A0A087X3M8_POEFO Loading...

DNA-(apurinic or apyrimidinic site) endonuclease

Initiates repair of AP sites in DNA by catalyzing hydrolytic incision of the phosphodiester backbone immediately adjacent to the damage, generating a single-strand break with 5'-deoxyribose phosphate and 3'-hydroxyl ends.

AlphaFold DB , UniProt , Accession A0A087X3M8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 562 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	95.2	Very high	96.7	Very high	17 Å²	17	14.5 Å²	14.5	8%	0.084	7%	0.074	C	C	.	.				0	133.4	0	170.9	175	67.3	0	0	109.7	L3 D28 I29 I126 H308 L309 C311 L313	M1-L3 HydrophobicContact CE-CD2 4.23Å; M1-L3 HydrophobicContact CG-CD2 4.11Å; M1-L3 HydrophobicContact SD-CD2 4Å; M1-D28 WeakPolarHBondContact CA-OD2 3.25Å; M1-D28 HydrophobicContact CG-CB 4.35Å; M1-I29 HydrophobicContact SD-CD1 4.17Å; M1-I126 HydrophobicContact CE-CG2 4.35Å; M1-I126 HydrophobicContact SD-CG2 4.45Å; M1-H308 WeakPolarHBondContact O-CA 3.36Å; M1-H308 PolarHBondContact O-CD2 3.08Å; M1-L309 HydrophobicContact CE-CB 4.26Å; M1-L309 HydrophobicContact CE-CD1 4.01Å; M1-L309 HydrophobicContact CE-CD2 3.8Å; M1-L309 HydrophobicContact CE-CG 4.25Å; M1-L309 PolarHBondContact N-O 2.93Å; M1-L309 PolarHBondContact O-N 2.57Å; M1-C311 PolarHBondContact N-O 3.21Å; M1-L313 HydrophobicContact CB-CD1 4.27Å; M1-L313 HydrophobicContact CB-CG 4.39Å; M1-L313 HydrophobicContact CG-CD1 3.76Å; M1-L313 HydrophobicContact CG-CG 4.13Å; M1-L313 HydrophobicContact SD-CD1 3.74Å; M1-L313 HydrophobicContact SD-CD2 3.67Å; M1-L313 HydrophobicContact SD-CG 3.64Å
2	K	98.4	Very high	95.4	Very high	47 Å²	47	32.3 Å²	32.3	20%	0.204	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	134.4	172.6	-174.4	170.5	151.5	-154.8	0	112.1	L25 D26 A27 D28 I29	K2-L25 PolarHBondContact NZ-O 2.69Å; K2-D26 VanDerWaalsContact CD-O 3.24Å; K2-D26 WeakPolarHBondContact CD-O 3.34Å; K2-D26 WeakPolarHBondContact CE-O 3.4Å; K2-D26 PolarHBondContact NZ-O 3.1Å; K2-A27 HydrophobicContact CB-CB 4.26Å; K2-A27 HydrophobicContact CD-CB 4.37Å; K2-A27 HydrophobicContact CG-CB 3.94Å; K2-D28 PolarHBondContact N-OD2 3.49Å; K2-D28 PolarHBondContact O-N 3.18Å; K2-I29 PolarHBondContact O-N 2.9Å
3	L	98.4	Very high	94.6	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	144	176.8	-52.8	178.2	0	0	0	109.8	M1 I29 I178 W306 A307 L309	M1-L3 HydrophobicContact CE-CD2 4.23Å; M1-L3 HydrophobicContact CG-CD2 4.11Å; M1-L3 HydrophobicContact SD-CD2 4Å; L3-I29 WeakPolarHBondContact CA-O 3.24Å; L3-I29 HydrophobicContact CD2-CB 3.83Å; L3-I29 HydrophobicContact CD2-CD1 3.82Å; L3-I29 HydrophobicContact CD2-CG1 4.21Å; L3-I178 HydrophobicContact CD1-CD1 3.5Å; L3-I178 VanDerWaalsContact CD1-CD1 3.5Å; L3-I178 HydrophobicContact CD1-CG2 4.26Å; L3-W306 VanDerWaalsContact O-CA 3.24Å; L3-W306 WeakPolarHBondContact O-CA 3.33Å; L3-W306 WeakPolarHBondContact O-CB 3.34Å; L3-A307 PolarHBondContact N-O 3.35Å; L3-A307 PolarHBondContact O-N 2.82Å; L3-L309 HydrophobicContact CD1-CD1 3.73Å; L3-L309 HydrophobicContact CG-CD1 4.06Å
4	V	98.9	Very high	94	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	140.5	170.2	171.6	0	0	0	0	109.9	L25 A27 I29 I30 C31 P304 V305 W306	V4-L25 HydrophobicContact CG1-CD1 4.19Å; V4-L25 HydrophobicContact CG1-CD2 4.32Å; V4-A27 HydrophobicContact CB-CB 4.17Å; V4-A27 HydrophobicContact CG2-CB 3.57Å; V4-I29 PolarHBondContact N-O 3.24Å; V4-I30 HydrophobicContact CB-CG1 4.39Å; V4-I30 HydrophobicContact CG1-CG2 4.45Å; V4-I30 WeakPolarHBondContact O-CA 3.49Å; V4-C31 PolarHBondContact O-N 2.82Å; V4-P304 HydrophobicContact CG1-CB 3.95Å; V4-V305 CarbonylContact C-O 3.58Å; V4-V305 WeakPolarHBondContact CA-O 3.43Å; V4-W306 HydrophobicContact CG2-CB 3.87Å
5	T	98.9	Very high	93.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	145.7	167.7	-164.4	0	0	0	0	111.7	C31 Q33 L180 G181 I277 P304 V305	T5-C31 CarbonylContact C-O 3.46Å; T5-C31 VanDerWaalsContact CA-O 3.24Å; T5-C31 WeakPolarHBondContact CA-O 3.35Å; T5-Q33 PolarHBondContact OG1-NE2 3.16Å; T5-Q33 PolarHBondContact OG1-OE1 2.89Å; T5-Q33 VanDerWaalsContact OG1-OE1 3.12Å; T5-L180 HydrophobicContact CG2-CB 4.26Å; T5-G181 VanDerWaalsContact OG1-CA 3.27Å; T5-G181 WeakPolarHBondContact OG1-CA 3.46Å; T5-G181 PolarHBondContact OG1-N 3.23Å; T5-I277 HydrophobicContact CG2-CG1 4.05Å; T5-P304 CarbonylContact O-C 3.59Å; T5-P304 VanDerWaalsContact O-CA 3.23Å; T5-P304 WeakPolarHBondContact O-CA 3.29Å; T5-V305 HydrophobicContact CG2-CB 4Å; T5-V305 HydrophobicContact CG2-CG2 4.43Å; T5-V305 PolarHBondContact N-O 3.04Å; T5-V305 PolarHBondContact O-N 3.42Å
6	W	98.8	Very high	92.6	Very high	9 Å²	9	43.8 Å²	43.8	3%	0.034	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	122.2	179.5	-173.2	20.4	0	0	0	113	I8 T13 F14 L25 C31 V32 Q33 V297 H302 P304	W6-I8 HydrophobicContact CB-CG2 4.35Å; W6-I8 HydrophobicContact CD2-CG2 3.66Å; W6-I8 HydrophobicContact CE3-CG2 3.71Å; W6-I8 HydrophobicContact CG-CG2 3.97Å; W6-I8 HydrophobicContact CZ3-CG2 4.31Å; W6-I8 PolarHBondContact O-N 3.42Å; W6-T13 HydrophobicContact CH2-CG2 4.19Å; W6-T13 HydrophobicContact CZ2-CG2 4.32Å; W6-F14 HydrophobicContact CE3-CE1 4.32Å; W6-F14 AromaticContact CZ3-CE1 3.8Å; W6-F14 HydrophobicContact CZ3-CE1 3.8Å; W6-L25 HydrophobicContact CE3-CD1 4.3Å; W6-C31 PolarHBondContact N-O 3.25Å; W6-V32 VanDerWaalsContact O-CA 3.27Å; W6-V32 WeakPolarHBondContact O-CA 3.27Å; W6-Q33 PolarHBondContact O-N 3.07Å; W6-Q33 PolarHBondContact O-OE1 3.33Å; W6-V297 HydrophobicContact CH2-CG1 3.64Å; W6-V297 HydrophobicContact CZ2-CG1 3.96Å; W6-V297 HydrophobicContact CZ3-CG1 4Å; W6-H302 PolarHBondContact NE1-O 3.05Å; W6-P304 HydrophobicContact CB-CB 4.07Å; W6-P304 HydrophobicContact CB-CG 4.23Å; W6-P304 HydrophobicContact CD2-CG 3.72Å; W6-P304 HydrophobicContact CE3-CG 3.99Å; W6-P304 HydrophobicContact CG-CB 4.16Å; W6-P304 HydrophobicContact CG-CG 3.83Å
7	N	98.7	Very high	92.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	113.2	161.8	-177.4	-19.7	0	0	0	109.6	N9 Q33 E34 D182 S300 H302	N7-N9 PolarHBondContact OD1-N 3.05Å; N7-Q33 HydrophobicContact CB-CB 4.03Å; N7-Q33 PolarHBondContact OD1-O 3.05Å; N7-E34 PolarHBondContact ND2-OE2 3.38Å; N7-E34 VanDerWaalsContact ND2-OE2 3.08Å; N7-E34 WeakPolarHBondContact OD1-CB 3.28Å; N7-D182 HydrophobicContact CB-CB 4.17Å; N7-D182 PolarHBondContact ND2-OD2 2.94Å; N7-S300 WeakPolarHBondContact O-CB 3.25Å; N7-S300 PolarHBondContact O-OG 2.92Å; N7-H302 HydrophobicContact CB-CB 4.12Å; N7-H302 WeakPolarHBondContact O-CB 3.39Å
8	I	97.6	Very high	92.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.208	C	C	.	.			trans	-91.9	-2.9	-174.2	60.4	171.7	0	0	0	113.9	W6 G10 I11 T13 F14 V32 Q33	W6-I8 HydrophobicContact CB-CG2 4.35Å; W6-I8 HydrophobicContact CD2-CG2 3.66Å; W6-I8 HydrophobicContact CE3-CG2 3.71Å; W6-I8 HydrophobicContact CG-CG2 3.97Å; W6-I8 HydrophobicContact CZ3-CG2 4.31Å; W6-I8 PolarHBondContact O-N 3.42Å; I8-G10 PolarHBondContact O-N 2.61Å; I8-G10 VanDerWaalsContact O-N 3.13Å; I8-I11 HydrophobicContact CD1-CD1 3.79Å; I8-T13 WeakPolarHBondContact O-CB 3.28Å; I8-T13 PolarHBondContact O-OG1 3.31Å; I8-F14 HydrophobicContact CD1-CE2 3.81Å; I8-F14 HydrophobicContact CD1-CZ 3.9Å; I8-F14 HydrophobicContact CG2-CE1 4.1Å; I8-F14 HydrophobicContact CG2-CZ 3.85Å; I8-V32 HydrophobicContact CD1-CB 4.07Å; I8-V32 HydrophobicContact CD1-CG2 4.15Å; I8-V32 HydrophobicContact CG1-CB 4.27Å; I8-V32 HydrophobicContact CG2-CB 4.02Å; I8-V32 HydrophobicContact CG2-CG1 3.8Å; I8-Q33 WeakPolarHBondContact CG1-O 3.49Å; I8-Q33 PolarHBondContact N-O 3.03Å
9	N	96	Very high	92.7	Very high	53 Å²	53	43.6 Å²	43.6	28%	0.283	22%	0.215	S	C	.	.	S	Bend	trans	50.9	34.9	-177.1	-164.9	-14.5	0	0	0	113.1	N7 K36 D301	N7-N9 PolarHBondContact OD1-N 3.05Å; N9-K36 PolarHBondContact OD1-NZ 3.37Å; N9-D301 WeakPolarHBondContact CB-OD1 3.38Å; N9-D301 PolarHBondContact ND2-OD1 2.77Å; N9-D301 PolarHBondContact ND2-OD2 2.86Å
10	G	94.9	Very high	92.8	Very high	7 Å²	7	48.5 Å²	48.5	7%	0.072	23%	0.234	C	C	.	.	S	Bend	trans	107.1	139.3	-179.2	0	0	0	0	0	114.1	I8 R12 T13 E34 T35	I8-G10 PolarHBondContact O-N 2.61Å; I8-G10 VanDerWaalsContact O-N 3.13Å; G10-R12 PolarHBondContact O-N 3.34Å; G10-T13 WeakPolarHBondContact O-CB 3.29Å; G10-T13 PolarHBondContact O-N 2.86Å; G10-T13 PolarHBondContact O-OG1 3.42Å; G10-E34 VanDerWaalsContact CA-O 3.29Å; G10-E34 WeakPolarHBondContact CA-O 3.04Å; G10-E34 PolarHBondContact N-O 2.92Å; G10-T35 CarbonylContact C-O 3.38Å; G10-T35 WeakPolarHBondContact CA-O 3.49Å
11	I	87.8	Confident	92.9	Very high	26 Å²	26	46.6 Å²	46.6	13%	0.133	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-55.4	-22.7	-175.8	-152.4	77	0	0	0	114.7	I8 T13 F14 I18 T35 V37 T46	I8-I11 HydrophobicContact CD1-CD1 3.79Å; I11-T13 PolarHBondContact O-N 3.41Å; I11-T13 VanDerWaalsContact O-N 3.17Å; I11-F14 HydrophobicContact CD1-CD2 3.92Å; I11-F14 HydrophobicContact CD1-CE2 3.7Å; I11-F14 HydrophobicContact CG1-CD2 4.11Å; I11-F14 HydrophobicContact CG1-CE2 4.39Å; I11-F14 PolarHBondContact O-N 3.12Å; I11-F14 VanDerWaalsContact O-N 3.16Å; I11-I18 HydrophobicContact CD1-CD1 4Å; I11-T35 PolarHBondContact N-O 3.18Å; I11-V37 HydrophobicContact CB-CG2 3.92Å; I11-V37 HydrophobicContact CG2-CG2 3.56Å; I11-T46 HydrophobicContact CD1-CG2 3.83Å; I11-T46 HydrophobicContact CG1-CG2 3.69Å
12	R	81.3	Confident	93	Very high	228 Å²	228	45.8 Å²	45.8	86%	0.86	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-65.6	-13	177.9	-60.5	-178	-176.1	175.6	2.5	113.6	G10 F14	G10-R12 PolarHBondContact O-N 3.34Å; R12-F14 PolarHBondContact O-N 3.35Å
13	T	84.4	Confident	92.9	Very high	25 Å²	25	46.6 Å²	46.6	15%	0.153	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-56.4	-31.9	169	-70.1	0	0	0	0	112.3	W6 I8 G10 I11 K15 G299	W6-T13 HydrophobicContact CH2-CG2 4.19Å; W6-T13 HydrophobicContact CZ2-CG2 4.32Å; I8-T13 WeakPolarHBondContact O-CB 3.28Å; I8-T13 PolarHBondContact O-OG1 3.31Å; G10-T13 WeakPolarHBondContact O-CB 3.29Å; G10-T13 PolarHBondContact O-N 2.86Å; G10-T13 PolarHBondContact O-OG1 3.42Å; I11-T13 PolarHBondContact O-N 3.41Å; I11-T13 VanDerWaalsContact O-N 3.17Å; T13-K15 PolarHBondContact O-N 2.99Å; T13-G299 VanDerWaalsContact CG2-C 3.5Å
14	F	86.6	Confident	92.8	Very high	17 Å²	17	50.8 Å²	50.8	8%	0.075	26%	0.259	C	S	.	.			trans	-77	56.2	177.3	-54.9	-39.8	0	0	0	113.7	W6 I8 I11 R12 S16 G17 I18 A21 V32	W6-F14 HydrophobicContact CE3-CE1 4.32Å; W6-F14 AromaticContact CZ3-CE1 3.8Å; W6-F14 HydrophobicContact CZ3-CE1 3.8Å; I8-F14 HydrophobicContact CD1-CE2 3.81Å; I8-F14 HydrophobicContact CD1-CZ 3.9Å; I8-F14 HydrophobicContact CG2-CE1 4.1Å; I8-F14 HydrophobicContact CG2-CZ 3.85Å; I11-F14 HydrophobicContact CD1-CD2 3.92Å; I11-F14 HydrophobicContact CD1-CE2 3.7Å; I11-F14 HydrophobicContact CG1-CD2 4.11Å; I11-F14 HydrophobicContact CG1-CE2 4.39Å; I11-F14 PolarHBondContact O-N 3.12Å; I11-F14 VanDerWaalsContact O-N 3.16Å; R12-F14 PolarHBondContact O-N 3.35Å; F14-S16 PolarHBondContact O-N 3.19Å; F14-S16 VanDerWaalsContact O-N 3.08Å; F14-G17 WeakPolarHBondContact O-CA 3.31Å; F14-G17 PolarHBondContact O-N 3.39Å; F14-I18 HydrophobicContact CB-CB 4.4Å; F14-I18 HydrophobicContact CD2-CB 3.88Å; F14-I18 HydrophobicContact CD2-CD1 3.91Å; F14-I18 HydrophobicContact CD2-CG1 3.6Å; F14-I18 HydrophobicContact CE2-CD1 3.87Å; F14-I18 HydrophobicContact CE2-CG1 3.78Å; F14-I18 HydrophobicContact CG-CB 4.43Å; F14-I18 HydrophobicContact CG-CG1 4.43Å; F14-A21 HydrophobicContact CB-CB 4.39Å; F14-A21 HydrophobicContact CD1-CB 3.37Å; F14-A21 HydrophobicContact CE1-CB 3.73Å; F14-A21 HydrophobicContact CG-CB 3.98Å; F14-V32 HydrophobicContact CZ-CG1 4.31Å
15	K	82.5	Confident	92.7	Very high	189 Å²	189	51 Å²	51	82%	0.822	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-30.3	-177.8	-63.5	172	-173.2	166.3	0	114.1	T13 G17	T13-K15 PolarHBondContact O-N 2.99Å; K15-G17 VanDerWaalsContact C-N 3.32Å
16	S	84	Confident	92.7	Very high	81 Å²	81	55.3 Å²	55.3	57%	0.566	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	6.5	179.1	56.6	0	0	0	0	114.1	F14	F14-S16 PolarHBondContact O-N 3.19Å; F14-S16 VanDerWaalsContact O-N 3.08Å
17	G	90.5	Very high	92.6	Very high	36 Å²	36	55 Å²	55	37%	0.371	28%	0.282	S	S	.	.			trans	92	132.3	-174.9	0	0	0	0	0	112.3	F14 K15 K19 K20 A21	F14-G17 WeakPolarHBondContact O-CA 3.31Å; F14-G17 PolarHBondContact O-N 3.39Å; K15-G17 VanDerWaalsContact C-N 3.32Å; G17-K19 VanDerWaalsContact C-N 3.31Å; G17-K19 PolarHBondContact O-N 2.86Å; G17-K20 PolarHBondContact O-N 3.08Å; G17-A21 PolarHBondContact O-N 2.74Å
18	I	94	Very high	92.6	Very high	16 Å²	16	56.1 Å²	56.1	8%	0.082	29%	0.289	C	S	.	.	H	α-helix	trans	-53.1	-42.2	-174.9	-173.8	166.2	0	0	0	113.9	I11 F14 K20 A21 L22 R45 T46 V49 Y71	I11-I18 HydrophobicContact CD1-CD1 4Å; F14-I18 HydrophobicContact CB-CB 4.4Å; F14-I18 HydrophobicContact CD2-CB 3.88Å; F14-I18 HydrophobicContact CD2-CD1 3.91Å; F14-I18 HydrophobicContact CD2-CG1 3.6Å; F14-I18 HydrophobicContact CE2-CD1 3.87Å; F14-I18 HydrophobicContact CE2-CG1 3.78Å; F14-I18 HydrophobicContact CG-CB 4.43Å; F14-I18 HydrophobicContact CG-CG1 4.43Å; I18-K20 VanDerWaalsContact C-N 3.31Å; I18-K20 PolarHBondContact O-N 2.78Å; I18-A21 WeakPolarHBondContact O-CB 3.49Å; I18-A21 PolarHBondContact O-N 3.3Å; I18-A21 VanDerWaalsContact O-N 3.12Å; I18-L22 HydrophobicContact CD1-CD1 4.36Å; I18-L22 HydrophobicContact CG1-CD1 3.86Å; I18-L22 HydrophobicContact CG1-CG 4.09Å; I18-L22 WeakPolarHBondContact O-CG 2.96Å; I18-L22 PolarHBondContact O-N 2.76Å; I18-R45 VanDerWaalsContact CG2-O 3.25Å; I18-R45 WeakPolarHBondContact CG2-O 3.49Å; I18-T46 HydrophobicContact CD1-CG2 4.15Å; I18-V49 HydrophobicContact CD1-CG2 4.35Å; I18-V49 HydrophobicContact CG1-CG2 4.42Å; I18-V49 HydrophobicContact CG2-CG2 3.92Å; I18-Y71 HydrophobicContact CD1-CE1 3.91Å; I18-Y71 HydrophobicContact CD1-CE2 4.46Å; I18-Y71 VanDerWaalsContact CD1-OH 3.23Å; I18-Y71 WeakPolarHBondContact CD1-OH 3.38Å
19	K	94.8	Very high	92.7	Very high	77 Å²	77	56.2 Å²	56.2	34%	0.335	29%	0.289	S	S	.	.	H	α-helix	trans	-56.7	-45.9	178.5	-163.5	-157.9	-175.7	-55.9	0	111.2	G17 A21 L22 D23 V49 D50	G17-K19 VanDerWaalsContact C-N 3.31Å; G17-K19 PolarHBondContact O-N 2.86Å; K19-A21 VanDerWaalsContact C-N 3.3Å; K19-A21 PolarHBondContact O-N 3.02Å; K19-L22 PolarHBondContact O-N 2.82Å; K19-D23 IonicContact NZ-OD1 3.03Å; K19-D23 PolarHBondContact NZ-OD1 3.49Å; K19-D23 IonicContact NZ-OD2 2.8Å; K19-D23 PolarHBondContact NZ-OD2 3.06Å; K19-D23 VanDerWaalsContact O-CB 3.29Å; K19-D23 WeakPolarHBondContact O-CB 3.27Å; K19-D23 PolarHBondContact O-N 3.29Å; K19-V49 HydrophobicContact CB-CG1 3.82Å; K19-V49 HydrophobicContact CG-CG1 3.67Å; K19-D50 VanDerWaalsContact CE-O 3.24Å; K19-D50 WeakPolarHBondContact CE-O 3.49Å
20	K	95.1	Very high	92.8	Very high	140 Å²	140	53.7 Å²	53.7	61%	0.609	28%	0.275	S	S	*	.	H	α-helix	trans	-64.7	-35.8	-179.6	-172.8	175.5	177.7	-178.1	0	111.8	G17 I18 S24	G17-K20 PolarHBondContact O-N 3.08Å; I18-K20 VanDerWaalsContact C-N 3.31Å; I18-K20 PolarHBondContact O-N 2.78Å; K20-S24 VanDerWaalsContact O-CB 3.28Å; K20-S24 WeakPolarHBondContact O-CB 3.48Å; K20-S24 PolarHBondContact O-N 2.73Å; K20-S24 PolarHBondContact O-OG 3.18Å; K20-S24 VanDerWaalsContact O-OG 3.1Å
21	A	94.8	Very high	93	Very high	10 Å²	10	53.3 Å²	53.3	8%	0.083	27%	0.272	C	S	.	.	H	α-helix	trans	-65.5	-51.2	174.5	0	0	0	0	0	111.5	F14 G17 I18 K19 D23 S24 L25	F14-A21 HydrophobicContact CB-CB 4.39Å; F14-A21 HydrophobicContact CD1-CB 3.37Å; F14-A21 HydrophobicContact CE1-CB 3.73Å; F14-A21 HydrophobicContact CG-CB 3.98Å; G17-A21 PolarHBondContact O-N 2.74Å; I18-A21 WeakPolarHBondContact O-CB 3.49Å; I18-A21 PolarHBondContact O-N 3.3Å; I18-A21 VanDerWaalsContact O-N 3.12Å; K19-A21 VanDerWaalsContact C-N 3.3Å; K19-A21 PolarHBondContact O-N 3.02Å; A21-D23 PolarHBondContact O-N 3.27Å; A21-S24 WeakPolarHBondContact CA-OG 3.48Å; A21-S24 PolarHBondContact O-N 3.46Å; A21-S24 VanDerWaalsContact O-N 3.12Å; A21-S24 PolarHBondContact O-OG 2.81Å; A21-L25 PolarHBondContact O-N 3.45Å; A21-L25 VanDerWaalsContact O-N 3.16Å
22	L	96.7	Very high	93.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.3	-40.8	178.2	-63.9	176.2	0	0	0	112.5	I18 K19 S24 L25 I30 V49 Y52 Y71	I18-L22 HydrophobicContact CD1-CD1 4.36Å; I18-L22 HydrophobicContact CG1-CD1 3.86Å; I18-L22 HydrophobicContact CG1-CG 4.09Å; I18-L22 WeakPolarHBondContact O-CG 2.96Å; I18-L22 PolarHBondContact O-N 2.76Å; K19-L22 PolarHBondContact O-N 2.82Å; L22-S24 VanDerWaalsContact C-N 3.32Å; L22-S24 PolarHBondContact O-N 2.71Å; L22-L25 PolarHBondContact O-N 3.19Å; L22-I30 HydrophobicContact CB-CD1 3.99Å; L22-I30 HydrophobicContact CD2-CB 4.05Å; L22-I30 HydrophobicContact CD2-CD1 3.79Å; L22-I30 HydrophobicContact CD2-CG2 3.66Å; L22-I30 HydrophobicContact CG-CD1 4.49Å; L22-I30 VanDerWaalsContact O-CD1 3.27Å; L22-I30 WeakPolarHBondContact O-CD1 3.2Å; L22-V49 HydrophobicContact CD1-CG1 4.2Å; L22-V49 HydrophobicContact CD1-CG2 4.2Å; L22-Y52 HydrophobicContact CB-CE1 4.34Å; L22-Y52 HydrophobicContact CB-CE2 4.22Å; L22-Y52 PolarHBondContact O-OH 3.33Å; L22-Y71 HydrophobicContact CD1-CD1 3.54Å; L22-Y71 HydrophobicContact CD1-CD2 4.3Å; L22-Y71 HydrophobicContact CD1-CE1 3.98Å; L22-Y71 HydrophobicContact CD1-CG 3.73Å; L22-Y71 HydrophobicContact CD2-CD2 4.15Å; L22-Y71 HydrophobicContact CD2-CG 4.2Å
23	D	96.9	Very high	94.4	Very high	63 Å²	63	41.2 Å²	41.2	34%	0.337	23%	0.225	S	C	.	.	H	α-helix	trans	-58.6	-43.9	172.9	-68.6	-16.7	0	0	0	110.9	K19 A21 L25 D26	K19-D23 IonicContact NZ-OD1 3.03Å; K19-D23 PolarHBondContact NZ-OD1 3.49Å; K19-D23 IonicContact NZ-OD2 2.8Å; K19-D23 PolarHBondContact NZ-OD2 3.06Å; K19-D23 VanDerWaalsContact O-CB 3.29Å; K19-D23 WeakPolarHBondContact O-CB 3.27Å; K19-D23 PolarHBondContact O-N 3.29Å; A21-D23 PolarHBondContact O-N 3.27Å; D23-L25 PolarHBondContact O-N 2.96Å; D23-D26 PolarHBondContact O-N 3.01Å
24	S	96.4	Very high	95	Very high	89 Å²	89	41.5 Å²	41.5	62%	0.622	22%	0.224	S	C	*	.	H	α-helix	trans	-73.8	-21.2	-175.6	65.9	0	0	0	0	115.5	K20 A21 L22	K20-S24 VanDerWaalsContact O-CB 3.28Å; K20-S24 WeakPolarHBondContact O-CB 3.48Å; K20-S24 PolarHBondContact O-N 2.73Å; K20-S24 PolarHBondContact O-OG 3.18Å; K20-S24 VanDerWaalsContact O-OG 3.1Å; A21-S24 WeakPolarHBondContact CA-OG 3.48Å; A21-S24 PolarHBondContact O-N 3.46Å; A21-S24 VanDerWaalsContact O-N 3.12Å; A21-S24 PolarHBondContact O-OG 2.81Å; L22-S24 VanDerWaalsContact C-N 3.32Å; L22-S24 PolarHBondContact O-N 2.71Å
25	L	97	Very high	95.5	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-75.1	-18.3	171.6	-66.8	169.4	0	0	0	112	K2 V4 W6 A21 L22 D23 I30 M294 P304	K2-L25 PolarHBondContact NZ-O 2.69Å; V4-L25 HydrophobicContact CG1-CD1 4.19Å; V4-L25 HydrophobicContact CG1-CD2 4.32Å; W6-L25 HydrophobicContact CE3-CD1 4.3Å; A21-L25 PolarHBondContact O-N 3.45Å; A21-L25 VanDerWaalsContact O-N 3.16Å; L22-L25 PolarHBondContact O-N 3.19Å; D23-L25 PolarHBondContact O-N 2.96Å; L25-I30 HydrophobicContact CB-CD1 4.12Å; L25-I30 HydrophobicContact CD1-CD1 4.37Å; L25-I30 HydrophobicContact CD1-CG2 3.8Å; L25-M294 HydrophobicContact CD2-SD 4.29Å; L25-P304 HydrophobicContact CD2-CB 4.31Å; L25-P304 HydrophobicContact CD2-CG 3.82Å
26	D	97.3	Very high	96.1	Very high	92 Å²	92	34.8 Å²	34.8	49%	0.492	20%	0.195	S	C	.	.			trans	39.9	70.1	-178.5	-171.9	38.7	0	0	0	114.4	K2 D23 R73	K2-D26 VanDerWaalsContact CD-O 3.24Å; K2-D26 WeakPolarHBondContact CD-O 3.34Å; K2-D26 WeakPolarHBondContact CE-O 3.4Å; K2-D26 PolarHBondContact NZ-O 3.1Å; D23-D26 PolarHBondContact O-N 3.01Å; D26-R73 IonicContact OD1-CZ 3.49Å; D26-R73 VanDerWaalsContact OD1-CZ 3.23Å; D26-R73 IonicContact OD1-NH1 3.85Å; D26-R73 PolarHBondContact OD1-NH1 3.04Å; D26-R73 IonicContact OD1-NH2 3.67Å; D26-R73 PolarHBondContact OD1-NH2 2.66Å
27	A	98.4	Very high	96.6	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.008	17%	0.17	C	C	.	.			trans	-139.2	155.7	179.2	0	0	0	0	0	111.7	K2 V4 I30 R73	K2-A27 HydrophobicContact CB-CB 4.26Å; K2-A27 HydrophobicContact CD-CB 4.37Å; K2-A27 HydrophobicContact CG-CB 3.94Å; V4-A27 HydrophobicContact CB-CB 4.17Å; V4-A27 HydrophobicContact CG2-CB 3.57Å; A27-I30 HydrophobicContact CB-CD1 4.44Å; A27-I30 HydrophobicContact CB-CG1 3.85Å; A27-R73 VanDerWaalsContact O-CD 3.31Å; A27-R73 WeakPolarHBondContact O-CD 3.43Å; A27-R73 PolarHBondContact O-NE 2.96Å
28	D	98.6	Very high	96.6	Very high	25 Å²	25	30 Å²	30	13%	0.134	16%	0.155	C	C	.	.	S	Bend	trans	-72.3	-40.5	178.4	-62.9	-58.9	0	0	0	111.1	M1 K2 C72 R73 N75 A76 L313	M1-D28 WeakPolarHBondContact CA-OD2 3.25Å; M1-D28 HydrophobicContact CG-CB 4.35Å; K2-D28 PolarHBondContact N-OD2 3.49Å; K2-D28 PolarHBondContact O-N 3.18Å; D28-C72 CarbonylContact O-C 3.51Å; D28-C72 WeakPolarHBondContact O-CA 3.29Å; D28-R73 PolarHBondContact O-N 3.24Å; D28-N75 PolarHBondContact OD1-ND2 3.08Å; D28-A76 HydrophobicContact CB-CB 4.09Å; D28-A76 WeakPolarHBondContact O-CB 3.19Å; D28-L313 HydrophobicContact CB-CD1 3.63Å
