.88Å
486	E	22.6	Very low	24.3	Very low	163 Å²	163	151 Å²	151	76%	0.762	80%	0.802	S	S	*	*			trans	-49.5	122.9	-179.3	-67.9	175.6	146.7	0	0	112.5	R488	E486-R488 PolarHBondContact O-N 3.23Å; E486-R488 VanDerWaalsContact O-N 3.07Å
487	K	24.2	Very low	24.2	Very low	199 Å²	199	153.8 Å²	153.8	87%	0.865	81%	0.811	S	S	*	*			trans	-65	103.9	168.5	-78.8	178.1	174.5	177.7	0	108.7	M485	M485-K487 PolarHBondContact O-N 2.88Å
488	R	22	Very low	24.4	Very low	214 Å²	214	154.2 Å²	154.2	81%	0.808	81%	0.813	S	S	*	*			trans	-82.4	119.9	159.3	-75.3	-176.9	-175.1	158.9	3.3	108.6	E486 F490	E486-R488 PolarHBondContact O-N 3.23Å; E486-R488 VanDerWaalsContact O-N 3.07Å; R488-F490 PolarHBondContact O-N 2.69Å
489	D	22.3	Very low	24.3	Very low	150 Å²	150	155.8 Å²	155.8	80%	0.802	82%	0.823	S	S	*	*			trans	-60.6	119.1	174.5	-62.1	-52.1	0	0	0	110.4
490	F	26	Very low	24.5	Very low	194 Å²	194	152.6 Å²	152.6	85%	0.851	82%	0.824	S	S	*	*			trans	-127.7	125.6	156.4	-88	-78.9	0	0	0	109.8	R488	R488-F490 PolarHBondContact O-N 2.69Å
491	S	24	Very low	24.6	Very low	112 Å²	112	154.4 Å²	154.4	78%	0.783	83%	0.825	S	S	*	*			trans	-66.3	142.5	-167.6	38.1	0	0	0	0	113.6
492	N	22.3	Very low	24.5	Very low	166 Å²	166	157 Å²	157	89%	0.888	83%	0.829	S	S	*	*			trans	-51.8	132.3	168.8	-64.3	-42.8	0	0	0	112.2
493	S	25.3	Very low	24.5	Very low	109 Å²	109	161.6 Å²	161.6	76%	0.762	84%	0.839	S	S	*	*			trans	-152	116	143.2	56	0	0	0	0	112.9
494	V	27	Very low	24.8	Very low	139 Å²	139	161.2 Å²	161.2	84%	0.842	84%	0.836	S	S	*	*			trans	63.8	99.6	140.8	-167.7	0	0	0	0	118.7
495	T	23	Very low	24.9	Very low	138 Å²	138	161 Å²	161	85%	0.847	84%	0.835	S	S	*	*			trans	-67.1	131.6	159	36.5	0	0	0	0	112.4
496	S	25.5	Very low	25.2	Very low	113 Å²	113	158.1 Å²	158.1	79%	0.79	83%	0.829	S	S	*	*			trans	-108.5	121.5	161.2	52.7	0	0	0	0	109.7
497	K	22.6	Very low	25.6	Very low	209 Å²	209	156 Å²	156	91%	0.909	83%	0.833	S	S	*	*			trans	-69.6	121.9	176	-74.7	170.6	173.8	172	0	109.6
498	V	27.3	Very low	25.9	Very low	135 Å²	135	154.3 Å²	154.3	82%	0.818	83%	0.832	S	S	*	*			trans	-122.8	125.3	160.4	178.8	0	0	0	0	109.2
499	Q	22.8	Very low	26.5	Very low	195 Å²	195	149.7 Å²	149.7	91%	0.911	83%	0.83	S	S	*	*			trans	-67	134	-179.8	-65.9	163	-15.4	0	0	110.6
500	S	26.9	Very low	27.3	Very low	121 Å²	121	149.3 Å²	149.3	85%	0.846	83%	0.833	S	S	*	*			trans	-126.7	127.2	164.6	56	0	0	0	0	110.6
501	K	26.5	Very low	27.9	Very low	202 Å²	202	151.3 Å²	151.3	88%	0.878	84%	0.835	S	S	*	*			trans	-71.6	140.7	-173.9	-75.8	171.4	171.7	174.8	0	111.4
502	K	22.5	Very low	28.6	Very low	215 Å²	215	149.7 Å²	149.7	94%	0.935	82%	0.822	S	S	*	*			trans	-62.9	128.2	169.6	-74.3	175.9	172.6	179.5	0	110.8
503	I	27.5	Very low	29.7	Very low	152 Å²	152	144.5 Å²	144.5	78%	0.779	80%	0.798	S	S	*	*			trans	-127.2	138.7	164.7	-61.4	176.2	0	0	0	106.9
504	P	31.2	Very low	30.5	Very low	116 Å²	116	146.9 Å²	146.9	75%	0.753	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-82.5	142.3	-162.1	-2.1	21.3	0	0	0	112.9
505	I	28.1	Very low	31.6	Very low	166 Å²	166	148 Å²	148	85%	0.851	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-77.8	122.2	-177.7	-59	165.9	0	0	0	109.5
506	P	29.5	Very low	33.7	Very low	113 Å²	113	144.6 Å²	144.6	73%	0.734	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-75.3	138.9	170.6	-6.2	23.3	0	0	0	110.6	L508	P506-L508 PolarHBondContact O-N 2.72Å
507	S	30.7	Very low	34.8	Very low	119 Å²	119	143.3 Å²	143.3	83%	0.832	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-52.8	127.1	-179	47.1	0	0	0	0	113.5
508	L	30.4	Very low	36.3	Very low	162 Å²	162	137.1 Å²	137.1	85%	0.848	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-62.8	139.3	178.4	-155	75.3	0	0	0	111.3	P506 T510	P506-L508 PolarHBondContact O-N 2.72Å; L508-T510 PolarHBondContact O-N 2.84Å
509	P	34.9	Very low	37.8	Very low	118 Å²	118	136 Å²	136	77%	0.766	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-70.3	131.2	-179.1	-9.9	25.1	0	0	0	111	R511	P509-R511 PolarHBondContact O-N 3.48Å
510	T	38.9	Very low	39.9	Very low	141 Å²	141	131.3 Å²	131.3	87%	0.865	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-56.9	127.7	177.8	-10.4	0	0	0	0	110.7	L508	L508-T510 PolarHBondContact O-N 2.84Å
511	R	38.5	Very low	40.8	Very low	236 Å²	236	130.3 Å²	130.3	89%	0.891	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-56.4	128.3	177.2	-157.5	176.8	-172.4	179.5	0.8	109.2	P509	P509-R511 PolarHBondContact O-N 3.48Å
512	P	39	Very low	41.9	Very low	79 Å²	79	128.9 Å²	128.9	51%	0.513	68%	0.675	S	S	.	*	P	Polyproline II helix	trans	-64.5	139	-177.8	23.7	-31	0	0	0	110.5	D516	P512-D516 HydrophobicContact CB-CB 3.95Å
513	S	44.7	Very low	43.5	Very low	56 Å²	56	124.3 Å²	124.3	39%	0.392	66%	0.655	S	S	.	*	P	Polyproline II helix	trans	-72.9	160.3	-178.1	71.1	0	0	0	0	110.8	Q515 D516 I517	S513-Q515 PolarHBondContact O-N 3.18Å; S513-Q515 VanDerWaalsContact O-N 3.11Å; S513-D516 PolarHBondContact N-OD2 3.15Å; S513-D516 WeakPolarHBondContact O-CA 3.33Å; S513-D516 WeakPolarHBondContact O-CB 3.35Å; S513-D516 PolarHBondContact O-N 3.21Å; S513-D516 PolarHBondContact OG-OD2 2.68Å; S513-I517 PolarHBondContact O-N 3.09Å
514	E	43	Very low	44.5	Very low	160 Å²	160	123.6 Å²	123.6	75%	0.748	65%	0.649	S	S	*	*	H	α-helix	trans	-57.4	-27.6	-179.7	-165.1	175.4	-176.5	0	0	113	I517 C518	E514-I517 PolarHBondContact O-N 3.12Å; E514-C518 PolarHBondContact O-N 2.84Å; E514-C518 PolarHBondContact O-SG 3.47Å
515	Q	51	Low	45	Very low	161 Å²	161	124.1 Å²	124.1	75%	0.752	65%	0.645	S	S	*	*	H	α-helix	trans	-67.3	-40.3	172.6	-74.1	178.2	-19.8	0	0	112.1	S513 I517 C518 E519	S513-Q515 PolarHBondContact O-N 3.18Å; S513-Q515 VanDerWaalsContact O-N 3.11Å; Q515-I517 VanDerWaalsContact C-N 3.32Å; Q515-I517 PolarHBondContact O-N 3.18Å; Q515-C518 PolarHBondContact O-N 2.83Å; Q515-E519 PolarHBondContact O-N 2.87Å
516	D	66	Low	45.7	Very low	68 Å²	68	121.8 Å²	121.8	36%	0.364	63%	0.63	S	S	.	*	H	α-helix	trans	-64.3	-39.7	176.4	-57	-52.7	0	0	0	110.8	P512 S513 E519 I520	P512-D516 HydrophobicContact CB-CB 3.95Å; S513-D516 PolarHBondContact N-OD2 3.15Å; S513-D516 WeakPolarHBondContact O-CA 3.33Å; S513-D516 WeakPolarHBondContact O-CB 3.35Å; S513-D516 PolarHBondContact O-N 3.21Å; S513-D516 PolarHBondContact OG-OD2 2.68Å; D516-E519 PolarHBondContact O-N 2.82Å; D516-I520 WeakPolarHBondContact O-CB 3.46Å; D516-I520 WeakPolarHBondContact O-CD1 3.46Å; D516-I520 WeakPolarHBondContact O-CG1 3.28Å; D516-I520 PolarHBondContact O-N 2.82Å
517	I	49.2	Very low	46.3	Very low	86 Å²	86	125 Å²	125	44%	0.441	63%	0.633	S	S	.	*	H	α-helix	trans	-64.4	-43.6	176.9	-60.4	174	0	0	0	110.5	S513 E514 Q515 E519 I520 L521	S513-I517 PolarHBondContact O-N 3.09Å; E514-I517 PolarHBondContact O-N 3.12Å; Q515-I517 VanDerWaalsContact C-N 3.32Å; Q515-I517 PolarHBondContact O-N 3.18Å; I517-E519 VanDerWaalsContact C-N 3.32Å; I517-E519 PolarHBondContact O-N 3.29Å; I517-I520 PolarHBondContact O-N 2.78Å; I517-L521 HydrophobicContact CG2-CD1 4.18Å; I517-L521 WeakPolarHBondContact O-CG 3.14Å; I517-L521 PolarHBondContact O-N 2.78Å
518	C	52.7	Low	46.6	Very low	78 Å²	78	128.1 Å²	128.1	53%	0.527	63%	0.631	S	S	.	*	H	α-helix	trans	-63.9	-38.4	176.2	-71.5	0	0	0	0	111.9	E514 Q515 R522	E514-C518 PolarHBondContact O-N 2.84Å; E514-C518 PolarHBondContact O-SG 3.47Å; Q515-C518 PolarHBondContact O-N 2.83Å; C518-R522 WeakPolarHBondContact O-CB 3.05Å; C518-R522 PolarHBondContact O-N 2.68Å
519	E	60.7	Low	46.7	Very low	111 Å²	111	128.4 Å²	128.4	52%	0.519	63%	0.626	S	S	.	*	H	α-helix	trans	-70.5	-38.1	177.9	-144.2	-169.4	170.9	0	0	112.1	Q515 D516 I517 R522 K523	Q515-E519 PolarHBondContact O-N 2.87Å; D516-E519 PolarHBondContact O-N 2.82Å; I517-E519 VanDerWaalsContact C-N 3.32Å; I517-E519 PolarHBondContact O-N 3.29Å; E519-R522 PolarHBondContact O-N 2.98Å; E519-K523 PolarHBondContact O-N 2.82Å; E519-K523 IonicContact OE1-NZ 3.11Å