29	I	98.8	Very high	96.4	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	122.4	178.7	-55.5	168.1	0	0	0	108.4	M1 K2 L3 V4 T70 A76 H124 V137	M1-I29 HydrophobicContact SD-CD1 4.17Å; K2-I29 PolarHBondContact O-N 2.9Å; L3-I29 WeakPolarHBondContact CA-O 3.24Å; L3-I29 HydrophobicContact CD2-CB 3.83Å; L3-I29 HydrophobicContact CD2-CD1 3.82Å; L3-I29 HydrophobicContact CD2-CG1 4.21Å; V4-I29 PolarHBondContact N-O 3.24Å; I29-T70 HydrophobicContact CG2-CG2 3.77Å; I29-A76 HydrophobicContact CG1-CB 4Å; I29-H124 VanDerWaalsContact CD1-CE1 3.41Å; I29-H124 WeakPolarHBondContact CD1-CE1 3.26Å; I29-V137 HydrophobicContact CD1-CG2 4.48Å
30	I	98.9	Very high	96.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	116.7	-179.9	-58.4	166.4	0	0	0	108.8	V4 L22 L25 A27 V32 Y52 Y71	V4-I30 HydrophobicContact CB-CG1 4.39Å; V4-I30 HydrophobicContact CG1-CG2 4.45Å; V4-I30 WeakPolarHBondContact O-CA 3.49Å; L22-I30 HydrophobicContact CB-CD1 3.99Å; L22-I30 HydrophobicContact CD2-CB 4.05Å; L22-I30 HydrophobicContact CD2-CD1 3.79Å; L22-I30 HydrophobicContact CD2-CG2 3.66Å; L22-I30 HydrophobicContact CG-CD1 4.49Å; L22-I30 VanDerWaalsContact O-CD1 3.27Å; L22-I30 WeakPolarHBondContact O-CD1 3.2Å; L25-I30 HydrophobicContact CB-CD1 4.12Å; L25-I30 HydrophobicContact CD1-CD1 4.37Å; L25-I30 HydrophobicContact CD1-CG2 3.8Å; A27-I30 HydrophobicContact CB-CD1 4.44Å; A27-I30 HydrophobicContact CB-CG1 3.85Å; I30-V32 HydrophobicContact CG2-CG1 4.37Å; I30-Y52 HydrophobicContact CD1-CE1 4.09Å; I30-Y71 PolarHBondContact N-O 3.46Å; I30-Y71 PolarHBondContact O-N 3.46Å
31	C	98.9	Very high	95.9	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.1	-178.5	-66.1	0	0	0	0	109.6	V4 T5 W6 T70 N139 L180	V4-C31 PolarHBondContact O-N 2.82Å; T5-C31 CarbonylContact C-O 3.46Å; T5-C31 VanDerWaalsContact CA-O 3.24Å; T5-C31 WeakPolarHBondContact CA-O 3.35Å; W6-C31 PolarHBondContact N-O 3.25Å; C31-T70 PolarHBondContact SG-OG1 3.24Å; C31-N139 HydrophobicContact CB-CB 4.06Å; C31-N139 WeakPolarHBondContact CB-ND2 3.32Å; C31-L180 HydrophobicContact CB-CD1 3.28Å; C31-L180 WeakPolarHBondContact SG-CD1 3.45Å
32	V	98.6	Very high	95.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	139.1	178.7	-63	0	0	0	0	111.8	W6 I8 F14 I30 T35 V68 A69 Y71	W6-V32 VanDerWaalsContact O-CA 3.27Å; W6-V32 WeakPolarHBondContact O-CA 3.27Å; I8-V32 HydrophobicContact CD1-CB 4.07Å; I8-V32 HydrophobicContact CD1-CG2 4.15Å; I8-V32 HydrophobicContact CG1-CB 4.27Å; I8-V32 HydrophobicContact CG2-CB 4.02Å; I8-V32 HydrophobicContact CG2-CG1 3.8Å; F14-V32 HydrophobicContact CZ-CG1 4.31Å; I30-V32 HydrophobicContact CG2-CG1 4.37Å; V32-T35 HydrophobicContact CG2-CG2 3.94Å; V32-V68 WeakPolarHBondContact O-CA 3.21Å; V32-A69 HydrophobicContact CG2-CB 3.92Å; V32-A69 WeakPolarHBondContact CG2-O 3.35Å; V32-A69 PolarHBondContact N-O 2.88Å; V32-A69 PolarHBondContact O-N 3.31Å; V32-Y71 HydrophobicContact CG2-CD2 4.37Å; V32-Y71 HydrophobicContact CG2-CE2 3.8Å
33	Q	98.8	Very high	95.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	157.7	179	-61.9	78.1	46.6	0	0	111.8	T5 W6 N7 I8 T35 V68 N139 V140 Y141 G181	T5-Q33 PolarHBondContact OG1-NE2 3.16Å; T5-Q33 PolarHBondContact OG1-OE1 2.89Å; T5-Q33 VanDerWaalsContact OG1-OE1 3.12Å; W6-Q33 PolarHBondContact O-N 3.07Å; W6-Q33 PolarHBondContact O-OE1 3.33Å; N7-Q33 HydrophobicContact CB-CB 4.03Å; N7-Q33 PolarHBondContact OD1-O 3.05Å; I8-Q33 WeakPolarHBondContact CG1-O 3.49Å; I8-Q33 PolarHBondContact N-O 3.03Å; Q33-T35 PolarHBondContact O-N 3.22Å; Q33-V68 HydrophobicContact CB-CG1 4.48Å; Q33-V68 HydrophobicContact CG-CG1 4.27Å; Q33-N139 PolarHBondContact NE2-OD1 3.48Å; Q33-V140 WeakPolarHBondContact CG-O 3.48Å; Q33-Y141 HydrophobicContact CB-CD2 4.09Å; Q33-Y141 HydrophobicContact CB-CG 4.33Å; Q33-G181 VanDerWaalsContact CD-CA 3.45Å
34	E	97.6	Very high	95.1	Very high	31 Å²	31	38.5 Å²	38.5	15%	0.145	20%	0.199	C	C	.	.			trans	53.7	51.1	180	-146.3	-179.6	141.3	0	0	112.6	N7 G10 K36 S66 G67 Y141	N7-E34 PolarHBondContact ND2-OE2 3.38Å; N7-E34 VanDerWaalsContact ND2-OE2 3.08Å; N7-E34 WeakPolarHBondContact OD1-CB 3.28Å; G10-E34 VanDerWaalsContact CA-O 3.29Å; G10-E34 WeakPolarHBondContact CA-O 3.04Å; G10-E34 PolarHBondContact N-O 2.92Å; E34-K36 VanDerWaalsContact CG-CE 3.48Å; E34-K36 HydrophobicContact CG-CG 4.36Å; E34-K36 PolarHBondContact O-N 2.85Å; E34-K36 WeakPolarHBondContact OE1-CE 3.49Å; E34-K36 IonicContact OE1-NZ 3.85Å; E34-K36 PolarHBondContact OE1-NZ 2.88Å; E34-S66 CarbonylContact C-O 3.56Å; E34-G67 WeakPolarHBondContact CA-O 3.32Å; E34-G67 PolarHBondContact N-O 3.32Å; E34-Y141 HydrophobicContact CB-CD2 4.4Å; E34-Y141 HydrophobicContact CB-CE1 4.35Å; E34-Y141 HydrophobicContact CB-CE2 4.01Å; E34-Y141 HydrophobicContact CG-CE1 3.94Å; E34-Y141 HydrophobicContact CG-CE2 4.1Å; E34-Y141 WeakPolarHBondContact CG-OH 3.3Å; E34-Y141 WeakPolarHBondContact OE2-CE2 3.38Å; E34-Y141 VanDerWaalsContact OE2-CZ 3.22Å; E34-Y141 PolarHBondContact OE2-OH 2.83Å
35	T	97	Very high	94.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.206	C	C	.	.			trans	-63.8	-25.5	-175.9	64.8	0	0	0	0	113.5	G10 I11 V32 Q33 V37 S66 G67 A69	G10-T35 CarbonylContact C-O 3.38Å; G10-T35 WeakPolarHBondContact CA-O 3.49Å; I11-T35 PolarHBondContact N-O 3.18Å; V32-T35 HydrophobicContact CG2-CG2 3.94Å; Q33-T35 PolarHBondContact O-N 3.22Å; T35-V37 PolarHBondContact O-N 3.26Å; T35-S66 PolarHBondContact N-O 2.76Å; T35-G67 PolarHBondContact N-O 3.28Å; T35-A69 HydrophobicContact CG2-CB 4.03Å
36	K	96.1	Very high	94.6	Very high	64 Å²	64	44.5 Å²	44.5	28%	0.278	21%	0.209	S	C	.	.			trans	56.1	27.4	-177	-57.7	-178.9	-170.7	-173.1	0	113.5	N9 E34 G64 S66	N9-K36 PolarHBondContact OD1-NZ 3.37Å; E34-K36 VanDerWaalsContact CG-CE 3.48Å; E34-K36 HydrophobicContact CG-CG 4.36Å; E34-K36 PolarHBondContact O-N 2.85Å; E34-K36 WeakPolarHBondContact OE1-CE 3.49Å; E34-K36 IonicContact OE1-NZ 3.85Å; E34-K36 PolarHBondContact OE1-NZ 2.88Å; K36-G64 WeakPolarHBondContact CB-O 3.16Å; K36-G64 WeakPolarHBondContact CG-O 3.44Å; K36-S66 PolarHBondContact N-O 3.46Å
37	V	92.6	Very high	94.4	Very high	9 Å²	9	40.1 Å²	40.1	6%	0.055	19%	0.185	C	C	.	.			trans	-110.9	127.9	175.2	176.6	0	0	0	0	108.8	I11 T35 L42	I11-V37 HydrophobicContact CB-CG2 3.92Å; I11-V37 HydrophobicContact CG2-CG2 3.56Å; T35-V37 PolarHBondContact O-N 3.26Å; V37-L42 HydrophobicContact CG1-CB 3.69Å; V37-L42 HydrophobicContact CG1-CD1 3.93Å; V37-L42 HydrophobicContact CG1-CG 4.39Å
38	T	91.3	Very high	94.1	Very high	8 Å²	8	41.2 Å²	41.2	5%	0.049	19%	0.191	C	C	.	.			trans	-98.6	157.1	162.4	47.6	0	0	0	0	109.7	D40 L41 L42 S59 S63	T38-D40 WeakPolarHBondContact CB-OD1 3.25Å; T38-D40 PolarHBondContact O-N 3.46Å; T38-D40 VanDerWaalsContact O-N 3.11Å; T38-D40 PolarHBondContact OG1-OD1 3.31Å; T38-L41 CarbonylContact O-C 3.58Å; T38-L41 WeakPolarHBondContact O-CA 3.36Å; T38-L41 PolarHBondContact O-N 2.76Å; T38-L42 PolarHBondContact O-N 3.15Å; T38-L42 VanDerWaalsContact O-N 3.14Å; T38-S59 WeakPolarHBondContact CG2-O 3.32Å; T38-S63 PolarHBondContact OG1-OG 2.84Å; T38-S63 VanDerWaalsContact OG1-OG 3.14Å
39	R	90.4	Very high	94	Very high	113 Å²	113	40.3 Å²	40.3	43%	0.426	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-55.5	-31.9	-171.2	-179.8	175.8	168.8	152.5	4.9	114	L41 Y58 E329	R39-L41 VanDerWaalsContact C-N 3.34Å; R39-Y58 HydrophobicContact CB-CD1 4.16Å; R39-Y58 HydrophobicContact CB-CD2 4.28Å; R39-Y58 HydrophobicContact CB-CE1 4.18Å; R39-Y58 HydrophobicContact CB-CE2 4.31Å; R39-Y58 HydrophobicContact CB-CG 4.2Å; R39-E329 IonicContact CZ-OE1 2.81Å; R39-E329 IonicContact CZ-OE2 3.93Å; R39-E329 IonicContact NE-OE1 3.24Å; R39-E329 PolarHBondContact NE-OE1 3.08Å; R39-E329 IonicContact NE-OE2 3.81Å; R39-E329 VanDerWaalsContact NH2-CD 3.33Å; R39-E329 IonicContact NH2-OE1 3.37Å; R39-E329 PolarHBondContact NH2-OE1 3.36Å; R39-E329 IonicContact NH2-OE2 2.66Å; R39-E329 PolarHBondContact NH2-OE2 3.01Å
40	D	88.2	Confident	93.8	Very high	123 Å²	123	43.2 Å²	43.2	66%	0.658	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-71.1	-22.7	175.2	62.5	-51.9	0	0	0	114.4	T38	T38-D40 WeakPolarHBondContact CB-OD1 3.25Å; T38-D40 PolarHBondContact O-N 3.46Å; T38-D40 VanDerWaalsContact O-N 3.11Å; T38-D40 PolarHBondContact OG1-OD1 3.31Å
41	L	90	Very high	93.7	Very high	103 Å²	103	44.9 Å²	44.9	54%	0.539	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-106.1	0.1	179.3	-59.8	-176.3	0	0	0	113.3	T38 R39 D43 S63	T38-L41 CarbonylContact O-C 3.58Å; T38-L41 WeakPolarHBondContact O-CA 3.36Å; T38-L41 PolarHBondContact O-N 2.76Å; R39-L41 VanDerWaalsContact C-N 3.34Å; L41-D43 PolarHBondContact O-N 2.94Å; L41-S63 VanDerWaalsContact CD1-OG 3.31Å; L41-S63 WeakPolarHBondContact CD1-OG 3.34Å
42	L	90.7	Very high	93.6	Very high	14 Å²	14	45.1 Å²	45.1	7%	0.073	22%	0.22	C	C	.	.			trans	-72.6	118.6	178	179.3	62.1	0	0	0	110.3	V37 T38 T46 A47 F56 Y58 T324 L327 F330	V37-L42 HydrophobicContact CG1-CB 3.69Å; V37-L42 HydrophobicContact CG1-CD1 3.93Å; V37-L42 HydrophobicContact CG1-CG 4.39Å; T38-L42 PolarHBondContact O-N 3.15Å; T38-L42 VanDerWaalsContact O-N 3.14Å; L42-T46 HydrophobicContact CD1-CG2 3.52Å; L42-A47 HydrophobicContact CD1-CB 4.2Å; L42-A47 HydrophobicContact CD2-CB 3.9Å; L42-A47 HydrophobicContact CG-CB 4.01Å; L42-F56 HydrophobicContact CD1-CE1 3.86Å; L42-F56 HydrophobicContact CD1-CZ 3.89Å; L42-Y58 HydrophobicContact CD2-CE1 4.11Å; L42-Y58 VanDerWaalsContact CD2-OH 3.24Å; L42-Y58 WeakPolarHBondContact CD2-OH 3.49Å; L42-T324 HydrophobicContact CD2-CG2 4.49Å; L42-L327 HydrophobicContact CD2-CD1 4.06Å; L42-F330 HydrophobicContact CD2-CE2 4.13Å; L42-F330 HydrophobicContact CD2-CZ 4.26Å; L42-F330 HydrophobicContact CG-CE2 4.38Å; L42-F330 HydrophobicContact CG-CZ 4.04Å; L42-F330 WeakPolarHBondContact O-CZ 3.42Å
43	D	90.9	Very high	93.6	Very high	72 Å²	72	45.2 Å²	45.2	39%	0.385	22%	0.22	S	C	.	.			trans	-86.7	153.3	173.6	84.5	-87.2	0	0	0	112.1	L41 R45 T46 A47	L41-D43 PolarHBondContact O-N 2.94Å; D43-R45 PolarHBondContact O-N 3.13Å; D43-R45 WeakPolarHBondContact OD2-CA 3.38Å; D43-R45 WeakPolarHBondContact OD2-CB 3.24Å; D43-R45 PolarHBondContact OD2-N 3.2Å; D43-T46 PolarHBondContact O-N 2.68Å; D43-T46 WeakPolarHBondContact OD1-CB 3.48Å; D43-T46 PolarHBondContact OD1-OG1 3.18Å; D43-T46 PolarHBondContact OD2-N 2.82Å; D43-T46 VanDerWaalsContact OD2-N 3.15Å; D43-A47 PolarHBondContact O-N 2.84Å
44	E	90.8	Very high	93.6	Very high	60 Å²	60	45.3 Å²	45.3	28%	0.28	22%	0.221	S	C	.	.	H	α-helix	trans	-62.2	-26.4	-175.8	-171.4	176.5	-177.2	0	0	113.5	I48 F330 K333 Q335	E44-I48 HydrophobicContact CG-CD1 4.23Å; E44-I48 WeakPolarHBondContact O-CA 3.22Å; E44-I48 WeakPolarHBondContact O-CB 3.35Å; E44-I48 PolarHBondContact O-N 2.95Å; E44-F330 HydrophobicContact CB-CD1 3.63Å; E44-F330 HydrophobicContact CB-CE1 3.77Å; E44-F330 HydrophobicContact CB-CG 4.43Å; E44-F330 HydrophobicContact CG-CB 4.44Å; E44-F330 HydrophobicContact CG-CD1 3.8Å; E44-F330 HydrophobicContact CG-CE1 4.4Å; E44-F330 HydrophobicContact CG-CG 4.18Å; E44-K333 WeakPolarHBondContact OE2-CD 3.32Å; E44-Q335 PolarHBondContact OE1-NE2 2.95Å
45	R	91.2	Very high	93.6	Very high	206 Å²	206	43.9 Å²	43.9	78%	0.777	21%	0.214	S	C	*	.	H	α-helix	trans	-82.3	-27.8	-179.6	-50.4	175.2	177.5	177.7	-1.3	112	I18 D43	I18-R45 VanDerWaalsContact CG2-O 3.25Å; I18-R45 WeakPolarHBondContact CG2-O 3.49Å; D43-R45 PolarHBondContact O-N 3.13Å; D43-R45 WeakPolarHBondContact OD2-CA 3.38Å; D43-R45 WeakPolarHBondContact OD2-CB 3.24Å; D43-R45 PolarHBondContact OD2-N 3.2Å
46	T	92.1	Very high	93.6	Very high	12 Å²	12	43.9 Å²	43.9	7%	0.074	21%	0.214	C	C	.	.	H	α-helix	trans	-73.3	-43.2	167.5	-66.3	0	0	0	0	111	I11 I18 L42 D43 F56 Y71	I11-T46 HydrophobicContact CD1-CG2 3.83Å; I11-T46 HydrophobicContact CG1-CG2 3.69Å; I18-T46 HydrophobicContact CD1-CG2 4.15Å; L42-T46 HydrophobicContact CD1-CG2 3.52Å; D43-T46 PolarHBondContact O-N 2.68Å; D43-T46 WeakPolarHBondContact OD1-CB 3.48Å; D43-T46 PolarHBondContact OD1-OG1 3.18Å; D43-T46 PolarHBondContact OD2-N 2.82Å; D43-T46 VanDerWaalsContact OD2-N 3.15Å; T46-F56 HydrophobicContact CG2-CZ 4.02Å; T46-Y71 PolarHBondContact O-OH 3.16Å
47	A	91.9	Very high	93.7	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-67	-62.9	178.3	0	0	0	0	0	112.5	L42 D43 V49 S54 T324 F330	L42-A47 HydrophobicContact CD1-CB 4.2Å; L42-A47 HydrophobicContact CD2-CB 3.9Å; L42-A47 HydrophobicContact CG-CB 4.01Å; D43-A47 PolarHBondContact O-N 2.84Å; A47-V49 PolarHBondContact O-N 3.19Å; A47-S54 PolarHBondContact O-OG 2.69Å; A47-T324 HydrophobicContact CB-CG2 4.47Å; A47-T324 PolarHBondContact O-OG1 3.07Å; A47-T324 VanDerWaalsContact O-OG1 3.13Å; A47-F330 HydrophobicContact CB-CD2 3.99Å; A47-F330 HydrophobicContact CB-CE2 3.34Å; A47-F330 HydrophobicContact CB-CZ 3.8Å
48	I	93.8	Very high	93.9	Very high	24 Å²	24	41.5 Å²	41.5	12%	0.123	20%	0.203	C	C	.	.	S	Bend	trans	-103.7	83.1	-168	-50.6	-179.5	0	0	0	109.2	E44 R325 F330	E44-I48 HydrophobicContact CG-CD1 4.23Å; E44-I48 WeakPolarHBondContact O-CA 3.22Å; E44-I48 WeakPolarHBondContact O-CB 3.35Å; E44-I48 PolarHBondContact O-N 2.95Å; I48-R325 HydrophobicContact CD1-CB 4.22Å; I48-R325 HydrophobicContact CG1-CB 4.4Å; I48-F330 HydrophobicContact CD1-CB 3.79Å; I48-F330 HydrophobicContact CD1-CD2 4.22Å; I48-F330 HydrophobicContact CD1-CG 4.16Å; I48-F330 HydrophobicContact CG1-CD2 4.45Å
49	V	95.6	Very high	94.1	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.03	20%	0.203	C	C	.	.			trans	-84.7	129.4	177.5	-176.4	0	0	0	0	110.3	I18 K19 L22 A47 G51 Y52 Y71	I18-V49 HydrophobicContact CD1-CG2 4.35Å; I18-V49 HydrophobicContact CG1-CG2 4.42Å; I18-V49 HydrophobicContact CG2-CG2 3.92Å; K19-V49 HydrophobicContact CB-CG1 3.82Å; K19-V49 HydrophobicContact CG-CG1 3.67Å; L22-V49 HydrophobicContact CD1-CG1 4.2Å; L22-V49 HydrophobicContact CD1-CG2 4.2Å; A47-V49 PolarHBondContact O-N 3.19Å; V49-G51 PolarHBondContact O-N 2.95Å; V49-Y52 HydrophobicContact CG1-CD2 3.92Å; V49-Y52 HydrophobicContact CG1-CG 4.5Å; V49-Y52 PolarHBondContact O-N 2.93Å; V49-Y52 VanDerWaalsContact O-N 3.08Å; V49-Y71 HydrophobicContact CG2-CD1 4.33Å; V49-Y71 HydrophobicContact CG2-CE1 4Å
50	D	94.6	Very high	94.2	Very high	62 Å²	62	40.6 Å²	40.6	33%	0.332	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	126.7	178.6	-55.7	-54.5	0	0	0	111	K19 K336	K19-D50 VanDerWaalsContact CE-O 3.24Å; K19-D50 WeakPolarHBondContact CE-O 3.49Å; D50-K336 IonicContact OD1-NZ 2.92Å; D50-K336 PolarHBondContact OD1-NZ 2.9Å; D50-K336 IonicContact OD2-NZ 2.61Å; D50-K336 PolarHBondContact OD2-NZ 2.67Å
51	G	96.1	Very high	94	Very high	35 Å²	35	38.8 Å²	38.8	36%	0.361	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	-1.4	-176.1	0	0	0	0	0	115.5	V49 R73 D74	V49-G51 PolarHBondContact O-N 2.95Å; G51-R73 WeakPolarHBondContact O-CA 3.27Å; G51-D74 VanDerWaalsContact C-OD2 3.27Å; G51-D74 WeakPolarHBondContact CA-OD2 3Å; G51-D74 PolarHBondContact O-N 3.36Å
52	Y	98.1	Very high	93.9	Very high	6 Å²	6	39.9 Å²	39.9	2%	0.024	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	160.6	-176.9	-68.7	-99.7	0	0	0	113.1	L22 I30 V49 C72 R73 R325	L22-Y52 HydrophobicContact CB-CE1 4.34Å; L22-Y52 HydrophobicContact CB-CE2 4.22Å; L22-Y52 PolarHBondContact O-OH 3.33Å; I30-Y52 HydrophobicContact CD1-CE1 4.09Å; V49-Y52 HydrophobicContact CG1-CD2 3.92Å; V49-Y52 HydrophobicContact CG1-CG 4.5Å; V49-Y52 PolarHBondContact O-N 2.93Å; V49-Y52 VanDerWaalsContact O-N 3.08Å; Y52-C72 CarbonylContact C-O 3.57Å; Y52-C72 VanDerWaalsContact CA-O 3.26Å; Y52-C72 WeakPolarHBondContact CA-O 3.35Å; Y52-R73 HydrophobicContact CD1-CG 3.95Å; Y52-R73 HydrophobicContact CE1-CB 4.38Å; Y52-R73 HydrophobicContact CE1-CG 3.39Å; Y52-R73 HydrophobicContact CE2-CG 4.38Å; Y52-R73 PolarHBondContact OH-NE 2.79Å; Y52-R325 PolarHBondContact O-NH2 2.67Å
53	N	97.8	Very high	93.9	Very high	2 Å²	2	43 Å²	43	1%	0.011	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.5	171.5	-56.1	-88.5	0	0	0	106.3	Y55 Y71 C72 D74 T77 R325	N53-Y55 HydrophobicContact CB-CE2 4.06Å; N53-Y71 WeakPolarHBondContact O-CA 3.17Å; N53-C72 PolarHBondContact N-O 3.49Å; N53-C72 PolarHBondContact O-N 3.18Å; N53-D74 PolarHBondContact ND2-OD1 2.96Å; N53-T77 PolarHBondContact ND2-OG1 2.84Å; N53-R325 PolarHBondContact OD1-NH1 2.98Å; N53-R325 PolarHBondContact OD1-NH2 2.78Å
54	S	98.1	Very high	93.8	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.014	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	145.9	-174.9	71.1	0	0	0	0	112.8	A47 T70 C323 T324	A47-S54 PolarHBondContact O-OG 2.69Å; S54-T70 CarbonylContact C-O 3.48Å; S54-T70 VanDerWaalsContact CA-O 3.29Å; S54-T70 WeakPolarHBondContact CA-O 3.09Å; S54-C323 WeakPolarHBondContact O-CA 3.43Å; S54-T324 PolarHBondContact O-N 3.07Å; S54-T324 WeakPolarHBondContact OG-CG2 3.26Å; S54-T324 PolarHBondContact OG-OG1 3.19Å
55	Y	98.3	Very high	93.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	129.7	-175.7	-50	-85.7	0	0	0	107.1	N53 A69 T70 P78 A81 T122 P319 P320 L322 C323	N53-Y55 HydrophobicContact CB-CE2 4.06Å; Y55-A69 CarbonylContact O-C 3.5Å; Y55-A69 VanDerWaalsContact O-CA 3.25Å; Y55-A69 WeakPolarHBondContact O-CA 3.5Å; Y55-T70 PolarHBondContact N-O 3.12Å; Y55-T70 PolarHBondContact O-N 2.74Å; Y55-P78 HydrophobicContact CE1-CG 4.21Å; Y55-P78 HydrophobicContact CE2-CG 3.67Å; Y55-P78 VanDerWaalsContact CZ-CG 3.49Å; Y55-P78 WeakPolarHBondContact OH-CD 3.1Å; Y55-P78 WeakPolarHBondContact OH-CG 3.41Å; Y55-A81 HydrophobicContact CD1-CB 3.56Å; Y55-A81 HydrophobicContact CE1-CB 3.93Å; Y55-A81 HydrophobicContact CG-CB 4.15Å; Y55-T122 HydrophobicContact CD2-CG2 3.69Å; Y55-T122 HydrophobicContact CE2-CG2 4.34Å; Y55-T122 HydrophobicContact CG-CG2 3.92Å; Y55-P319 WeakPolarHBondContact OH-CB 3.37Å; Y55-P320 HydrophobicContact CE1-CG 3.83Å; Y55-L322 HydrophobicContact CD1-CB 4.3Å; Y55-L322 HydrophobicContact CD1-CG 4.5Å; Y55-C323 HydrophobicContact CD1-CB 4.22Å; Y55-C323 HydrophobicContact CE1-CB 3.57Å
56	F	97.9	Very high	94.2	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147.7	-169.7	-86.2	-116.4	0	0	0	111.1	L42 T46 Y58 V68 A69 Y71 T324	L42-F56 HydrophobicContact CD1-CE1 3.86Å; L42-F56 HydrophobicContact CD1-CZ 3.89Å; T46-F56 HydrophobicContact CG2-CZ 4.02Å; F56-Y58 HydrophobicContact CB-CE1 3.87Å; F56-Y58 HydrophobicContact CB-CE2 3.78Å; F56-Y58 VanDerWaalsContact CB-CZ 3.42Å; F56-Y58 WeakPolarHBondContact CB-OH 3.31Å; F56-Y58 HydrophobicContact CD1-CD1 4.43Å; F56-Y58 AromaticContact CD1-CE1 3.7Å; F56-Y58 HydrophobicContact CD1-CE1 3.7Å; F56-Y58 HydrophobicContact CG-CE1 4.12Å; F56-Y58 AromaticContact CG-CZ 4Å; F56-V68 WeakPolarHBondContact CA-O 3.41Å; F56-A69 HydrophobicContact CD1-CB 3.78Å; F56-A69 HydrophobicContact CD2-CB 3.74Å; F56-A69 HydrophobicContact CE1-CB 3.77Å; F56-A69 HydrophobicContact CE2-CB 3.73Å; F56-A69 HydrophobicContact CG-CB 3.77Å; F56-A69 HydrophobicContact CZ-CB 3.77Å; F56-Y71 HydrophobicContact CE2-CE1 4.39Å; F56-Y71 WeakPolarHBondContact CZ-OH 3.18Å; F56-T324 HydrophobicContact CD2-CG2 3.43Å; F56-T324 VanDerWaalsContact CD2-CG2 3.43Å; F56-T324 HydrophobicContact CE2-CG2 3.84Å; F56-T324 HydrophobicContact CG-CG2 4.25Å
57	S	97.7	Very high	94.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	139.5	158.6	-176.8	0	0	0	0	110.6	G67 V68 E83 G117 A119	S57-G67 WeakPolarHBondContact O-CA 3.46Å; S57-V68 PolarHBondContact N-O 2.9Å; S57-V68 PolarHBondContact O-N 2.99Å; S57-E83 WeakPolarHBondContact CA-OE1 3.33Å; S57-E83 VanDerWaalsContact CB-CG 3.43Å; S57-E83 WeakPolarHBondContact CB-OE1 3.24Å; S57-E83 VanDerWaalsContact OG-CG 3.25Å; S57-E83 WeakPolarHBondContact OG-CG 3.33Å; S57-E83 PolarHBondContact OG-OE1 2.97Å; S57-G117 WeakPolarHBondContact OG-CA 3.28Å; S57-A119 VanDerWaalsContact CB-O 3.22Å; S57-A119 WeakPolarHBondContact CB-O 3.24Å; S57-A119 PolarHBondContact OG-O 3Å
58	Y	95.9	Very high	94.8	Very high	22 Å²	22	31.3 Å²	31.3	9%	0.086	19%	0.189	C	C	.	.			trans	-121.7	139.3	-171.6	-49.1	-87.4	0	0	0	111.5	R39 L42 F56 R60 E83 G117	R39-Y58 HydrophobicContact CB-CD1 4.16Å; R39-Y58 HydrophobicContact CB-CD2 4.28Å; R39-Y58 HydrophobicContact CB-CE1 4.18Å; R39-Y58 HydrophobicContact CB-CE2 4.31Å; R39-Y58 HydrophobicContact CB-CG 4.2Å; L42-Y58 HydrophobicContact CD2-CE1 4.11Å; L42-Y58 VanDerWaalsContact CD2-OH 3.24Å; L42-Y58 WeakPolarHBondContact CD2-OH 3.49Å; F56-Y58 HydrophobicContact CB-CE1 3.87Å; F56-Y58 HydrophobicContact CB-CE2 3.78Å; F56-Y58 VanDerWaalsContact CB-CZ 3.42Å; F56-Y58 WeakPolarHBondContact CB-OH 3.31Å; F56-Y58 HydrophobicContact CD1-CD1 4.43Å; F56-Y58 AromaticContact CD1-CE1 3.7Å; F56-Y58 HydrophobicContact CD1-CE1 3.7Å; F56-Y58 HydrophobicContact CG-CE1 4.12Å; F56-Y58 AromaticContact CG-CZ 4Å; Y58-R60 PolarHBondContact O-N 2.86Å; Y58-R60 PolarHBondContact O-NH1 2.72Å; Y58-E83 PolarHBondContact N-OE1 2.95Å; Y58-G117 WeakPolarHBondContact O-CA 3.34Å
59	S	95.6	Very high	95	Very high	7 Å²	7	30.1 Å²	30.1	5%	0.049	18%	0.183	C	C	.	.			trans	-67	124.9	171.9	-174.8	0	0	0	0	111	T38 Y65	T38-S59 WeakPolarHBondContact CG2-O 3.32Å; S59-Y65 VanDerWaalsContact CB-O 3.3Å; S59-Y65 WeakPolarHBondContact CB-O 3.48Å