520	I	66.2	Low	46.7	Very low	98 Å²	98	129.8 Å²	129.8	50%	0.503	63%	0.627	S	S	.	*	H	α-helix	trans	-61.3	-47.1	173.4	-69.9	162.8	0	0	0	110.5	D516 I517 R522 K523 Q524	D516-I520 WeakPolarHBondContact O-CB 3.46Å; D516-I520 WeakPolarHBondContact O-CD1 3.46Å; D516-I520 WeakPolarHBondContact O-CG1 3.28Å; D516-I520 PolarHBondContact O-N 2.82Å; I517-I520 PolarHBondContact O-N 2.78Å; I520-R522 VanDerWaalsContact C-N 3.31Å; I520-R522 PolarHBondContact O-N 3.26Å; I520-K523 PolarHBondContact O-N 2.66Å; I520-Q524 PolarHBondContact O-N 3.41Å
521	L	45.6	Very low	46.3	Very low	99 Å²	99	130.6 Å²	130.6	52%	0.518	63%	0.626	S	S	.	*	H	α-helix	trans	-65.1	-36.7	178.2	-71.6	173.2	0	0	0	111.8	I517 Q524 L525	I517-L521 HydrophobicContact CG2-CD1 4.18Å; I517-L521 WeakPolarHBondContact O-CG 3.14Å; I517-L521 PolarHBondContact O-N 2.78Å; L521-Q524 PolarHBondContact O-N 3.37Å; L521-L525 PolarHBondContact O-N 3.15Å; L521-L525 VanDerWaalsContact O-N 3.08Å
522	R	48.8	Very low	45.9	Very low	173 Å²	173	128.2 Å²	128.2	65%	0.653	62%	0.622	S	S	*	*	H	α-helix	trans	-67	-43.1	176.2	-159.6	178	-175.8	118.8	-0.2	111.7	C518 E519 I520 Q524 L525 E526	C518-R522 WeakPolarHBondContact O-CB 3.05Å; C518-R522 PolarHBondContact O-N 2.68Å; E519-R522 PolarHBondContact O-N 2.98Å; I520-R522 VanDerWaalsContact C-N 3.31Å; I520-R522 PolarHBondContact O-N 3.26Å; R522-Q524 PolarHBondContact O-N 2.84Å; R522-L525 PolarHBondContact O-N 3.02Å; R522-E526 PolarHBondContact O-N 2.95Å
523	K	56.2	Low	45.4	Very low	118 Å²	118	132 Å²	132	51%	0.513	64%	0.638	S	S	.	*	H	α-helix	trans	-64.1	-37.9	174.8	-79.3	179.7	177.6	166	0	112.5	E519 I520 L525 E526 F527	E519-K523 PolarHBondContact O-N 2.82Å; E519-K523 IonicContact OE1-NZ 3.11Å; I520-K523 PolarHBondContact O-N 2.66Å; K523-L525 VanDerWaalsContact C-N 3.32Å; K523-L525 PolarHBondContact O-N 3.46Å; K523-E526 PolarHBondContact O-N 3.27Å; K523-F527 PolarHBondContact O-N 3.3Å
524	Q	49.4	Very low	44.6	Very low	138 Å²	138	137.3 Å²	137.3	65%	0.645	66%	0.661	S	S	*	*	H	α-helix	trans	-68.9	-29.6	175.4	-74.6	-150.5	-21.3	0	0	113.4	I520 L521 R522	I520-Q524 PolarHBondContact O-N 3.41Å; L521-Q524 PolarHBondContact O-N 3.37Å; R522-Q524 PolarHBondContact O-N 2.84Å
525	L	40.7	Very low	43.9	Very low	127 Å²	127	135.4 Å²	135.4	67%	0.665	67%	0.666	S	S	*	*	H	α-helix	trans	-77.5	-31.7	174	-78.7	162.8	0	0	0	112.7	L521 R522 K523 K528	L521-L525 PolarHBondContact O-N 3.15Å; L521-L525 VanDerWaalsContact O-N 3.08Å; R522-L525 PolarHBondContact O-N 3.02Å; K523-L525 VanDerWaalsContact C-N 3.32Å; K523-L525 PolarHBondContact O-N 3.46Å; L525-K528 PolarHBondContact O-N 3.3Å
526	E	42.6	Very low	42.6	Very low	116 Å²	116	135.5 Å²	135.5	54%	0.542	67%	0.67	S	S	.	*	H	α-helix	trans	-71.2	-35.2	173.5	-76.7	177.4	-179.4	0	0	112.1	R522 K523 K528 K529	R522-E526 PolarHBondContact O-N 2.95Å; K523-E526 PolarHBondContact O-N 3.27Å; E526-K528 PolarHBondContact O-N 3.03Å; E526-K529 PolarHBondContact O-N 3.48Å
527	F	42.3	Very low	40.7	Very low	182 Å²	182	138.3 Å²	138.3	80%	0.798	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-14.9	174.3	-103.1	-81.3	0	0	0	114.4	K523	K523-F527 PolarHBondContact O-N 3.3Å
528	K	36.9	Very low	39.5	Very low	183 Å²	183	139.1 Å²	139.1	80%	0.796	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-3.1	173.5	-91.7	-174.6	175.7	179.6	0	114.5	L525 E526	L525-K528 PolarHBondContact O-N 3.3Å; E526-K528 PolarHBondContact O-N 3.03Å
529	K	34.1	Very low	38.1	Very low	169 Å²	169	143.1 Å²	143.1	74%	0.735	72%	0.716	S	S	*	*	S	Bend	trans	-93.6	-11.8	-177.6	-111.3	179.4	179.8	178.2	0	115.8	E526	E526-K529 PolarHBondContact O-N 3.48Å
530	D	33.5	Very low	36.4	Very low	146 Å²	146	149.5 Å²	149.5	78%	0.781	74%	0.737	S	S	*	*	S	Bend	trans	-96.6	6.5	-175.4	-73.7	-13.3	0	0	0	115.5	K532	D530-K532 VanDerWaalsContact C-N 3.35Å; D530-K532 PolarHBondContact O-N 3.45Å
531	N	31.4	Very low	34.4	Very low	159 Å²	159	153.2 Å²	153.2	85%	0.85	75%	0.752	S	S	*	*			trans	-95.1	65.3	167.4	-76.8	-10.5	0	0	0	110.8
532	K	29.3	Very low	33.4	Very low	185 Å²	185	155.6 Å²	155.6	80%	0.804	76%	0.761	S	S	*	*			trans	-110.5	82.5	163.4	-86.6	-172.7	174.3	-177	0	108.4	D530	D530-K532 VanDerWaalsContact C-N 3.35Å; D530-K532 PolarHBondContact O-N 3.45Å
533	D	29.2	Very low	32.4	Very low	158 Å²	158	155.2 Å²	155.2	85%	0.845	77%	0.772	S	S	*	*			trans	-160.3	71.7	160	-89	-30.7	0	0	0	108.7
534	L	28.7	Very low	30.9	Very low	168 Å²	168	155.3 Å²	155.3	88%	0.88	78%	0.778	S	S	*	*			trans	-138.4	96.1	157.7	-102.9	110.6	0	0	0	108.4	L536	L534-L536 PolarHBondContact O-N 2.87Å
535	S	27	Very low	29.8	Very low	121 Å²	121	156.1 Å²	156.1	85%	0.846	79%	0.786	S	S	*	*			trans	-56.5	113.1	170.4	48.4	0	0	0	0	110.7
536	L	25	Very low	29.1	Very low	163 Å²	163	156.1 Å²	156.1	85%	0.853	79%	0.792	S	S	*	*			trans	-73.1	132.6	167	-113.9	86.4	0	0	0	109.4	L534 S538	L534-L536 PolarHBondContact O-N 2.87Å; L536-S538 PolarHBondContact O-N 3.3Å
537	P	25.8	Very low	28.5	Very low	126 Å²	126	157.2 Å²	157.2	82%	0.818	80%	0.801	S	S	*	*			trans	-75.6	119.1	177.8	10.2	1.3	0	0	0	110.8	H539	P537-H539 PolarHBondContact O-N 3.17Å
538	S	23.6	Very low	27.8	Very low	103 Å²	103	158.4 Å²	158.4	72%	0.72	81%	0.807	S	S	*	*			trans	-69.8	111.3	166.4	51.3	0	0	0	0	110.2	L536	L536-S538 PolarHBondContact O-N 3.3Å
539	H	23.5	Very low	27.3	Very low	162 Å²	162	158.5 Å²	158.5	75%	0.75	81%	0.807	S	S	*	*			trans	-173.7	89.9	151.2	-97.9	-64.1	0	0	0	109.4	P537	P537-H539 PolarHBondContact O-N 3.17Å
540	Y	24.5	Very low	27.2	Very low	246 Å²	246	156 Å²	156	97%	0.965	81%	0.808	S	S	*	*			trans	-149.5	96.9	143.6	-84.8	-69.5	0	0	0	106.7
541	Q	25.1	Very low	27.1	Very low	176 Å²	176	154.1 Å²	154.1	82%	0.822	81%	0.807	S	S	*	*			trans	-78	139.4	-179.6	-136	167.7	-3.3	0	0	109.2
542	E	24.8	Very low	27.2	Very low	149 Å²	149	151.9 Å²	151.9	70%	0.696	80%	0.802	S	S	*	*			trans	-51.4	130	-178	-64.9	163.8	131.3	0	0	113.6
543	N	26.1	Very low	27.8	Very low	164 Å²	164	153.2 Å²	153.2	88%	0.877	80%	0.804	S	S	*	*			trans	-101.9	95.4	149.1	-84.6	-13.7	0	0	0	107.5	D545	N543-D545 PolarHBondContact O-N 2.89Å
544	N	25.1	Very low	28.6	Very low	120 Å²	120	152.2 Å²	152.2	64%	0.642	80%	0.798	S	S	*	*			trans	-75.4	95.9	171.7	-85.2	-36.6	0	0	0	109.6
545	D	27.1	Very low	30	Very low	155 Å²	155	146.2 Å²	146.2	83%	0.829	77%	0.769	S	S	*	*			trans	-105.8	94.8	158.3	-83.8	-33.9	0	0	0	109.3	N543 N547	N543-D545 PolarHBondContact O-N 2.89Å; D545-N547 PolarHBondContact O-N 3.25Å; D545-N547 VanDerWaalsContact O-N 3.08Å
546	T	26.2	Very low	32.2	Very low	128 Å²	128	145.6 Å²	145.6	79%	0.785	76%	0.76	S	S	*	*			trans	-54.5	99.9	171.3	29	0	0	0	0	112
547	N	30	Very low	34.7	Very low	138 Å²	138	140.9 Å²	140.9	74%	0.738	73%	0.731	S	S	*	*			trans	-112.7	110.9	154.9	-87.1	-31.9	0	0	0	109.1	D545 F549	D545-N547 PolarHBondContact O-N 3.25Å; D545-N547 VanDerWaalsContact O-N 3.08Å; N547-F549 PolarHBondContact O-N 3.33Å
548	K	26.1	Very low	37.5	Very low	208 Å²	208	140.7 Å²	140.7	90%	0.904	72%	0.72	S	S	*	*			trans	-57.6	94	178.8	-71.6	173.2	175.1	175.5	0	110.6
549	F	28.2	Very low	40.4	Very low	185 Å²	185	139.9 Å²	139.9	81%	0.811	71%	0.712	S	S	*	*			trans	-87	134.1	157.3	-79.2	-82.6	0	0	0	108.7	N547 S551	N547-F549 PolarHBondContact O-N 3.33Å; F549-S551 PolarHBondContact O-N 3.31Å
550	P	31.2	Very low	43.1	Very low	115 Å²	115	135.2 Å²	135.2	75%	0.747	69%	0.692	S	S	*	*			trans	-63.2	136.7	-175.8	27.4	-31.9	0	0	0	109.2	C552	P550-C552 PolarHBondContact O-N 3.32Å
551	S	31.7	Very low	45.6	Very low	108 Å²	108	124.8 Å²	124.8	76%	0.755	66%	0.655	S	S	*	*			trans	-42.8	113.4	-178.1	53.9	0	0	0	0	111.1	F549 Y553	F549-S551 PolarHBondContact O-N 3.31Å; S551-Y553 PolarHBondContact O-N 2.89Å
552	C	33.9	Very low	47.7	Very low	111 Å²	111	119.5 Å²	119.5	75%	0.75	64%	0.636	S	S	*	*			trans	-53.1	114	173	-149	0	0	0	0	107.5	P550 N554	P550-C552 PolarHBondContact O-N 3.32Å; C552-N554 VanDerWaalsContact C-N 3.34Å; C552-N554 PolarHBondContact O-N 2.93Å