60	R	93.6	Very high	95.1	Very high	96 Å²	96	29.9 Å²	29.9	36%	0.362	18%	0.181	S	C	.	.	S	Bend	trans	-90.4	122.3	173.2	-67.8	158.6	173.8	75.2	-9.5	108.1	Y58 E83 N115	Y58-R60 PolarHBondContact O-N 2.86Å; Y58-R60 PolarHBondContact O-NH1 2.72Å; R60-E83 IonicContact CZ-OE1 3.2Å; R60-E83 IonicContact CZ-OE2 3.72Å; R60-E83 IonicContact NH1-OE1 3.68Å; R60-E83 PolarHBondContact NH1-OE1 3.37Å; R60-E83 IonicContact NH1-OE2 2.63Å; R60-E83 PolarHBondContact NH1-OE2 2.81Å; R60-E83 IonicContact NH2-OE1 3.17Å; R60-E83 IonicContact NH2-OE2 3.07Å; R60-E83 PolarHBondContact NH2-OE2 2.82Å; R60-N115 HydrophobicContact CB-CB 4.33Å; R60-N115 WeakPolarHBondContact CD-OD1 3.05Å; R60-N115 PolarHBondContact N-O 2.78Å
61	G	84	Confident	95.3	Very high	85 Å²	85	27 Å²	27	88%	0.876	17%	0.166	S	C	*	.	S	Bend	trans	90.1	-5.4	177.8	0	0	0	0	0	116.8
62	R	88.6	Confident	95.5	Very high	126 Å²	126	25.3 Å²	25.3	48%	0.475	15%	0.148	S	C	.	.			trans	-136.9	106.4	171.7	-65.2	-175.4	-174.5	137.5	6.1	111.6	Y65 E116	R62-Y65 HydrophobicContact CB-CD1 3.99Å; R62-Y65 HydrophobicContact CB-CG 4.03Å; R62-E116 IonicContact CZ-OE1 3.24Å; R62-E116 IonicContact NH1-OE1 2.78Å; R62-E116 PolarHBondContact NH1-OE1 3.11Å
63	S	89.4	Confident	95.5	Very high	79 Å²	79	27.7 Å²	27.7	55%	0.552	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	146	172.4	-168.3	0	0	0	0	111.4	T38 L41 Y65	T38-S63 PolarHBondContact OG1-OG 2.84Å; T38-S63 VanDerWaalsContact OG1-OG 3.14Å; L41-S63 VanDerWaalsContact CD1-OG 3.31Å; L41-S63 WeakPolarHBondContact CD1-OG 3.34Å; S63-Y65 PolarHBondContact O-N 2.74Å
64	G	89	Confident	95.4	Very high	39 Å²	39	30.5 Å²	30.5	40%	0.402	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	13.4	-178	0	0	0	0	0	115.3	K36	K36-G64 WeakPolarHBondContact CB-O 3.16Å; K36-G64 WeakPolarHBondContact CG-O 3.44Å
65	Y	93.9	Very high	95.3	Very high	65 Å²	65	34 Å²	34	26%	0.255	19%	0.191	S	C	.	.	S	Bend	trans	-119.5	142.4	-174.3	-178.8	-106.1	0	0	0	111.8	S59 R62 S63 E116 R118 R152	S59-Y65 VanDerWaalsContact CB-O 3.3Å; S59-Y65 WeakPolarHBondContact CB-O 3.48Å; R62-Y65 HydrophobicContact CB-CD1 3.99Å; R62-Y65 HydrophobicContact CB-CG 4.03Å; S63-Y65 PolarHBondContact O-N 2.74Å; Y65-E116 HydrophobicContact CE1-CB 4.48Å; Y65-E116 HydrophobicContact CE1-CG 4.31Å; Y65-E116 PolarHBondContact OH-OE2 3.15Å; Y65-R118 PolarHBondContact OH-NH2 2.83Å; Y65-R152 PolarHBondContact OH-NH2 3.06Å
66	S	95.9	Very high	95.3	Very high	1 Å²	1	34 Å²	34	1%	0.007	19%	0.191	C	C	.	.			trans	54	-140.3	171.5	-169.7	0	0	0	0	112.1	E34 T35 K36 E116 Y141	E34-S66 CarbonylContact C-O 3.56Å; T35-S66 PolarHBondContact N-O 2.76Å; K36-S66 PolarHBondContact N-O 3.46Å; S66-E116 WeakPolarHBondContact CB-O 3.41Å; S66-E116 PolarHBondContact OG-O 3.28Å; S66-Y141 WeakPolarHBondContact OG-CD1 3.28Å
67	G	97.8	Very high	95.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.193	C	C	.	.			trans	88	138	180	0	0	0	0	0	112.4	E34 T35 S57 G117	E34-G67 WeakPolarHBondContact CA-O 3.32Å; E34-G67 PolarHBondContact N-O 3.32Å; T35-G67 PolarHBondContact N-O 3.28Å; S57-G67 WeakPolarHBondContact O-CA 3.46Å; G67-G117 CarbonylContact C-O 3.59Å; G67-G117 WeakPolarHBondContact CA-O 3.43Å; G67-G117 PolarHBondContact N-O 3.37Å
68	V	98.7	Very high	95.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150.2	174.6	-65.2	0	0	0	0	109.9	V32 Q33 F56 S57 G117 V120 Y141	V32-V68 WeakPolarHBondContact O-CA 3.21Å; Q33-V68 HydrophobicContact CB-CG1 4.48Å; Q33-V68 HydrophobicContact CG-CG1 4.27Å; F56-V68 WeakPolarHBondContact CA-O 3.41Å; S57-V68 PolarHBondContact N-O 2.9Å; S57-V68 PolarHBondContact O-N 2.99Å; V68-G117 PolarHBondContact N-O 3.4Å; V68-V120 HydrophobicContact CB-CG1 4.34Å; V68-V120 HydrophobicContact CG2-CB 3.99Å; V68-V120 HydrophobicContact CG2-CG1 3.73Å; V68-Y141 VanDerWaalsContact CG1-CB 3.47Å
69	A	98.5	Very high	95.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	139.2	174.5	0	0	0	0	0	112	V32 T35 Y55 F56 Y71 N139	V32-A69 HydrophobicContact CG2-CB 3.92Å; V32-A69 WeakPolarHBondContact CG2-O 3.35Å; V32-A69 PolarHBondContact N-O 2.88Å; V32-A69 PolarHBondContact O-N 3.31Å; T35-A69 HydrophobicContact CG2-CB 4.03Å; Y55-A69 CarbonylContact O-C 3.5Å; Y55-A69 VanDerWaalsContact O-CA 3.25Å; Y55-A69 WeakPolarHBondContact O-CA 3.5Å; F56-A69 HydrophobicContact CD1-CB 3.78Å; F56-A69 HydrophobicContact CD2-CB 3.74Å; F56-A69 HydrophobicContact CE1-CB 3.77Å; F56-A69 HydrophobicContact CE2-CB 3.73Å; F56-A69 HydrophobicContact CG-CB 3.77Å; F56-A69 HydrophobicContact CZ-CB 3.77Å; A69-Y71 HydrophobicContact CB-CE2 3.79Å; A69-N139 VanDerWaalsContact C-ND2 3.29Å; A69-N139 PolarHBondContact O-ND2 3.47Å
70	T	98.9	Very high	95.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	125.5	174.1	-63.6	0	0	0	0	109	I29 C31 S54 Y55 V120 T122 N139	I29-T70 HydrophobicContact CG2-CG2 3.77Å; C31-T70 PolarHBondContact SG-OG1 3.24Å; S54-T70 CarbonylContact C-O 3.48Å; S54-T70 VanDerWaalsContact CA-O 3.29Å; S54-T70 WeakPolarHBondContact CA-O 3.09Å; Y55-T70 PolarHBondContact N-O 3.12Å; Y55-T70 PolarHBondContact O-N 2.74Å; T70-V120 WeakPolarHBondContact OG1-CG1 3.31Å; T70-T122 HydrophobicContact CG2-CG2 3.93Å; T70-N139 WeakPolarHBondContact OG1-CB 3.23Å; T70-N139 PolarHBondContact OG1-ND2 3.44Å
71	Y	98.7	Very high	95.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	113.3	176.3	-62.1	-98	0	0	0	108.9	I18 L22 I30 V32 T46 V49 N53 F56 A69	I18-Y71 HydrophobicContact CD1-CE1 3.91Å; I18-Y71 HydrophobicContact CD1-CE2 4.46Å; I18-Y71 VanDerWaalsContact CD1-OH 3.23Å; I18-Y71 WeakPolarHBondContact CD1-OH 3.38Å; L22-Y71 HydrophobicContact CD1-CD1 3.54Å; L22-Y71 HydrophobicContact CD1-CD2 4.3Å; L22-Y71 HydrophobicContact CD1-CE1 3.98Å; L22-Y71 HydrophobicContact CD1-CG 3.73Å; L22-Y71 HydrophobicContact CD2-CD2 4.15Å; L22-Y71 HydrophobicContact CD2-CG 4.2Å; I30-Y71 PolarHBondContact N-O 3.46Å; I30-Y71 PolarHBondContact O-N 3.46Å; V32-Y71 HydrophobicContact CG2-CD2 4.37Å; V32-Y71 HydrophobicContact CG2-CE2 3.8Å; T46-Y71 PolarHBondContact O-OH 3.16Å; V49-Y71 HydrophobicContact CG2-CD1 4.33Å; V49-Y71 HydrophobicContact CG2-CE1 4Å; N53-Y71 WeakPolarHBondContact O-CA 3.17Å; F56-Y71 HydrophobicContact CE2-CE1 4.39Å; F56-Y71 WeakPolarHBondContact CZ-OH 3.18Å; A69-Y71 HydrophobicContact CB-CE2 3.79Å
72	C	98.8	Very high	96.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	133	173.7	-49	0	0	0	0	108.8	D28 Y52 N53 A76	D28-C72 CarbonylContact O-C 3.51Å; D28-C72 WeakPolarHBondContact O-CA 3.29Å; Y52-C72 CarbonylContact C-O 3.57Å; Y52-C72 VanDerWaalsContact CA-O 3.26Å; Y52-C72 WeakPolarHBondContact CA-O 3.35Å; N53-C72 PolarHBondContact N-O 3.49Å; N53-C72 PolarHBondContact O-N 3.18Å; C72-A76 HydrophobicContact CB-CB 4.02Å; C72-A76 WeakPolarHBondContact CB-O 3.41Å
73	R	98.2	Very high	96.9	Very high	57 Å²	57	21.3 Å²	21.3	22%	0.215	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	160.6	167.1	-75	-176.3	166.3	162.8	-2.8	110.2	D26 A27 D28 G51 Y52 N75 A76	D26-R73 IonicContact OD1-CZ 3.49Å; D26-R73 VanDerWaalsContact OD1-CZ 3.23Å; D26-R73 IonicContact OD1-NH1 3.85Å; D26-R73 PolarHBondContact OD1-NH1 3.04Å; D26-R73 IonicContact OD1-NH2 3.67Å; D26-R73 PolarHBondContact OD1-NH2 2.66Å; A27-R73 VanDerWaalsContact O-CD 3.31Å; A27-R73 WeakPolarHBondContact O-CD 3.43Å; A27-R73 PolarHBondContact O-NE 2.96Å; D28-R73 PolarHBondContact O-N 3.24Å; G51-R73 WeakPolarHBondContact O-CA 3.27Å; Y52-R73 HydrophobicContact CD1-CG 3.95Å; Y52-R73 HydrophobicContact CE1-CB 4.38Å; Y52-R73 HydrophobicContact CE1-CG 3.39Å; Y52-R73 HydrophobicContact CE2-CG 4.38Å; Y52-R73 PolarHBondContact OH-NE 2.79Å; R73-N75 WeakPolarHBondContact CB-OD1 3.24Å; R73-N75 PolarHBondContact O-N 2.88Å; R73-A76 CarbonylContact O-C 3.59Å; R73-A76 WeakPolarHBondContact O-CA 3.18Å; R73-A76 WeakPolarHBondContact O-CB 3.46Å; R73-A76 PolarHBondContact O-N 2.84Å
74	D	96.7	Very high	97.3	Very high	61 Å²	61	17.6 Å²	17.6	33%	0.326	10%	0.099	S	C	.	.	G	3₁₀ helix	trans	-59.9	-27.4	179.3	-77.4	-50	0	0	0	113	G51 N53 A76 T77 R339	G51-D74 VanDerWaalsContact C-OD2 3.27Å; G51-D74 WeakPolarHBondContact CA-OD2 3Å; G51-D74 PolarHBondContact O-N 3.36Å; N53-D74 PolarHBondContact ND2-OD1 2.96Å; D74-A76 VanDerWaalsContact C-N 3.25Å; D74-A76 PolarHBondContact O-N 3.36Å; D74-T77 PolarHBondContact O-OG1 2.92Å; D74-R339 VanDerWaalsContact CG-NH2 3.28Å; D74-R339 IonicContact OD1-CZ 3.67Å; D74-R339 IonicContact OD1-NH1 3.35Å; D74-R339 IonicContact OD1-NH2 3.12Å; D74-R339 PolarHBondContact OD1-NH2 3.3Å; D74-R339 IonicContact OD2-CZ 3.2Å; D74-R339 IonicContact OD2-NH1 2.84Å; D74-R339 PolarHBondContact OD2-NH1 3.47Å; D74-R339 IonicContact OD2-NH2 2.72Å; D74-R339 PolarHBondContact OD2-NH2 2.92Å; D74-R339 VanDerWaalsContact OD2-NH2 3.12Å
75	N	96.3	Very high	97.8	Very high	74 Å²	74	15.7 Å²	15.7	40%	0.396	8%	0.08	S	C	.	.	G	3₁₀ helix	trans	-76.1	-3.5	170.4	71.4	-53.8	0	0	0	114.9	D28 R73 P315	D28-N75 PolarHBondContact OD1-ND2 3.08Å; R73-N75 WeakPolarHBondContact CB-OD1 3.24Å; R73-N75 PolarHBondContact O-N 2.88Å; N75-P315 WeakPolarHBondContact O-CB 3.3Å
76	A	97.9	Very high	97.9	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-120.7	26.2	-178.6	0	0	0	0	0	111.5	D28 I29 C72 R73 D74 P78 H124 L313	D28-A76 HydrophobicContact CB-CB 4.09Å; D28-A76 WeakPolarHBondContact O-CB 3.19Å; I29-A76 HydrophobicContact CG1-CB 4Å; C72-A76 HydrophobicContact CB-CB 4.02Å; C72-A76 WeakPolarHBondContact CB-O 3.41Å; R73-A76 CarbonylContact O-C 3.59Å; R73-A76 WeakPolarHBondContact O-CA 3.18Å; R73-A76 WeakPolarHBondContact O-CB 3.46Å; R73-A76 PolarHBondContact O-N 2.84Å; D74-A76 VanDerWaalsContact C-N 3.25Å; D74-A76 PolarHBondContact O-N 3.36Å; A76-P78 VanDerWaalsContact O-CD 3.27Å; A76-P78 WeakPolarHBondContact O-CD 3.48Å; A76-H124 PolarHBondContact O-CE1 3.12Å; A76-H124 VanDerWaalsContact O-CE1 3.26Å; A76-H124 PolarHBondContact O-ND1 2.94Å; A76-L313 HydrophobicContact CB-CD1 3.65Å
77	T	98.4	Very high	97.9	Very high	9 Å²	9	13.7 Å²	13.7	6%	0.055	8%	0.077	C	C	.	.			trans	-66.1	115.8	-175.9	-61.1	0	0	0	0	110.6	N53 D74 C316 P319	N53-T77 PolarHBondContact ND2-OG1 2.84Å; D74-T77 PolarHBondContact O-OG1 2.92Å; T77-C316 WeakPolarHBondContact CB-O 3.47Å; T77-C316 HydrophobicContact CG2-CB 4.45Å; T77-C316 VanDerWaalsContact CG2-O 3.27Å; T77-C316 WeakPolarHBondContact CG2-O 3Å; T77-C316 PolarHBondContact O-N 3.39Å; T77-P319 HydrophobicContact CG2-CB 3.9Å
78	P	98.4	Very high	97.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.099	C	C	.	.			trans	-69	159.6	-176	26.2	-33.9	0	0	0	113.2	Y55 A76 T122 Q123 P320	Y55-P78 HydrophobicContact CE1-CG 4.21Å; Y55-P78 HydrophobicContact CE2-CG 3.67Å; Y55-P78 VanDerWaalsContact CZ-CG 3.49Å; Y55-P78 WeakPolarHBondContact OH-CD 3.1Å; Y55-P78 WeakPolarHBondContact OH-CG 3.41Å; A76-P78 VanDerWaalsContact O-CD 3.27Å; A76-P78 WeakPolarHBondContact O-CD 3.48Å; P78-T122 HydrophobicContact CG-CG2 4.41Å; P78-Q123 CarbonylContact C-O 3.53Å; P78-Q123 VanDerWaalsContact CA-O 3.24Å; P78-Q123 WeakPolarHBondContact CA-O 3.43Å; P78-Q123 WeakPolarHBondContact CB-O 3.39Å; P78-P320 HydrophobicContact CG-CG 4.28Å; P78-P320 WeakPolarHBondContact O-CD 3.24Å
79	S	97.8	Very high	97.5	Very high	42 Å²	42	19 Å²	19	29%	0.294	11%	0.105	S	C	.	.	S	Bend	trans	-81.3	-35.3	173.5	56.7	0	0	0	0	113.1	Q123 C316	S79-Q123 PolarHBondContact N-O 2.98Å; S79-Q123 PolarHBondContact OG-O 2.69Å; S79-C316 WeakPolarHBondContact CA-SG 3.37Å; S79-C316 VanDerWaalsContact CB-SG 3.54Å
80	A	98.4	Very high	97	Very high	7 Å²	7	20.5 Å²	20.5	6%	0.058	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	152.9	178.3	0	0	0	0	0	110.3	G94 V96 Q123	A80-G94 WeakPolarHBondContact CA-O 3.41Å; A80-G94 WeakPolarHBondContact CB-O 3.48Å; A80-V96 HydrophobicContact CB-CG2 3.94Å; A80-Q123 HydrophobicContact CB-CB 4.21Å; A80-Q123 PolarHBondContact O-N 2.75Å
81	A	98.5	Very high	96.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	145.3	175.7	0	0	0	0	0	110.4	Y55 H92 G94 I121 T122 P320 L322	Y55-A81 HydrophobicContact CD1-CB 3.56Å; Y55-A81 HydrophobicContact CE1-CB 3.93Å; Y55-A81 HydrophobicContact CG-CB 4.15Å; A81-H92 PolarHBondContact O-CE1 3.37Å; A81-G94 PolarHBondContact N-O 2.94Å; A81-I121 CarbonylContact C-O 3.57Å; A81-I121 WeakPolarHBondContact CA-O 3.22Å; A81-T122 HydrophobicContact CB-CG2 4.15Å; A81-P320 HydrophobicContact CB-CB 4.43Å; A81-P320 HydrophobicContact CB-CG 3.58Å; A81-L322 HydrophobicContact CB-CB 4.25Å; A81-L322 HydrophobicContact CB-CD2 4.15Å
82	E	98.3	Very high	95.9	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	146.6	-170.8	-171.6	159.6	-163	0	0	112.2	T90 V96 G97 Y99 I121 R166	E82-T90 HydrophobicContact CG-CG2 4.08Å; E82-T90 VanDerWaalsContact CG-OG1 3.24Å; E82-T90 WeakPolarHBondContact CG-OG1 3.39Å; E82-T90 WeakPolarHBondContact OE1-CB 3.24Å; E82-T90 PolarHBondContact OE1-OG1 2.9Å; E82-V96 HydrophobicContact CB-CB 4.14Å; E82-V96 HydrophobicContact CB-CG2 3.86Å; E82-V96 WeakPolarHBondContact OE2-CA 3.38Å; E82-V96 PolarHBondContact OE2-N 3.14Å; E82-G97 PolarHBondContact OE2-N 3.4Å; E82-Y99 WeakPolarHBondContact OE1-CE1 3.47Å; E82-Y99 PolarHBondContact OE1-OH 2.67Å; E82-I121 HydrophobicContact CB-CB 4.47Å; E82-I121 PolarHBondContact N-O 2.93Å; E82-I121 PolarHBondContact O-N 2.73Å; E82-R166 VanDerWaalsContact CD-NH2 3.34Å; E82-R166 IonicContact OE1-NH2 2.74Å; E82-R166 IonicContact OE2-CZ 2.83Å; E82-R166 IonicContact OE2-NH2 2.71Å; E82-R166 PolarHBondContact OE2-NH2 2.91Å
83	E	97.5	Very high	95.2	Very high	14 Å²	14	38.5 Å²	38.5	7%	0.065	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	132.4	176.6	-157.1	-167.1	168.6	0	0	110.5	S57 Y58 R60 L89 L322	S57-E83 WeakPolarHBondContact CA-OE1 3.33Å; S57-E83 VanDerWaalsContact CB-CG 3.43Å; S57-E83 WeakPolarHBondContact CB-OE1 3.24Å; S57-E83 VanDerWaalsContact OG-CG 3.25Å; S57-E83 WeakPolarHBondContact OG-CG 3.33Å; S57-E83 PolarHBondContact OG-OE1 2.97Å; Y58-E83 PolarHBondContact N-OE1 2.95Å; R60-E83 IonicContact CZ-OE1 3.2Å; R60-E83 IonicContact CZ-OE2 3.72Å; R60-E83 IonicContact NH1-OE1 3.68Å; R60-E83 PolarHBondContact NH1-OE1 3.37Å; R60-E83 IonicContact NH1-OE2 2.63Å; R60-E83 PolarHBondContact NH1-OE2 2.81Å; R60-E83 IonicContact NH2-OE1 3.17Å; R60-E83 IonicContact NH2-OE2 3.07Å; R60-E83 PolarHBondContact NH2-OE2 2.82Å; E83-L89 HydrophobicContact CB-CB 4.26Å; E83-L89 HydrophobicContact CB-CD1 4.33Å; E83-L89 HydrophobicContact CG-CD1 3.96Å; E83-L322 HydrophobicContact CB-CD1 4.49Å; E83-L322 HydrophobicContact CB-CD2 4.39Å
84	G	97.9	Very high	94.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	81	-170	-178.2	0	0	0	0	0	114.2	D114 A119 I121	G84-D114 VanDerWaalsContact CA-CG 3.46Å; G84-D114 VanDerWaalsContact CA-OD1 3.25Å; G84-D114 WeakPolarHBondContact CA-OD1 3.46Å; G84-D114 WeakPolarHBondContact CA-OD2 3.44Å; G84-A119 PolarHBondContact N-O 2.69Å; G84-I121 WeakPolarHBondContact O-CD1 3.17Å
85	L	98.3	Very high	94.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-111.4	-26	178.1	-59.6	173.2	0	0	0	111.9	D114 A119 I121 I138 F159 L162 L163 R166	L85-D114 VanDerWaalsContact N-CG 3.33Å; L85-D114 PolarHBondContact N-OD1 3.17Å; L85-D114 PolarHBondContact N-OD2 2.98Å; L85-D114 VanDerWaalsContact N-OD2 3.1Å; L85-A119 HydrophobicContact CD1-CB 4.46Å; L85-A119 HydrophobicContact CD2-CB 3.66Å; L85-A119 HydrophobicContact CG-CB 3.7Å; L85-I121 HydrophobicContact CD2-CD1 4.39Å; L85-I138 HydrophobicContact CD2-CG2 4.05Å; L85-F159 HydrophobicContact CD1-CD2 4.49Å; L85-F159 HydrophobicContact CD1-CE1 4.3Å; L85-F159 HydrophobicContact CD1-CE2 3.93Å; L85-F159 HydrophobicContact CD1-CZ 3.83Å; L85-L162 HydrophobicContact CB-CD1 4.46Å; L85-L162 HydrophobicContact CB-CD2 4.01Å; L85-L162 HydrophobicContact CB-CG 3.92Å; L85-L162 HydrophobicContact CD1-CD2 4.1Å; L85-L162 HydrophobicContact CD1-CG 3.97Å; L85-L163 HydrophobicContact CD1-CB 4.08Å; L85-L163 HydrophobicContact CD1-CD1 4.45Å; L85-L163 HydrophobicContact CD2-CD1 4.02Å; L85-R166 HydrophobicContact CB-CB 4.44Å; L85-R166 HydrophobicContact CB-CG 4.34Å; L85-R166 HydrophobicContact CD2-CB 4.45Å; L85-R166 HydrophobicContact CD2-CG 4.04Å; L85-R166 WeakPolarHBondContact O-CD 3.37Å
86	T	97.2	Very high	94.6	Very high	9 Å²	9	33.3 Å²	33.3	6%	0.055	19%	0.193	C	C	.	.	S	Bend	trans	-91.2	-20.8	-167.3	68.4	0	0	0	0	114.7	L88 Y99 L110 D114 L162	T86-L88 VanDerWaalsContact C-N 3.29Å; T86-L88 WeakPolarHBondContact OG1-CB 3.49Å; T86-L88 WeakPolarHBondContact OG1-CG 3.49Å; T86-L88 PolarHBondContact OG1-N 2.93Å; T86-L88 VanDerWaalsContact OG1-N 3.1Å; T86-Y99 VanDerWaalsContact O-CD1 3.29Å; T86-Y99 WeakPolarHBondContact O-CD1 3.39Å; T86-L110 HydrophobicContact CG2-CB 3.88Å; T86-L110 HydrophobicContact CG2-CD2 3.77Å; T86-L110 HydrophobicContact CG2-CG 4.4Å; T86-D114 VanDerWaalsContact CB-OD2 3.27Å; T86-D114 WeakPolarHBondContact CB-OD2 3.48Å; T86-D114 VanDerWaalsContact CG2-OD2 3.31Å; T86-D114 WeakPolarHBondContact CG2-OD2 3.24Å; T86-D114 PolarHBondContact N-OD2 2.83Å; T86-D114 PolarHBondContact OG1-OD2 2.93Å; T86-L162 HydrophobicContact CG2-CD1 4.09Å; T86-L162 HydrophobicContact CG2-CD2 3.61Å; T86-L162 HydrophobicContact CG2-CG 4.44Å
87	G	95.1	Very high	94.5	Very high	14 Å²	14	34 Å²	34	14%	0.144	20%	0.2	C	C	.	.	S	Bend	trans	82.6	-8.9	-169.1	0	0	0	0	0	115.2	L89 T90	G87-L89 PolarHBondContact O-N 2.6Å; G87-T90 WeakPolarHBondContact O-CB 3.39Å; G87-T90 PolarHBondContact O-N 2.93Å; G87-T90 PolarHBondContact O-OG1 3.2Å
88	L	95.4	Very high	94.4	Very high	88 Å²	88	36.6 Å²	36.6	46%	0.461	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-18	-178.4	-64.1	175.7	0	0	0	113.8	T86 L110 Q111	T86-L88 VanDerWaalsContact C-N 3.29Å; T86-L88 WeakPolarHBondContact OG1-CB 3.49Å; T86-L88 WeakPolarHBondContact OG1-CG 3.49Å; T86-L88 PolarHBondContact OG1-N 2.93Å; T86-L88 VanDerWaalsContact OG1-N 3.1Å; L88-L110 HydrophobicContact CD1-CB 3.61Å; L88-Q111 HydrophobicContact CD1-CB 4.2Å
89	L	93	Very high	94.2	Very high	25 Å²	25	40.6 Å²	40.6	13%	0.131	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-10.9	175.5	-56.9	-171.9	0	0	0	113.2	E83 G87 D114	E83-L89 HydrophobicContact CB-CB 4.26Å; E83-L89 HydrophobicContact CB-CD1 4.33Å; E83-L89 HydrophobicContact CG-CD1 3.96Å; G87-L89 PolarHBondContact O-N 2.6Å; L89-D114 HydrophobicContact CD1-CB 3.85Å; L89-D114 HydrophobicContact CD2-CB 4.49Å; L89-D114 HydrophobicContact CG-CB 4Å
90	T	87.9	Confident	94	Very high	31 Å²	31	40.8 Å²	40.8	19%	0.19	24%	0.242	C	C	.	.			trans	-94.6	123.3	-165.4	-45	0	0	0	0	111.4	E82 G87 A95	E82-T90 HydrophobicContact CG-CG2 4.08Å; E82-T90 VanDerWaalsContact CG-OG1 3.24Å; E82-T90 WeakPolarHBondContact CG-OG1 3.39Å; E82-T90 WeakPolarHBondContact OE1-CB 3.24Å; E82-T90 PolarHBondContact OE1-OG1 2.9Å; G87-T90 WeakPolarHBondContact O-CB 3.39Å; G87-T90 PolarHBondContact O-N 2.93Å; G87-T90 PolarHBondContact O-OG1 3.2Å; T90-A95 HydrophobicContact CG2-CB 3.59Å
91	N	86.3	Confident	93.6	Very high	154 Å²	154	44.2 Å²	44.2	82%	0.824	26%	0.259	S	S	*	.			trans	-131.8	20.7	-176.1	69.7	-10.4	0	0	0	113.8
92	H	87.8	Confident	93.4	Very high	44 Å²	44	46.1 Å²	46.1	20%	0.204	27%	0.268	C	S	.	.	S	Bend	trans	-134.8	155.6	-175.8	65	76.8	0	0	0	112.2	A81 P321	A81-H92 PolarHBondContact O-CE1 3.37Å; H92-P321 HydrophobicContact CB-CB 4.04Å; H92-P321 HydrophobicContact CB-CG 4.47Å
93	E	83.6	Confident	93.1	Very high	179 Å²	179	55.8 Å²	55.8	84%	0.836	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	151.9	166.9	-63	173.8	-176.4	0	0	110.2	P321	E93-P321 WeakPolarHBondContact O-CD 3.38Å; E93-P321 WeakPolarHBondContact O-CG 3.34Å
94	G	87.9	Confident	92.8	Very high	35 Å²	35	60 Å²	60	36%	0.361	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	21.4	-173.5	0	0	0	0	0	114.9	A80 A81	A80-G94 WeakPolarHBondContact CA-O 3.41Å; A80-G94 WeakPolarHBondContact CB-O 3.48Å; A81-G94 PolarHBondContact N-O 2.94Å
95	A	94.1	Very high	92.8	Very high	33 Å²	33	60.9 Å²	60.9	27%	0.273	33%	0.331	S	S	.	.			trans	-57	161.8	156.8	0	0	0	0	0	111.4	T90	T90-A95 HydrophobicContact CG2-CB 3.59Å
96	V	97.3	Very high	92.7	Very high	16 Å²	16	63 Å²	63	10%	0.097	35%	0.346	C	S	.	.			trans	-86.9	-35.7	179.2	-179.6	0	0	0	0	111.1	A80 E82 I121 Q123 T136 L170	A80-V96 HydrophobicContact CB-CG2 3.94Å; E82-V96 HydrophobicContact CB-CB 4.14Å; E82-V96 HydrophobicContact CB-CG2 3.86Å; E82-V96 WeakPolarHBondContact OE2-CA 3.38Å; E82-V96 PolarHBondContact OE2-N 3.14Å; V96-I121 HydrophobicContact CB-CG2 4.37Å; V96-I121 HydrophobicContact CG1-CG2 4.17Å; V96-I121 HydrophobicContact CG2-CB 4.39Å; V96-I121 HydrophobicContact CG2-CG2 3.99Å; V96-Q123 HydrophobicContact CG1-CB 4.28Å; V96-Q123 HydrophobicContact CG2-CB 4.22Å; V96-T136 HydrophobicContact CG1-CG2 4.05Å; V96-L170 HydrophobicContact CG1-CD2 3.73Å
97	G	95.8	Very high	92.5	Very high	15 Å²	15	66.7 Å²	66.7	16%	0.155	37%	0.372	C	S	.	.			trans	68.5	-164.8	179.1	0	0	0	0	0	113.2	E82 R166	E82-G97 PolarHBondContact OE2-N 3.4Å; G97-R166 VanDerWaalsContact C-NH1 3.35Å; G97-R166 VanDerWaalsContact O-CZ 3.26Å; G97-R166 PolarHBondContact O-NH1 3.32Å
98	C	95.4	Very high	92.6	Very high	62 Å²	62	72.2 Å²	72.2	42%	0.419	39%	0.394	S	S	.	.			trans	58	69.2	-170.4	-61.7	0	0	0	0	112.6	R166 L170	C98-R166 VanDerWaalsContact C-NH1 3.28Å; C98-R166 WeakPolarHBondContact O-CD 3.46Å; C98-R166 PolarHBondContact O-NH1 2.86Å; C98-L170 HydrophobicContact CB-CD2 3.84Å; C98-L170 HydrophobicContact CB-CG 4.17Å
99	Y	95.4	Very high	92.6	Very high	84 Å²	84	71.1 Å²	71.1	33%	0.329	39%	0.387	S	S	.	.			trans	-74.3	-39.8	-177.2	-53.5	-69.4	0	0	0	113.2	E82 T86 H102 R166	E82-Y99 WeakPolarHBondContact OE1-CE1 3.47Å; E82-Y99 PolarHBondContact OE1-OH 2.67Å; T86-Y99 VanDerWaalsContact O-CD1 3.29Å; T86-Y99 WeakPolarHBondContact O-CD1 3.39Å; Y99-H102 PolarHBondContact O-NE2 2.79Å; Y99-R166 VanDerWaalsContact CE1-NH1 3.31Å
100	G	92.9	Very high	92.8	Very high	46 Å²	46	70.7 Å²	70.7	47%	0.474	39%	0.385	S	S	.	.			trans	101.1	-159	-177	0	0	0	0	0	112.5	A169	G100-A169 VanDerWaalsContact CA-CB 3.46Å
101	D	90.9	Very high	93.2	Very high	80 Å²	80	72.3 Å²	72.3	43%	0.428	39%	0.39	S	S	.	.			trans	-94.3	126	172.8	-173.1	0.5	0	0	0	109.8	R103	D101-R103 WeakPolarHBondContact OD1-CB 3.37Å; D101-R103 WeakPolarHBondContact OD1-CG 3.48Å; D101-R103 PolarHBondContact OD1-N 2.98Å; D101-R103 IonicContact OD1-NE 2.65Å; D101-R103 PolarHBondContact OD1-NE 2.78Å; D101-R103 IonicContact OD2-CZ 3.15Å; D101-R103 IonicContact OD2-NE 2.76Å; D101-R103 PolarHBondContact OD2-NE 2.82Å; D101-R103 IonicContact OD2-NH2 3.36Å; D101-R103 PolarHBondContact OD2-NH2 3.12Å
102	H	92.9	Very high	93.6	Very high	39 Å²	39	69.9 Å²	69.9	18%	0.181	38%	0.377	C	S	.	.			trans	-114.7	10.3	178.6	-64	166.9	0	0	0	113.3	Y99 D104 F105 L110	Y99-H102 PolarHBondContact O-NE2 2.79Å; H102-D104 PolarHBondContact O-N 2.85Å; H102-F105 HydrophobicContact CB-CD2 4.41Å; H102-F105 PolarHBondContact O-N 2.87Å; H102-L110 HydrophobicContact CB-CD1 4.09Å; H102-L110 HydrophobicContact CB-CD2 4.36Å
103	R	92.4	Very high	94.1	Very high	203 Å²	203	68 Å²	68	77%	0.766	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-24.3	-175.8	-75.5	177.3	-56.4	131.7	10.4	114.9	D101 F105	D101-R103 WeakPolarHBondContact OD1-CB 3.37Å; D101-R103 WeakPolarHBondContact OD1-CG 3.48Å; D101-R103 PolarHBondContact OD1-N 2.98Å; D101-R103 IonicContact OD1-NE 2.65Å; D101-R103 PolarHBondContact OD1-NE 2.78Å; D101-R103 IonicContact OD2-CZ 3.15Å; D101-R103 IonicContact OD2-NE 2.76Å; D101-R103 PolarHBondContact OD2-NE 2.82Å; D101-R103 IonicContact OD2-NH2 3.36Å; D101-R103 PolarHBondContact OD2-NH2 3.12Å; R103-F105 VanDerWaalsContact C-N 3.3Å; R103-F105 PolarHBondContact O-N 3.18Å
104	D	92.3	Very high	94.7	Very high	103 Å²	103	59.5 Å²	59.5	55%	0.551	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	6.7	179.8	-62.7	-14.4	0	0	0	114.1	H102 K161	H102-D104 PolarHBondContact O-N 2.85Å; D104-K161 WeakPolarHBondContact OD2-CE 3.19Å; D104-K161 IonicContact OD2-NZ 2.85Å; D104-K161 PolarHBondContact OD2-NZ 3.13Å
105	F	96.3	Very high	95.1	Very high	19 Å²	19	59.7 Å²	59.7	8%	0.083	32%	0.321	C	S	.	.	S	Bend	trans	-127.6	141.1	179.6	-56.2	-89.8	0	0	0	111.2	H102 R103 L110 L113 Q158 K161 L162	H102-F105 HydrophobicContact CB-CD2 4.41Å; H102-F105 PolarHBondContact O-N 2.87Å; R103-F105 VanDerWaalsContact C-N 3.3Å; R103-F105 PolarHBondContact O-N 3.18Å; F105-L110 HydrophobicContact CB-CD1 4.39Å; F105-L110 HydrophobicContact CB-CD2 3.74Å; F105-L110 HydrophobicContact CB-CG 3.79Å; F105-L110 HydrophobicContact CD1-CD2 4.49Å; F105-L110 HydrophobicContact CD2-CD2 4.17Å; F105-L110 HydrophobicContact CG-CD2 3.91Å; F105-L110 HydrophobicContact CG-CG 4.5Å; F105-L113 HydrophobicContact CD1-CD1 4.22Å; F105-L113 HydrophobicContact CE1-CD1 4.19Å; F105-Q158 HydrophobicContact CE1-CB 4.19Å; F105-K161 HydrophobicContact CE2-CD 4.42Å; F105-K161 HydrophobicContact CE2-CG 4.43Å; F105-K161 HydrophobicContact CZ-CB 4Å; F105-K161 HydrophobicContact CZ-CD 3.87Å; F105-K161 HydrophobicContact CZ-CG 3.8Å; F105-L162 HydrophobicContact CE1-CB 4.31Å; F105-L162 HydrophobicContact CZ-CB 3.94Å
106	S	96.6	Very high	95.2	Very high	45 Å²	45	58.9 Å²	58.9	32%	0.315	31%	0.312	S	S	.	.			trans	-72.8	155.4	164.6	58.8	0	0	0	0	111.9	E108 E109 L110	S106-E108 PolarHBondContact O-N 3.42Å; S106-E109 WeakPolarHBondContact CB-OE2 3.25Å; S106-E109 PolarHBondContact N-OE2 3.16Å; S106-E109 PolarHBondContact O-N 3.4Å; S106-E109 VanDerWaalsContact O-N 3.15Å; S106-E109 WeakPolarHBondContact OG-CB 3.43Å; S106-E109 WeakPolarHBondContact OG-CG 3.45Å; S106-E109 PolarHBondContact OG-N 3.33Å; S106-E109 PolarHBondContact OG-OE2 2.97Å; S106-L110 WeakPolarHBondContact O-CG 3.46Å; S106-L110 PolarHBondContact O-N 3.44Å
107	S	94.3	Very high	95.2	Very high	85 Å²	85	58.1 Å²	58.1	59%	0.594	31%	0.307	S	S	*	.	H	α-helix	trans	-57.1	-36.2	174.2	-60.8	0	0	0	0	111.9	Q111	S107-Q111 WeakPolarHBondContact O-CB 3.39Å; S107-Q111 PolarHBondContact O-N 2.79Å
108	E	95.5	Very high	95.4	Very high	131 Å²	131	57.6 Å²	57.6	61%	0.612	30%	0.3	S	S	*	.	H	α-helix	trans	-65.9	-43.9	176.6	-66.4	71	-161.1	0	0	111.7	S106 Q111 L112	S106-E108 PolarHBondContact O-N 3.42Å; E108-Q111 PolarHBondContact O-N 2.86Å; E108-L112 WeakPolarHBondContact O-CB 3.49Å; E108-L112 WeakPolarHBondContact O-CG 3.14Å; E108-L112 PolarHBondContact O-N 3.01Å
109	E	96.2	Very high	95.5	Very high	65 Å²	65	54.6 Å²	54.6	30%	0.304	28%	0.28	S	S	.	.	H	α-helix	trans	-63.4	-46.9	174.3	-79.5	168.3	110	0	0	112.1	S106 Q111 L112 L113 Q158	S106-E109 WeakPolarHBondContact CB-OE2 3.25Å; S106-E109 PolarHBondContact N-OE2 3.16Å; S106-E109 PolarHBondContact O-N 3.4Å; S106-E109 VanDerWaalsContact O-N 3.15Å; S106-E109 WeakPolarHBondContact OG-CB 3.43Å; S106-E109 WeakPolarHBondContact OG-CG 3.45Å; S106-E109 PolarHBondContact OG-N 3.33Å; S106-E109 PolarHBondContact OG-OE2 2.97Å; E109-Q111 VanDerWaalsContact C-N 3.31Å; E109-Q111 PolarHBondContact O-N 3.4Å; E109-L112 PolarHBondContact O-N 2.91Å; E109-L112 VanDerWaalsContact O-N 3.14Å; E109-L113 WeakPolarHBondContact O-CB 3.35Å; E109-L113 VanDerWaalsContact O-CG 3.25Å; E109-L113 WeakPolarHBondContact O-CG 3.25Å; E109-L113 PolarHBondContact O-N 2.87Å; E109-Q158 PolarHBondContact OE1-NE2 3.34Å
110	L	96.8	Very high	95.7	Very high	16 Å²	16	50.6 Å²	50.6	8%	0.084	27%	0.265	C	S	.	.	H	α-helix	trans	-55.9	-47.8	176.9	-68.1	172.5	0	0	0	110.8	T86 L88 H102 F105 S106 L112 L113 D114 L162	T86-L110 HydrophobicContact CG2-CB 3.88Å; T86-L110 HydrophobicContact CG2-CD2 3.77Å; T86-L110 HydrophobicContact CG2-CG 4.4Å; L88-L110 HydrophobicContact CD1-CB 3.61Å; H102-L110 HydrophobicContact CB-CD1 4.09Å; H102-L110 HydrophobicContact CB-CD2 4.36Å; F105-L110 HydrophobicContact CB-CD1 4.39Å; F105-L110 HydrophobicContact CB-CD2 3.74Å; F105-L110 HydrophobicContact CB-CG 3.79Å; F105-L110 HydrophobicContact CD1-CD2 4.49Å; F105-L110 HydrophobicContact CD2-CD2 4.17Å; F105-L110 HydrophobicContact CG-CD2 3.91Å; F105-L110 HydrophobicContact CG-CG 4.5Å; S106-L110 WeakPolarHBondContact O-CG 3.46Å; S106-L110 PolarHBondContact O-N 3.44Å; L110-L112 PolarHBondContact O-N 3.14Å; L110-L113 PolarHBondContact O-N 2.85Å; L110-D114 PolarHBondContact O-N 2.8Å; L110-L162 HydrophobicContact CD2-CD1 4.03Å
111	Q	96	Very high	96	Very high	65 Å²	65	48.4 Å²	48.4	30%	0.304	24%	0.242	S	C	.	.	H	α-helix	trans	-63.6	-38.3	177.6	-172.2	64.4	76.5	0	0	112.4	L88 S107 E108 E109 N115	L88-Q111 HydrophobicContact CD1-CB 4.2Å; S107-Q111 WeakPolarHBondContact O-CB 3.39Å; S107-Q111 PolarHBondContact O-N 2.79Å; E108-Q111 PolarHBondContact O-N 2.86Å; E109-Q111 VanDerWaalsContact C-N 3.31Å; E109-Q111 PolarHBondContact O-N 3.4Å; Q111-N115 PolarHBondContact NE2-OD1 2.75Å; Q111-N115 WeakPolarHBondContact O-CB 3.31Å; Q111-N115 PolarHBondContact O-N 2.82Å; Q111-N115 PolarHBondContact O-ND2 3.17Å; Q111-N115 PolarHBondContact O-OD1 2.84Å
112	L	96.1	Very high	96.3	Very high	103 Å²	103	44.6 Å²	44.6	54%	0.539	22%	0.222	S	C	.	.	H	α-helix	trans	-69.5	-37.1	177.6	-76.3	168.8	0	0	0	113.1	E108 E109 L110 F155	E108-L112 WeakPolarHBondContact O-CB 3.49Å; E108-L112 WeakPolarHBondContact O-CG 3.14Å; E108-L112 PolarHBondContact O-N 3.01Å; E109-L112 PolarHBondContact O-N 2.91Å; E109-L112 VanDerWaalsContact O-N 3.14Å; L110-L112 PolarHBondContact O-N 3.14Å; L112-F155 HydrophobicContact CB-CE2 4.41Å
113	L	96.9	Very high	96.6	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-64.2	-46.1	179.5	-73.2	165.4	0	0	0	111.5	F105 E109 L110 F155 Q158 F159 L162	F105-L113 HydrophobicContact CD1-CD1 4.22Å; F105-L113 HydrophobicContact CE1-CD1 4.19Å; E109-L113 WeakPolarHBondContact O-CB 3.35Å; E109-L113 VanDerWaalsContact O-CG 3.25Å; E109-L113 WeakPolarHBondContact O-CG 3.25Å; E109-L113 PolarHBondContact O-N 2.87Å; L110-L113 PolarHBondContact O-N 2.85Å; L113-F155 HydrophobicContact CD2-CD2 3.99Å; L113-F155 HydrophobicContact CD2-CE1 4.47Å; L113-F155 HydrophobicContact CD2-CE2 3.8Å; L113-F155 HydrophobicContact CD2-CG 4.41Å; L113-F155 HydrophobicContact CD2-CZ 4.06Å; L113-F155 HydrophobicContact CG-CE2 4.3Å; L113-Q158 HydrophobicContact CD1-CB 4.19Å; L113-Q158 HydrophobicContact CD2-CB 4.13Å; L113-F159 HydrophobicContact CD2-CB 3.86Å; L113-F159 HydrophobicContact CD2-CD2 4.19Å; L113-L162 HydrophobicContact CB-CD2 3.9Å; L113-L162 HydrophobicContact CD1-CB 4.43Å; L113-L162 HydrophobicContact CD1-CD2 3.74Å; L113-L162 HydrophobicContact CG-CD2 4.42Å
114	D	96.7	Very high	96.9	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-77	-30.5	178.2	-86.8	-8.2	0	0	0	113.2	G84 L85 T86 L89 L110 E116 G117	G84-D114 VanDerWaalsContact CA-CG 3.46Å; G84-D114 VanDerWaalsContact CA-OD1 3.25Å; G84-D114 WeakPolarHBondContact CA-OD1 3.46Å; G84-D114 WeakPolarHBondContact CA-OD2 3.44Å; L85-D114 VanDerWaalsContact N-CG 3.33Å; L85-D114 PolarHBondContact N-OD1 3.17Å; L85-D114 PolarHBondContact N-OD2 2.98Å; L85-D114 VanDerWaalsContact N-OD2 3.1Å; T86-D114 VanDerWaalsContact CB-OD2 3.27Å; T86-D114 WeakPolarHBondContact CB-OD2 3.48Å; T86-D114 VanDerWaalsContact CG2-OD2 3.31Å; T86-D114 WeakPolarHBondContact CG2-OD2 3.24Å; T86-D114 PolarHBondContact N-OD2 2.83Å; T86-D114 PolarHBondContact OG1-OD2 2.93Å; L89-D114 HydrophobicContact CD1-CB 3.85Å; L89-D114 HydrophobicContact CD2-CB 4.49Å; L89-D114 HydrophobicContact CG-CB 4Å; L110-D114 PolarHBondContact O-N 2.8Å; D114-E116 PolarHBondContact O-N 2.98Å; D114-E116 VanDerWaalsContact O-N 3.07Å; D114-G117 PolarHBondContact O-N 3.21Å
115	N	96.6	Very high	97.2	Very high	40 Å²	40	32.5 Å²	32.5	21%	0.214	17%	0.169	C	C	.	.	H	α-helix	trans	-58.9	-23.1	-179.3	-88.6	-13.9	0	0	0	114.6	R60 Q111 G117	R60-N115 HydrophobicContact CB-CB 4.33Å; R60-N115 WeakPolarHBondContact CD-OD1 3.05Å; R60-N115 PolarHBondContact N-O 2.78Å; Q111-N115 PolarHBondContact NE2-OD1 2.75Å; Q111-N115 WeakPolarHBondContact O-CB 3.31Å; Q111-N115 PolarHBondContact O-N 2.82Å; Q111-N115 PolarHBondContact O-ND2 3.17Å; Q111-N115 PolarHBondContact O-OD1 2.84Å; N115-G117 PolarHBondContact O-N 2.87Å
116	E	96.7	Very high	97.2	Very high	16 Å²	16	31.6 Å²	31.6	8%	0.075	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-0.2	175.9	-70.7	-155.8	160.5	0	0	114.1	R62 Y65 S66 D114 R118 R152 F155	R62-E116 IonicContact CZ-OE1 3.24Å; R62-E116 IonicContact NH1-OE1 2.78Å; R62-E116 PolarHBondContact NH1-OE1 3.11Å; Y65-E116 HydrophobicContact CE1-CB 4.48Å; Y65-E116 HydrophobicContact CE1-CG 4.31Å; Y65-E116 PolarHBondContact OH-OE2 3.15Å; S66-E116 WeakPolarHBondContact CB-O 3.41Å; S66-E116 PolarHBondContact OG-O 3.28Å; D114-E116 PolarHBondContact O-N 2.98Å; D114-E116 VanDerWaalsContact O-N 3.07Å; E116-R118 HydrophobicContact CB-CG 3.84Å; E116-R118 IonicContact OE2-CZ 3.82Å; E116-R118 VanDerWaalsContact OE2-CZ 3.24Å; E116-R118 IonicContact OE2-NE 2.95Å; E116-R118 PolarHBondContact OE2-NE 2.91Å; E116-R118 IonicContact OE2-NH2 3.76Å; E116-R118 PolarHBondContact OE2-NH2 3.11Å; E116-R152 IonicContact OE1-CZ 3.51Å; E116-R152 IonicContact OE1-NH1 3.17Å; E116-R152 PolarHBondContact OE1-NH1 3.41Å; E116-R152 IonicContact OE1-NH2 2.76Å; E116-R152 PolarHBondContact OE1-NH2 2.94Å; E116-R152 IonicContact OE2-CZ 2.71Å; E116-R152 IonicContact OE2-NH1 3.33Å; E116-R152 IonicContact OE2-NH2 3.39Å; E116-R152 PolarHBondContact OE2-NH2 3.04Å; E116-F155 HydrophobicContact CB-CZ 4.45Å; E116-F155 HydrophobicContact CG-CE1 4.29Å; E116-F155 HydrophobicContact CG-CZ 3.92Å; E116-F155 WeakPolarHBondContact OE2-CE1 3.4Å
117	G	97.3	Very high	97.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.164	C	C	.	.			trans	69.8	44.9	173.1	0	0	0	0	0	113.1	S57 Y58 G67 V68 D114 N115	S57-G117 WeakPolarHBondContact OG-CA 3.28Å; Y58-G117 WeakPolarHBondContact O-CA 3.34Å; G67-G117 CarbonylContact C-O 3.59Å; G67-G117 WeakPolarHBondContact CA-O 3.43Å; G67-G117 PolarHBondContact N-O 3.37Å; V68-G117 PolarHBondContact N-O 3.4Å; D114-G117 PolarHBondContact O-N 3.21Å; N115-G117 PolarHBondContact O-N 2.87Å
118	R	98.5	Very high	97	Very high	3 Å²	3	28.2 Å²	28.2	1%	0.011	14%	0.136	C	C	.	.			trans	-106.4	-11.3	-162.8	-72.3	-172.6	173	-70.4	-12	115.6	Y65 E116 V140 Y141 C142 F159	Y65-R118 PolarHBondContact OH-NH2 2.83Å; E116-R118 HydrophobicContact CB-CG 3.84Å; E116-R118 IonicContact OE2-CZ 3.82Å; E116-R118 VanDerWaalsContact OE2-CZ 3.24Å; E116-R118 IonicContact OE2-NE 2.95Å; E116-R118 PolarHBondContact OE2-NE 2.91Å; E116-R118 IonicContact OE2-NH2 3.76Å; E116-R118 PolarHBondContact OE2-NH2 3.11Å; R118-V140 CarbonylContact O-C 3.5Å; R118-V140 WeakPolarHBondContact O-CA 3.39Å; R118-Y141 WeakPolarHBondContact CB-O 3.23Å; R118-Y141 WeakPolarHBondContact CD-O 3.4Å; R118-Y141 WeakPolarHBondContact CG-O 3.32Å; R118-Y141 PolarHBondContact NH1-O 2.87Å; R118-Y141 PolarHBondContact O-N 2.71Å; R118-C142 PolarHBondContact NH1-O 2.86Å; R118-F159 HydrophobicContact CB-CE2 3.58Å; R118-F159 HydrophobicContact CB-CZ 3.62Å; R118-F159 HydrophobicContact CG-CE2 4.4Å
119	A	98.7	Very high	96.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	136.3	-178.5	0	0	0	0	0	110.7	S57 G84 L85 N139	S57-A119 VanDerWaalsContact CB-O 3.22Å; S57-A119 WeakPolarHBondContact CB-O 3.24Å; S57-A119 PolarHBondContact OG-O 3Å; G84-A119 PolarHBondContact N-O 2.69Å; L85-A119 HydrophobicContact CD1-CB 4.46Å; L85-A119 HydrophobicContact CD2-CB 3.66Å; L85-A119 HydrophobicContact CG-CB 3.7Å; A119-N139 WeakPolarHBondContact CA-O 3.27Å
120	V	98.8	Very high	96	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	132.9	165.1	66.1	0	0	0	0	108.4	V68 T70 N139 L322	V68-V120 HydrophobicContact CB-CG1 4.34Å; V68-V120 HydrophobicContact CG2-CB 3.99Å; V68-V120 HydrophobicContact CG2-CG1 3.73Å; T70-V120 WeakPolarHBondContact OG1-CG1 3.31Å; V120-N139 HydrophobicContact CG1-CB 3.9Å; V120-N139 PolarHBondContact N-O 3.03Å; V120-N139 WeakPolarHBondContact O-CB 3.27Å; V120-N139 PolarHBondContact O-N 2.95Å; V120-L322 HydrophobicContact CG2-CD2 4.21Å
121	I	98.9	Very high	95.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136.4	-173.1	-51.9	-175.6	0	0	0	108.4	A81 E82 G84 L85 V96 T136 V137 I138 R166	A81-I121 CarbonylContact C-O 3.57Å; A81-I121 WeakPolarHBondContact CA-O 3.22Å; E82-I121 HydrophobicContact CB-CB 4.47Å; E82-I121 PolarHBondContact N-O 2.93Å; E82-I121 PolarHBondContact O-N 2.73Å; G84-I121 WeakPolarHBondContact O-CD1 3.17Å; L85-I121 HydrophobicContact CD2-CD1 4.39Å; V96-I121 HydrophobicContact CB-CG2 4.37Å; V96-I121 HydrophobicContact CG1-CG2 4.17Å; V96-I121 HydrophobicContact CG2-CB 4.39Å; V96-I121 HydrophobicContact CG2-CG2 3.99Å; I121-T136 HydrophobicContact CG2-CG2 3.31Å; I121-V137 WeakPolarHBondContact CA-O 3.49Å; I121-I138 HydrophobicContact CD1-CG1 4.48Å; I121-I138 HydrophobicContact CD1-CG2 4.42Å; I121-I138 HydrophobicContact CG1-CG1 4.46Å; I121-I138 HydrophobicContact CG1-CG2 4.13Å; I121-I138 HydrophobicContact CG2-CG1 4.35Å; I121-R166 HydrophobicContact CD1-CG 4.26Å; I121-R166 VanDerWaalsContact CD1-NE 3.34Å
122	T	98.8	Very high	95.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	128	171.2	57	0	0	0	0	109.4	Y55 T70 P78 A81 H124 V137	Y55-T122 HydrophobicContact CD2-CG2 3.69Å; Y55-T122 HydrophobicContact CE2-CG2 4.34Å; Y55-T122 HydrophobicContact CG-CG2 3.92Å; T70-T122 HydrophobicContact CG2-CG2 3.93Å; P78-T122 HydrophobicContact CG-CG2 4.41Å; A81-T122 HydrophobicContact CB-CG2 4.15Å; T122-H124 WeakPolarHBondContact CB-NE2 3.46Å; T122-H124 PolarHBondContact O-CD2 3.14Å; T122-H124 PolarHBondContact OG1-NE2 2.71Å; T122-V137 PolarHBondContact N-O 3.47Å; T122-V137 PolarHBondContact O-N 2.85Å
123	Q	98.6	Very high	95.9	Very high	36 Å²	36	35.1 Å²	35.1	17%	0.168	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	133	178.5	-176.7	175.8	90.4	0	0	110.1	P78 S79 A80 V96 T134 T136	P78-Q123 CarbonylContact C-O 3.53Å; P78-Q123 VanDerWaalsContact CA-O 3.24Å; P78-Q123 WeakPolarHBondContact CA-O 3.43Å; P78-Q123 WeakPolarHBondContact CB-O 3.39Å; S79-Q123 PolarHBondContact N-O 2.98Å; S79-Q123 PolarHBondContact OG-O 2.69Å; A80-Q123 HydrophobicContact CB-CB 4.21Å; A80-Q123 PolarHBondContact O-N 2.75Å; V96-Q123 HydrophobicContact CG1-CB 4.28Å; V96-Q123 HydrophobicContact CG2-CB 4.22Å; Q123-T134 HydrophobicContact CG-CG2 3.38Å; Q123-T136 PolarHBondContact NE2-OG1 3.05Å; Q123-T136 VanDerWaalsContact NE2-OG1 3.11Å
124	H	98.6	Very high	96	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	157.7	-171.9	-60.2	-97.2	0	0	0	110.6	I29 A76 T122 T134 V135 L313	I29-H124 VanDerWaalsContact CD1-CE1 3.41Å; I29-H124 WeakPolarHBondContact CD1-CE1 3.26Å; A76-H124 PolarHBondContact O-CE1 3.12Å; A76-H124 VanDerWaalsContact O-CE1 3.26Å; A76-H124 PolarHBondContact O-ND1 2.94Å; T122-H124 WeakPolarHBondContact CB-NE2 3.46Å; T122-H124 PolarHBondContact O-CD2 3.14Å; T122-H124 PolarHBondContact OG1-NE2 2.71Å; H124-T134 WeakPolarHBondContact O-CA 3.42Å; H124-V135 HydrophobicContact CB-CG1 3.92Å; H124-V135 PolarHBondContact N-O 3.29Å; H124-V135 PolarHBondContact O-N 2.59Å; H124-L313 HydrophobicContact CB-CD2 4.13Å
125	K	98.1	Very high	96.1	Very high	53 Å²	53	36.4 Å²	36.4	23%	0.23	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	136.4	168.4	-66.4	-59	-163.6	155.4	0	109.7	E132 T134 L314	K125-E132 HydrophobicContact CD-CG 4.26Å; K125-E132 VanDerWaalsContact CD-OE1 3.31Å; K125-E132 WeakPolarHBondContact CD-OE1 3.38Å; K125-E132 WeakPolarHBondContact CE-OE1 3.36Å; K125-E132 IonicContact NZ-OE1 2.72Å; K125-E132 PolarHBondContact NZ-OE1 2.82Å; K125-T134 PolarHBondContact NZ-OG1 2.98Å; K125-L314 HydrophobicContact CB-CB 3.85Å; K125-L314 HydrophobicContact CB-CD1 4.44Å; K125-L314 PolarHBondContact O-N 3.29Å
126	I	97.1	Very high	96.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	148.3	178.8	53.5	172.5	0	0	0	110.5	M1 C128 Q133 V135 L283 C311 S312 L313	M1-I126 HydrophobicContact CE-CG2 4.35Å; M1-I126 HydrophobicContact SD-CG2 4.45Å; I126-C128 VanDerWaalsContact CD1-SG 3.58Å; I126-Q133 HydrophobicContact CG1-CB 4.08Å; I126-Q133 WeakPolarHBondContact CG1-O 3.42Å; I126-Q133 PolarHBondContact N-O 3.18Å; I126-Q133 PolarHBondContact O-N 3.39Å; I126-V135 HydrophobicContact CD1-CB 3.87Å; I126-V135 HydrophobicContact CD1-CG1 3.85Å; I126-V135 HydrophobicContact CG1-CB 4.34Å; I126-V135 HydrophobicContact CG1-CG1 4.05Å; I126-V135 HydrophobicContact CG2-CG1 3.78Å; I126-L283 HydrophobicContact CD1-CD1 4.21Å; I126-C311 HydrophobicContact CB-CB 4.33Å; I126-S312 CarbonylContact C-O 3.49Å; I126-S312 VanDerWaalsContact CA-O 3.26Å; I126-S312 WeakPolarHBondContact CA-O 3.33Å; I126-L313 HydrophobicContact CG2-CD2 4.08Å
127	M	96.1	Very high	96.3	Very high	57 Å²	57	33.8 Å²	33.8	28%	0.281	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	116.2	172.4	-167.5	100.2	-77.6	0	0	108.9	T131 E132 C311 S312 L314	M127-T131 WeakPolarHBondContact CE-O 3.23Å; M127-E132 HydrophobicContact CE-CB 4.13Å; M127-E132 VanDerWaalsContact CE-N 3.33Å; M127-C311 VanDerWaalsContact O-CB 3.31Å; M127-C311 WeakPolarHBondContact O-CB 3.35Å; M127-S312 WeakPolarHBondContact CB-OG 3.47Å; M127-S312 PolarHBondContact N-O 2.89Å; M127-L314 HydrophobicContact CB-CD1 4.23Å; M127-L314 HydrophobicContact CB-CD2 4.43Å; M127-L314 HydrophobicContact CB-CG 4.38Å; M127-L314 HydrophobicContact CE-CD1 4.28Å
128	C	90.1	Very high	96.4	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.014	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	108.1	179.6	-67.2	0	0	0	0	108.6	I126 D130 T131 Q133	I126-C128 VanDerWaalsContact CD1-SG 3.58Å; C128-D130 PolarHBondContact O-N 3.17Å; C128-T131 PolarHBondContact N-O 2.8Å; C128-T131 WeakPolarHBondContact O-CB 3.45Å; C128-T131 PolarHBondContact O-N 3.04Å; C128-Q133 VanDerWaalsContact CB-CD 3.46Å; C128-Q133 HydrophobicContact CB-CG 4.2Å; C128-Q133 PolarHBondContact SG-OE1 3.41Å
129	Q	84.1	Confident	96.4	Very high	155 Å²	155	33.6 Å²	33.6	72%	0.724	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.9	56.3	-179.8	-58.1	176.2	6.1	0	0	111.6	T131	Q129-T131 PolarHBondContact O-N 2.76Å; Q129-T131 PolarHBondContact O-OG1 3.33Å
130	D	86.8	Confident	96.4	Very high	155 Å²	155	33.7 Å²	33.7	83%	0.829	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	5.6	-177.5	-51	-41.3	0	0	0	116.3	C128	C128-D130 PolarHBondContact O-N 3.17Å