553	Y	40.6	Very low	49.2	Very low	214 Å²	214	122.7 Å²	122.7	84%	0.839	65%	0.648	S	S	*	*			trans	-57.8	103.8	168.5	-113	-96.6	0	0	0	105.6	S551 P555	S551-Y553 PolarHBondContact O-N 2.89Å; Y553-P555 WeakPolarHBondContact O-CD 3.45Å
554	N	47.2	Very low	50.3	Low	136 Å²	136	121 Å²	121	73%	0.727	64%	0.637	S	S	*	*			trans	-81.5	98.8	169.4	-86.8	-16.8	0	0	0	106.2	C552 T556	C552-N554 VanDerWaalsContact C-N 3.34Å; C552-N554 PolarHBondContact O-N 2.93Å; N554-T556 PolarHBondContact O-N 3.47Å; N554-T556 VanDerWaalsContact O-N 3.08Å
555	P	57.4	Low	51.2	Low	43 Å²	43	119 Å²	119	28%	0.279	63%	0.627	S	S	.	*			trans	-57.8	123.1	175.5	26	-34.6	0	0	0	107.9	T273 Y553 W557	T273-P555 HydrophobicContact CG2-CB 3.81Å; T273-P555 HydrophobicContact CG2-CG 4.4Å; Y553-P555 WeakPolarHBondContact O-CD 3.45Å; P555-W557 PolarHBondContact O-N 3.34Å
556	T	73.4	Confident	51.7	Low	107 Å²	107	119 Å²	119	66%	0.656	62%	0.621	S	S	*	*			trans	-70.4	100.9	179.9	-51.9	0	0	0	0	108.1	N554 Q558	N554-T556 PolarHBondContact O-N 3.47Å; N554-T556 VanDerWaalsContact O-N 3.08Å; T556-Q558 HydrophobicContact CG2-CG 4.43Å; T556-Q558 PolarHBondContact O-N 2.83Å
557	W	78	Confident	52.3	Low	65 Å²	65	121.1 Å²	121.1	25%	0.246	62%	0.622	C	S	.	*			trans	-68.2	120.5	176.1	-73.1	86.6	0	0	0	109.8	L256 V260 L262 T273 P555	L256-W557 HydrophobicContact CB-CH2 4.04Å; L256-W557 HydrophobicContact CB-CZ2 3.44Å; L256-W557 VanDerWaalsContact CB-CZ2 3.44Å; L256-W557 HydrophobicContact CD1-CH2 3.75Å; L256-W557 HydrophobicContact CD1-CZ2 3.49Å; L256-W557 VanDerWaalsContact CD1-CZ2 3.49Å; L256-W557 HydrophobicContact CG-CH2 4.48Å; L256-W557 HydrophobicContact CG-CZ2 4.11Å; V260-W557 HydrophobicContact CB-CH2 4.22Å; V260-W557 WeakPolarHBondContact O-CH2 3.24Å; V260-W557 VanDerWaalsContact O-CZ3 3.27Å; V260-W557 WeakPolarHBondContact O-CZ3 3.27Å; L262-W557 HydrophobicContact CB-CE3 4.44Å; L262-W557 HydrophobicContact CB-CZ3 3.95Å; T273-W557 HydrophobicContact CG2-CD2 3.47Å; T273-W557 VanDerWaalsContact CG2-CD2 3.47Å; T273-W557 VanDerWaalsContact CG2-CE2 3.49Å; T273-W557 HydrophobicContact CG2-CE3 3.71Å; T273-W557 HydrophobicContact CG2-CG 3.92Å; T273-W557 HydrophobicContact CG2-CH2 3.98Å; T273-W557 HydrophobicContact CG2-CZ2 3.72Å; T273-W557 HydrophobicContact CG2-CZ3 3.99Å; P555-W557 PolarHBondContact O-N 3.34Å
558	Q	83.5	Confident	52.7	Low	122 Å²	122	118 Å²	118	57%	0.57	61%	0.605	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114	142.4	-179.9	-66.9	-177.7	-6.6	0	0	110.4	Y271 G272 T556 L560	Y271-Q558 WeakPolarHBondContact CA-O 3.41Å; G272-Q558 PolarHBondContact N-O 2.88Å; G272-Q558 PolarHBondContact O-N 2.88Å; T556-Q558 HydrophobicContact CG2-CG 4.43Å; T556-Q558 PolarHBondContact O-N 2.83Å; Q558-L560 PolarHBondContact O-N 2.94Å
559	P	84.8	Confident	53.3	Low	86 Å²	86	113 Å²	113	56%	0.558	58%	0.581	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-66.4	122.5	171.2	28.5	-32.6	0	0	0	109.3	V269 V270	V269-P559 HydrophobicContact CG1-CB 4.07Å; V270-P559 CarbonylContact O-C 3.57Å
560	L	81	Confident	53.8	Low	64 Å²	64	111.2 Å²	111.2	34%	0.335	58%	0.579	S	S	.	*			trans	-89.9	-11.3	173.6	-65.1	174.8	0	0	0	112.3	V181 R261 V270 Q558	V181-L560 HydrophobicContact CG1-CB 4.3Å; R261-L560 VanDerWaalsContact CZ-CD1 3.45Å; V270-L560 PolarHBondContact O-N 2.94Å; Q558-L560 PolarHBondContact O-N 2.94Å
561	S	76.3	Confident	54.2	Low	26 Å²	26	108.3 Å²	108.3	18%	0.182	56%	0.562	C	S	.	*	S	Bend	trans	-53.4	128.9	176.3	-64	0	0	0	0	110.5	N178 V269 V270 K563	N178-S561 PolarHBondContact ND2-OG 3.16Å; N178-S561 WeakPolarHBondContact OD1-CA 3.17Å; N178-S561 VanDerWaalsContact OD1-CB 3.29Å; N178-S561 WeakPolarHBondContact OD1-CB 3.3Å; N178-S561 PolarHBondContact OD1-OG 3.46Å; V269-S561 WeakPolarHBondContact CA-OG 3.31Å; V270-S561 PolarHBondContact N-OG 3.05Å; S561-K563 PolarHBondContact O-N 3.49Å
562	P	69.7	Low	54.9	Low	66 Å²	66	105.4 Å²	105.4	43%	0.429	54%	0.536	S	S	.	.			trans	-52	135.4	178.4	-26.7	33.7	0	0	0	111.4	I564	P562-I564 PolarHBondContact O-N 3.42Å
563	K	55	Low	55.4	Low	216 Å²	216	105.3 Å²	105.3	94%	0.939	52%	0.52	S	S	*	.			trans	-73.1	69.1	172.7	-66.8	-176.9	-179.4	179	0	109.7	S561	S561-K563 PolarHBondContact O-N 3.49Å
564	I	50.2	Low	55.6	Low	127 Å²	127	99.7 Å²	99.7	65%	0.651	51%	0.508	S	S	*	.			trans	-129.1	124.7	174.1	-65.3	178.4	0	0	0	108.3	P562	P562-I564 PolarHBondContact O-N 3.42Å
565	D	42.9	Very low	55.4	Low	80 Å²	80	98.5 Å²	98.5	43%	0.428	50%	0.502	S	S	.	.			trans	57.6	80	161.8	-55	-30.3	0	0	0	119.5	E567 L568 R569	D565-E567 PolarHBondContact O-N 3.12Å; D565-L568 HydrophobicContact CB-CB 3.57Å; D565-L568 HydrophobicContact CB-CD1 3.64Å; D565-L568 HydrophobicContact CB-CG 4.19Å; D565-L568 VanDerWaalsContact CG-CD1 3.48Å; D565-L568 PolarHBondContact O-N 2.86Å; D565-L568 WeakPolarHBondContact OD2-CD1 3.4Å; D565-R569 WeakPolarHBondContact O-CB 3.38Å; D565-R569 PolarHBondContact O-N 3.4Å
566	H	38.6	Very low	54.9	Low	153 Å²	153	98.2 Å²	98.2	71%	0.708	50%	0.495	S	S	*	.	H	α-helix	trans	-52.8	-28.2	153.9	-85.4	-72.8	0	0	0	112.6
567	E	38.2	Very low	53.8	Low	173 Å²	173	94 Å²	94	81%	0.808	47%	0.47	S	S	*	.	H	α-helix	trans	-73.9	-37.3	176.6	-68	-169	164.1	0	0	113.3	D565 S571	D565-E567 PolarHBondContact O-N 3.12Å; E567-S571 PolarHBondContact O-OG 3.41Å; E567-S571 VanDerWaalsContact O-OG 3.13Å
568	L	38.3	Very low	52.4	Low	73 Å²	73	91.2 Å²	91.2	38%	0.382	46%	0.46	S	S	.	.	H	α-helix	trans	-77.2	-37	173.5	-88.7	128.1	0	0	0	111.5	D565 N570 S571 E572	D565-L568 HydrophobicContact CB-CB 3.57Å; D565-L568 HydrophobicContact CB-CD1 3.64Å; D565-L568 HydrophobicContact CB-CG 4.19Å; D565-L568 VanDerWaalsContact CG-CD1 3.48Å; D565-L568 PolarHBondContact O-N 2.86Å; D565-L568 WeakPolarHBondContact OD2-CD1 3.4Å; L568-N570 PolarHBondContact O-N 3.22Å; L568-S571 WeakPolarHBondContact CA-OG 3.49Å; L568-S571 CarbonylContact O-C 3.34Å; L568-S571 PolarHBondContact O-N 2.86Å; L568-S571 PolarHBondContact O-OG 3.34Å; L568-E572 HydrophobicContact CB-CG 4Å; L568-E572 WeakPolarHBondContact CB-OE2 3.4Å; L568-E572 VanDerWaalsContact CD2-CD 3.45Å; L568-E572 HydrophobicContact CD2-CG 3.73Å; L568-E572 WeakPolarHBondContact CD2-OE1 3.26Å; L568-E572 HydrophobicContact CG-CG 4.44Å; L568-E572 WeakPolarHBondContact O-CB 3.49Å; L568-E572 WeakPolarHBondContact O-CG 3.25Å; L568-E572 PolarHBondContact O-N 3.32Å
569	R	40.2	Very low	50.4	Low	104 Å²	104	89.9 Å²	89.9	39%	0.392	46%	0.456	S	S	.	.	H	α-helix	trans	-55.5	-33.8	-179.7	-152.8	179.2	-169.6	-159.1	8	113.7	H267 D268 D565	H267-R569 PolarHBondContact O-NH2 3.49Å; D268-R569 PolarHBondContact O-NH2 3Å; D565-R569 WeakPolarHBondContact O-CB 3.38Å; D565-R569 PolarHBondContact O-N 3.4Å
570	N	38.2	Very low	48.5	Very low	146 Å²	146	89.1 Å²	89.1	78%	0.781	45%	0.45	S	S	*	.	H	α-helix	trans	-83.1	-25.8	177.3	-73.3	-11.5	0	0	0	113.8	L568	L568-N570 PolarHBondContact O-N 3.22Å
571	S	38.6	Very low	46.8	Very low	55 Å²	55	87.6 Å²	87.6	39%	0.385	45%	0.445	S	S	.	.	H	α-helix	trans	-94.2	-12.5	178.3	56	0	0	0	0	113.4	E567 L568 N575	E567-S571 PolarHBondContact O-OG 3.41Å; E567-S571 VanDerWaalsContact O-OG 3.13Å; L568-S571 WeakPolarHBondContact CA-OG 3.49Å; L568-S571 CarbonylContact O-C 3.34Å; L568-S571 PolarHBondContact O-N 2.86Å; L568-S571 PolarHBondContact O-OG 3.34Å; S571-N575 PolarHBondContact O-ND2 2.97Å