131	T	93.8	Very high	96.4	Very high	81 Å²	81	34.6 Å²	34.6	50%	0.497	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	129.2	174.2	-53.9	0	0	0	0	110.4	M127 C128 Q129 Q133	M127-T131 WeakPolarHBondContact CE-O 3.23Å; C128-T131 PolarHBondContact N-O 2.8Å; C128-T131 WeakPolarHBondContact O-CB 3.45Å; C128-T131 PolarHBondContact O-N 3.04Å; Q129-T131 PolarHBondContact O-N 2.76Å; Q129-T131 PolarHBondContact O-OG1 3.33Å; T131-Q133 HydrophobicContact CG2-CG 4.35Å; T131-Q133 PolarHBondContact O-N 3.37Å
132	E	96.3	Very high	96.4	Very high	111 Å²	111	34.6 Å²	34.6	52%	0.519	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	126.3	170.5	-170.3	-165.8	109.6	0	0	109.5	K125 M127 L314	K125-E132 HydrophobicContact CD-CG 4.26Å; K125-E132 VanDerWaalsContact CD-OE1 3.31Å; K125-E132 WeakPolarHBondContact CD-OE1 3.38Å; K125-E132 WeakPolarHBondContact CE-OE1 3.36Å; K125-E132 IonicContact NZ-OE1 2.72Å; K125-E132 PolarHBondContact NZ-OE1 2.82Å; M127-E132 HydrophobicContact CE-CB 4.13Å; M127-E132 VanDerWaalsContact CE-N 3.33Å; E132-L314 HydrophobicContact CG-CD1 3.98Å
133	Q	97	Very high	96.3	Very high	24 Å²	24	34.6 Å²	34.6	11%	0.112	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	151.4	175.8	-63.7	177.1	-1.9	0	0	110.6	I126 C128 T131 H176	I126-Q133 HydrophobicContact CG1-CB 4.08Å; I126-Q133 WeakPolarHBondContact CG1-O 3.42Å; I126-Q133 PolarHBondContact N-O 3.18Å; I126-Q133 PolarHBondContact O-N 3.39Å; C128-Q133 VanDerWaalsContact CB-CD 3.46Å; C128-Q133 HydrophobicContact CB-CG 4.2Å; C128-Q133 PolarHBondContact SG-OE1 3.41Å; T131-Q133 HydrophobicContact CG2-CG 4.35Å; T131-Q133 PolarHBondContact O-N 3.37Å; Q133-H176 PolarHBondContact OE1-CD2 2.93Å; Q133-H176 PolarHBondContact OE1-NE2 3.05Å
134	T	98.1	Very high	96.1	Very high	29 Å²	29	41.1 Å²	41.1	18%	0.178	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	130.1	173.8	-52.7	0	0	0	0	108.9	Q123 H124 K125 S175 H176	Q123-T134 HydrophobicContact CG-CG2 3.38Å; H124-T134 WeakPolarHBondContact O-CA 3.42Å; K125-T134 PolarHBondContact NZ-OG1 2.98Å; T134-S175 PolarHBondContact O-OG 2.76Å; T134-H176 PolarHBondContact O-N 2.87Å
135	V	98.5	Very high	95.6	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	127.9	172.1	66.1	0	0	0	0	110.5	H124 I126 H176 I178 L283	H124-V135 HydrophobicContact CB-CG1 3.92Å; H124-V135 PolarHBondContact N-O 3.29Å; H124-V135 PolarHBondContact O-N 2.59Å; I126-V135 HydrophobicContact CD1-CB 3.87Å; I126-V135 HydrophobicContact CD1-CG1 3.85Å; I126-V135 HydrophobicContact CG1-CB 4.34Å; I126-V135 HydrophobicContact CG1-CG1 4.05Å; I126-V135 HydrophobicContact CG2-CG1 3.78Å; V135-H176 CarbonylContact C-O 3.48Å; V135-H176 WeakPolarHBondContact CA-O 3.33Å; V135-H176 HydrophobicContact CB-CB 4.27Å; V135-H176 HydrophobicContact CG2-CB 4.09Å; V135-I178 HydrophobicContact CG2-CD1 3.88Å; V135-I178 HydrophobicContact CG2-CG1 3.9Å; V135-L283 HydrophobicContact CG2-CD2 3.9Å
136	T	98.9	Very high	95.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	118.9	-179	-59.9	0	0	0	0	109.6	V96 I121 Q123 I138 L170 S175 H176 V177 I178	V96-T136 HydrophobicContact CG1-CG2 4.05Å; I121-T136 HydrophobicContact CG2-CG2 3.31Å; Q123-T136 PolarHBondContact NE2-OG1 3.05Å; Q123-T136 VanDerWaalsContact NE2-OG1 3.11Å; T136-I138 HydrophobicContact CG2-CG1 4.46Å; T136-L170 HydrophobicContact CG2-CD1 3.91Å; T136-L170 HydrophobicContact CG2-CD2 4.21Å; T136-S175 WeakPolarHBondContact CB-OG 3.29Å; T136-S175 PolarHBondContact N-OG 2.75Å; T136-S175 PolarHBondContact OG1-OG 3.35Å; T136-H176 PolarHBondContact N-O 3Å; T136-V177 WeakPolarHBondContact O-CA 3.46Å; T136-I178 PolarHBondContact O-N 3.1Å
137	V	98.9	Very high	94.3	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	117	177.8	-178.2	0	0	0	0	109	I29 I121 T122 I178 L180	I29-V137 HydrophobicContact CD1-CG2 4.48Å; I121-V137 WeakPolarHBondContact CA-O 3.49Å; T122-V137 PolarHBondContact N-O 3.47Å; T122-V137 PolarHBondContact O-N 2.85Å; V137-I178 CarbonylContact C-O 3.52Å; V137-I178 WeakPolarHBondContact CA-O 3.37Å; V137-I178 HydrophobicContact CG2-CB 4.44Å; V137-L180 HydrophobicContact CG1-CD1 4.27Å; V137-L180 HydrophobicContact CG1-CD2 3.89Å; V137-L180 HydrophobicContact CG1-CG 4.11Å
138	I	98.9	Very high	93.9	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	106.2	175.7	-47.3	-177.1	0	0	0	108	L85 I121 T136 V140 L163 A167 L170 V177 I178 I179 L180	L85-I138 HydrophobicContact CD2-CG2 4.05Å; I121-I138 HydrophobicContact CD1-CG1 4.48Å; I121-I138 HydrophobicContact CD1-CG2 4.42Å; I121-I138 HydrophobicContact CG1-CG1 4.46Å; I121-I138 HydrophobicContact CG1-CG2 4.13Å; I121-I138 HydrophobicContact CG2-CG1 4.35Å; T136-I138 HydrophobicContact CG2-CG1 4.46Å; I138-V140 HydrophobicContact CG2-CG1 3.63Å; I138-L163 HydrophobicContact CG2-CD1 3.98Å; I138-A167 HydrophobicContact CD1-CB 4.05Å; I138-L170 HydrophobicContact CD1-CD1 3.85Å; I138-L170 HydrophobicContact CG1-CD1 4.44Å; I138-V177 HydrophobicContact CD1-CG1 4.04Å; I138-V177 HydrophobicContact CG1-CG1 4.42Å; I138-I178 PolarHBondContact N-O 2.88Å; I138-I179 HydrophobicContact CB-CG1 4.41Å; I138-I179 HydrophobicContact CB-CG2 4.36Å; I138-I179 HydrophobicContact CD1-CD1 4.5Å; I138-I179 HydrophobicContact CD1-CG1 4.23Å; I138-I179 WeakPolarHBondContact O-CA 3.21Å; I138-L180 PolarHBondContact O-N 2.81Å
139	N	98.9	Very high	93.9	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	116.8	173.5	170.8	2	0	0	0	108.8	C31 Q33 A69 T70 A119 V120 L180	C31-N139 HydrophobicContact CB-CB 4.06Å; C31-N139 WeakPolarHBondContact CB-ND2 3.32Å; Q33-N139 PolarHBondContact NE2-OD1 3.48Å; A69-N139 VanDerWaalsContact C-ND2 3.29Å; A69-N139 PolarHBondContact O-ND2 3.47Å; T70-N139 WeakPolarHBondContact OG1-CB 3.23Å; T70-N139 PolarHBondContact OG1-ND2 3.44Å; A119-N139 WeakPolarHBondContact CA-O 3.27Å; V120-N139 HydrophobicContact CG1-CB 3.9Å; V120-N139 PolarHBondContact N-O 3.03Å; V120-N139 WeakPolarHBondContact O-CB 3.27Å; V120-N139 PolarHBondContact O-N 2.95Å; N139-L180 HydrophobicContact CB-CD1 4.25Å
140	V	98.9	Very high	94.2	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	141.9	-174.7	-60.6	0	0	0	0	113.7	Q33 R118 I138 L163 I179 L180 G181 D182	Q33-V140 WeakPolarHBondContact CG-O 3.48Å; R118-V140 CarbonylContact O-C 3.5Å; R118-V140 WeakPolarHBondContact O-CA 3.39Å; I138-V140 HydrophobicContact CG2-CG1 3.63Å; V140-L163 HydrophobicContact CG1-CD1 3.74Å; V140-L163 HydrophobicContact CG1-CD2 4.13Å; V140-L163 HydrophobicContact CG2-CD2 4.39Å; V140-I179 HydrophobicContact CG1-CG2 4.16Å; V140-I179 HydrophobicContact CG2-CG2 3.95Å; V140-L180 PolarHBondContact N-O 3.3Å; V140-G181 WeakPolarHBondContact O-CA 3.36Å; V140-D182 PolarHBondContact O-N 3.02Å
141	Y	98.8	Very high	94.5	Very high	19 Å²	19	50.8 Å²	50.8	8%	0.075	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	90.2	163.1	175.6	-124.4	0	0	0	108.1	Q33 E34 S66 V68 R118 D182	Q33-Y141 HydrophobicContact CB-CD2 4.09Å; Q33-Y141 HydrophobicContact CB-CG 4.33Å; E34-Y141 HydrophobicContact CB-CD2 4.4Å; E34-Y141 HydrophobicContact CB-CE1 4.35Å; E34-Y141 HydrophobicContact CB-CE2 4.01Å; E34-Y141 HydrophobicContact CG-CE1 3.94Å; E34-Y141 HydrophobicContact CG-CE2 4.1Å; E34-Y141 WeakPolarHBondContact CG-OH 3.3Å; E34-Y141 WeakPolarHBondContact OE2-CE2 3.38Å; E34-Y141 VanDerWaalsContact OE2-CZ 3.22Å; E34-Y141 PolarHBondContact OE2-OH 2.83Å; S66-Y141 WeakPolarHBondContact OG-CD1 3.28Å; V68-Y141 VanDerWaalsContact CG1-CB 3.47Å; R118-Y141 WeakPolarHBondContact CB-O 3.23Å; R118-Y141 WeakPolarHBondContact CD-O 3.4Å; R118-Y141 WeakPolarHBondContact CG-O 3.32Å; R118-Y141 PolarHBondContact NH1-O 2.87Å; R118-Y141 PolarHBondContact O-N 2.71Å; Y141-D182 HydrophobicContact CD2-CB 4.19Å; Y141-D182 WeakPolarHBondContact CE2-OD2 3.4Å
142	C	98.6	Very high	94.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-67.4	146.9	-173.8	-70	0	0	0	0	111.5	R118 R144 F159 Y160 D182 V183 N184	R118-C142 PolarHBondContact NH1-O 2.86Å; C142-R144 PolarHBondContact O-N 2.85Å; C142-F159 HydrophobicContact CB-CD1 4.43Å; C142-F159 HydrophobicContact CB-CE1 4.42Å; C142-Y160 HydrophobicContact CB-CE1 3.82Å; C142-D182 WeakPolarHBondContact CB-O 3.48Å; C142-D182 PolarHBondContact N-O 3.45Å; C142-V183 WeakPolarHBondContact CB-O 3.24Å; C142-N184 PolarHBondContact O-ND2 2.84Å
143	P	97.4	Very high	94.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-63.1	133.7	-178.3	-19.8	30.3	0	0	0	112.5	F155 K156 F159	P143-F155 HydrophobicContact CB-CD1 3.75Å; P143-F155 HydrophobicContact CB-CE1 4.11Å; P143-F155 HydrophobicContact CG-CD1 3.59Å; P143-F155 HydrophobicContact CG-CE1 3.63Å; P143-K156 HydrophobicContact CB-CB 4.11Å; P143-K156 WeakPolarHBondContact O-CD 3.45Å; P143-K156 WeakPolarHBondContact O-CE 3.43Å; P143-K156 WeakPolarHBondContact O-CG 3.22Å; P143-F159 VanDerWaalsContact CD-CD1 3.43Å; P143-F159 VanDerWaalsContact CD-CG 3.49Å; P143-F159 HydrophobicContact CG-CB 3.73Å; P143-F159 HydrophobicContact CG-CD1 4.28Å; P143-F159 HydrophobicContact CG-CD2 4.24Å; P143-F159 HydrophobicContact CG-CG 3.82Å
144	R	93.6	Very high	94.3	Very high	174 Å²	174	52.6 Å²	52.6	66%	0.657	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-74.1	135.9	163.8	-178.1	168.5	168.9	179.9	-0.1	110.5	C142 N184	C142-R144 PolarHBondContact O-N 2.85Å; R144-N184 WeakPolarHBondContact CB-OD1 3.16Å
145	A	89.6	Confident	94.3	Very high	36 Å²	36	52.9 Å²	52.9	30%	0.298	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-78.8	136.9	166.8	0	0	0	0	0	110.1	K153 K156	A145-K153 HydrophobicContact CB-CB 4.39Å; A145-K156 HydrophobicContact CB-CD 4.19Å
146	D	85.8	Confident	94.3	Very high	49 Å²	49	53.6 Å²	53.6	26%	0.262	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-117.1	116.5	-174.4	178.2	-4.5	0	0	0	108.5	D148 K149 R152	D146-D148 PolarHBondContact O-N 3.05Å; D146-D148 PolarHBondContact OD1-N 2.79Å; D146-D148 VanDerWaalsContact OD1-N 3.14Å; D146-K149 HydrophobicContact CB-CB 4.04Å; D146-K149 CarbonylContact O-C 3.23Å; D146-K149 VanDerWaalsContact O-C 3.23Å; D146-K149 PolarHBondContact O-N 3.3Å; D146-K149 IonicContact OD2-NZ 3.51Å; D146-K149 PolarHBondContact OD2-NZ 2.87Å; D146-R152 HydrophobicContact CB-CB 4.06Å; D146-R152 HydrophobicContact CB-CG 4.08Å
147	P	81.4	Confident	94.2	Very high	117 Å²	117	55.8 Å²	55.8	76%	0.76	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.7	-177.7	-25.1	35.1	0	0	0	114	K149	P147-K149 PolarHBondContact O-N 2.96Å
148	D	86.7	Confident	94.1	Very high	118 Å²	118	57.1 Å²	57.1	63%	0.631	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	2.1	177.8	-61.7	-47.2	0	0	0	111.4	D146 K526	D146-D148 PolarHBondContact O-N 3.05Å; D146-D148 PolarHBondContact OD1-N 2.79Å; D146-D148 VanDerWaalsContact OD1-N 3.14Å; D148-K526 IonicContact OD1-NZ 3.57Å; D148-K526 PolarHBondContact OD1-NZ 2.92Å; D148-K526 IonicContact OD2-NZ 3.4Å
149	K	90.3	Very high	94.1	Very high	94 Å²	94	57.1 Å²	57.1	41%	0.409	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-146	83.8	-178.7	-71.5	-174.9	-151.6	63.6	0	113.2	D146 P147 E151 R152	D146-K149 HydrophobicContact CB-CB 4.04Å; D146-K149 CarbonylContact O-C 3.23Å; D146-K149 VanDerWaalsContact O-C 3.23Å; D146-K149 PolarHBondContact O-N 3.3Å; D146-K149 IonicContact OD2-NZ 3.51Å; D146-K149 PolarHBondContact OD2-NZ 2.87Å; P147-K149 PolarHBondContact O-N 2.96Å; K149-E151 WeakPolarHBondContact CA-OE2 3.29Å; K149-E151 WeakPolarHBondContact CB-OE1 3.37Å; K149-E151 WeakPolarHBondContact CB-OE2 3.19Å; K149-E151 PolarHBondContact O-N 2.85Å; K149-E151 VanDerWaalsContact O-N 3.1Å; K149-R152 HydrophobicContact CB-CG 3.85Å; K149-R152 HydrophobicContact CD-CG 4.44Å; K149-R152 WeakPolarHBondContact O-CB 3.41Å; K149-R152 PolarHBondContact O-N 3.36Å
150	P	90.6	Very high	94.1	Very high	100 Å²	100	57.2 Å²	57.2	65%	0.649	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-29.4	-175.6	-27.9	36.3	0	0	0	115.2	R152 K153	P150-R152 PolarHBondContact O-N 2.85Å; P150-K153 VanDerWaalsContact O-CB 3.3Å; P150-K153 WeakPolarHBondContact O-CB 3.44Å; P150-K153 PolarHBondContact O-N 3.39Å
151	E	93.4	Very high	94	Very high	111 Å²	111	60.6 Å²	60.6	52%	0.519	30%	0.3	S	S	.	.	H	α-helix	trans	-62.5	-25.3	177.3	79.9	-69.9	174	0	0	112.5	K149 K153 Q154 F155	K149-E151 WeakPolarHBondContact CA-OE2 3.29Å; K149-E151 WeakPolarHBondContact CB-OE1 3.37Å; K149-E151 WeakPolarHBondContact CB-OE2 3.19Å; K149-E151 PolarHBondContact O-N 2.85Å; K149-E151 VanDerWaalsContact O-N 3.1Å; E151-K153 VanDerWaalsContact C-N 3.31Å; E151-K153 PolarHBondContact O-N 2.96Å; E151-Q154 PolarHBondContact O-N 2.9Å; E151-F155 WeakPolarHBondContact O-CB 3.17Å; E151-F155 PolarHBondContact O-N 3.16Å
152	R	94.7	Very high	94	Very high	27 Å²	27	59.7 Å²	59.7	10%	0.102	30%	0.297	C	S	.	.	H	α-helix	trans	-69.9	-26.3	173.4	-60	-52.6	-56.5	-172.5	-8	113.1	Y65 E116 D146 K149 P150 K156	Y65-R152 PolarHBondContact OH-NH2 3.06Å; E116-R152 IonicContact OE1-CZ 3.51Å; E116-R152 IonicContact OE1-NH1 3.17Å; E116-R152 PolarHBondContact OE1-NH1 3.41Å; E116-R152 IonicContact OE1-NH2 2.76Å; E116-R152 PolarHBondContact OE1-NH2 2.94Å; E116-R152 IonicContact OE2-CZ 2.71Å; E116-R152 IonicContact OE2-NH1 3.33Å; E116-R152 IonicContact OE2-NH2 3.39Å; E116-R152 PolarHBondContact OE2-NH2 3.04Å; D146-R152 HydrophobicContact CB-CB 4.06Å; D146-R152 HydrophobicContact CB-CG 4.08Å; K149-R152 HydrophobicContact CB-CG 3.85Å; K149-R152 HydrophobicContact CD-CG 4.44Å; K149-R152 WeakPolarHBondContact O-CB 3.41Å; K149-R152 PolarHBondContact O-N 3.36Å; P150-R152 PolarHBondContact O-N 2.85Å; R152-K156 WeakPolarHBondContact O-CB 3.39Å; R152-K156 PolarHBondContact O-N 3.07Å; R152-K156 VanDerWaalsContact O-N 3.12Å
153	K	94.3	Very high	94	Very high	119 Å²	119	59.9 Å²	59.9	52%	0.517	30%	0.298	S	S	.	.	H	α-helix	trans	-67.3	-46.1	170.8	-173.8	-176.1	176.1	-176.4	0	110	A145 P150 E151 K156 L157	A145-K153 HydrophobicContact CB-CB 4.39Å; P150-K153 VanDerWaalsContact O-CB 3.3Å; P150-K153 WeakPolarHBondContact O-CB 3.44Å; P150-K153 PolarHBondContact O-N 3.39Å; E151-K153 VanDerWaalsContact C-N 3.31Å; E151-K153 PolarHBondContact O-N 2.96Å; K153-K156 PolarHBondContact O-N 3.48Å; K153-L157 WeakPolarHBondContact O-CG 2.81Å; K153-L157 PolarHBondContact O-N 3.12Å
154	Q	94.9	Very high	94	Very high	108 Å²	108	61.4 Å²	61.4	51%	0.505	31%	0.305	S	S	.	.	H	α-helix	trans	-66.2	-46.1	178.4	-172.2	60.9	17.1	0	0	111.9	E151 K156 L157 Q158	E151-Q154 PolarHBondContact O-N 2.9Å; Q154-K156 VanDerWaalsContact C-N 3.27Å; Q154-K156 PolarHBondContact O-N 3.08Å; Q154-L157 PolarHBondContact O-N 2.98Å; Q154-L157 VanDerWaalsContact O-N 3.08Å; Q154-Q158 HydrophobicContact CG-CG 4.44Å; Q154-Q158 PolarHBondContact O-N 2.7Å
155	F	96.8	Very high	94.2	Very high	35 Å²	35	54.8 Å²	54.8	15%	0.154	29%	0.285	C	S	.	.	H	α-helix	trans	-57.6	-38.2	176.8	-173.1	-94.5	0	0	0	112.4	L112 L113 E116 P143 E151 F159	L112-F155 HydrophobicContact CB-CE2 4.41Å; L113-F155 HydrophobicContact CD2-CD2 3.99Å; L113-F155 HydrophobicContact CD2-CE1 4.47Å; L113-F155 HydrophobicContact CD2-CE2 3.8Å; L113-F155 HydrophobicContact CD2-CG 4.41Å; L113-F155 HydrophobicContact CD2-CZ 4.06Å; L113-F155 HydrophobicContact CG-CE2 4.3Å; E116-F155 HydrophobicContact CB-CZ 4.45Å; E116-F155 HydrophobicContact CG-CE1 4.29Å; E116-F155 HydrophobicContact CG-CZ 3.92Å; E116-F155 WeakPolarHBondContact OE2-CE1 3.4Å; P143-F155 HydrophobicContact CB-CD1 3.75Å; P143-F155 HydrophobicContact CB-CE1 4.11Å; P143-F155 HydrophobicContact CG-CD1 3.59Å; P143-F155 HydrophobicContact CG-CE1 3.63Å; E151-F155 WeakPolarHBondContact O-CB 3.17Å; E151-F155 PolarHBondContact O-N 3.16Å; F155-F159 WeakPolarHBondContact O-CB 3.45Å; F155-F159 PolarHBondContact O-N 2.89Å
156	K	97.9	Very high	94.6	Very high	17 Å²	17	53.1 Å²	53.1	7%	0.074	27%	0.271	C	S	.	.	H	α-helix	trans	-61	-46.2	173.2	-178.7	178.1	-172.4	-174.8	0	112.6	P143 A145 R152 K153 Q154 F159 Y160 N184 T185	P143-K156 HydrophobicContact CB-CB 4.11Å; P143-K156 WeakPolarHBondContact O-CD 3.45Å; P143-K156 WeakPolarHBondContact O-CE 3.43Å; P143-K156 WeakPolarHBondContact O-CG 3.22Å; A145-K156 HydrophobicContact CB-CD 4.19Å; R152-K156 WeakPolarHBondContact O-CB 3.39Å; R152-K156 PolarHBondContact O-N 3.07Å; R152-K156 VanDerWaalsContact O-N 3.12Å; K153-K156 PolarHBondContact O-N 3.48Å; Q154-K156 VanDerWaalsContact C-N 3.27Å; Q154-K156 PolarHBondContact O-N 3.08Å; K156-F159 PolarHBondContact O-N 3.25Å; K156-Y160 HydrophobicContact CD-CE2 4.45Å; K156-Y160 WeakPolarHBondContact CE-OH 3.35Å; K156-Y160 HydrophobicContact CG-CE2 4.18Å; K156-Y160 PolarHBondContact NZ-OH 3.01Å; K156-Y160 PolarHBondContact O-N 2.82Å; K156-N184 PolarHBondContact NZ-O 2.72Å; K156-T185 PolarHBondContact NZ-OG1 2.83Å
157	L	96.9	Very high	95.2	Very high	45 Å²	45	50.8 Å²	50.8	24%	0.236	26%	0.258	C	S	.	.	H	α-helix	trans	-71.1	-38.9	-177.6	-63.3	175.2	0	0	0	112.1	K153 Q154 F159 Y160 K161 P205	K153-L157 WeakPolarHBondContact O-CG 2.81Å; K153-L157 PolarHBondContact O-N 3.12Å; Q154-L157 PolarHBondContact O-N 2.98Å; Q154-L157 VanDerWaalsContact O-N 3.08Å; L157-F159 VanDerWaalsContact C-N 3.32Å; L157-F159 PolarHBondContact O-N 3.25Å; L157-Y160 HydrophobicContact CD2-CD2 4.27Å; L157-Y160 PolarHBondContact O-N 2.9Å; L157-K161 PolarHBondContact O-N 2.82Å; L157-P205 HydrophobicContact CD1-CB 4.06Å; L157-P205 HydrophobicContact CD1-CG 4.14Å; L157-P205 HydrophobicContact CD2-CB 4.02Å; L157-P205 HydrophobicContact CD2-CG 4.3Å
158	Q	97.8	Very high	96	Very high	30 Å²	30	47.1 Å²	47.1	14%	0.14	23%	0.231	C	C	.	.	H	α-helix	trans	-63.2	-38.2	172	-65.4	-68.2	59.3	0	0	111.6	F105 E109 L113 Q154 K161 L162	F105-Q158 HydrophobicContact CE1-CB 4.19Å; E109-Q158 PolarHBondContact OE1-NE2 3.34Å; L113-Q158 HydrophobicContact CD1-CB 4.19Å; L113-Q158 HydrophobicContact CD2-CB 4.13Å; Q154-Q158 HydrophobicContact CG-CG 4.44Å; Q154-Q158 PolarHBondContact O-N 2.7Å; Q158-K161 PolarHBondContact O-N 2.83Å; Q158-L162 WeakPolarHBondContact O-CB 3.41Å; Q158-L162 PolarHBondContact O-N 2.79Å
159	F	98.6	Very high	96.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.6	-41.4	174.9	-169.2	-88.2	0	0	0	112.7	L85 L113 R118 C142 P143 F155 K156 L157 L162 L163	L85-F159 HydrophobicContact CD1-CD2 4.49Å; L85-F159 HydrophobicContact CD1-CE1 4.3Å; L85-F159 HydrophobicContact CD1-CE2 3.93Å; L85-F159 HydrophobicContact CD1-CZ 3.83Å; L113-F159 HydrophobicContact CD2-CB 3.86Å; L113-F159 HydrophobicContact CD2-CD2 4.19Å; R118-F159 HydrophobicContact CB-CE2 3.58Å; R118-F159 HydrophobicContact CB-CZ 3.62Å; R118-F159 HydrophobicContact CG-CE2 4.4Å; C142-F159 HydrophobicContact CB-CD1 4.43Å; C142-F159 HydrophobicContact CB-CE1 4.42Å; P143-F159 VanDerWaalsContact CD-CD1 3.43Å; P143-F159 VanDerWaalsContact CD-CG 3.49Å; P143-F159 HydrophobicContact CG-CB 3.73Å; P143-F159 HydrophobicContact CG-CD1 4.28Å; P143-F159 HydrophobicContact CG-CD2 4.24Å; P143-F159 HydrophobicContact CG-CG 3.82Å; F155-F159 WeakPolarHBondContact O-CB 3.45Å; F155-F159 PolarHBondContact O-N 2.89Å; K156-F159 PolarHBondContact O-N 3.25Å; L157-F159 VanDerWaalsContact C-N 3.32Å; L157-F159 PolarHBondContact O-N 3.25Å; F159-L162 PolarHBondContact O-N 2.99Å; F159-L163 VanDerWaalsContact O-CB 3.27Å; F159-L163 WeakPolarHBondContact O-CB 3.35Å; F159-L163 PolarHBondContact O-N 2.88Å
160	Y	98.4	Very high	96.9	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-61.4	-45.5	173.6	-75.8	-15.2	0	0	0	112.6	C142 K156 L157 L162 L163 Q164 V183 T185 W209	C142-Y160 HydrophobicContact CB-CE1 3.82Å; K156-Y160 HydrophobicContact CD-CE2 4.45Å; K156-Y160 WeakPolarHBondContact CE-OH 3.35Å; K156-Y160 HydrophobicContact CG-CE2 4.18Å; K156-Y160 PolarHBondContact NZ-OH 3.01Å; K156-Y160 PolarHBondContact O-N 2.82Å; L157-Y160 HydrophobicContact CD2-CD2 4.27Å; L157-Y160 PolarHBondContact O-N 2.9Å; Y160-L162 PolarHBondContact O-N 2.96Å; Y160-L163 PolarHBondContact O-N 3.01Å; Y160-Q164 WeakPolarHBondContact O-CB 3.33Å; Y160-Q164 PolarHBondContact O-N 3.44Å; Y160-V183 HydrophobicContact CE1-CG1 4.03Å; Y160-V183 PolarHBondContact OH-O 3.18Å; Y160-T185 WeakPolarHBondContact OH-CB 3.32Å; Y160-T185 PolarHBondContact OH-OG1 3.39Å; Y160-W209 HydrophobicContact CD1-CD2 4.43Å; Y160-W209 AromaticContact CD1-CE3 3.93Å; Y160-W209 HydrophobicContact CD1-CE3 3.93Å; Y160-W209 HydrophobicContact CD1-CH2 4.12Å; Y160-W209 AromaticContact CD1-CZ3 3.75Å; Y160-W209 HydrophobicContact CD1-CZ3 3.75Å; Y160-W209 HydrophobicContact CD2-CB 4.22Å; Y160-W209 AromaticContact CD2-CD2 3.7Å; Y160-W209 HydrophobicContact CD2-CD2 3.7Å; Y160-W209 AromaticContact CD2-CE3 3.44Å; Y160-W209 HydrophobicContact CD2-CE3 3.44Å; Y160-W209 VanDerWaalsContact CD2-CE3 3.44Å; Y160-W209 HydrophobicContact CD2-CG 4.02Å; Y160-W209 HydrophobicContact CD2-CZ3 4.13Å; Y160-W209 HydrophobicContact CE1-CE3 4.11Å; Y160-W209 AromaticContact CE1-CZ3 3.83Å; Y160-W209 HydrophobicContact CE1-CZ3 3.83Å; Y160-W209 HydrophobicContact CE2-CD2 4.35Å; Y160-W209 AromaticContact CE2-CE3 3.65Å; Y160-W209 HydrophobicContact CE2-CE3 3.65Å; Y160-W209 HydrophobicContact CE2-CZ3 4.21Å; Y160-W209 AromaticContact CG-CD2 3.73Å; Y160-W209 HydrophobicContact CG-CD2 3.73Å; Y160-W209 AromaticContact CG-CE3 3.57Å; Y160-W209 HydrophobicContact CG-CE3 3.57Å; Y160-W209 HydrophobicContact CG-CG 4.32Å; Y160-W209 HydrophobicContact CG-CH2 4.34Å; Y160-W209 HydrophobicContact CG-CZ2 4.47Å; Y160-W209 AromaticContact CG-CZ3 3.89Å; Y160-W209 HydrophobicContact CG-CZ3 3.89Å; Y160-W209 AromaticContact CZ-CE3 3.95Å