572	E	47.2	Very low	45.1	Very low	46 Å²	46	89.6 Å²	89.6	22%	0.215	45%	0.453	C	S	.	.	H	α-helix	trans	-96.8	-31.8	-166.7	-81	-179.9	124.1	0	0	116.3	L568 T574 N575 R576	L568-E572 HydrophobicContact CB-CG 4Å; L568-E572 WeakPolarHBondContact CB-OE2 3.4Å; L568-E572 VanDerWaalsContact CD2-CD 3.45Å; L568-E572 HydrophobicContact CD2-CG 3.73Å; L568-E572 WeakPolarHBondContact CD2-OE1 3.26Å; L568-E572 HydrophobicContact CG-CG 4.44Å; L568-E572 WeakPolarHBondContact O-CB 3.49Å; L568-E572 WeakPolarHBondContact O-CG 3.25Å; L568-E572 PolarHBondContact O-N 3.32Å; E572-T574 VanDerWaalsContact C-N 3.27Å; E572-T574 PolarHBondContact O-N 3.04Å; E572-N575 CarbonylContact O-C 3.42Å; E572-N575 PolarHBondContact O-N 3.34Å; E572-N575 VanDerWaalsContact O-N 3.14Å; E572-R576 HydrophobicContact CB-CG 4.22Å; E572-R576 VanDerWaalsContact CD-CZ 3.42Å; E572-R576 WeakPolarHBondContact O-CB 3.38Å; E572-R576 WeakPolarHBondContact O-CG 3.23Å; E572-R576 PolarHBondContact O-N 3.21Å; E572-R576 IonicContact OE1-CZ 3.38Å; E572-R576 IonicContact OE1-NE 2.8Å; E572-R576 PolarHBondContact OE1-NE 3.22Å; E572-R576 IonicContact OE1-NH2 2.75Å; E572-R576 PolarHBondContact OE1-NH2 3.3Å; E572-R576 IonicContact OE2-CZ 3Å; E572-R576 IonicContact OE2-NE 3.72Å; E572-R576 IonicContact OE2-NH1 3.47Å; E572-R576 IonicContact OE2-NH2 3.67Å; E572-R576 PolarHBondContact OE2-NH2 2.83Å
573	R	45	Very low	43.4	Very low	110 Å²	110	91.1 Å²	91.1	42%	0.415	46%	0.457	S	S	.	.	H	α-helix	trans	-63.3	-37.7	-173	-156	179.3	-167.6	166.4	10.9	111.9	L265 D266	L265-R573 PolarHBondContact O-NH2 3.29Å; D266-R573 PolarHBondContact O-NH1 2.72Å; D266-R573 PolarHBondContact O-NH2 2.89Å
574	T	43.6	Very low	42.8	Very low	95 Å²	95	85.3 Å²	85.3	58%	0.583	44%	0.443	S	S	*	.	H	α-helix	trans	-72.1	-37.7	174.6	47.7	0	0	0	0	112.5	E572	E572-T574 VanDerWaalsContact C-N 3.27Å; E572-T574 PolarHBondContact O-N 3.04Å
575	N	43.1	Very low	42.4	Very low	111 Å²	111	85 Å²	85	59%	0.594	44%	0.439	S	S	*	.	H	α-helix	trans	-79.9	-18.5	179	-73.4	-28.6	0	0	0	114.3	S571 E572	S571-N575 PolarHBondContact O-ND2 2.97Å; E572-N575 CarbonylContact O-C 3.42Å; E572-N575 PolarHBondContact O-N 3.34Å; E572-N575 VanDerWaalsContact O-N 3.14Å
576	R	47	Very low	41.7	Very low	37 Å²	37	85.8 Å²	85.8	14%	0.14	44%	0.443	C	S	.	.	H	α-helix	trans	-83.4	-23.9	176.2	-76	173.5	179.4	171.8	0.7	112.3	Y171 N172 S175 D268 E572 L578	Y171-R576 WeakPolarHBondContact CE1-O 3.13Å; N172-R576 PolarHBondContact OD1-O 2.85Å; N172-R576 VanDerWaalsContact OD1-O 3.12Å; S175-R576 VanDerWaalsContact CA-NH1 3.27Å; D268-R576 IonicContact OD2-NH1 3.73Å; E572-R576 HydrophobicContact CB-CG 4.22Å; E572-R576 VanDerWaalsContact CD-CZ 3.42Å; E572-R576 WeakPolarHBondContact O-CB 3.38Å; E572-R576 WeakPolarHBondContact O-CG 3.23Å; E572-R576 PolarHBondContact O-N 3.21Å; E572-R576 IonicContact OE1-CZ 3.38Å; E572-R576 IonicContact OE1-NE 2.8Å; E572-R576 PolarHBondContact OE1-NE 3.22Å; E572-R576 IonicContact OE1-NH2 2.75Å; E572-R576 PolarHBondContact OE1-NH2 3.3Å; E572-R576 IonicContact OE2-CZ 3Å; E572-R576 IonicContact OE2-NE 3.72Å; E572-R576 IonicContact OE2-NH1 3.47Å; E572-R576 IonicContact OE2-NH2 3.67Å; E572-R576 PolarHBondContact OE2-NH2 2.83Å; R576-L578 PolarHBondContact O-N 3.07Å
577	S	50.5	Low	41.2	Very low	18 Å²	18	83.4 Å²	83.4	13%	0.126	44%	0.441	C	S	.	.			trans	-67.2	98.8	-179.5	179.1	0	0	0	0	110.2	N172 L579 T580 S581	N172-S577 VanDerWaalsContact OD1-CA 3.3Å; N172-S577 WeakPolarHBondContact OD1-CA 3.49Å; S577-L579 PolarHBondContact O-N 3.26Å; S577-L579 VanDerWaalsContact O-N 3.14Å; S577-T580 WeakPolarHBondContact CB-OG1 3.32Å; S577-T580 PolarHBondContact O-N 3.02Å; S577-T580 PolarHBondContact OG-N 3.34Å; S577-T580 PolarHBondContact OG-OG1 3.15Å; S577-S581 PolarHBondContact O-N 3.37Å
578	L	49.1	Very low	40.9	Very low	7 Å²	7	82.5 Å²	82.5	4%	0.037	44%	0.442	C	S	.	.	H	α-helix	trans	-53	-35.4	170.7	-168.8	94.1	0	0	0	109.5	L168 N172 I299 I303 A313 R576 S581 I582	L168-L578 HydrophobicContact CD1-CD2 3.75Å; L168-L578 HydrophobicContact CD2-CD2 3.75Å; L168-L578 HydrophobicContact CG-CD2 4.37Å; N172-L578 PolarHBondContact OD1-N 3.41Å; I299-L578 HydrophobicContact CG2-CD1 3.46Å; I299-L578 VanDerWaalsContact CG2-CD1 3.46Å; I303-L578 HydrophobicContact CD1-CD1 3.94Å; I303-L578 HydrophobicContact CG1-CD1 4.25Å; A313-L578 HydrophobicContact CB-CD1 4.28Å; A313-L578 HydrophobicContact CB-CD2 4.26Å; R576-L578 PolarHBondContact O-N 3.07Å; L578-S581 PolarHBondContact O-N 2.77Å; L578-I582 HydrophobicContact CD2-CD1 3.52Å; L578-I582 HydrophobicContact CG-CD1 3.76Å; L578-I582 HydrophobicContact CG-CG1 4.37Å; L578-I582 WeakPolarHBondContact O-CB 3.4Å; L578-I582 WeakPolarHBondContact O-CD1 3.49Å; L578-I582 WeakPolarHBondContact O-CG1 3.38Å; L578-I582 PolarHBondContact O-N 2.77Å
579	L	41.5	Very low	40.3	Very low	95 Å²	95	86.7 Å²	86.7	50%	0.497	46%	0.457	S	S	.	.	H	α-helix	trans	-65.7	-39.2	178.5	-155.8	152.4	0	0	0	111.4	S577 I582 L583	S577-L579 PolarHBondContact O-N 3.26Å; S577-L579 VanDerWaalsContact O-N 3.14Å; L579-I582 PolarHBondContact O-N 2.84Å; L579-L583 HydrophobicContact CD2-CD1 3.29Å; L579-L583 HydrophobicContact CD2-CG 3.66Å; L579-L583 VanDerWaalsContact O-CB 3.28Å; L579-L583 WeakPolarHBondContact O-CB 3.47Å; L579-L583 VanDerWaalsContact O-CG 3.27Å; L579-L583 WeakPolarHBondContact O-CG 3.3Å; L579-L583 PolarHBondContact O-N 3.14Å
580	T	44.4	Very low	39.8	Very low	70 Å²	70	86.3 Å²	86.3	43%	0.429	47%	0.467	S	S	.	.	H	α-helix	trans	-68.4	-38.7	175.6	-51.2	0	0	0	0	110.8	S577 S584	S577-T580 WeakPolarHBondContact CB-OG1 3.32Å; S577-T580 PolarHBondContact O-N 3.02Å; S577-T580 PolarHBondContact OG-N 3.34Å; S577-T580 PolarHBondContact OG-OG1 3.15Å; T580-S584 WeakPolarHBondContact O-CB 3.49Å; T580-S584 PolarHBondContact O-N 2.91Å; T580-S584 PolarHBondContact O-OG 3.17Å; T580-S584 VanDerWaalsContact O-OG 3.05Å
581	S	45	Very low	39.5	Very low	32 Å²	32	83.6 Å²	83.6	22%	0.224	46%	0.464	C	S	.	.	H	α-helix	trans	-65.8	-37.6	172.1	-57.3	0	0	0	0	113	S577 L578 S584	S577-S581 PolarHBondContact O-N 3.37Å; L578-S581 PolarHBondContact O-N 2.77Å; S581-S584 PolarHBondContact O-OG 2.89Å
582	I	40.3	Very low	39.3	Very low	68 Å²	68	87.2 Å²	87.2	35%	0.349	48%	0.479	S	S	.	.	H	α-helix	trans	-70	-44.6	176.4	-70.8	163.8	0	0	0	110.7	L578 L579 E585	L578-I582 HydrophobicContact CD2-CD1 3.52Å; L578-I582 HydrophobicContact CG-CD1 3.76Å; L578-I582 HydrophobicContact CG-CG1 4.37Å; L578-I582 WeakPolarHBondContact O-CB 3.4Å; L578-I582 WeakPolarHBondContact O-CD1 3.49Å; L578-I582 WeakPolarHBondContact O-CG1 3.38Å; L578-I582 PolarHBondContact O-N 2.77Å; L579-I582 PolarHBondContact O-N 2.84Å; I582-E585 PolarHBondContact O-N 3.42Å
583	L	35.7	Very low	38.4	Very low	97 Å²	97	93 Å²	93	51%	0.508	50%	0.504	S	S	.	.	H	α-helix	trans	-72.4	-32.8	-177.8	-73.1	-174.3	0	0	0	112.8	L579 E585 L586	L579-L583 HydrophobicContact CD2-CD1 3.29Å; L579-L583 HydrophobicContact CD2-CG 3.66Å; L579-L583 VanDerWaalsContact O-CB 3.28Å; L579-L583 WeakPolarHBondContact O-CB 3.47Å; L579-L583 VanDerWaalsContact O-CG 3.27Å; L579-L583 WeakPolarHBondContact O-CG 3.3Å; L579-L583 PolarHBondContact O-N 3.14Å; L583-E585 PolarHBondContact O-N 2.86Å; L583-E585 VanDerWaalsContact O-N 3.12Å; L583-L586 HydrophobicContact CD2-CD1 3.63Å; L583-L586 PolarHBondContact O-N 3.25Å
584	S	41	Very low	37.6	Very low	94 Å²	94	97.4 Å²	97.4	66%	0.657	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-13.4	173.8	57.8	0	0	0	0	113.5	T580 S581	T580-S584 WeakPolarHBondContact O-CB 3.49Å; T580-S584 PolarHBondContact O-N 2.91Å; T580-S584 PolarHBondContact O-OG 3.17Å; T580-S584 VanDerWaalsContact O-OG 3.05Å; S581-S584 PolarHBondContact O-OG 2.89Å
585	E	42.3	Very low	36.9	Very low	121 Å²	121	98.3 Å²	98.3	57%	0.565	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-4.2	179.8	-66.8	-166.8	175.3	0	0	113.8	I582 L583 P587	I582-E585 PolarHBondContact O-N 3.42Å; L583-E585 PolarHBondContact O-N 2.86Å; L583-E585 VanDerWaalsContact O-N 3.12Å; E585-P587 WeakPolarHBondContact O-CD 3.5Å
586	L	28.2	Very low	36.3	Very low	97 Å²	97	98 Å²	98	51%	0.508	54%	0.536	S	S	.	.	S	Bend	trans	-68.6	119.7	166.4	-76.4	171.2	0	0	0	107.2	L583 D588	L583-L586 HydrophobicContact CD2-CD1 3.63Å; L583-L586 PolarHBondContact O-N 3.25Å; L586-D588 PolarHBondContact O-N 2.93Å
587	P	27.6	Very low	35.5	Very low	103 Å²	103	106.1 Å²	106.1	67%	0.669	57%	0.572	S	S	*	*			trans	-56.3	129.9	-179.8	21.1	-30	0	0	0	108.5	E585 F589	E585-P587 WeakPolarHBondContact O-CD 3.5Å; P587-F589 PolarHBondContact O-N 3.48Å