161	K	97.7	Very high	97.2	Very high	73 Å²	73	35.4 Å²	35.4	32%	0.317	17%	0.17	S	C	.	.	H	α-helix	trans	-59.8	-47.6	176.1	-173.9	178.6	179	175	0	111.4	D104 F105 L157 Q158 L163 Q164 C165	D104-K161 WeakPolarHBondContact OD2-CE 3.19Å; D104-K161 IonicContact OD2-NZ 2.85Å; D104-K161 PolarHBondContact OD2-NZ 3.13Å; F105-K161 HydrophobicContact CE2-CD 4.42Å; F105-K161 HydrophobicContact CE2-CG 4.43Å; F105-K161 HydrophobicContact CZ-CB 4Å; F105-K161 HydrophobicContact CZ-CD 3.87Å; F105-K161 HydrophobicContact CZ-CG 3.8Å; L157-K161 PolarHBondContact O-N 2.82Å; Q158-K161 PolarHBondContact O-N 2.83Å; K161-L163 PolarHBondContact O-N 2.95Å; K161-Q164 PolarHBondContact O-N 3.47Å; K161-C165 PolarHBondContact O-N 2.92Å; K161-C165 PolarHBondContact O-SG 2.67Å
162	L	98.4	Very high	97.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.3	-42.6	177.9	177.1	62.1	0	0	0	112.3	L85 T86 F105 L110 L113 Q158 F159 Y160 Q164 C165 R166	L85-L162 HydrophobicContact CB-CD1 4.46Å; L85-L162 HydrophobicContact CB-CD2 4.01Å; L85-L162 HydrophobicContact CB-CG 3.92Å; L85-L162 HydrophobicContact CD1-CD2 4.1Å; L85-L162 HydrophobicContact CD1-CG 3.97Å; T86-L162 HydrophobicContact CG2-CD1 4.09Å; T86-L162 HydrophobicContact CG2-CD2 3.61Å; T86-L162 HydrophobicContact CG2-CG 4.44Å; F105-L162 HydrophobicContact CE1-CB 4.31Å; F105-L162 HydrophobicContact CZ-CB 3.94Å; L110-L162 HydrophobicContact CD2-CD1 4.03Å; L113-L162 HydrophobicContact CB-CD2 3.9Å; L113-L162 HydrophobicContact CD1-CB 4.43Å; L113-L162 HydrophobicContact CD1-CD2 3.74Å; L113-L162 HydrophobicContact CG-CD2 4.42Å; Q158-L162 WeakPolarHBondContact O-CB 3.41Å; Q158-L162 PolarHBondContact O-N 2.79Å; F159-L162 PolarHBondContact O-N 2.99Å; Y160-L162 PolarHBondContact O-N 2.96Å; L162-Q164 VanDerWaalsContact C-N 3.34Å; L162-Q164 PolarHBondContact O-N 2.95Å; L162-C165 PolarHBondContact O-N 2.77Å; L162-R166 WeakPolarHBondContact O-CB 3.46Å; L162-R166 PolarHBondContact O-N 2.97Å
163	L	98.6	Very high	97.5	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.016	21%	0.207	C	C	.	.	H	α-helix	trans	-59.7	-43.8	175.3	175.5	58	0	0	0	111.7	L85 I138 V140 F159 Y160 K161 A167 I179 W209	L85-L163 HydrophobicContact CD1-CB 4.08Å; L85-L163 HydrophobicContact CD1-CD1 4.45Å; L85-L163 HydrophobicContact CD2-CD1 4.02Å; I138-L163 HydrophobicContact CG2-CD1 3.98Å; V140-L163 HydrophobicContact CG1-CD1 3.74Å; V140-L163 HydrophobicContact CG1-CD2 4.13Å; V140-L163 HydrophobicContact CG2-CD2 4.39Å; F159-L163 VanDerWaalsContact O-CB 3.27Å; F159-L163 WeakPolarHBondContact O-CB 3.35Å; F159-L163 PolarHBondContact O-N 2.88Å; Y160-L163 PolarHBondContact O-N 3.01Å; K161-L163 PolarHBondContact O-N 2.95Å; L163-A167 VanDerWaalsContact O-CB 3.25Å; L163-A167 WeakPolarHBondContact O-CB 3.46Å; L163-A167 PolarHBondContact O-N 3.42Å; L163-I179 HydrophobicContact CD1-CD1 4.14Å; L163-I179 HydrophobicContact CD1-CG2 4.1Å; L163-I179 HydrophobicContact CD2-CG2 4.27Å; L163-I179 HydrophobicContact CG-CD1 4.35Å; L163-W209 HydrophobicContact CD2-CH2 4.4Å
164	Q	98	Very high	97.6	Very high	33 Å²	33	38 Å²	38	15%	0.154	21%	0.213	C	C	.	.	H	α-helix	trans	-64.2	-49.7	175.3	179.3	169.7	3.7	0	0	111.8	Y160 K161 L162 R166 A167 E168 W209 F213	Y160-Q164 WeakPolarHBondContact O-CB 3.33Å; Y160-Q164 PolarHBondContact O-N 3.44Å; K161-Q164 PolarHBondContact O-N 3.47Å; L162-Q164 VanDerWaalsContact C-N 3.34Å; L162-Q164 PolarHBondContact O-N 2.95Å; Q164-R166 VanDerWaalsContact C-N 3.3Å; Q164-R166 PolarHBondContact O-N 3.02Å; Q164-A167 PolarHBondContact O-N 3.25Å; Q164-E168 HydrophobicContact CG-CG 4.23Å; Q164-E168 WeakPolarHBondContact CG-OE1 3.22Å; Q164-E168 PolarHBondContact NE2-OE1 3.29Å; Q164-E168 WeakPolarHBondContact O-CB 3.36Å; Q164-E168 WeakPolarHBondContact O-CG 3.3Å; Q164-E168 PolarHBondContact O-N 3.38Å; Q164-W209 HydrophobicContact CB-CZ2 4.47Å; Q164-F213 HydrophobicContact CB-CD2 4.07Å; Q164-F213 HydrophobicContact CB-CE2 4.14Å; Q164-F213 HydrophobicContact CG-CD2 3.81Å; Q164-F213 HydrophobicContact CG-CE2 4.03Å
165	C	97.4	Very high	97.7	Very high	35 Å²	35	33.3 Å²	33.3	24%	0.236	19%	0.192	C	C	.	.	H	α-helix	trans	-53.5	-46.8	176.5	-69.1	0	0	0	0	112	K161 L162 A169	K161-C165 PolarHBondContact O-N 2.92Å; K161-C165 PolarHBondContact O-SG 2.67Å; L162-C165 PolarHBondContact O-N 2.77Å; C165-A169 WeakPolarHBondContact O-CB 3.21Å; C165-A169 PolarHBondContact O-N 2.98Å
166	R	98.3	Very high	97.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.3	-47.7	177.8	176.3	56.1	162.8	-160.4	-10.5	112.4	E82 L85 G97 C98 Y99 I121 L162 Q164 A169 L170	E82-R166 VanDerWaalsContact CD-NH2 3.34Å; E82-R166 IonicContact OE1-NH2 2.74Å; E82-R166 IonicContact OE2-CZ 2.83Å; E82-R166 IonicContact OE2-NH2 2.71Å; E82-R166 PolarHBondContact OE2-NH2 2.91Å; L85-R166 HydrophobicContact CB-CB 4.44Å; L85-R166 HydrophobicContact CB-CG 4.34Å; L85-R166 HydrophobicContact CD2-CB 4.45Å; L85-R166 HydrophobicContact CD2-CG 4.04Å; L85-R166 WeakPolarHBondContact O-CD 3.37Å; G97-R166 VanDerWaalsContact C-NH1 3.35Å; G97-R166 VanDerWaalsContact O-CZ 3.26Å; G97-R166 PolarHBondContact O-NH1 3.32Å; C98-R166 VanDerWaalsContact C-NH1 3.28Å; C98-R166 WeakPolarHBondContact O-CD 3.46Å; C98-R166 PolarHBondContact O-NH1 2.86Å; Y99-R166 VanDerWaalsContact CE1-NH1 3.31Å; I121-R166 HydrophobicContact CD1-CG 4.26Å; I121-R166 VanDerWaalsContact CD1-NE 3.34Å; L162-R166 WeakPolarHBondContact O-CB 3.46Å; L162-R166 PolarHBondContact O-N 2.97Å; Q164-R166 VanDerWaalsContact C-N 3.3Å; Q164-R166 PolarHBondContact O-N 3.02Å; R166-A169 PolarHBondContact O-N 2.88Å; R166-L170 HydrophobicContact CG-CD1 4.16Å; R166-L170 WeakPolarHBondContact O-CD1 3.31Å; R166-L170 WeakPolarHBondContact O-CG 3.49Å; R166-L170 PolarHBondContact O-N 3.22Å
167	A	98.4	Very high	97.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.2	-41.7	-178.1	0	0	0	0	0	112.6	I138 L163 Q164 L170 L171 V177 I179 F241	I138-A167 HydrophobicContact CD1-CB 4.05Å; L163-A167 VanDerWaalsContact O-CB 3.25Å; L163-A167 WeakPolarHBondContact O-CB 3.46Å; L163-A167 PolarHBondContact O-N 3.42Å; Q164-A167 PolarHBondContact O-N 3.25Å; A167-L170 PolarHBondContact O-N 3.03Å; A167-L171 PolarHBondContact O-N 3.23Å; A167-V177 HydrophobicContact CB-CG1 4.21Å; A167-I179 HydrophobicContact CB-CD1 3.51Å; A167-I179 HydrophobicContact CB-CG1 4.37Å; A167-F241 HydrophobicContact CB-CE2 4.26Å; A167-F241 HydrophobicContact CB-CZ 3.78Å
168	E	97.4	Very high	97.9	Very high	40 Å²	40	29.5 Å²	29.5	19%	0.187	17%	0.173	C	C	.	.	H	α-helix	trans	-69.1	-33.6	175.8	-68.7	-169.1	-152.8	0	0	112.4	Q164 L171 K172 K240 F241	Q164-E168 HydrophobicContact CG-CG 4.23Å; Q164-E168 WeakPolarHBondContact CG-OE1 3.22Å; Q164-E168 PolarHBondContact NE2-OE1 3.29Å; Q164-E168 WeakPolarHBondContact O-CB 3.36Å; Q164-E168 WeakPolarHBondContact O-CG 3.3Å; Q164-E168 PolarHBondContact O-N 3.38Å; E168-L171 PolarHBondContact O-N 2.92Å; E168-K172 VanDerWaalsContact O-CB 3.29Å; E168-K172 WeakPolarHBondContact O-CB 3.27Å; E168-K172 PolarHBondContact O-N 3.44Å; E168-K240 HydrophobicContact CG-CD 3.86Å; E168-K240 IonicContact OE1-NZ 3.78Å; E168-K240 IonicContact OE2-NZ 2.69Å; E168-K240 PolarHBondContact OE2-NZ 3.13Å; E168-F241 HydrophobicContact CG-CE2 4.42Å
169	A	98.1	Very high	98	Very high	17 Å²	17	28.1 Å²	28.1	14%	0.14	17%	0.167	C	C	.	.	H	α-helix	trans	-66.4	-38.2	173.7	0	0	0	0	0	112.7	G100 C165 R166 G173	G100-A169 VanDerWaalsContact CA-CB 3.46Å; C165-A169 WeakPolarHBondContact O-CB 3.21Å; C165-A169 PolarHBondContact O-N 2.98Å; R166-A169 PolarHBondContact O-N 2.88Å; A169-G173 PolarHBondContact O-N 3.18Å
170	L	98.4	Very high	98	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-66.1	-42.4	173.2	-74.3	161.1	0	0	0	111.9	V96 C98 T136 I138 R166 A167 G173 S175 V177	V96-L170 HydrophobicContact CG1-CD2 3.73Å; C98-L170 HydrophobicContact CB-CD2 3.84Å; C98-L170 HydrophobicContact CB-CG 4.17Å; T136-L170 HydrophobicContact CG2-CD1 3.91Å; T136-L170 HydrophobicContact CG2-CD2 4.21Å; I138-L170 HydrophobicContact CD1-CD1 3.85Å; I138-L170 HydrophobicContact CG1-CD1 4.44Å; R166-L170 HydrophobicContact CG-CD1 4.16Å; R166-L170 WeakPolarHBondContact O-CD1 3.31Å; R166-L170 WeakPolarHBondContact O-CG 3.49Å; R166-L170 PolarHBondContact O-N 3.22Å; A167-L170 PolarHBondContact O-N 3.03Å; L170-G173 WeakPolarHBondContact O-CA 3.47Å; L170-G173 PolarHBondContact O-N 3.25Å; L170-G173 VanDerWaalsContact O-N 3.13Å; L170-S175 PolarHBondContact O-N 3.03Å; L170-V177 HydrophobicContact CB-CG2 3.69Å
171	L	97.1	Very high	98	Very high	49 Å²	49	28.2 Å²	28.2	26%	0.257	17%	0.167	S	C	.	.	H	α-helix	trans	-64.6	-44.7	176.6	-172.8	60.7	0	0	0	111.7	A167 E168 G173 G174 S175 V177 K240 F241 D280	A167-L171 PolarHBondContact O-N 3.23Å; E168-L171 PolarHBondContact O-N 2.92Å; L171-G173 PolarHBondContact O-N 3.06Å; L171-G174 PolarHBondContact O-N 2.9Å; L171-S175 WeakPolarHBondContact CA-O 3.25Å; L171-V177 HydrophobicContact CB-CG2 4.12Å; L171-K240 HydrophobicContact CD2-CB 4.23Å; L171-F241 HydrophobicContact CD2-CZ 4.5Å; L171-D280 HydrophobicContact CD1-CB 3.71Å; L171-D280 HydrophobicContact CD2-CB 4.06Å
172	K	96.9	Very high	98.1	Very high	197 Å²	197	24.8 Å²	24.8	86%	0.857	15%	0.153	S	C	*	.	H	α-helix	trans	-63.5	-25	172.1	-173.4	173.9	-179.6	177.1	0	112.9	E168 G174	E168-K172 VanDerWaalsContact O-CB 3.29Å; E168-K172 WeakPolarHBondContact O-CB 3.27Å; E168-K172 PolarHBondContact O-N 3.44Å; K172-G174 PolarHBondContact O-N 3.43Å
173	G	96.8	Very high	98.1	Very high	53 Å²	53	24.9 Å²	24.9	55%	0.546	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	0.5	171.8	0	0	0	0	0	114.9	A169 L170 L171	A169-G173 PolarHBondContact O-N 3.18Å; L170-G173 WeakPolarHBondContact O-CA 3.47Å; L170-G173 PolarHBondContact O-N 3.25Å; L170-G173 VanDerWaalsContact O-N 3.13Å; L171-G173 PolarHBondContact O-N 3.06Å
174	G	96.2	Very high	98	Very high	62 Å²	62	26.1 Å²	26.1	64%	0.639	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.5	12.6	179.9	0	0	0	0	0	114.6	L171 K172	L171-G174 PolarHBondContact O-N 2.9Å; K172-G174 PolarHBondContact O-N 3.43Å
175	S	97.9	Very high	98	Very high	9 Å²	9	24.9 Å²	24.9	6%	0.063	16%	0.155	C	C	.	.			trans	-88	136.6	166.2	-175.2	0	0	0	0	109.4	T134 T136 L170 L171	T134-S175 PolarHBondContact O-OG 2.76Å; T136-S175 WeakPolarHBondContact CB-OG 3.29Å; T136-S175 PolarHBondContact N-OG 2.75Å; T136-S175 PolarHBondContact OG1-OG 3.35Å; L170-S175 PolarHBondContact O-N 3.03Å; L171-S175 WeakPolarHBondContact CA-O 3.25Å
176	H	98.4	Very high	98	Very high	17 Å²	17	23.6 Å²	23.6	8%	0.079	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	150.8	155.2	-76	-70	0	0	0	109.5	Q133 T134 V135 T136 D280 L283	Q133-H176 PolarHBondContact OE1-CD2 2.93Å; Q133-H176 PolarHBondContact OE1-NE2 3.05Å; T134-H176 PolarHBondContact O-N 2.87Å; V135-H176 CarbonylContact C-O 3.48Å; V135-H176 WeakPolarHBondContact CA-O 3.33Å; V135-H176 HydrophobicContact CB-CB 4.27Å; V135-H176 HydrophobicContact CG2-CB 4.09Å; T136-H176 PolarHBondContact N-O 3Å; H176-D280 WeakPolarHBondContact CA-OD2 3.43Å; H176-D280 VanDerWaalsContact CB-OD2 3.3Å; H176-D280 WeakPolarHBondContact CB-OD2 3.41Å; H176-D280 IonicContact CE1-OD1 2.69Å; H176-D280 IonicContact CG-OD2 2.84Å; H176-D280 VanDerWaalsContact ND1-CG 3.31Å; H176-D280 IonicContact ND1-OD1 3.18Å; H176-D280 PolarHBondContact ND1-OD1 2.97Å; H176-D280 IonicContact ND1-OD2 3.79Å; H176-D280 PolarHBondContact ND1-OD2 3.27Å; H176-D280 VanDerWaalsContact ND1-OD2 3.07Å; H176-L283 HydrophobicContact CB-CB 4.3Å; H176-L283 HydrophobicContact CB-CD1 4.09Å; H176-L283 HydrophobicContact CB-CD2 4.16Å; H176-L283 HydrophobicContact CB-CG 4.42Å
177	V	98.8	Very high	97.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	128.3	-172.3	-179	0	0	0	0	110.6	T136 I138 A167 L170 L171 I179 F241 A279 D280	T136-V177 WeakPolarHBondContact O-CA 3.46Å; I138-V177 HydrophobicContact CD1-CG1 4.04Å; I138-V177 HydrophobicContact CG1-CG1 4.42Å; A167-V177 HydrophobicContact CB-CG1 4.21Å; L170-V177 HydrophobicContact CB-CG2 3.69Å; L171-V177 HydrophobicContact CB-CG2 4.12Å; V177-I179 HydrophobicContact CG1-CG1 4.15Å; V177-F241 HydrophobicContact CB-CE1 3.88Å; V177-F241 HydrophobicContact CB-CZ 4.29Å; V177-F241 HydrophobicContact CG1-CE1 3.81Å; V177-F241 HydrophobicContact CG1-CZ 4.16Å; V177-A279 CarbonylContact O-C 3.58Å; V177-A279 VanDerWaalsContact O-CA 3.32Å; V177-A279 WeakPolarHBondContact O-CA 3.21Å; V177-D280 PolarHBondContact N-OD2 3.19Å; V177-D280 PolarHBondContact O-N 3.07Å
178	I	98.9	Very high	97.8	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.3	172.5	-53.3	-179.7	0	0	0	107.7	L3 V135 T136 V137 I138 L180 I277 F278 A279 L283 F288 L309	L3-I178 HydrophobicContact CD1-CD1 3.5Å; L3-I178 VanDerWaalsContact CD1-CD1 3.5Å; L3-I178 HydrophobicContact CD1-CG2 4.26Å; V135-I178 HydrophobicContact CG2-CD1 3.88Å; V135-I178 HydrophobicContact CG2-CG1 3.9Å; T136-I178 PolarHBondContact O-N 3.1Å; V137-I178 CarbonylContact C-O 3.52Å; V137-I178 WeakPolarHBondContact CA-O 3.37Å; V137-I178 HydrophobicContact CG2-CB 4.44Å; I138-I178 PolarHBondContact N-O 2.88Å; I178-L180 HydrophobicContact CG2-CD2 3.94Å; I178-L180 HydrophobicContact CG2-CG 4.47Å; I178-I277 HydrophobicContact CG2-CG2 3.93Å; I178-F278 CarbonylContact C-O 3.58Å; I178-F278 VanDerWaalsContact CA-O 3.28Å; I178-F278 WeakPolarHBondContact CA-O 3.13Å; I178-F278 WeakPolarHBondContact CG2-O 3.3Å; I178-A279 HydrophobicContact CG1-CB 4.15Å; I178-L283 HydrophobicContact CD1-CD2 3.73Å; I178-L283 HydrophobicContact CG1-CD2 3.61Å; I178-F288 HydrophobicContact CD1-CZ 4.12Å; I178-L309 HydrophobicContact CD1-CD2 4.35Å
179	I	98.9	Very high	97.7	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.3	173.1	-45.9	-175.2	0	0	0	108	I138 V140 L163 A167 V177 F213 F241 F278	I138-I179 HydrophobicContact CB-CG1 4.41Å; I138-I179 HydrophobicContact CB-CG2 4.36Å; I138-I179 HydrophobicContact CD1-CD1 4.5Å; I138-I179 HydrophobicContact CD1-CG1 4.23Å; I138-I179 WeakPolarHBondContact O-CA 3.21Å; V140-I179 HydrophobicContact CG1-CG2 4.16Å; V140-I179 HydrophobicContact CG2-CG2 3.95Å; L163-I179 HydrophobicContact CD1-CD1 4.14Å; L163-I179 HydrophobicContact CD1-CG2 4.1Å; L163-I179 HydrophobicContact CD2-CG2 4.27Å; L163-I179 HydrophobicContact CG-CD1 4.35Å; A167-I179 HydrophobicContact CB-CD1 3.51Å; A167-I179 HydrophobicContact CB-CG1 4.37Å; V177-I179 HydrophobicContact CG1-CG1 4.15Å; I179-F213 HydrophobicContact CD1-CE1 4.29Å; I179-F213 HydrophobicContact CD1-CE2 4.46Å; I179-F213 HydrophobicContact CD1-CZ 3.57Å; I179-F241 HydrophobicContact CD1-CE1 4.38Å; I179-F241 HydrophobicContact CG1-CE1 4.41Å; I179-F278 HydrophobicContact CB-CB 4.36Å; I179-F278 HydrophobicContact CB-CD2 4.32Å; I179-F278 PolarHBondContact N-O 2.58Å; I179-F278 PolarHBondContact O-N 3.02Å
180	L	98.9	Very high	97.6	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	152.4	-176.1	50.1	77.1	0	0	0	112.8	T5 C31 V137 I138 N139 V140 I178 Y276 I277	T5-L180 HydrophobicContact CG2-CB 4.26Å; C31-L180 HydrophobicContact CB-CD1 3.28Å; C31-L180 WeakPolarHBondContact SG-CD1 3.45Å; V137-L180 HydrophobicContact CG1-CD1 4.27Å; V137-L180 HydrophobicContact CG1-CD2 3.89Å; V137-L180 HydrophobicContact CG1-CG 4.11Å; I138-L180 PolarHBondContact O-N 2.81Å; N139-L180 HydrophobicContact CB-CD1 4.25Å; V140-L180 PolarHBondContact N-O 3.3Å; I178-L180 HydrophobicContact CG2-CD2 3.94Å; I178-L180 HydrophobicContact CG2-CG 4.47Å; L180-Y276 VanDerWaalsContact CA-O 3.23Å; L180-Y276 WeakPolarHBondContact CA-O 3.2Å; L180-Y276 WeakPolarHBondContact CB-O 3.39Å; L180-I277 HydrophobicContact CB-CB 4.43Å; L180-I277 HydrophobicContact CB-CG1 3.98Å
181	G	98.8	Very high	97.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	128.5	-169.1	-179.4	0	0	0	0	0	113.9	T5 Q33 V140 V183 D275 Y276	T5-G181 VanDerWaalsContact OG1-CA 3.27Å; T5-G181 WeakPolarHBondContact OG1-CA 3.46Å; T5-G181 PolarHBondContact OG1-N 3.23Å; Q33-G181 VanDerWaalsContact CD-CA 3.45Å; V140-G181 WeakPolarHBondContact O-CA 3.36Å; G181-V183 PolarHBondContact O-N 2.82Å; G181-D275 WeakPolarHBondContact O-CA 3.25Å; G181-Y276 PolarHBondContact N-O 3.02Å; G181-Y276 VanDerWaalsContact N-O 3.08Å; G181-Y276 PolarHBondContact O-N 2.86Å
182	D	98.8	Very high	97.5	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.011	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	105.4	179.2	174.7	10.1	0	0	0	110.1	N7 V140 Y141 C142 N184 H302	N7-D182 HydrophobicContact CB-CB 4.17Å; N7-D182 PolarHBondContact ND2-OD2 2.94Å; V140-D182 PolarHBondContact O-N 3.02Å; Y141-D182 HydrophobicContact CD2-CB 4.19Å; Y141-D182 WeakPolarHBondContact CE2-OD2 3.4Å; C142-D182 WeakPolarHBondContact CB-O 3.48Å; C142-D182 PolarHBondContact N-O 3.45Å; D182-N184 VanDerWaalsContact C-N 3.31Å; D182-N184 WeakPolarHBondContact OD1-CA 3.08Å; D182-N184 PolarHBondContact OD1-N 3.1Å; D182-N184 PolarHBondContact OD1-ND2 3.05Å; D182-N184 PolarHBondContact OD2-ND2 3.04Å; D182-H302 IonicContact OD2-CE1 2.74Å; D182-H302 PolarHBondContact OD2-CE1 3.44Å
183	V	98.7	Very high	97.3	Very high	2 Å²	2	24 Å²	24	1%	0.012	15%	0.15	C	C	.	.			trans	-82.3	-12.5	179.2	177	0	0	0	0	111.1	C142 Y160 G181 T185 W209 L210 I274 Y276 F278	C142-V183 WeakPolarHBondContact CB-O 3.24Å; Y160-V183 HydrophobicContact CE1-CG1 4.03Å; Y160-V183 PolarHBondContact OH-O 3.18Å; G181-V183 PolarHBondContact O-N 2.82Å; V183-T185 PolarHBondContact O-N 3.04Å; V183-W209 HydrophobicContact CG1-CZ3 4.19Å; V183-L210 HydrophobicContact CG1-CD2 4.4Å; V183-I274 PolarHBondContact N-O 2.8Å; V183-Y276 HydrophobicContact CB-CD2 3.66Å; V183-Y276 HydrophobicContact CB-CE2 3.81Å; V183-Y276 HydrophobicContact CG1-CE2 4.38Å; V183-Y276 HydrophobicContact CG2-CD2 3.49Å; V183-Y276 VanDerWaalsContact CG2-CD2 3.49Å; V183-Y276 HydrophobicContact CG2-CE2 4.15Å; V183-Y276 HydrophobicContact CG2-CG 4.24Å; V183-F278 HydrophobicContact CG2-CE2 3.81Å; V183-F278 HydrophobicContact CG2-CZ 4.24Å
184	N	98	Very high	96.9	Very high	28 Å²	28	25 Å²	25	15%	0.15	14%	0.143	C	C	.	.	S	Bend	trans	57.9	23.8	-178.9	-97.1	-87	0	0	0	115	C142 R144 K156 D182	C142-N184 PolarHBondContact O-ND2 2.84Å; R144-N184 WeakPolarHBondContact CB-OD1 3.16Å; K156-N184 PolarHBondContact NZ-O 2.72Å; D182-N184 VanDerWaalsContact C-N 3.31Å; D182-N184 WeakPolarHBondContact OD1-CA 3.08Å; D182-N184 PolarHBondContact OD1-N 3.1Å; D182-N184 PolarHBondContact OD1-ND2 3.05Å; D182-N184 PolarHBondContact OD2-ND2 3.04Å
185	T	97.4	Very high	96.6	Very high	8 Å²	8	24.5 Å²	24.5	5%	0.049	13%	0.128	C	C	.	.	S	Bend	trans	-144.6	134.8	173.4	-60	0	0	0	0	109.6	K156 Y160 V183 R207 L210 Y276	K156-T185 PolarHBondContact NZ-OG1 2.83Å; Y160-T185 WeakPolarHBondContact OH-CB 3.32Å; Y160-T185 PolarHBondContact OH-OG1 3.39Å; V183-T185 PolarHBondContact O-N 3.04Å; T185-R207 HydrophobicContact CG2-CB 4.46Å; T185-L210 HydrophobicContact CG2-CD1 3.79Å; T185-Y276 VanDerWaalsContact O-CE2 3.28Å; T185-Y276 WeakPolarHBondContact O-CE2 3.37Å; T185-Y276 PolarHBondContact O-OH 2.69Å
186	S	96.9	Very high	95.8	Very high	8 Å²	8	26.6 Å²	26.6	6%	0.056	14%	0.143	C	C	.	.			trans	-85.7	134	168.7	57.3	0	0	0	0	110.7	D191 R207 R273 Y276	S186-D191 WeakPolarHBondContact CB-O 3.44Å; S186-R207 VanDerWaalsContact O-CZ 3.27Å; S186-R207 PolarHBondContact O-NE 3.35Å; S186-R207 PolarHBondContact O-NH2 3.29Å; S186-R207 PolarHBondContact OG-NH2 3.07Å; S186-R273 VanDerWaalsContact CA-O 3.29Å; S186-R273 WeakPolarHBondContact CA-O 3.37Å; S186-R273 WeakPolarHBondContact CB-O 3.4Å; S186-Y276 WeakPolarHBondContact CA-OH 3.42Å
187	H	96.6	Very high	95.2	Very high	22 Å²	22	32.1 Å²	32.1	10%	0.102	17%	0.173	C	C	.	.			trans	-73.3	-67.8	-173.6	-175.3	-154.5	0	0	0	111.6	R207 L210 N211 Y276	H187-R207 WeakPolarHBondContact O-CD 3.28Å; H187-R207 WeakPolarHBondContact O-CG 3.33Å; H187-R207 PolarHBondContact O-NE 3.04Å; H187-L210 HydrophobicContact CB-CD1 4.09Å; H187-N211 PolarHBondContact CD2-OD1 3.18Å; H187-N211 PolarHBondContact NE2-OD1 3.2Å; H187-Y276 HydrophobicContact CB-CE1 4.43Å; H187-Y276 PolarHBondContact N-OH 2.84Å
188	Q	95.1	Very high	94.3	Very high	90 Å²	90	38.8 Å²	38.8	42%	0.421	21%	0.206	S	C	.	.	S	Bend	trans	-103.5	166.3	-174.6	-65.8	-65.3	-6.3	0	0	112.6	I190 D191 F201	Q188-I190 HydrophobicContact CB-CG2 3.75Å; Q188-I190 PolarHBondContact O-N 2.93Å; Q188-D191 PolarHBondContact N-OD2 3.18Å; Q188-D191 WeakPolarHBondContact O-CA 3.34Å; Q188-D191 VanDerWaalsContact O-CB 3.26Å; Q188-D191 WeakPolarHBondContact O-CB 3.43Å; Q188-D191 PolarHBondContact O-N 3.04Å; Q188-F201 VanDerWaalsContact C-CE1 3.44Å; Q188-F201 VanDerWaalsContact C-CZ 3.48Å; Q188-F201 WeakPolarHBondContact O-CZ 3.32Å