588	D	31.3	Very low	34.7	Very low	154 Å²	154	111.2 Å²	111.2	82%	0.824	60%	0.603	S	S	*	*			trans	-44.6	110	173.6	-74	-37.9	0	0	0	107.5	L586 T590	L586-D588 PolarHBondContact O-N 2.93Å; D588-T590 PolarHBondContact O-N 3.27Å
589	F	27.2	Very low	33.7	Very low	161 Å²	161	116.2 Å²	116.2	71%	0.706	64%	0.639	S	S	*	*			trans	-63.9	94.6	172.5	-79.3	-86.3	0	0	0	105.9	P587 A591 F593	P587-F589 PolarHBondContact O-N 3.48Å; F589-A591 PolarHBondContact O-N 3.35Å; F589-F593 HydrophobicContact CD1-CD2 4.25Å; F589-F593 HydrophobicContact CD1-CE2 4.06Å; F589-F593 HydrophobicContact CE1-CE2 4.3Å
590	T	28.3	Very low	33.3	Very low	96 Å²	96	123.5 Å²	123.5	59%	0.589	66%	0.66	S	S	*	*			trans	-57.2	131.1	168.1	51.4	0	0	0	0	106.1	D588 D592	D588-T590 PolarHBondContact O-N 3.27Å; T590-D592 PolarHBondContact O-N 3.27Å
591	A	33.5	Very low	32.4	Very low	88 Å²	88	125.7 Å²	125.7	73%	0.727	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-66.7	23.9	-173.9	0	0	0	0	0	114	F589 F593	F589-A591 PolarHBondContact O-N 3.35Å; A591-F593 VanDerWaalsContact C-N 3.26Å; A591-F593 PolarHBondContact O-N 3.49Å
592	D	33.1	Very low	31.8	Very low	132 Å²	132	132 Å²	132	71%	0.706	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-87.3	7.4	178.1	-59.2	-30.1	0	0	0	112.2	T590 Y594	T590-D592 PolarHBondContact O-N 3.27Å; D592-Y594 PolarHBondContact O-N 3.28Å; D592-Y594 VanDerWaalsContact O-N 3.12Å
593	F	29.7	Very low	31.1	Very low	166 Å²	166	135.6 Å²	135.6	73%	0.728	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-68.2	1.1	168.5	-99.8	-81.2	0	0	0	114.1	F589 A591 P595	F589-F593 HydrophobicContact CD1-CD2 4.25Å; F589-F593 HydrophobicContact CD1-CE2 4.06Å; F589-F593 HydrophobicContact CE1-CE2 4.3Å; A591-F593 VanDerWaalsContact C-N 3.26Å; A591-F593 PolarHBondContact O-N 3.49Å; F593-P595 WeakPolarHBondContact O-CD 3.39Å
594	Y	26.8	Very low	30.7	Very low	203 Å²	203	136.1 Å²	136.1	80%	0.796	74%	0.735	S	S	*	*	S	Bend	trans	-97.4	103	160.7	-72.4	-81.8	0	0	0	109.1	D592 S596	D592-Y594 PolarHBondContact O-N 3.28Å; D592-Y594 VanDerWaalsContact O-N 3.12Å; Y594-S596 PolarHBondContact O-N 3.46Å
595	P	28.9	Very low	30.1	Very low	114 Å²	114	140.5 Å²	140.5	74%	0.74	75%	0.746	S	S	*	*			trans	-66.2	103.8	175	26.1	-30.2	0	0	0	108.3	F593 K597	F593-P595 WeakPolarHBondContact O-CD 3.39Å; P595-K597 PolarHBondContact O-N 2.99Å
596	S	30.7	Very low	29.3	Very low	106 Å²	106	141.2 Å²	141.2	74%	0.741	76%	0.758	S	S	*	*			trans	-58.8	102.8	167.4	55	0	0	0	0	107.9	Y594 T598	Y594-S596 PolarHBondContact O-N 3.46Å; S596-T598 PolarHBondContact O-N 3.34Å
597	K	30.9	Very low	29.2	Very low	206 Å²	206	142.4 Å²	142.4	90%	0.896	78%	0.775	S	S	*	*			trans	-60	95.7	172.4	-75.5	178.9	177.3	175	0	109.3	P595	P595-K597 PolarHBondContact O-N 2.99Å
598	T	32.5	Very low	29	Very low	126 Å²	126	144.5 Å²	144.5	77%	0.773	78%	0.779	S	S	*	*			trans	-131.4	81.7	152.5	46.4	0	0	0	0	108.2	S596 R600	S596-T598 PolarHBondContact O-N 3.34Å; T598-R600 PolarHBondContact O-N 2.85Å
599	S	29.3	Very low	28.6	Very low	112 Å²	112	148.1 Å²	148.1	78%	0.783	78%	0.781	S	S	*	*			trans	-60.9	112.7	167.2	53	0	0	0	0	109.9
600	R	31.8	Very low	28.7	Very low	247 Å²	247	148.5 Å²	148.5	93%	0.932	79%	0.791	S	S	*	*			trans	-120.2	89.8	149.8	-82	-170.6	178.4	-174.5	1.1	107.4	T598	T598-R600 PolarHBondContact O-N 2.85Å
601	V	27.1	Very low	28.5	Very low	116 Å²	116	154.3 Å²	154.3	70%	0.703	80%	0.802	S	S	*	*			trans	-77.2	119.5	159.6	175.2	0	0	0	0	106
602	N	30.6	Very low	28.3	Very low	166 Å²	166	155.6 Å²	155.6	89%	0.888	81%	0.806	S	S	*	*			trans	-136.2	117.1	153.9	-106.2	1.7	0	0	0	106.9
603	D	27	Very low	28	Very low	143 Å²	143	156.7 Å²	156.7	77%	0.765	81%	0.806	S	S	*	*			trans	-56.5	144.6	176.3	-67.3	-54	0	0	0	112.3
604	S	26.9	Very low	28	Very low	107 Å²	107	156.4 Å²	156.4	75%	0.748	81%	0.813	S	S	*	*				-177.1	136	120	36.6	0	0	0	0	112.2
605	Q	29.4	Very low	27.9	Very low	187 Å²	187	152.4 Å²	152.4	87%	0.874	81%	0.809	S	S	*	*			trans	80.8	74.4	152.8	-65.3	175.8	9.4	0	0	118.1	S607	Q605-S607 PolarHBondContact O-N 2.81Å
606	V	24.3	Very low	28	Very low	135 Å²	135	156 Å²	156	82%	0.818	81%	0.813	S	S	*	*			trans	-69.1	105.4	147.6	177	0	0	0	0	108.5	L608	V606-L608 HydrophobicContact CG1-CD1 4.03Å; V606-L608 HydrophobicContact CG1-CG 3.93Å
607	S	27	Very low	27.7	Very low	123 Å²	123	158.2 Å²	158.2	86%	0.86	82%	0.816	S	S	*	*			trans	-106.8	107.9	163.7	-172.6	0	0	0	0	108.5	Q605	Q605-S607 PolarHBondContact O-N 2.81Å
608	L	23.3	Very low	27.6	Very low	147 Å²	147	157.7 Å²	157.7	77%	0.77	81%	0.814	S	S	*	*			trans	-96.3	142	176.3	-81.5	164.1	0	0	0	110.2	V606	V606-L608 HydrophobicContact CG1-CD1 4.03Å; V606-L608 HydrophobicContact CG1-CG 3.93Å
609	R	23	Very low	28	Very low	230 Å²	230	157.2 Å²	157.2	87%	0.868	81%	0.813	S	S	*	*			trans	81	116	165.5	-71.9	177.8	166.1	172.6	-3.6	117.3
610	N	28.6	Very low	28.8	Very low	168 Å²	168	156.9 Å²	156.9	90%	0.898	81%	0.808	S	S	*	*				-148.6	129.6	103.8	-92.8	-26.7	0	0	0	111.5
611	R	23.5	Very low	28.5	Very low	219 Å²	219	152.3 Å²	152.3	83%	0.826	80%	0.802	S	S	*	*			trans	-101.1	105.4	-177.1	-170.2	-172.4	-157.7	-173.2	6.1	106.3
612	S	30.2	Very low	28.8	Very low	115 Å²	115	158.4 Å²	158.4	80%	0.804	81%	0.812	S	S	*	*			trans	-98.7	108.1	165	41.7	0	0	0	0	108.4
613	Q	25.9	Very low	28.6	Very low	154 Å²	154	162.1 Å²	162.1	72%	0.72	81%	0.814	S	S	*	*			trans	-79.5	124.8	160.1	-72.1	177.8	-25.5	0	0	106.5
614	D	30.8	Very low	28.6	Very low	161 Å²	161	161.3 Å²	161.3	86%	0.861	82%	0.818	S	S	*	*			trans	-142.1	141.7	157.2	-111.5	-30.6	0	0	0	111.4
615	T	25.2	Very low	28.6	Very low	118 Å²	118	163.7 Å²	163.7	72%	0.724	82%	0.822	S	S	*	*			trans	-96.2	146.9	-164	38.9	0	0	0	0	110.9
616	K	29.4	Very low	28.8	Very low	190 Å²	190	160.5 Å²	160.5	83%	0.826	82%	0.821	S	S	*	*				158.9	114.8	129.8	-86.8	167.7	179.5	177.1	0	114.2
617	L	25.5	Very low	29.1	Very low	152 Å²	152	159.7 Å²	159.7	80%	0.796	82%	0.821	S	S	*	*				39.5	112.6	128.2	-68.9	155.6	0	0	0	121.9
618	K	29.3	Very low	29.3	Very low	195 Å²	195	163.7 Å²	163.7	85%	0.848	82%	0.823	S	S	*	*				54.1	160.6	125.3	-97.8	-176.7	-176.2	-178.9	0	120.7
619	P	40.7	Very low	29.5	Very low	116 Å²	116	168.7 Å²	168.7	75%	0.753	83%	0.832	S	S	*	*			cis	-138.6	-144.3	-1.8	44.9	-21.3	0	0	0	113.3
620	P	45	Very low	29.6	Very low	106 Å²	106	166.3 Å²	166.3	69%	0.688	83%	0.833	S	S	*	*				-130.4	-172.7	-122.4	36.3	-10.8	0	0	0	117.4
621	N	26	Very low	29.5	Very low	150 Å²	150	161.3 Å²	161.3	80%	0.802	82%	0.821	S	S	*	*			trans	74.2	110.4	157.2	-76.6	-14.5	0	0	0	120.5
622	R	33.2	Very low	29.6	Very low	245 Å²	245	156.7 Å²	156.7	93%	0.925	82%	0.821	S	S	*	*				-149.3	114	129.8	-73.9	-160	176.3	174.3	-2	111.3
623	R	25.4	Very low	29.2	Very low	244 Å²	244	161.8 Å²	161.8	92%	0.921	82%	0.824	S	S	*	*			trans	-65.3	124	163.1	-82.9	175.4	169.5	168.3	-4.1	108.6
624	C	28.3	Very low	29.2	Very low	125 Å²	125	160.3 Å²	160.3	85%	0.845	83%	0.825	S	S	*	*			trans	-101.2	108.3	167.5	-103.1	0	0	0	0	109.3	S626	C624-S626 PolarHBondContact O-N 3.22Å
625	N	26.3	Very low	28.8	Very low	158 Å²	158	161.2 Å²	161.2	85%	0.845	82%	0.824	S	S	*	*			trans	-78.1	107.9	163.6	-76.8	-19.7	0	0	0	107.6
626	S	33.9	Very low	28.8	Very low	120 Å²	120	160.3 Å²	160.3	84%	0.839	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-94.4	119.7	169.2	51.5	0	0	0	0	110.1	C624	C624-S626 PolarHBondContact O-N 3.22Å
627	S	31.6	Very low	28.8	Very low	118 Å²	118	157.2 Å²	157.2	83%	0.825	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-62.6	144.1	-172.9	-66.6	0	0	0	0	114.2	R629	S627-R629 PolarHBondContact O-N 2.89Å
628	K	31.1	Very low	29	Very low	207 Å²	207	159.2 Å²	159.2	90%	0.9	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-50.3	118.8	171	-66	171.3	176.9	177.1	0	111	M630	K628-M630 PolarHBondContact O-N 3.01Å
629	R	26.8	Very low	28.9	Very low	252 Å²	252	159.2 Å²	159.2	95%	0.951	83%	0.827	S	S	*	*			trans	-76.6	103.8	171.4	-165.6	174.4	-173.2	174.8	1.1	108.5	S627 G631	S627-R629 PolarHBondContact O-N 2.89Å; R629-G631 PolarHBondContact O-N 3.35Å
630	M	25.4	Very low	28.1	Very low	180 Å²	180	157.6 Å²	157.6	89%	0.887	82%	0.823	S	S	*	*			trans	-70	109.2	173.9	-161.6	86.8	83.1	0	0	108.6	K628	K628-M630 PolarHBondContact O-N 3.01Å
631	G	26.8	Very low	27.2	Very low	63 Å²	63	162 Å²	162	65%	0.649	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-84.3	121.8	171.7	0	0	0	0	0	109.6	R629 Y633	R629-G631 PolarHBondContact O-N 3.35Å; G631-Y633 PolarHBondContact O-N 3.42Å
632	C	24.2	Very low	27.1	Very low	122 Å²	122	162.2 Å²	162.2	82%	0.824	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-64.3	127.3	-179.7	-68.3	0	0	0	0	111.2
633	Y	23	Very low	26.7	Very low	221 Å²	221	157.9 Å²	157.9	87%	0.867	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-75.3	123.4	163.8	-89.5	-99.2	0	0	0	108.4	G631	G631-Y633 PolarHBondContact O-N 3.42Å
634	V	25.9	Very low	26.5	Very low	123 Å²	123	157.5 Å²	157.5	75%	0.745	82%	0.822	S	S	*	*			trans	-98	97.6	165.6	178.2	0	0	0	0	106.3	S636	V634-S636 PolarHBondContact O-N 3.07Å
635	E	22	Very low	26.2	Very low	181 Å²	181	156.8 Å²	156.8	85%	0.846	81%	0.813	S	S	*	*			trans	-64.7	112.5	167.3	-77.6	176.4	162.8	0	0	108.2
636	S	25.3	Very low	26	Very low	99 Å²	99	154 Å²	154	69%	0.692	81%	0.806	S	S	*	*			trans	-88.3	128.1	171.7	-54	0	0	0	0	107.6	V634 E638	V634-S636 PolarHBondContact O-N 3.07Å; S636-E638 PolarHBondContact O-N 3.4Å
637	P	29.8	Very low	25.6	Very low	124 Å²	124	157 Å²	157	81%	0.805	80%	0.804	S	S	*	*			trans	-73.6	129.4	-167.2	28.4	-32.6	0	0	0	111.5	K639	P637-K639 PolarHBondContact O-N 3.06Å
638	E	27.8	Very low	25.3	Very low	195 Å²	195	158.7 Å²	158.7	91%	0.911	80%	0.804	S	S	*	*			trans	-55.5	110.8	176.4	-63.6	174.4	154	0	0	111	S636 A640	S636-E638 PolarHBondContact O-N 3.4Å; E638-A640 PolarHBondContact O-N 3.22Å
639	K	28.5	Very low	25.1	Very low	195 Å²	195	153.9 Å²	153.9	85%	0.848	80%	0.797	S	S	*	*			trans	-82.7	104.3	160.8	-82.3	-175.3	176.9	178.8	0	108.3	P637 F641	P637-K639 PolarHBondContact O-N 3.06Å; K639-F641 PolarHBondContact O-N 2.84Å
640	A	24.6	Very low	25	Very low	82 Å²	82	149.8 Å²	149.8	68%	0.678	79%	0.788	S	S	*	*			trans	-56.4	110.1	174.6	0	0	0	0	0	111.7	E638	E638-A640 PolarHBondContact O-N 3.22Å
641	F	25.8	Very low	25.3	Very low	198 Å²	198	146.4 Å²	146.4	87%	0.868	78%	0.779	S	S	*	*			trans	-91.7	93.2	161	-81.3	-85.3	0	0	0	108.3	K639 N643	K639-F641 PolarHBondContact O-N 2.84Å; F641-N643 PolarHBondContact O-N 2.87Å
642	H	22.4	Very low	25.4	Very low	155 Å²	155	149.3 Å²	149.3	72%	0.718	79%	0.787	S	S	*	*			trans	-71.9	112.2	162.9	-80.4	-85	0	0	0	108.3
643	N	24.6	Very low	25.5	Very low	153 Å²	153	150.3 Å²	150.3	82%	0.818	79%	0.79	S	S	*	*			trans	-162.4	75	153.5	-89.2	-21.9	0	0	0	108	F641 V645	F641-N643 PolarHBondContact O-N 2.87Å; N643-V645 PolarHBondContact O-N 2.76Å
644	W	22.1	Very low	25.7	Very low	237 Å²	237	145.7 Å²	145.7	90%	0.898	79%	0.788	S	S	*	*			trans	-76.6	106.2	166.7	-80.6	65.4	0	0	0	108
645	V	22.2	Very low	25.8	Very low	110 Å²	110	145 Å²	145	67%	0.667	79%	0.788	S	S	*	*			trans	-91.3	96.4	163.9	-179.5	0	0	0	0	106.4	N643 F647	N643-V645 PolarHBondContact O-N 2.76Å; V645-F647 HydrophobicContact CB-CE2 4.44Å; V645-F647 HydrophobicContact CG1-CD2 4.15Å; V645-F647 HydrophobicContact CG1-CE2 3.75Å; V645-F647 HydrophobicContact CG1-CZ 4.14Å; V645-F647 PolarHBondContact O-N 3.13Å
646	S	22.5	Very low	25.9	Very low	98 Å²	98	141.5 Å²	141.5	69%	0.685	78%	0.784	S	S	*	*			trans	-69.6	120.1	166.7	-78.4	0	0	0	0	108.6
647	F	25.9	Very low	26	Very low	184 Å²	184	145.3 Å²	145.3	81%	0.807	79%	0.791	S	S	*	*			trans	-87.8	113.9	168.2	-79	-89.3	0	0	0	108.2	V645 S649	V645-F647 HydrophobicContact CB-CE2 4.44Å; V645-F647 HydrophobicContact CG1-CD2 4.15Å; V645-F647 HydrophobicContact CG1-CE2 3.75Å; V645-F647 HydrophobicContact CG1-CZ 4.14Å; V645-F647 PolarHBondContact O-N 3.13Å; F647-S649 PolarHBondContact O-N 2.9Å; F647-S649 VanDerWaalsContact O-N 3.15Å
648	D	25.4	Very low	26	Very low	153 Å²	153	146.4 Å²	146.4	82%	0.818	79%	0.79	S	S	*	*			trans	-61.6	113.8	172.4	-85.4	-34.5	0	0	0	110	H650	D648-H650 PolarHBondContact O-N 3.29Å; D648-H650 VanDerWaalsContact O-N 3.17Å
649	S	25.9	Very low	25.9	Very low	107 Å²	107	145.1 Å²	145.1	75%	0.748	79%	0.789	S	S	*	*			trans	-79.7	84.1	174.1	51	0	0	0	0	109.9	F647	F647-S649 PolarHBondContact O-N 2.9Å; F647-S649 VanDerWaalsContact O-N 3.15Å
650	H	25.6	Very low	25.9	Very low	165 Å²	165	142.5 Å²	142.5	76%	0.764	78%	0.782	S	S	*	*			trans	-123.2	114.2	159.6	-76.6	-62.5	0	0	0	109.5	D648	D648-H650 PolarHBondContact O-N 3.29Å; D648-H650 VanDerWaalsContact O-N 3.17Å
651	P	30.2	Very low	25.9	Very low	109 Å²	109	144.4 Å²	144.4	71%	0.708	78%	0.781	S	S	*	*			trans	-70.1	137	-179.3	28.4	-31.2	0	0	0	109.4	T653	P651-T653 PolarHBondContact O-N 3.04Å; P651-T653 VanDerWaalsContact O-N 3.14Å
652	P	30.1	Very low	25.9	Very low	125 Å²	125	142.5 Å²	142.5	81%	0.812	78%	0.779	S	S	*	*			trans	-68.7	115.5	179.9	27.3	-31	0	0	0	109.3	C654	P652-C654 PolarHBondContact O-N 3.02Å
653	T	26.2	Very low	26.1	Very low	143 Å²	143	141 Å²	141	88%	0.877	78%	0.781	S	S	*	*			trans	-66.4	93.4	166.7	47.5	0	0	0	0	108.5	P651	P651-T653 PolarHBondContact O-N 3.04Å; P651-T653 VanDerWaalsContact O-N 3.14Å
654	C	26.4	Very low	26.2	Very low	123 Å²	123	137 Å²	137	83%	0.831	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-93.3	116.8	170.1	-149.1	0	0	0	0	108.5	P652	P652-C654 PolarHBondContact O-N 3.02Å
655	S	27.8	Very low	26.3	Very low	108 Å²	108	131.7 Å²	131.7	76%	0.755	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-56.9	136.4	-178.9	46.1	0	0	0	0	112.5	E657	S655-E657 PolarHBondContact O-N 3.47Å
656	S	25.2	Very low	26.6	Very low	108 Å²	108	131.1 Å²	131.1	76%	0.755	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-51.4	121.4	165.3	52	0	0	0	0	111.6
657	E	27	Very low	26.7	Very low	179 Å²	179	132.1 Å²	132.1	84%	0.836	78%	0.783	S	S	*	*			trans	-178.1	147	141.3	-101.2	167.4	-156.6	0	0	108.7	S655	S655-E657 PolarHBondContact O-N 3.47Å
658	N	29.2	Very low	26.9	Very low	148 Å²	148	132.3 Å²	132.3	79%	0.791	78%	0.784	S	S	*	*			trans	86.8	57.2	-171	-50.7	-31.3	0	0	0	115.3	I660	N658-I660 PolarHBondContact O-N 3.07Å; N658-I660 VanDerWaalsContact O-N 3.16Å
659	L	26.9	Very low	26.9	Very low	168 Å²	168	130.1 Å²	130.1	88%	0.88	78%	0.781	S	S	*	*			trans	-63.6	100.8	154.7	-151.1	92.7	0	0	0	108	D661	L659-D661 PolarHBondContact O-N 2.89Å
660	I	28.1	Very low	27.1	Very low	139 Å²	139	130.9 Å²	130.9	71%	0.713	78%	0.783	S	S	*	*			trans	-87.6	102.6	169.5	-59.8	175.2	0	0	0	106.7	N658 L662	N658-I660 PolarHBondContact O-N 3.07Å; N658-I660 VanDerWaalsContact O-N 3.16Å; I660-L662 HydrophobicContact CG2-CG 4.14Å; I660-L662 PolarHBondContact O-N 2.92Å
661	D	25.2	Very low	27.3	Very low	123 Å²	123	128.3 Å²	128.3	66%	0.658	78%	0.784	S	S	*	*			trans	-74	104.4	179.5	-154.9	3.8	0	0	0	109.6	L659	L659-D661 PolarHBondContact O-N 2.89Å
662	L	26.3	Very low	27.2	Very low	158 Å²	158	128.6 Å²	128.6	83%	0.827	78%	0.783	S	S	*	*			trans	-106.1	32.9	179.9	-78.1	171.2	0	0	0	112.4	I660 G664	I660-L662 HydrophobicContact CG2-CG 4.14Å; I660-L662 PolarHBondContact O-N 2.92Å; L662-G664 PolarHBondContact O-N 3.14Å
663	T	24.7	Very low	27.1	Very low	123 Å²	123	131.9 Å²	131.9	76%	0.755	79%	0.785	S	S	*	*			trans	-82.3	68.7	166.7	62.2	0	0	0	0	110.5
664	G	26.8	Very low	27.2	Very low	70 Å²	70	134.1 Å²	134.1	72%	0.722	78%	0.779	S	S	*	*			trans	-111.9	81.4	171.8	0	0	0	0	0	110.3	L662 S666	L662-G664 PolarHBondContact O-N 3.14Å; G664-S666 PolarHBondContact O-N 3.5Å
665	S	24.4	Very low	27.5	Very low	124 Å²	124	132 Å²	132	87%	0.867	76%	0.764	S	S	*	*			trans	-60.2	120.9	173.8	53.8	0	0	0	0	111.7
666	S	28.3	Very low	27.9	Very low	99 Å²	99	133.8 Å²	133.8	69%	0.692	76%	0.758	S	S	*	*			trans	-138.8	102.3	153.8	-178.5	0	0	0	0	108.2	G664 K668	G664-S666 PolarHBondContact O-N 3.5Å; S666-K668 PolarHBondContact O-N 3.21Å; S666-K668 VanDerWaalsContact O-N 3.09Å