189	Q	95.6	Very high	93.4	Very high	64 Å²	64	46.6 Å²	46.6	30%	0.299	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-58.2	-34.4	177.6	-78.6	-174.8	-45.9	0	0	112.1	D191 H192 P195 S196 F201	Q189-D191 PolarHBondContact O-N 2.6Å; Q189-D191 VanDerWaalsContact O-N 3.13Å; Q189-H192 PolarHBondContact O-N 3.14Å; Q189-H192 VanDerWaalsContact O-N 3.08Å; Q189-P195 HydrophobicContact CB-CB 4.16Å; Q189-P195 HydrophobicContact CB-CG 4.19Å; Q189-P195 HydrophobicContact CG-CB 3.95Å; Q189-P195 HydrophobicContact CG-CG 4.35Å; Q189-S196 PolarHBondContact NE2-O 2.83Å; Q189-F201 HydrophobicContact CB-CE1 4.28Å; Q189-F201 HydrophobicContact CB-CZ 4.36Å; Q189-F201 HydrophobicContact CG-CB 4.34Å; Q189-F201 HydrophobicContact CG-CD1 3.52Å; Q189-F201 HydrophobicContact CG-CD2 4.01Å; Q189-F201 HydrophobicContact CG-CE1 3.67Å; Q189-F201 HydrophobicContact CG-CE2 4.16Å; Q189-F201 HydrophobicContact CG-CG 3.69Å; Q189-F201 HydrophobicContact CG-CZ 4Å; Q189-F201 VanDerWaalsContact N-CE1 3.32Å
190	I	96.5	Very high	92.7	Very high	52 Å²	52	52.2 Å²	52.2	27%	0.267	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-62.6	-13.5	173.6	-168.2	167.1	0	0	0	114.3	Q188 T251 T253	Q188-I190 HydrophobicContact CB-CG2 3.75Å; Q188-I190 PolarHBondContact O-N 2.93Å; I190-T251 WeakPolarHBondContact CD1-O 3.38Å; I190-T253 HydrophobicContact CD1-CG2 3.84Å; I190-T253 HydrophobicContact CG1-CG2 4.08Å
191	D	97.6	Very high	92.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-92.8	8.9	175.7	-61.8	-37.3	0	0	0	113	S186 Q188 Q189 R246 T272 R273	S186-D191 WeakPolarHBondContact CB-O 3.44Å; Q188-D191 PolarHBondContact N-OD2 3.18Å; Q188-D191 WeakPolarHBondContact O-CA 3.34Å; Q188-D191 VanDerWaalsContact O-CB 3.26Å; Q188-D191 WeakPolarHBondContact O-CB 3.43Å; Q188-D191 PolarHBondContact O-N 3.04Å; Q189-D191 PolarHBondContact O-N 2.6Å; Q189-D191 VanDerWaalsContact O-N 3.13Å; D191-R246 IonicContact OD1-CZ 2.72Å; D191-R246 IonicContact OD1-NE 2.86Å; D191-R246 PolarHBondContact OD1-NE 3.2Å; D191-R246 IonicContact OD1-NH2 3.22Å; D191-R246 PolarHBondContact OD1-NH2 3.1Å; D191-T272 CarbonylContact O-C 3.53Å; D191-T272 WeakPolarHBondContact O-CA 3.27Å; D191-R273 HydrophobicContact CB-CB 3.98Å; D191-R273 VanDerWaalsContact CG-NE 3.35Å; D191-R273 VanDerWaalsContact CG-NH2 3.27Å; D191-R273 PolarHBondContact O-N 3.47Å; D191-R273 IonicContact OD1-CZ 2.65Å; D191-R273 IonicContact OD1-NE 3.96Å; D191-R273 PolarHBondContact OD1-NE 3.17Å; D191-R273 IonicContact OD1-NH2 3.27Å; D191-R273 PolarHBondContact OD1-NH2 3.07Å; D191-R273 VanDerWaalsContact OD1-NH2 3.15Å; D191-R273 IonicContact OD2-CZ 2.67Å; D191-R273 IonicContact OD2-NE 3.95Å; D191-R273 IonicContact OD2-NH2 2.73Å; D191-R273 PolarHBondContact OD2-NH2 3.33Å
192	H	96.6	Very high	91.6	Very high	60 Å²	60	54.8 Å²	54.8	28%	0.278	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-132.9	135.8	179.5	-156.5	-94.4	0	0	0	110.4	Q189 D194 P195 F201 T272	Q189-H192 PolarHBondContact O-N 3.14Å; Q189-H192 VanDerWaalsContact O-N 3.08Å; H192-D194 VanDerWaalsContact C-N 3.27Å; H192-D194 PolarHBondContact CE1-O 2.94Å; H192-D194 PolarHBondContact ND1-N 3.11Å; H192-D194 PolarHBondContact ND1-O 3.17Å; H192-D194 PolarHBondContact O-N 3.2Å; H192-P195 HydrophobicContact CB-CB 4.22Å; H192-F201 HydrophobicContact CB-CE2 4.24Å; H192-T272 WeakPolarHBondContact CD2-CG2 3.37Å
193	C	92.3	Very high	91.2	Very high	23 Å²	23	60.2 Å²	60.2	16%	0.155	32%	0.317	C	S	.	.	S	Bend	trans	-71.4	-18.1	-179.7	57.6	0	0	0	0	115.4	F256 Y270 G271	C193-F256 VanDerWaalsContact CA-CZ 3.49Å; C193-F256 HydrophobicContact CB-CD2 4.35Å; C193-F256 HydrophobicContact CB-CE2 3.63Å; C193-F256 HydrophobicContact CB-CZ 3.79Å; C193-Y270 HydrophobicContact CB-CD2 3.95Å; C193-Y270 HydrophobicContact CB-CE2 4.42Å; C193-Y270 HydrophobicContact CB-CG 4.18Å; C193-Y270 VanDerWaalsContact SG-CD1 3.57Å; C193-Y270 VanDerWaalsContact SG-CD2 3.54Å; C193-Y270 VanDerWaalsContact SG-CG 3.51Å; C193-G271 VanDerWaalsContact CB-O 3.25Å; C193-G271 WeakPolarHBondContact CB-O 3.48Å; C193-G271 PolarHBondContact N-O 2.81Å; C193-G271 PolarHBondContact SG-N 3.35Å; C193-G271 VanDerWaalsContact SG-N 3.42Å; C193-G271 PolarHBondContact SG-O 3.5Å
194	D	88.8	Confident	90.9	Very high	75 Å²	75	63.3 Å²	63.3	40%	0.401	33%	0.334	S	S	.	.	S	Bend	trans	-157	65.7	-171.3	-160	2.1	0	0	0	108.7	H192 Y270	H192-D194 VanDerWaalsContact C-N 3.27Å; H192-D194 PolarHBondContact CE1-O 2.94Å; H192-D194 PolarHBondContact ND1-N 3.11Å; H192-D194 PolarHBondContact ND1-O 3.17Å; H192-D194 PolarHBondContact O-N 3.2Å; D194-Y270 HydrophobicContact CB-CE2 3.68Å; D194-Y270 WeakPolarHBondContact CB-OH 3.1Å; D194-Y270 WeakPolarHBondContact OD2-CE2 3.41Å; D194-Y270 PolarHBondContact OD2-OH 3.49Å
195	P	88.1	Confident	90.7	Very high	51 Å²	51	64 Å²	64	33%	0.331	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-69.3	149.7	-174	29.2	-34	0	0	0	111.5	Q189 H192 F201	Q189-P195 HydrophobicContact CB-CB 4.16Å; Q189-P195 HydrophobicContact CB-CG 4.19Å; Q189-P195 HydrophobicContact CG-CB 3.95Å; Q189-P195 HydrophobicContact CG-CG 4.35Å; H192-P195 HydrophobicContact CB-CB 4.22Å; P195-F201 HydrophobicContact CB-CD2 3.85Å; P195-F201 HydrophobicContact CB-CE2 3.82Å
196	S	82.6	Confident	90.6	Very high	53 Å²	53	63.7 Å²	63.7	37%	0.371	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-63.6	165.6	163.7	57.4	0	0	0	0	111.3	Q189 F201	Q189-S196 PolarHBondContact NE2-O 2.83Å; S196-F201 WeakPolarHBondContact OG-CA 3.3Å; S196-F201 PolarHBondContact OG-N 2.91Å
197	D	85.2	Confident	90.5	Very high	134 Å²	134	64.2 Å²	64.2	72%	0.717	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-50.1	151.9	170.5	-63.7	-63.4	0	0	0	112	E199 D200 F201	D197-E199 VanDerWaalsContact C-N 3.31Å; D197-E199 PolarHBondContact O-N 3.16Å; D197-D200 PolarHBondContact O-N 3.34Å; D197-F201 WeakPolarHBondContact O-CB 3.48Å; D197-F201 PolarHBondContact O-N 3.32Å
198	M	79.9	Confident	90.4	Very high	139 Å²	139	67.6 Å²	67.6	69%	0.685	35%	0.354	S	S	*	.	H	α-helix	trans	-58.3	-39.2	-162.5	-170.1	-179.5	-68.6	0	0	113.6	F201 A202	M198-F201 PolarHBondContact O-N 2.96Å; M198-A202 WeakPolarHBondContact O-CB 3.13Å; M198-A202 PolarHBondContact O-N 3.07Å
199	E	80.7	Confident	90.5	Very high	164 Å²	164	64.5 Å²	64.5	77%	0.766	34%	0.338	S	S	*	.	H	α-helix	trans	-67.1	-55.4	179.5	-61.5	178.7	-176.8	0	0	111.4	D197 F201 A202 E203	D197-E199 VanDerWaalsContact C-N 3.31Å; D197-E199 PolarHBondContact O-N 3.16Å; E199-F201 PolarHBondContact O-N 3.42Å; E199-A202 PolarHBondContact O-N 2.96Å; E199-E203 PolarHBondContact O-N 3.45Å
200	D	84.4	Confident	90.5	Very high	120 Å²	120	61.4 Å²	61.4	64%	0.642	32%	0.324	S	S	*	.	H	α-helix	trans	-56.3	-33.5	174.1	-92.7	-5	0	0	0	112.3	D197	D197-D200 PolarHBondContact O-N 3.34Å
201	F	87	Confident	90.4	Very high	10 Å²	10	62.4 Å²	62.4	4%	0.044	33%	0.33	C	S	.	.	H	α-helix	trans	-69	-46.4	175	-163.8	-92.3	0	0	0	111.2	Q188 Q189 H192 P195 S196 D197 M198 E199 E203 R207	Q188-F201 VanDerWaalsContact C-CE1 3.44Å; Q188-F201 VanDerWaalsContact C-CZ 3.48Å; Q188-F201 WeakPolarHBondContact O-CZ 3.32Å; Q189-F201 HydrophobicContact CB-CE1 4.28Å; Q189-F201 HydrophobicContact CB-CZ 4.36Å; Q189-F201 HydrophobicContact CG-CB 4.34Å; Q189-F201 HydrophobicContact CG-CD1 3.52Å; Q189-F201 HydrophobicContact CG-CD2 4.01Å; Q189-F201 HydrophobicContact CG-CE1 3.67Å; Q189-F201 HydrophobicContact CG-CE2 4.16Å; Q189-F201 HydrophobicContact CG-CG 3.69Å; Q189-F201 HydrophobicContact CG-CZ 4Å; Q189-F201 VanDerWaalsContact N-CE1 3.32Å; H192-F201 HydrophobicContact CB-CE2 4.24Å; P195-F201 HydrophobicContact CB-CD2 3.85Å; P195-F201 HydrophobicContact CB-CE2 3.82Å; S196-F201 WeakPolarHBondContact OG-CA 3.3Å; S196-F201 PolarHBondContact OG-N 2.91Å; D197-F201 WeakPolarHBondContact O-CB 3.48Å; D197-F201 PolarHBondContact O-N 3.32Å; M198-F201 PolarHBondContact O-N 2.96Å; E199-F201 PolarHBondContact O-N 3.42Å; F201-E203 VanDerWaalsContact C-N 3.3Å; F201-E203 PolarHBondContact O-N 2.93Å; F201-R207 VanDerWaalsContact CE1-CD 3.47Å; F201-R207 WeakPolarHBondContact O-CD 3.46Å; F201-R207 PolarHBondContact O-NH1 3Å
202	A	87.4	Confident	90.3	Very high	46 Å²	46	65.1 Å²	65.1	38%	0.38	35%	0.348	S	S	.	.	H	α-helix	trans	-64.5	-31.7	178.4	0	0	0	0	0	113	M198 E199 N204 K208	M198-A202 WeakPolarHBondContact O-CB 3.13Å; M198-A202 PolarHBondContact O-N 3.07Å; E199-A202 PolarHBondContact O-N 2.96Å; A202-N204 PolarHBondContact O-N 3.35Å; A202-N204 VanDerWaalsContact O-N 3.14Å; A202-K208 WeakPolarHBondContact O-CE 3.5Å; A202-K208 WeakPolarHBondContact O-CG 3.35Å
203	E	90.1	Very high	90.2	Very high	116 Å²	116	62.3 Å²	62.3	54%	0.542	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-6.3	-177.8	-79.3	-52.1	122.4	0	0	115.9	E199 F201 P205 K208	E199-E203 PolarHBondContact O-N 3.45Å; F201-E203 VanDerWaalsContact C-N 3.3Å; F201-E203 PolarHBondContact O-N 2.93Å; E203-P205 WeakPolarHBondContact O-CD 3.4Å; E203-K208 WeakPolarHBondContact OE1-CE 3.48Å; E203-K208 IonicContact OE1-NZ 2.63Å; E203-K208 PolarHBondContact OE1-NZ 2.71Å; E203-K208 IonicContact OE2-NZ 3.07Å; E203-K208 PolarHBondContact OE2-NZ 2.79Å
204	N	92.4	Very high	90.4	Very high	66 Å²	66	61.6 Å²	61.6	35%	0.353	33%	0.33	S	S	.	.			trans	-65.5	119.5	176.5	-167.9	-63.6	0	0	0	111.3	A202 G206 R207 K208	A202-N204 PolarHBondContact O-N 3.35Å; A202-N204 VanDerWaalsContact O-N 3.14Å; N204-G206 PolarHBondContact O-N 3.49Å; N204-G206 VanDerWaalsContact O-N 3.16Å; N204-G206 PolarHBondContact OD1-N 2.8Å; N204-R207 HydrophobicContact CB-CB 3.94Å; N204-R207 WeakPolarHBondContact O-CA 3.44Å; N204-R207 VanDerWaalsContact O-CB 3.31Å; N204-R207 WeakPolarHBondContact O-CB 3.49Å; N204-R207 PolarHBondContact O-N 3.03Å; N204-K208 PolarHBondContact O-N 3.41Å
205	P	93.6	Very high	90.5	Very high	43 Å²	43	60.3 Å²	60.3	28%	0.279	32%	0.32	S	S	.	.	H	α-helix	trans	-67.5	-23	-174.1	26.5	-35	0	0	0	113.3	L157 E203 R207 W209	L157-P205 HydrophobicContact CD1-CB 4.06Å; L157-P205 HydrophobicContact CD1-CG 4.14Å; L157-P205 HydrophobicContact CD2-CB 4.02Å; L157-P205 HydrophobicContact CD2-CG 4.3Å; E203-P205 WeakPolarHBondContact O-CD 3.4Å; P205-R207 VanDerWaalsContact C-N 3.31Å; P205-W209 PolarHBondContact O-N 2.65Å
206	G	94.9	Very high	90	Very high	2 Å²	2	60.5 Å²	60.5	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-73.5	-24.6	171.4	0	0	0	0	0	113.4	N204 L210	N204-G206 PolarHBondContact O-N 3.49Å; N204-G206 VanDerWaalsContact O-N 3.16Å; N204-G206 PolarHBondContact OD1-N 2.8Å; G206-L210 WeakPolarHBondContact O-CG 3.39Å; G206-L210 PolarHBondContact O-N 3.07Å; G206-L210 VanDerWaalsContact O-N 3.16Å
207	R	95.1	Very high	89.1	Confident	19 Å²	19	61.6 Å²	61.6	7%	0.072	33%	0.33	C	S	.	.	H	α-helix	trans	-82.5	-39.6	174.6	-171.4	168.4	-67.6	127.9	-0.8	111.4	T185 S186 H187 F201 N204 P205 W209 L210 N211	T185-R207 HydrophobicContact CG2-CB 4.46Å; S186-R207 VanDerWaalsContact O-CZ 3.27Å; S186-R207 PolarHBondContact O-NE 3.35Å; S186-R207 PolarHBondContact O-NH2 3.29Å; S186-R207 PolarHBondContact OG-NH2 3.07Å; H187-R207 WeakPolarHBondContact O-CD 3.28Å; H187-R207 WeakPolarHBondContact O-CG 3.33Å; H187-R207 PolarHBondContact O-NE 3.04Å; F201-R207 VanDerWaalsContact CE1-CD 3.47Å; F201-R207 WeakPolarHBondContact O-CD 3.46Å; F201-R207 PolarHBondContact O-NH1 3Å; N204-R207 HydrophobicContact CB-CB 3.94Å; N204-R207 WeakPolarHBondContact O-CA 3.44Å; N204-R207 VanDerWaalsContact O-CB 3.31Å; N204-R207 WeakPolarHBondContact O-CB 3.49Å; N204-R207 PolarHBondContact O-N 3.03Å; P205-R207 VanDerWaalsContact C-N 3.31Å; R207-W209 VanDerWaalsContact C-N 3.27Å; R207-W209 PolarHBondContact O-N 3.08Å; R207-L210 PolarHBondContact O-N 2.83Å; R207-L210 VanDerWaalsContact O-N 3.13Å; R207-N211 PolarHBondContact O-N 2.85Å; R207-N211 PolarHBondContact O-OD1 2.88Å
208	K	94.9	Very high	87.9	Confident	93 Å²	93	57.4 Å²	57.4	40%	0.404	31%	0.314	S	S	.	.	H	α-helix	trans	-56.6	-42.1	167.6	-68.3	-175.1	166.9	179.8	0	111.5	A202 E203 N204 N211 S212	A202-K208 WeakPolarHBondContact O-CE 3.5Å; A202-K208 WeakPolarHBondContact O-CG 3.35Å; E203-K208 WeakPolarHBondContact OE1-CE 3.48Å; E203-K208 IonicContact OE1-NZ 2.63Å; E203-K208 PolarHBondContact OE1-NZ 2.71Å; E203-K208 IonicContact OE2-NZ 3.07Å; E203-K208 PolarHBondContact OE2-NZ 2.79Å; N204-K208 PolarHBondContact O-N 3.41Å; K208-N211 PolarHBondContact O-N 2.88Å; K208-S212 PolarHBondContact O-N 2.66Å; K208-S212 PolarHBondContact O-OG 3.29Å
209	W	95.9	Very high	86.6	Confident	24 Å²	24	52.3 Å²	52.3	9%	0.091	29%	0.289	C	S	.	.	H	α-helix	trans	-59.4	-51.2	170.2	175.2	68	0	0	0	112.5	Y160 L163 Q164 V183 P205 R207 N211 S212 F213	Y160-W209 HydrophobicContact CD1-CD2 4.43Å; Y160-W209 AromaticContact CD1-CE3 3.93Å; Y160-W209 HydrophobicContact CD1-CE3 3.93Å; Y160-W209 HydrophobicContact CD1-CH2 4.12Å; Y160-W209 AromaticContact CD1-CZ3 3.75Å; Y160-W209 HydrophobicContact CD1-CZ3 3.75Å; Y160-W209 HydrophobicContact CD2-CB 4.22Å; Y160-W209 AromaticContact CD2-CD2 3.7Å; Y160-W209 HydrophobicContact CD2-CD2 3.7Å; Y160-W209 AromaticContact CD2-CE3 3.44Å; Y160-W209 HydrophobicContact CD2-CE3 3.44Å; Y160-W209 VanDerWaalsContact CD2-CE3 3.44Å; Y160-W209 HydrophobicContact CD2-CG 4.02Å; Y160-W209 HydrophobicContact CD2-CZ3 4.13Å; Y160-W209 HydrophobicContact CE1-CE3 4.11Å; Y160-W209 AromaticContact CE1-CZ3 3.83Å; Y160-W209 HydrophobicContact CE1-CZ3 3.83Å; Y160-W209 HydrophobicContact CE2-CD2 4.35Å; Y160-W209 AromaticContact CE2-CE3 3.65Å; Y160-W209 HydrophobicContact CE2-CE3 3.65Å; Y160-W209 HydrophobicContact CE2-CZ3 4.21Å; Y160-W209 AromaticContact CG-CD2 3.73Å; Y160-W209 HydrophobicContact CG-CD2 3.73Å; Y160-W209 AromaticContact CG-CE3 3.57Å; Y160-W209 HydrophobicContact CG-CE3 3.57Å; Y160-W209 HydrophobicContact CG-CG 4.32Å; Y160-W209 HydrophobicContact CG-CH2 4.34Å; Y160-W209 HydrophobicContact CG-CZ2 4.47Å; Y160-W209 AromaticContact CG-CZ3 3.89Å; Y160-W209 HydrophobicContact CG-CZ3 3.89Å; Y160-W209 AromaticContact CZ-CE3 3.95Å; L163-W209 HydrophobicContact CD2-CH2 4.4Å; Q164-W209 HydrophobicContact CB-CZ2 4.47Å; V183-W209 HydrophobicContact CG1-CZ3 4.19Å; P205-W209 PolarHBondContact O-N 2.65Å; R207-W209 VanDerWaalsContact C-N 3.27Å; R207-W209 PolarHBondContact O-N 3.08Å; W209-N211 VanDerWaalsContact C-N 3.28Å; W209-N211 PolarHBondContact O-N 3.4Å; W209-S212 CarbonylContact O-C 3.58Å; W209-S212 PolarHBondContact O-N 3.08Å; W209-S212 PolarHBondContact O-OG 2.67Å; W209-F213 HydrophobicContact CD2-CB 4.43Å; W209-F213 HydrophobicContact CH2-CD1 4.04Å; W209-F213 HydrophobicContact CH2-CE1 4.44Å; W209-F213 HydrophobicContact CH2-CG 4.11Å; W209-F213 HydrophobicContact CZ2-CB 4.06Å; W209-F213 HydrophobicContact CZ2-CD1 4.04Å; W209-F213 AromaticContact CZ2-CD2 3.73Å; W209-F213 HydrophobicContact CZ2-CD2 3.73Å; W209-F213 HydrophobicContact CZ2-CE2 4.23Å; W209-F213 AromaticContact CZ2-CG 3.63Å; W209-F213 HydrophobicContact CZ2-CG 3.63Å; W209-F213 VanDerWaalsContact O-CB 3.3Å; W209-F213 WeakPolarHBondContact O-CB 3.25Å; W209-F213 PolarHBondContact O-N 3.43Å
210	L	96.6	Very high	85.3	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-56.5	-39.7	177.1	-77.3	172.3	0	0	0	112.7	V183 T185 H187 G206 R207 S212 F213 L214 F278	V183-L210 HydrophobicContact CG1-CD2 4.4Å; T185-L210 HydrophobicContact CG2-CD1 3.79Å; H187-L210 HydrophobicContact CB-CD1 4.09Å; G206-L210 WeakPolarHBondContact O-CG 3.39Å; G206-L210 PolarHBondContact O-N 3.07Å; G206-L210 VanDerWaalsContact O-N 3.16Å; R207-L210 PolarHBondContact O-N 2.83Å; R207-L210 VanDerWaalsContact O-N 3.13Å; L210-S212 VanDerWaalsContact C-N 3.29Å; L210-S212 PolarHBondContact O-N 2.89Å; L210-F213 PolarHBondContact O-N 2.77Å; L210-L214 HydrophobicContact CB-CD1 4.46Å; L210-L214 HydrophobicContact CD2-CD1 4.12Å; L210-L214 HydrophobicContact CD2-CG 4.42Å; L210-L214 WeakPolarHBondContact O-CB 3.48Å; L210-L214 WeakPolarHBondContact O-CG 3.39Å; L210-L214 PolarHBondContact O-N 3.24Å; L210-F278 HydrophobicContact CD2-CE2 4.27Å; L210-F278 HydrophobicContact CD2-CZ 3.81Å
211	N	94.5	Very high	83.8	Confident	73 Å²	73	50.2 Å²	50.2	39%	0.39	28%	0.275	S	S	.	.	H	α-helix	trans	-65.9	-28	176.5	-68.6	-0.8	0	0	0	113.5	H187 R207 K208 W209	H187-N211 PolarHBondContact CD2-OD1 3.18Å; H187-N211 PolarHBondContact NE2-OD1 3.2Å; R207-N211 PolarHBondContact O-N 2.85Å; R207-N211 PolarHBondContact O-OD1 2.88Å; K208-N211 PolarHBondContact O-N 2.88Å; W209-N211 VanDerWaalsContact C-N 3.28Å; W209-N211 PolarHBondContact O-N 3.4Å
212	S	94.2	Very high	82.2	Confident	56 Å²	56	55.9 Å²	55.9	39%	0.392	30%	0.302	S	S	.	.	H	α-helix	trans	-88.2	-18.2	173.3	64.5	0	0	0	0	113.9	K208 W209 L210	K208-S212 PolarHBondContact O-N 2.66Å; K208-S212 PolarHBondContact O-OG 3.29Å; W209-S212 CarbonylContact O-C 3.58Å; W209-S212 PolarHBondContact O-N 3.08Å; W209-S212 PolarHBondContact O-OG 2.67Å; L210-S212 VanDerWaalsContact C-N 3.29Å; L210-S212 PolarHBondContact O-N 2.89Å
213	F	95.8	Very high	80.5	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.009	30%	0.298	C	S	.	.	H	α-helix	trans	-92.7	-38.2	-176.8	-177.9	-103.3	0	0	0	112	Q164 I179 W209 L210 G239 K240 F241 F278	Q164-F213 HydrophobicContact CB-CD2 4.07Å; Q164-F213 HydrophobicContact CB-CE2 4.14Å; Q164-F213 HydrophobicContact CG-CD2 3.81Å; Q164-F213 HydrophobicContact CG-CE2 4.03Å; I179-F213 HydrophobicContact CD1-CE1 4.29Å; I179-F213 HydrophobicContact CD1-CE2 4.46Å; I179-F213 HydrophobicContact CD1-CZ 3.57Å; W209-F213 HydrophobicContact CD2-CB 4.43Å; W209-F213 HydrophobicContact CH2-CD1 4.04Å; W209-F213 HydrophobicContact CH2-CE1 4.44Å; W209-F213 HydrophobicContact CH2-CG 4.11Å; W209-F213 HydrophobicContact CZ2-CB 4.06Å; W209-F213 HydrophobicContact CZ2-CD1 4.04Å; W209-F213 AromaticContact CZ2-CD2 3.73Å; W209-F213 HydrophobicContact CZ2-CD2 3.73Å; W209-F213 HydrophobicContact CZ2-CE2 4.23Å; W209-F213 AromaticContact CZ2-CG 3.63Å; W209-F213 HydrophobicContact CZ2-CG 3.63Å; W209-F213 VanDerWaalsContact O-CB 3.3Å; W209-F213 WeakPolarHBondContact O-CB 3.25Å; W209-F213 PolarHBondContact O-N 3.43Å; L210-F213 PolarHBondContact O-N 2.77Å; F213-G239 CarbonylContact O-C 3.57Å; F213-G239 WeakPolarHBondContact O-CA 3.29Å; F213-K240 PolarHBondContact O-N 2.94Å; F213-K240 VanDerWaalsContact O-N 3.17Å; F213-F241 HydrophobicContact CD1-CB 4.39Å; F213-F241 HydrophobicContact CD2-CD2 4.23Å; F213-F241 HydrophobicContact CE1-CB 3.78Å; F213-F241 AromaticContact CE1-CD2 3.8Å; F213-F241 HydrophobicContact CE1-CD2 3.8Å; F213-F241 AromaticContact CE1-CG 3.8Å; F213-F241 HydrophobicContact CE1-CG 3.8Å; F213-F241 AromaticContact CE2-CD2 3.44Å; F213-F241 HydrophobicContact CE2-CD2 3.44Å; F213-F241 VanDerWaalsContact CE2-CD2 3.44Å; F213-F241 AromaticContact CE2-CE2 3.65Å; F213-F241 HydrophobicContact CE2-CE2 3.65Å; F213-F241 HydrophobicContact CE2-CG 4.27Å; F213-F241 HydrophobicContact CZ-CB 4.05Å; F213-F241 HydrophobicContact CZ-CD1 4.2Å; F213-F241 AromaticContact CZ-CD2 3.16Å; F213-F241 HydrophobicContact CZ-CD2 3.16Å; F213-F241 AromaticContact CZ-CE2 3.6Å; F213-F241 HydrophobicContact CZ-CE2 3.6Å; F213-F241 AromaticContact CZ-CG 3.53Å; F213-F241 HydrophobicContact CZ-CG 3.53Å; F213-F241 HydrophobicContact CZ-CZ 4.29Å; F213-F278 HydrophobicContact CE1-CD2 4.01Å; F213-F278 HydrophobicContact CE1-CE2 4.45Å; F213-F278 HydrophobicContact CE1-CG 4.46Å
214	L	96	Very high	78.7	Confident	7 Å²	7	57.5 Å²	57.5	4%	0.037	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-91.6	136.5	-178.7	-59.9	177.4	0	0	0	111.7	L210 F241 D243 F278	L210-L214 HydrophobicContact CB-CD1 4.46Å; L210-L214 HydrophobicContact CD2-CD1 4.12Å; L210-L214 HydrophobicContact CD2-CG 4.42Å; L210-L214 WeakPolarHBondContact O-CB 3.48Å; L210-L214 WeakPolarHBondContact O-CG 3.39Å; L210-L214 PolarHBondContact O-N 3.24Å; L214-F241 CarbonylContact C-O 3.51Å; L214-F241 WeakPolarHBondContact CA-O 3.32Å; L214-F241 HydrophobicContact CD2-CB 4.18Å; L214-D243 HydrophobicContact CD1-CB 4.32Å; L214-F278 HydrophobicContact CD1-CE1 3.94Å; L214-F278 HydrophobicContact CD1-CZ 4.41Å; L214-F278 HydrophobicContact CD2-CD1 3.56Å; L214-F278 HydrophobicContact CD2-CE1 3.66Å; L214-F278 HydrophobicContact CD2-CG 4.09Å; L214-F278 HydrophobicContact CD2-CZ 4.24Å; L214-F278 HydrophobicContact CG-CE1 4.4Å
215	Y	90.4	Very high	76.9	Confident	48 Å²	48	61.2 Å²	61.2	19%	0.188	32%	0.316	C	S	.	.			trans	-68.4	139.5	174.6	176.8	-90.8	0	0	0	110.9	E220 M238 G239 F241 I242 H281	Y215-E220 PolarHBondContact OH-OE1 3.07Å; Y215-E220 PolarHBondContact OH-OE2 3.41Å; Y215-M238 HydrophobicContact CD2-CE 4.02Å; Y215-M238 HydrophobicContact CE2-CE 3.63Å; Y215-M238 HydrophobicContact CE2-SD 4.33Å; Y215-G239 WeakPolarHBondContact CB-O 3.46Å; Y215-F241 PolarHBondContact N-O 3.33Å; Y215-I242 HydrophobicContact CD1-CD1 4.22Å; Y215-I242 HydrophobicContact CD1-CG1 4.17Å; Y215-I242 HydrophobicContact CG-CG1 4.46Å; Y215-H281 AromaticContact CD1-CD2 3.87Å; Y215-H281 AromaticContact CD2-CD2 3.8Å; Y215-H281 AromaticContact CE1-CD2 3.66Å; Y215-H281 AromaticContact CE1-NE2 3.77Å; Y215-H281 AromaticContact CE2-CD2 3.6Å; Y215-H281 AromaticContact CE2-NE2 3.83Å; Y215-H281 AromaticContact CG-CD2 3.91Å; Y215-H281 AromaticContact CZ-CD2 3.49Å; Y215-H281 VanDerWaalsContact CZ-CD2 3.49Å; Y215-H281 AromaticContact CZ-NE2 3.39Å; Y215-H281 PolarHBondContact OH-NE2 3.27Å