667	S	26.1	Very low	28.1	Very low	119 Å²	119	132.9 Å²	132.9	83%	0.832	75%	0.752	S	S	*	*			trans	-53.7	105.2	168.9	51.5	0	0	0	0	110.6
668	K	28.7	Very low	28.2	Very low	187 Å²	187	132 Å²	132	81%	0.813	75%	0.753	S	S	*	*			trans	-120.4	114.3	156.4	-76.8	-173.7	177.8	179.5	0	107.6	S666	S666-K668 PolarHBondContact O-N 3.21Å; S666-K668 VanDerWaalsContact O-N 3.09Å
669	S	26.3	Very low	28.2	Very low	108 Å²	108	131.4 Å²	131.4	76%	0.755	75%	0.749	S	S	*	*			trans	-50.6	145.8	174.7	40.9	0	0	0	0	111.1	S671	S669-S671 PolarHBondContact O-N 3.5Å; S669-S671 VanDerWaalsContact O-N 3.11Å
670	P	29.5	Very low	28.3	Very low	122 Å²	122	128.3 Å²	128.3	79%	0.792	74%	0.742	S	S	*	*			trans	-70.7	111.6	-173.2	28.5	-31.4	0	0	0	109.1	T672	P670-T672 PolarHBondContact O-N 3.06Å; P670-T672 VanDerWaalsContact O-N 3.12Å
671	S	29.1	Very low	28.3	Very low	112 Å²	112	129.8 Å²	129.8	78%	0.783	75%	0.749	S	S	*	*			trans	-63.2	111.8	167.8	53.1	0	0	0	0	108.6	S669 F673	S669-S671 PolarHBondContact O-N 3.5Å; S669-S671 VanDerWaalsContact O-N 3.11Å; S671-F673 PolarHBondContact O-N 3.36Å
672	T	29.6	Very low	28.3	Very low	115 Å²	115	128.2 Å²	128.2	71%	0.706	75%	0.748	S	S	*	*			trans	-47.9	115.6	175.4	-42.7	0	0	0	0	110.6	P670 Y674	P670-T672 PolarHBondContact O-N 3.06Å; P670-T672 VanDerWaalsContact O-N 3.12Å; T672-Y674 HydrophobicContact CG2-CD2 4.32Å; T672-Y674 HydrophobicContact CG2-CE2 4.36Å; T672-Y674 PolarHBondContact O-N 3.41Å
673	F	28.5	Very low	28.2	Very low	193 Å²	193	130 Å²	130	85%	0.846	75%	0.749	S	S	*	*			trans	-68.9	107.8	178.6	-148.6	-95.4	0	0	0	108.6	S671 P675	S671-F673 PolarHBondContact O-N 3.36Å; F673-P675 WeakPolarHBondContact O-CD 3.27Å
674	Y	26.5	Very low	28.4	Very low	190 Å²	190	129.3 Å²	129.3	75%	0.745	75%	0.75	S	S	*	*			trans	-103.8	102	175.2	-108.3	-88.9	0	0	0	108.8	T672 F676	T672-Y674 HydrophobicContact CG2-CD2 4.32Å; T672-Y674 HydrophobicContact CG2-CE2 4.36Å; T672-Y674 PolarHBondContact O-N 3.41Å; Y674-F676 PolarHBondContact O-N 2.94Å; Y674-F676 VanDerWaalsContact O-N 3.08Å
675	P	33.4	Very low	28.3	Very low	79 Å²	79	134.4 Å²	134.4	51%	0.513	76%	0.759	S	S	.	*	S	Bend	trans	-80	20.4	-177.6	31.4	-32.6	0	0	0	113.7	F673	F673-P675 WeakPolarHBondContact O-CD 3.27Å
676	F	36.7	Very low	28.3	Very low	146 Å²	146	133.6 Å²	133.6	64%	0.64	75%	0.753	S	S	*	*			trans	-142.7	46.5	-175.9	-57.4	-66.8	0	0	0	112.7	Y674	Y674-F676 PolarHBondContact O-N 2.94Å; Y674-F676 VanDerWaalsContact O-N 3.08Å
677	S	28.5	Very low	28.3	Very low	88 Å²	88	134.9 Å²	134.9	62%	0.615	76%	0.758	S	S	*	*			trans	-79.2	118.6	162.2	55.1	0	0	0	0	109.1	D679	S677-D679 PolarHBondContact O-N 3.47Å
678	D	28.6	Very low	28.3	Very low	162 Å²	162	136.6 Å²	136.6	87%	0.866	76%	0.756	S	S	*	*			trans	-66.8	74.8	174.5	-78.3	-33.8	0	0	0	110.6	S680	D678-S680 PolarHBondContact O-N 3.43Å
679	D	30.3	Very low	28.2	Very low	134 Å²	134	134.3 Å²	134.3	72%	0.717	76%	0.757	S	S	*	*			trans	-86.4	102.1	168.2	-83.1	-23	0	0	0	109.8	S677 I681	S677-D679 PolarHBondContact O-N 3.47Å; D679-I681 PolarHBondContact O-N 2.83Å
680	S	28.3	Very low	28.3	Very low	103 Å²	103	137.8 Å²	137.8	72%	0.72	76%	0.759	S	S	*	*			trans	-47	84.3	171.1	54.2	0	0	0	0	114	D678 S682	D678-S680 PolarHBondContact O-N 3.43Å; S680-S682 PolarHBondContact O-N 3.47Å
681	I	28.9	Very low	28.3	Very low	170 Å²	170	137.8 Å²	137.8	87%	0.872	76%	0.759	S	S	*	*			trans	-80.4	75.4	162	-55.2	176.9	0	0	0	107.6	D679	D679-I681 PolarHBondContact O-N 2.83Å
682	S	25.2	Very low	28.4	Very low	90 Å²	90	138.5 Å²	138.5	63%	0.629	76%	0.758	S	S	*	*			trans	-110	104.3	161	62.6	0	0	0	0	107.4	S680	S680-S682 PolarHBondContact O-N 3.47Å
683	K	24.9	Very low	28.4	Very low	196 Å²	196	142.2 Å²	142.2	85%	0.852	77%	0.768	S	S	*	*			trans	166	143.7	142.5	-91.6	160.1	-174.6	179.8	0	111.2
684	S	27.1	Very low	28.5	Very low	109 Å²	109	137 Å²	137	76%	0.762	75%	0.754	S	S	*	*			trans	80.1	83.9	168.1	74.2	0	0	0	0	116.7
685	L	25.8	Very low	29	Very low	176 Å²	176	134.9 Å²	134.9	92%	0.921	76%	0.756	S	S	*	*			trans	-161.6	67.1	140.3	-98.4	146.1	0	0	0	107.2
686	S	23.4	Very low	29.6	Very low	107 Å²	107	137.5 Å²	137.5	75%	0.748	76%	0.761	S	S	*	*			trans	-112.3	87.4	169.8	59.7	0	0	0	0	108.4
687	T	28.3	Very low	30.1	Very low	127 Å²	127	132 Å²	132	78%	0.779	75%	0.745	S	S	*	*			trans	-125.4	97.4	158.3	24	0	0	0	0	106.9	T689	T687-T689 PolarHBondContact O-N 2.99Å
688	I	26	Very low	31.1	Very low	155 Å²	155	134.1 Å²	134.1	80%	0.795	75%	0.749	S	S	*	*			trans	-68.1	104.1	176.3	-64.7	162.2	0	0	0	107.4
689	T	27.3	Very low	32.3	Very low	138 Å²	138	131.8 Å²	131.8	85%	0.847	74%	0.737	S	S	*	*			trans	-96.3	113.4	157.9	20.5	0	0	0	0	107.7	T687	T687-T689 PolarHBondContact O-N 2.99Å
690	K	28.1	Very low	33.1	Very low	182 Å²	182	131.7 Å²	131.7	79%	0.791	73%	0.732	S	S	*	*			trans	-56.8	140.8	178.9	-71.3	179.6	175.2	-179.5	0	110.6
691	P	29	Very low	34.4	Very low	121 Å²	121	132.6 Å²	132.6	79%	0.786	73%	0.725	S	S	*	*			trans	-73.2	133.9	-177	31.2	-33.8	0	0	0	110.2	E693	P691-E693 PolarHBondContact O-N 2.71Å
692	V	31.5	Very low	36	Very low	127 Å²	127	127.9 Å²	127.9	77%	0.77	71%	0.706	S	S	*	*			trans	-77.3	114.1	165.2	175.1	0	0	0	0	106.1	C694	V692-C694 PolarHBondContact O-N 3.27Å
693	E	29.5	Very low	37.3	Very low	194 Å²	194	127.9 Å²	127.9	91%	0.907	70%	0.699	S	S	*	*			trans	-61.4	100.6	169.6	-79.8	173.8	151.3	0	0	108.4	P691	P691-E693 PolarHBondContact O-N 2.71Å
694	C	32.1	Very low	38.8	Very low	82 Å²	82	123.6 Å²	123.6	55%	0.554	68%	0.684	S	S	*	*			trans	-91.9	118.1	165	-74	0	0	0	0	107.4	V692 H696	V692-C694 PolarHBondContact O-N 3.27Å; C694-H696 PolarHBondContact O-CD2 3Å; C694-H696 PolarHBondContact O-N 3.5Å
695	D	36.7	Very low	40.5	Very low	147 Å²	147	123 Å²	123	79%	0.786	67%	0.673	S	S	*	*			trans	-65.7	91.3	-179.3	-144.2	-9.8	0	0	0	109.4	G697	D695-G697 VanDerWaalsContact C-N 3.28Å; D695-G697 PolarHBondContact O-N 2.88Å
696	H	44.4	Very low	42	Very low	134 Å²	134	120.6 Å²	120.6	62%	0.62	66%	0.657	S	S	*	*			trans	-79.2	-9	-175.1	-82.7	-67.3	0	0	0	113.5	C694 D698 E700	C694-H696 PolarHBondContact O-CD2 3Å; C694-H696 PolarHBondContact O-N 3.5Å; H696-D698 PolarHBondContact O-N 3.04Å; H696-E700 PolarHBondContact O-N 3.15Å
697	G	47.6	Very low	43.1	Very low	30 Å²	30	122.4 Å²	122.4	31%	0.309	65%	0.651	S	S	.	*	H	α-helix	trans	-61.3	-46.5	-174.6	0	0	0	0	0	113.4	D695 L699 E700 Q701	D695-G697 VanDerWaalsContact C-N 3.28Å; D695-G697 PolarHBondContact O-N 2.88Å; G697-L699 PolarHBondContact O-N 3.47Å; G697-E700 PolarHBondContact O-N 2.95Å; G697-Q701 PolarHBondContact O-N 2.93Å
698	D	50.8	Low	44.4	Very low	132 Å²	132	121.5 Å²	121.5	71%	0.706	64%	0.642	S	S	*	*	H	α-helix	trans	-69.8	-33.1	-172.4	-71.9	-18.5	0	0	0	113.3	H696 S702	H696-D698 PolarHBondContact O-N 3.04Å; D698-S702 WeakPolarHBondContact O-CB 3.35Å; D698-S702 PolarHBondContact O-N 3.17Å
699	L	52	Low	45.5	Very low	114 Å²	114	121 Å²	121	60%	0.597	64%	0.636	S	S	*	*	H	α-helix	trans	-73.9	-38.1	178.1	-172.2	68.2	0	0	0	111.4	G697 S702 I703	G697-L699 PolarHBondContact O-N 3.47Å; L699-S702 PolarHBondContact O-N 2.94Å; L699-I703 HydrophobicContact CG-CD1 4.18Å; L699-I703 VanDerWaalsContact O-CG1 3.27Å; L699-I703 WeakPolarHBondContact O-CG1 3.33Å; L699-I703 PolarHBondContact O-N 2.95Å; L699-I703 VanDerWaalsContact O-N 3.07Å
700	E	48.7	Very low	46.3	Very low	132 Å²	132	119.1 Å²	119.1	62%	0.617	62%	0.62	S	S	*	*	H	α-helix	trans	-69.9	-40.8	179.2	-148.5	171.3	-160.2	0	0	110.9	H696 G697 I703 L704	H696-E700 PolarHBondContact O-N 3.15Å; G697-E700 PolarHBondContact O-N 2.95Å; E700-I703 PolarHBondContact O-N 2.72Å; E700-L704 WeakPolarHBondContact O-CG 3.3Å; E700-L704 PolarHBondContact O-N 3.44Å
701	Q	54.9	Low	47.2	Very low	122 Å²	122	112.7 Å²	112.7	57%	0.57	60%	0.599	S	S	*	*	H	α-helix	trans	-62	-43.1	172.2	-129	91.9	15	0	0	111.8	G697 I703 L704 D705	G697-Q701 PolarHBondContact O-N 2.93Å; Q701-I703 VanDerWaalsContact C-N 3.33Å; Q701-I703 PolarHBondContact O-N 3Å; Q701-L704 PolarHBondContact O-N 3.04Å; Q701-D705 WeakPolarHBondContact O-CB 3.47Å; Q701-D705 PolarHBondContact O-N 3.25Å
702	S	63.1	Low	47.6	Very low	70 Å²	70	109.4 Å²	109.4	49%	0.49	58%	0.582	S	S	.	*	H	α-helix	trans	-64.5	-35.6	178.9	-175.1	0	0	0	0	112.8	D698 L699 E706	D698-S702 WeakPolarHBondContact O-CB 3.35Å; D698-S702 PolarHBondContact O-N 3.17Å; L699-S702 PolarHBondContact O-N 2.94Å; S702-E706 WeakPolarHBondContact O-CB 3.47Å; S702-E706 PolarHBondContact O-N 2.71Å; S702-E706 VanDerWaalsContact O-N 3.15Å
703	I	52.6	Low	48.1	Very low	91 Å²	91	106.1 Å²	106.1	47%	0.467	56%	0.564	S	S	.	*	H	α-helix	trans	-71.3	-40.5	176.9	-68.8	166.5	0	0	0	110.4	L699 E700 Q701 E706 F707	L699-I703 HydrophobicContact CG-CD1 4.18Å; L699-I703 VanDerWaalsContact O-CG1 3.27Å; L699-I703 WeakPolarHBondContact O-CG1 3.33Å; L699-I703 PolarHBondContact O-N 2.95Å; L699-I703 VanDerWaalsContact O-N 3.07Å; E700-I703 PolarHBondContact O-N 2.72Å; Q701-I703 VanDerWaalsContact C-N 3.33Å; Q701-I703 PolarHBondContact O-N 3Å; I703-E706 PolarHBondContact O-N 2.94Å; I703-F707 WeakPolarHBondContact O-CB 3.44Å; I703-F707 PolarHBondContact O-N 3.08Å
704	L	56.9	Low	48.5	Very low	105 Å²	105	106.3 Å²	106.3	55%	0.55	56%	0.557	S	S	.	*	H	α-helix	trans	-64.7	-43.8	176.7	-75.3	165.8	0	0	0	111.7	E700 Q701 E706 F707 D708	E700-L704 WeakPolarHBondContact O-CG 3.3Å; E700-L704 PolarHBondContact O-N 3.44Å; Q701-L704 PolarHBondContact O-N 3.04Å; L704-E706 VanDerWaalsContact C-N 3.34Å; L704-E706 PolarHBondContact O-N 3.2Å; L704-F707 PolarHBondContact O-N 3.4Å; L704-D708 PolarHBondContact O-N 3.15Å
705	D	62.3	Low	48.9	Very low	97 Å²	97	108.2 Å²	108.2	52%	0.519	56%	0.56	S	S	.	*	H	α-helix	trans	-64.3	-37.4	177.3	-80.9	-13.6	0	0	0	112.2	Q701 F707 D708 Q709	Q701-D705 WeakPolarHBondContact O-CB 3.47Å; Q701-D705 PolarHBondContact O-N 3.25Å; D705-F707 VanDerWaalsContact C-N 3.35Å; D705-D708 PolarHBondContact O-N 3.4Å; D705-Q709 WeakPolarHBondContact O-CG 3.4Å; D705-Q709 PolarHBondContact O-N 2.93Å
706	E	57.7	Low	49	Very low	125 Å²	125	112.2 Å²	112.2	58%	0.584	56%	0.564	S	S	*	*	H	α-helix	trans	-67.4	-37.1	174.7	-162.9	177.8	-166.4	0	0	111.3	S702 I703 L704 Q709 L710	S702-E706 WeakPolarHBondContact O-CB 3.47Å; S702-E706 PolarHBondContact O-N 2.71Å; S702-E706 VanDerWaalsContact O-N 3.15Å; I703-E706 PolarHBondContact O-N 2.94Å; L704-E706 VanDerWaalsContact C-N 3.34Å; L704-E706 PolarHBondContact O-N 3.2Å; E706-Q709 PolarHBondContact O-N 3.14Å; E706-L710 WeakPolarHBondContact O-CG 3.3Å; E706-L710 PolarHBondContact O-N 2.97Å
707	F	46.1	Very low	48.8	Very low	145 Å²	145	115 Å²	115	64%	0.636	57%	0.574	S	S	*	*	H	α-helix	trans	-68.1	-39.2	175.6	-125.1	-88.8	0	0	0	112.5	I703 L704 D705 L710 S711	I703-F707 WeakPolarHBondContact O-CB 3.44Å; I703-F707 PolarHBondContact O-N 3.08Å; L704-F707 PolarHBondContact O-N 3.4Å; D705-F707 VanDerWaalsContact C-N 3.35Å; F707-L710 PolarHBondContact O-N 3.14Å; F707-S711 WeakPolarHBondContact O-CB 3.45Å; F707-S711 PolarHBondContact O-N 3.04Å
708	D	55	Low	48.1	Very low	108 Å²	108	121.5 Å²	121.5	58%	0.578	61%	0.608	S	S	*	*	H	α-helix	trans	-69.7	-34.4	176.4	-89.1	-12.4	0	0	0	112.3	L704 D705 S711 A712	L704-D708 PolarHBondContact O-N 3.15Å; D705-D708 PolarHBondContact O-N 3.4Å; D708-S711 WeakPolarHBondContact CA-OG 3.36Å; D708-S711 PolarHBondContact O-N 3.35Å; D708-S711 PolarHBondContact O-OG 3.39Å; D708-A712 VanDerWaalsContact O-CB 3.27Å; D708-A712 WeakPolarHBondContact O-CB 3.39Å; D708-A712 PolarHBondContact O-N 3.41Å
709	Q	49.7	Very low	48	Very low	144 Å²	144	121 Å²	121	67%	0.673	60%	0.604	S	S	*	*	H	α-helix	trans	-66.1	-40.2	170.6	-73.5	-175.3	31.9	0	0	112	D705 E706 S713	D705-Q709 WeakPolarHBondContact O-CG 3.4Å; D705-Q709 PolarHBondContact O-N 2.93Å; E706-Q709 PolarHBondContact O-N 3.14Å; Q709-S713 VanDerWaalsContact O-CB 3.31Å; Q709-S713 WeakPolarHBondContact O-CB 3.38Å; Q709-S713 PolarHBondContact O-N 3.16Å
710	L	43.1	Very low	47.8	Very low	99 Å²	99	121.4 Å²	121.4	52%	0.518	60%	0.604	S	S	.	*	H	α-helix	trans	-66.7	-40	176.7	-77.3	166.5	0	0	0	111.9	E706 F707 S713 R714	E706-L710 WeakPolarHBondContact O-CG 3.3Å; E706-L710 PolarHBondContact O-N 2.97Å; F707-L710 PolarHBondContact O-N 3.14Å; L710-S713 PolarHBondContact O-N 2.92Å; L710-S713 PolarHBondContact O-OG 3.37Å; L710-R714 PolarHBondContact O-N 3.41Å; L710-R714 VanDerWaalsContact O-N 3.16Å
711	S	46.9	Very low	47.8	Very low	48 Å²	48	120.8 Å²	120.8	34%	0.336	60%	0.603	S	S	.	*	H	α-helix	trans	-67.6	-45	177.3	76.4	0	0	0	0	111.2	F707 D708 S713 R714 I715	F707-S711 WeakPolarHBondContact O-CB 3.45Å; F707-S711 PolarHBondContact O-N 3.04Å; D708-S711 WeakPolarHBondContact CA-OG 3.36Å; D708-S711 PolarHBondContact O-N 3.35Å; D708-S711 PolarHBondContact O-OG 3.39Å; S711-S713 VanDerWaalsContact C-N 3.33Å; S711-S713 PolarHBondContact O-N 3.15Å; S711-R714 PolarHBondContact O-N 3.46Å; S711-I715 WeakPolarHBondContact O-CG1 3.48Å; S711-I715 PolarHBondContact O-N 3.14Å
712	A	38.3	Very low	47.3	Very low	52 Å²	52	120.7 Å²	120.7	43%	0.43	61%	0.605	S	S	.	*	H	α-helix	trans	-63.8	-36.7	175.9	0	0	0	0	0	112.5	D708 R714 I715 R716	D708-A712 VanDerWaalsContact O-CB 3.27Å; D708-A712 WeakPolarHBondContact O-CB 3.39Å; D708-A712 PolarHBondContact O-N 3.41Å; A712-R714 VanDerWaalsContact C-N 3.33Å; A712-R714 PolarHBondContact O-N 2.94Å; A712-I715 PolarHBondContact O-N 3.22Å; A712-R716 PolarHBondContact O-N 2.95Å; A712-R716 VanDerWaalsContact O-N 3.12Å
713	S	42.9	Very low	46.4	Very low	58 Å²	58	123.9 Å²	123.9	41%	0.406	61%	0.612	S	S	.	*	H	α-helix	trans	-67.8	-32.4	177.1	81.6	0	0	0	0	112.8	Q709 L710 S711	Q709-S713 VanDerWaalsContact O-CB 3.31Å; Q709-S713 WeakPolarHBondContact O-CB 3.38Å; Q709-S713 PolarHBondContact O-N 3.16Å; L710-S713 PolarHBondContact O-N 2.92Å; L710-S713 PolarHBondContact O-OG 3.37Å; S711-S713 VanDerWaalsContact C-N 3.33Å; S711-S713 PolarHBondContact O-N 3.15Å
714	R	37.4	Very low	45.9	Very low	198 Å²	198	126.1 Å²	126.1	75%	0.747	62%	0.622	S	S	*	*	H	α-helix	trans	-73.9	-41.5	174.1	-82.7	-174	178.4	-179.6	1.8	111.6	L710 S711 A712 R716 K717 T718	L710-R714 PolarHBondContact O-N 3.41Å; L710-R714 VanDerWaalsContact O-N 3.16Å; S711-R714 PolarHBondContact O-N 3.46Å; A712-R714 VanDerWaalsContact C-N 3.33Å; A712-R714 PolarHBondContact O-N 2.94Å; R714-R716 VanDerWaalsContact C-N 3.27Å; R714-R716 PolarHBondContact O-N 3.05Å; R714-K717 PolarHBondContact O-N 2.91Å; R714-T718 PolarHBondContact O-N 3.39Å; R714-T718 VanDerWaalsContact O-N 3.14Å; R714-T718 PolarHBondContact O-OG1 3.07Å
715	I	40.1	Very low	45.2	Very low	121 Å²	121	127.6 Å²	127.6	62%	0.621	63%	0.627	S	S	*	*	H	α-helix	trans	-66	-28.8	179.8	-66	166.6	0	0	0	111.9	S711 A712 T718	S711-I715 WeakPolarHBondContact O-CG1 3.48Å; S711-I715 PolarHBondContact O-N 3.14Å; A712-I715 PolarHBondContact O-N 3.22Å; I715-T718 PolarHBondContact O-OG1 3.37Å
716	R	38.8	Very low	43.8	Very low	231 Å²	231	129.9 Å²	129.9	87%	0.872	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-13.8	172.6	-80	-173.7	-175.8	158.5	3.9	114.7	A712 R714	A712-R716 PolarHBondContact O-N 2.95Å; A712-R716 VanDerWaalsContact O-N 3.12Å; R714-R716 VanDerWaalsContact C-N 3.27Å; R714-R716 PolarHBondContact O-N 3.05Å
717	K	40	Very low	42.7	Very low	193 Å²	193	130.3 Å²	130.3	84%	0.839	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	-16.9	-179.3	-83.6	-176	176.4	176.5	0	113.9	R714	R714-K717 PolarHBondContact O-N 2.91Å
718	T	34	Very low	42.4	Very low	167 Å²	167	129 Å²	129	100%	1.025	64%	0.64	S	S	*	*			trans	-87.9	0	164.5	52.9	0	0	0	0	110	R714 I715	R714-T718 PolarHBondContact O-N 3.39Å; R714-T718 VanDerWaalsContact O-N 3.14Å; R714-T718 PolarHBondContact O-OG1 3.07Å; I715-T718 PolarHBondContact O-OG1 3.37Å

Retrieved 718 of 718 residues in 452.5 ms (Link to these results)

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