216	S	78.7	Confident	74.9	Confident	56 Å²	56	65 Å²	65	39%	0.392	33%	0.33	S	S	.	.			trans	-135.3	129.2	174.2	-179.2	0	0	0	0	109.9	A218 Q219	S216-A218 PolarHBondContact O-N 3.02Å; S216-Q219 WeakPolarHBondContact O-CB 3.38Å; S216-Q219 PolarHBondContact O-N 3.32Å
217	S	63.8	Low	73	Confident	75 Å²	75	71.8 Å²	71.8	52%	0.524	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.5	179.9	58	0	0	0	0	113.3	Q219 E220	S217-Q219 PolarHBondContact O-N 2.95Å; S217-E220 WeakPolarHBondContact O-CB 3.39Å; S217-E220 PolarHBondContact O-N 2.81Å
218	A	59.2	Low	71	Confident	46 Å²	46	77.7 Å²	77.7	38%	0.38	39%	0.391	S	S	.	.	H	α-helix	trans	-61.9	-22.8	172.7	0	0	0	0	0	112.8	S216 E220 E222	S216-A218 PolarHBondContact O-N 3.02Å; A218-E220 VanDerWaalsContact C-N 3.32Å; A218-E222 PolarHBondContact O-N 2.66Å
219	Q	53.7	Low	69	Low	33 Å²	33	81.8 Å²	81.8	15%	0.154	41%	0.412	C	S	.	.	H	α-helix	trans	-75.9	-20.3	175.2	-62.4	175.5	-56.7	0	0	112.4	S216 S217 E223 M238	S216-Q219 WeakPolarHBondContact O-CB 3.38Å; S216-Q219 PolarHBondContact O-N 3.32Å; S217-Q219 PolarHBondContact O-N 2.95Å; Q219-E223 WeakPolarHBondContact O-CB 3.34Å; Q219-E223 WeakPolarHBondContact O-CG 3.37Å; Q219-E223 PolarHBondContact O-N 3.17Å; Q219-M238 HydrophobicContact CB-CE 3.73Å
220	E	53.3	Low	66.6	Low	93 Å²	93	83.4 Å²	83.4	44%	0.435	43%	0.427	S	S	.	.	H	α-helix	trans	-72.1	-41.1	173.4	-59.4	-178.7	118.4	0	0	110.7	Y215 S217 A218 E223 E224 M238	Y215-E220 PolarHBondContact OH-OE1 3.07Å; Y215-E220 PolarHBondContact OH-OE2 3.41Å; S217-E220 WeakPolarHBondContact O-CB 3.39Å; S217-E220 PolarHBondContact O-N 2.81Å; A218-E220 VanDerWaalsContact C-N 3.32Å; E220-E223 PolarHBondContact O-N 3.44Å; E220-E224 WeakPolarHBondContact O-CB 3.22Å; E220-E224 PolarHBondContact O-N 3.04Å; E220-M238 HydrophobicContact CG-CE 3.59Å
221	E	53.2	Low	64.4	Low	146 Å²	146	93.1 Å²	93.1	68%	0.682	47%	0.472	S	S	*	.	H	α-helix	trans	-63.8	-44.1	175	-63	177.9	-179.4	0	0	110.8	E224 E225	E221-E224 PolarHBondContact O-N 3.48Å; E221-E225 PolarHBondContact O-N 3.14Å
222	E	52.8	Low	62	Low	130 Å²	130	95.3 Å²	95.3	61%	0.607	49%	0.488	S	S	*	.	H	α-helix	trans	-65.2	-42.7	174.9	-71.5	178.3	176.9	0	0	113.1	A218 E225 H226	A218-E222 PolarHBondContact O-N 2.66Å; E222-E225 PolarHBondContact O-N 2.95Å; E222-H226 WeakPolarHBondContact O-CB 3.09Å; E222-H226 PolarHBondContact O-N 3.45Å
223	E	50.6	Low	59.7	Low	67 Å²	67	98.6 Å²	98.6	31%	0.313	51%	0.506	S	S	.	.	H	α-helix	trans	-65.2	-40.4	175.7	-81.1	-161.4	163.2	0	0	112	Q219 E220 E225 H226 L227	Q219-E223 WeakPolarHBondContact O-CB 3.34Å; Q219-E223 WeakPolarHBondContact O-CG 3.37Å; Q219-E223 PolarHBondContact O-N 3.17Å; E220-E223 PolarHBondContact O-N 3.44Å; E223-E225 VanDerWaalsContact C-N 3.27Å; E223-E225 PolarHBondContact O-N 3.38Å; E223-H226 PolarHBondContact O-N 3.31Å; E223-L227 WeakPolarHBondContact O-CB 3.15Å; E223-L227 WeakPolarHBondContact O-CD1 3.16Å; E223-L227 VanDerWaalsContact O-CG 3.23Å; E223-L227 WeakPolarHBondContact O-CG 3.42Å; E223-L227 PolarHBondContact O-N 3.4Å
224	E	52.9	Low	57	Low	129 Å²	129	105.8 Å²	105.8	60%	0.603	55%	0.545	S	S	*	.	H	α-helix	trans	-61.1	-34.2	176.1	-94.5	-141.9	-153.6	0	0	112.6	E220 E221 K228	E220-E224 WeakPolarHBondContact O-CB 3.22Å; E220-E224 PolarHBondContact O-N 3.04Å; E221-E224 PolarHBondContact O-N 3.48Å; E224-K228 VanDerWaalsContact O-CD 3.31Å; E224-K228 WeakPolarHBondContact O-CD 3.39Å; E224-K228 VanDerWaalsContact O-CE 3.28Å; E224-K228 WeakPolarHBondContact O-CE 3.5Å; E224-K228 WeakPolarHBondContact O-CG 3.37Å; E224-K228 PolarHBondContact O-NZ 2.89Å; E224-K228 IonicContact OE2-NZ 2.69Å; E224-K228 PolarHBondContact OE2-NZ 3.03Å
225	E	53.9	Low	54.5	Low	144 Å²	144	110.9 Å²	110.9	67%	0.673	58%	0.58	S	S	*	*	H	α-helix	trans	-78.2	-43.8	173.5	-66.2	-160.7	152	0	0	112.3	E221 E222 E223 L227 K228	E221-E225 PolarHBondContact O-N 3.14Å; E222-E225 PolarHBondContact O-N 2.95Å; E223-E225 VanDerWaalsContact C-N 3.27Å; E223-E225 PolarHBondContact O-N 3.38Å; E225-L227 VanDerWaalsContact C-N 3.32Å; E225-L227 PolarHBondContact O-N 2.86Å; E225-K228 WeakPolarHBondContact O-CB 3.32Å; E225-K228 PolarHBondContact O-N 3Å
226	H	53.4	Low	52.6	Low	123 Å²	123	112.4 Å²	112.4	57%	0.569	59%	0.594	S	S	*	*	H	α-helix	trans	-64.7	-33	-179.2	-117.2	34.8	0	0	0	113.7	E222 E223 K228 E229 S230	E222-H226 WeakPolarHBondContact O-CB 3.09Å; E222-H226 PolarHBondContact O-N 3.45Å; E223-H226 PolarHBondContact O-N 3.31Å; H226-K228 PolarHBondContact O-N 2.8Å; H226-K228 VanDerWaalsContact O-N 3.16Å; H226-E229 PolarHBondContact O-N 3.17Å; H226-S230 PolarHBondContact O-N 3.38Å
227	L	53.1	Low	51.8	Low	144 Å²	144	115.4 Å²	115.4	75%	0.754	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-10.8	173.3	-74.2	168.8	0	0	0	113.7	E223 E225	E223-L227 WeakPolarHBondContact O-CB 3.15Å; E223-L227 WeakPolarHBondContact O-CD1 3.16Å; E223-L227 VanDerWaalsContact O-CG 3.23Å; E223-L227 WeakPolarHBondContact O-CG 3.42Å; E223-L227 PolarHBondContact O-N 3.4Å; E225-L227 VanDerWaalsContact C-N 3.32Å; E225-L227 PolarHBondContact O-N 2.86Å
228	K	54.1	Low	52.4	Low	142 Å²	142	113.7 Å²	113.7	62%	0.617	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-13.7	177.4	-61.2	169	-179.2	112.5	0	113.2	E224 E225 H226	E224-K228 VanDerWaalsContact O-CD 3.31Å; E224-K228 WeakPolarHBondContact O-CD 3.39Å; E224-K228 VanDerWaalsContact O-CE 3.28Å; E224-K228 WeakPolarHBondContact O-CE 3.5Å; E224-K228 WeakPolarHBondContact O-CG 3.37Å; E224-K228 PolarHBondContact O-NZ 2.89Å; E224-K228 IonicContact OE2-NZ 2.69Å; E224-K228 PolarHBondContact OE2-NZ 3.03Å; E225-K228 WeakPolarHBondContact O-CB 3.32Å; E225-K228 PolarHBondContact O-N 3Å; H226-K228 PolarHBondContact O-N 2.8Å; H226-K228 VanDerWaalsContact O-N 3.16Å
229	E	52	Low	53.8	Low	179 Å²	179	111.7 Å²	111.7	84%	0.836	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.2	-8.9	-170.5	-65.8	-158.3	138.2	0	0	117.2	H226	H226-E229 PolarHBondContact O-N 3.17Å
230	S	45.4	Very low	55.8	Low	58 Å²	58	113.4 Å²	113.4	41%	0.406	58%	0.577	S	S	.	*			trans	-133.5	119.2	-175.8	-174.1	0	0	0	0	115.9	H226 T232	H226-S230 PolarHBondContact O-N 3.38Å; S230-T232 PolarHBondContact OG-N 3.32Å; S230-T232 PolarHBondContact OG-O 3.09Å; S230-T232 PolarHBondContact OG-OG1 3.47Å
231	E	50.7	Low	57.9	Low	204 Å²	204	109 Å²	109	95%	0.953	56%	0.556	S	S	*	*	S	Bend	trans	-79.6	-0.8	161.5	-70.5	-166.6	138.3	0	0	113.1
232	T	44.5	Very low	60	Low	119 Å²	119	102.7 Å²	102.7	73%	0.73	53%	0.527	S	S	*	.	S	Bend	trans	-101.3	107.7	-179.3	43	0	0	0	0	111.6	S230 N234	S230-T232 PolarHBondContact OG-N 3.32Å; S230-T232 PolarHBondContact OG-O 3.09Å; S230-T232 PolarHBondContact OG-OG1 3.47Å; T232-N234 PolarHBondContact O-N 3.41Å; T232-N234 VanDerWaalsContact O-N 3.14Å
233	T	45.8	Very low	62.2	Low	126 Å²	126	97 Å²	97	77%	0.773	50%	0.5	S	S	*	.			trans	-73.9	100.4	-169.1	54.9	0	0	0	0	113.6
234	N	39.9	Very low	64.5	Low	153 Å²	153	93.8 Å²	93.8	82%	0.818	49%	0.485	S	S	*	.			trans	-124.1	83	153.6	-97.1	-24.4	0	0	0	107.8	T232 V236	T232-N234 PolarHBondContact O-N 3.41Å; T232-N234 VanDerWaalsContact O-N 3.14Å; N234-V236 PolarHBondContact O-N 3.06Å
235	C	43.8	Very low	66.7	Low	113 Å²	113	87.9 Å²	87.9	76%	0.764	46%	0.458	S	S	*	.			trans	-62.5	119.4	177.8	-52	0	0	0	0	109.5	Q237	C235-Q237 PolarHBondContact O-N 3.38Å
236	V	50.5	Low	68.8	Low	80 Å²	80	82.4 Å²	82.4	49%	0.485	43%	0.431	S	S	.	.			trans	-70.6	94.8	173.6	177.9	0	0	0	0	107.1	N234 M238	N234-V236 PolarHBondContact O-N 3.06Å; V236-M238 PolarHBondContact O-N 3.33Å
237	Q	60.9	Low	70.9	Confident	119 Å²	119	81.5 Å²	81.5	56%	0.556	42%	0.423	S	S	*	.			trans	-62.9	100.8	-173.5	-170.5	-170.9	-73.6	0	0	110.7	C235	C235-Q237 PolarHBondContact O-N 3.38Å
238	M	76.3	Confident	73	Confident	40 Å²	40	77.8 Å²	77.8	20%	0.197	40%	0.401	C	S	.	.			trans	-50.9	144.6	177.2	-60.2	-170	90.7	0	0	111.9	Y215 Q219 E220 V236	Y215-M238 HydrophobicContact CD2-CE 4.02Å; Y215-M238 HydrophobicContact CE2-CE 3.63Å; Y215-M238 HydrophobicContact CE2-SD 4.33Å; Q219-M238 HydrophobicContact CB-CE 3.73Å; E220-M238 HydrophobicContact CG-CE 3.59Å; V236-M238 PolarHBondContact O-N 3.33Å
239	G	89.1	Confident	75.1	Confident	3 Å²	3	73.1 Å²	73.1	3%	0.031	38%	0.381	C	S	.	.			trans	-60.8	144	170	0	0	0	0	0	111.1	F213 Y215	F213-G239 CarbonylContact O-C 3.57Å; F213-G239 WeakPolarHBondContact O-CA 3.29Å; Y215-G239 WeakPolarHBondContact CB-O 3.46Å
240	K	95	Very high	77.3	Confident	70 Å²	70	68.5 Å²	68.5	30%	0.304	37%	0.367	S	S	.	.			trans	-100	-7.2	-172	-74.8	156.1	178.1	155.6	0	113.7	E168 L171 F213 D280 H281	E168-K240 HydrophobicContact CG-CD 3.86Å; E168-K240 IonicContact OE1-NZ 3.78Å; E168-K240 IonicContact OE2-NZ 2.69Å; E168-K240 PolarHBondContact OE2-NZ 3.13Å; L171-K240 HydrophobicContact CD2-CB 4.23Å; F213-K240 PolarHBondContact O-N 2.94Å; F213-K240 VanDerWaalsContact O-N 3.17Å; K240-D280 WeakPolarHBondContact O-CA 3.35Å; K240-H281 PolarHBondContact O-N 3.15Å
241	F	98	Very high	79.8	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	144.2	-169.7	-66.4	-89.6	0	0	0	111.6	A167 E168 L171 V177 I179 F213 L214 Y215 F278 A279 D280	A167-F241 HydrophobicContact CB-CE2 4.26Å; A167-F241 HydrophobicContact CB-CZ 3.78Å; E168-F241 HydrophobicContact CG-CE2 4.42Å; L171-F241 HydrophobicContact CD2-CZ 4.5Å; V177-F241 HydrophobicContact CB-CE1 3.88Å; V177-F241 HydrophobicContact CB-CZ 4.29Å; V177-F241 HydrophobicContact CG1-CE1 3.81Å; V177-F241 HydrophobicContact CG1-CZ 4.16Å; I179-F241 HydrophobicContact CD1-CE1 4.38Å; I179-F241 HydrophobicContact CG1-CE1 4.41Å; F213-F241 HydrophobicContact CD1-CB 4.39Å; F213-F241 HydrophobicContact CD2-CD2 4.23Å; F213-F241 HydrophobicContact CE1-CB 3.78Å; F213-F241 AromaticContact CE1-CD2 3.8Å; F213-F241 HydrophobicContact CE1-CD2 3.8Å; F213-F241 AromaticContact CE1-CG 3.8Å; F213-F241 HydrophobicContact CE1-CG 3.8Å; F213-F241 AromaticContact CE2-CD2 3.44Å; F213-F241 HydrophobicContact CE2-CD2 3.44Å; F213-F241 VanDerWaalsContact CE2-CD2 3.44Å; F213-F241 AromaticContact CE2-CE2 3.65Å; F213-F241 HydrophobicContact CE2-CE2 3.65Å; F213-F241 HydrophobicContact CE2-CG 4.27Å; F213-F241 HydrophobicContact CZ-CB 4.05Å; F213-F241 HydrophobicContact CZ-CD1 4.2Å; F213-F241 AromaticContact CZ-CD2 3.16Å; F213-F241 HydrophobicContact CZ-CD2 3.16Å; F213-F241 AromaticContact CZ-CE2 3.6Å; F213-F241 HydrophobicContact CZ-CE2 3.6Å; F213-F241 AromaticContact CZ-CG 3.53Å; F213-F241 HydrophobicContact CZ-CG 3.53Å; F213-F241 HydrophobicContact CZ-CZ 4.29Å; L214-F241 CarbonylContact C-O 3.51Å; L214-F241 WeakPolarHBondContact CA-O 3.32Å; L214-F241 HydrophobicContact CD2-CB 4.18Å; Y215-F241 PolarHBondContact N-O 3.33Å; F241-F278 HydrophobicContact CB-CB 4.39Å; F241-A279 CarbonylContact C-O 3.58Å; F241-A279 VanDerWaalsContact CA-O 3.28Å; F241-A279 WeakPolarHBondContact CA-O 3.43Å; F241-D280 HydrophobicContact CE1-CB 4.44Å
242	I	98	Very high	82	Confident	14 Å²	14	65.6 Å²	65.6	7%	0.072	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	135.1	176.9	-67.8	-179.3	0	0	0	109.5	Y215 I244 Y247 F278 A279 H281 A284	Y215-I242 HydrophobicContact CD1-CD1 4.22Å; Y215-I242 HydrophobicContact CD1-CG1 4.17Å; Y215-I242 HydrophobicContact CG-CG1 4.46Å; I242-I244 HydrophobicContact CB-CD1 4.37Å; I242-I244 HydrophobicContact CG2-CD1 4.19Å; I242-I244 PolarHBondContact O-N 2.9Å; I242-Y247 HydrophobicContact CG2-CD2 3.96Å; I242-Y247 HydrophobicContact CG2-CG 4.16Å; I242-F278 WeakPolarHBondContact O-CA 3.38Å; I242-A279 PolarHBondContact N-O 2.98Å; I242-A279 PolarHBondContact O-N 2.94Å; I242-H281 HydrophobicContact CD1-CB 4.48Å; I242-A284 HydrophobicContact CB-CB 3.98Å; I242-A284 HydrophobicContact CD1-CB 3.96Å; I242-A284 HydrophobicContact CG1-CB 4.38Å; I242-A284 HydrophobicContact CG2-CB 4.37Å
243	D	98.4	Very high	84.5	Confident	10 Å²	10	64.1 Å²	64.1	5%	0.053	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	102.3	165	-179.8	-16.1	0	0	0	109.6	L214 F245 R246 Y247 R273 F278	L214-D243 HydrophobicContact CD1-CB 4.32Å; D243-F245 PolarHBondContact O-N 3.06Å; D243-F245 PolarHBondContact OD1-N 2.81Å; D243-F245 VanDerWaalsContact OD1-N 3.07Å; D243-R246 HydrophobicContact CB-CB 4.18Å; D243-R246 CarbonylContact O-C 3.58Å; D243-R246 PolarHBondContact O-N 3.05Å; D243-R246 VanDerWaalsContact O-N 3.1Å; D243-R246 PolarHBondContact OD1-N 2.72Å; D243-Y247 PolarHBondContact O-N 3.2Å; D243-R273 VanDerWaalsContact CG-NH1 3.31Å; D243-R273 IonicContact OD1-NH1 2.75Å; D243-R273 PolarHBondContact OD1-NH1 3.38Å; D243-R273 IonicContact OD2-CZ 3.62Å; D243-R273 IonicContact OD2-NH1 3.9Å; D243-R273 PolarHBondContact OD2-NH1 2.75Å; D243-R273 IonicContact OD2-NH2 3.59Å; D243-R273 PolarHBondContact OD2-NH2 2.72Å; D243-F278 HydrophobicContact CB-CD1 4.22Å; D243-F278 HydrophobicContact CB-CE1 4.16Å
244	I	98.6	Very high	86.9	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-66.3	-28.6	-172.7	-55.2	-58.9	0	0	0	111.5	I242 F248 I277 A279 A284 F288 A291 A307	I242-I244 HydrophobicContact CB-CD1 4.37Å; I242-I244 HydrophobicContact CG2-CD1 4.19Å; I242-I244 PolarHBondContact O-N 2.9Å; I244-F248 HydrophobicContact CG2-CD2 3.99Å; I244-F248 HydrophobicContact CG2-CE2 3.82Å; I244-F248 VanDerWaalsContact O-CD2 3.3Å; I244-F248 WeakPolarHBondContact O-CD2 3.43Å; I244-F248 PolarHBondContact O-N 3.31Å; I244-I277 WeakPolarHBondContact CB-O 3.42Å; I244-I277 HydrophobicContact CG1-CG2 4.33Å; I244-I277 WeakPolarHBondContact CG1-O 3.2Å; I244-I277 PolarHBondContact N-O 2.89Å; I244-A279 HydrophobicContact CD1-CB 3.98Å; I244-A279 HydrophobicContact CG1-CB 4.2Å; I244-A284 HydrophobicContact CD1-CB 3.53Å; I244-F288 HydrophobicContact CB-CE1 4.43Å; I244-F288 HydrophobicContact CD1-CD1 4.48Å; I244-F288 HydrophobicContact CD1-CD2 4.27Å; I244-F288 HydrophobicContact CD1-CE1 4.44Å; I244-F288 HydrophobicContact CD1-CE2 4.23Å; I244-F288 HydrophobicContact CD1-CG 4.37Å; I244-F288 HydrophobicContact CD1-CZ 4.31Å; I244-F288 HydrophobicContact CG1-CD1 4.34Å; I244-F288 HydrophobicContact CG1-CE1 4Å; I244-F288 HydrophobicContact CG1-CE2 4.5Å; I244-F288 HydrophobicContact CG1-CZ 4.08Å; I244-F288 HydrophobicContact CG2-CD1 3.48Å; I244-F288 VanDerWaalsContact CG2-CD1 3.48Å; I244-F288 HydrophobicContact CG2-CE1 3.78Å; I244-F288 HydrophobicContact CG2-CG 4.12Å; I244-A291 HydrophobicContact CG2-CB 3.75Å; I244-A307 HydrophobicContact CG2-CB 4.43Å
245	F	98.7	Very high	89.7	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.018	29%	0.291	C	S	.	.	H	α-helix	trans	-67.3	-45.6	173.1	177.4	-94.9	0	0	0	110.7	D243 Y247 F248 H249 A255 I293	D243-F245 PolarHBondContact O-N 3.06Å; D243-F245 PolarHBondContact OD1-N 2.81Å; D243-F245 VanDerWaalsContact OD1-N 3.07Å; F245-Y247 VanDerWaalsContact C-N 3.34Å; F245-F248 PolarHBondContact O-N 3.02Å; F245-H249 AromaticContact CD2-CD2 3.86Å; F245-H249 HydrophobicContact CE1-CB 3.97Å; F245-H249 HydrophobicContact CE2-CB 4.07Å; F245-H249 AromaticContact CE2-CD2 3.6Å; F245-H249 AromaticContact CE2-CG 3.87Å; F245-H249 HydrophobicContact CZ-CB 3.69Å; F245-H249 AromaticContact CZ-CG 3.96Å; F245-H249 WeakPolarHBondContact O-CA 3.15Å; F245-H249 WeakPolarHBondContact O-CB 3.48Å; F245-H249 PolarHBondContact O-N 2.73Å; F245-A255 HydrophobicContact CE1-CB 3.67Å; F245-A255 HydrophobicContact CE2-CB 4.38Å; F245-A255 HydrophobicContact CZ-CB 3.36Å; F245-I293 HydrophobicContact CD2-CG2 4.38Å; F245-I293 HydrophobicContact CE2-CG2 4.32Å
246	R	98.2	Very high	92.3	Very high	29 Å²	29	50.1 Å²	50.1	11%	0.109	26%	0.256	C	S	.	.	H	α-helix	trans	-73.6	-23.2	178.5	-72	-71.8	169.1	-151.9	0.2	113.6	D191 D243 H249 P250 R252 R273	D191-R246 IonicContact OD1-CZ 2.72Å; D191-R246 IonicContact OD1-NE 2.86Å; D191-R246 PolarHBondContact OD1-NE 3.2Å; D191-R246 IonicContact OD1-NH2 3.22Å; D191-R246 PolarHBondContact OD1-NH2 3.1Å; D243-R246 HydrophobicContact CB-CB 4.18Å; D243-R246 CarbonylContact O-C 3.58Å; D243-R246 PolarHBondContact O-N 3.05Å; D243-R246 VanDerWaalsContact O-N 3.1Å; D243-R246 PolarHBondContact OD1-N 2.72Å; R246-H249 PolarHBondContact NH1-O 3.15Å; R246-P250 PolarHBondContact NH1-O 2.83Å; R246-P250 VanDerWaalsContact NH1-O 3.09Å; R246-P250 WeakPolarHBondContact O-CA 3.44Å; R246-P250 WeakPolarHBondContact O-CB 3.21Å; R246-P250 WeakPolarHBondContact O-CD 3.09Å; R246-P250 VanDerWaalsContact O-N 3.09Å; R246-R252 PolarHBondContact NH1-O 3Å; R246-R252 PolarHBondContact NH2-O 2.95Å; R246-R252 VanDerWaalsContact NH2-O 3.17Å; R246-R273 VanDerWaalsContact CG-NH2 3.34Å
247	Y	97.4	Very high	94.6	Very high	104 Å²	104	46.3 Å²	46.3	41%	0.408	23%	0.233	S	C	.	.	H	α-helix	trans	-62.1	-43.8	169.9	-175.5	-99.4	0	0	0	112.2	I242 D243 F245	I242-Y247 HydrophobicContact CG2-CD2 3.96Å; I242-Y247 HydrophobicContact CG2-CG 4.16Å; D243-Y247 PolarHBondContact O-N 3.2Å; F245-Y247 VanDerWaalsContact C-N 3.34Å
248	F	98.3	Very high	96.4	Very high	67 Å²	67	41.7 Å²	41.7	29%	0.294	21%	0.214	S	C	.	.	H	α-helix	trans	-87.6	-25.3	176.9	-69.1	-69.3	0	0	0	114.1	I244 F245 F288 G290 A291	I244-F248 HydrophobicContact CG2-CD2 3.99Å; I244-F248 HydrophobicContact CG2-CE2 3.82Å; I244-F248 VanDerWaalsContact O-CD2 3.3Å; I244-F248 WeakPolarHBondContact O-CD2 3.43Å; I244-F248 PolarHBondContact O-N 3.31Å; F245-F248 PolarHBondContact O-N 3.02Å; F248-F288 HydrophobicContact CE2-CB 3.96Å; F248-F288 HydrophobicContact CZ-CB 4.01Å; F248-G290 VanDerWaalsContact CZ-N 3.3Å; F248-A291 HydrophobicContact CD2-CB 4.05Å
249	H	98.2	Very high	97.5	Very high	44 Å²	44	40.2 Å²	40.2	20%	0.204	21%	0.206	C	C	.	.			trans	-132.5	57.2	-174.9	-55.9	-96.5	0	0	0	112.8	F245 R246 T251 R252 A291 D292	F245-H249 AromaticContact CD2-CD2 3.86Å; F245-H249 HydrophobicContact CE1-CB 3.97Å; F245-H249 HydrophobicContact CE2-CB 4.07Å; F245-H249 AromaticContact CE2-CD2 3.6Å; F245-H249 AromaticContact CE2-CG 3.87Å; F245-H249 HydrophobicContact CZ-CB 3.69Å; F245-H249 AromaticContact CZ-CG 3.96Å; F245-H249 WeakPolarHBondContact O-CA 3.15Å; F245-H249 WeakPolarHBondContact O-CB 3.48Å; F245-H249 PolarHBondContact O-N 2.73Å; R246-H249 PolarHBondContact NH1-O 3.15Å; H249-T251 PolarHBondContact O-N 3.01Å; H249-R252 HydrophobicContact CB-CB 3.85Å; H249-R252 PolarHBondContact CE1-NH1 2.88Å; H249-R252 PolarHBondContact ND1-NH1 3.44Å; H249-R252 PolarHBondContact O-N 3.13Å; H249-A291 PolarHBondContact CD2-O 3.48Å; H249-A291 PolarHBondContact NE2-O 3.38Å; H249-D292 IonicContact CE1-OD2 3.44Å; H249-D292 PolarHBondContact CE1-OD2 2.91Å; H249-D292 IonicContact NE2-OD2 3.61Å; H249-D292 PolarHBondContact NE2-OD2 3.15Å
250	P	97.1	Very high	97.7	Very high	81 Å²	81	42.6 Å²	42.6	53%	0.526	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-47.2	-170.1	20.9	-32.7	0	0	0	112.9	R246	R246-P250 PolarHBondContact NH1-O 2.83Å; R246-P250 VanDerWaalsContact NH1-O 3.09Å; R246-P250 WeakPolarHBondContact O-CA 3.44Å; R246-P250 WeakPolarHBondContact O-CB 3.21Å; R246-P250 WeakPolarHBondContact O-CD 3.09Å; R246-P250 VanDerWaalsContact O-N 3.09Å
251	T	97.6	Very high	97.5	Very high	124 Å²	124	43.7 Å²	43.7	76%	0.761	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	2.2	-173.7	53.7	0	0	0	0	114.8	I190 H249 T253	I190-T251 WeakPolarHBondContact CD1-O 3.38Å; H249-T251 PolarHBondContact O-N 3.01Å; T251-T253 PolarHBondContact O-N 2.84Å
252	R	98.3	Very high	97.1	Very high	78 Å²	78	50.1 Å²	50.1	29%	0.294	27%	0.269	S	S	.	.			trans	-71.8	114.4	-173.6	-179.2	171.5	154.1	-170.6	-6.7	112.1	R246 H249 A255 D292	R246-R252 PolarHBondContact NH1-O 3Å; R246-R252 PolarHBondContact NH2-O 2.95Å; R246-R252 VanDerWaalsContact NH2-O 3.17Å; H249-R252 HydrophobicContact CB-CB 3.85Å; H249-R252 PolarHBondContact CE1-NH1 2.88Å; H249-R252 PolarHBondContact ND1-NH1 3.44Å; H249-R252 PolarHBondContact O-N 3.13Å; R252-A255 HydrophobicContact CG-CB 4.19Å; R252-D292 IonicContact CZ-OD1 3.21Å; R252-D292 IonicContact CZ-OD2 2.75Å; R252-D292 IonicContact NH1-OD1 3.7Å; R252-D292 PolarHBondContact NH1-OD1 3.05Å; R252-D292 IonicContact NH1-OD2 3.91Å; R252-D292 PolarHBondContact NH1-OD2 2.76Å; R252-D292 IonicContact NH2-OD1 3.38Å; R252-D292 PolarHBondContact NH2-OD1 3.13Å; R252-D292 IonicContact NH2-OD2 3.33Å
253	T	97.3	Very high	96.7	Very high	87 Å²	87	50.9 Å²	50.9	53%	0.534	27%	0.274	S	S	.	.			trans	-76.7	165.1	173.7	57.9	0	0	0	0	111.5	I190 T251 A255	I190-T253 HydrophobicContact CD1-CG2 3.84Å; I190-T253 HydrophobicContact CG1-CG2 4.08Å; T251-T253 PolarHBondContact O-N 2.84Å; T253-A255 PolarHBondContact O-N 2.91Å
254	N	96.4	Very high	96.3	Very high	92 Å²	92	51.5 Å²	51.5	49%	0.492	28%	0.282	S	S	.	.	S	Bend	trans	59.7	15.7	170.8	-56.1	-60.7	0	0	0	116	F256 N269	N254-F256 HydrophobicContact CB-CE2 4.32Å; N254-F256 PolarHBondContact O-N 2.73Å; N254-N269 PolarHBondContact O-ND2 3.48Å
255	A	98.2	Very high	96.2	Very high	2 Å²	2	51.5 Å²	51.5	2%	0.017	28%	0.283	C	S	.	.			trans	-85.1	59.1	179.6	0	0	0	0	0	112.1	F245 R252 T253 R273 I293	F245-A255 HydrophobicContact CE1-CB 3.67Å; F245-A255 HydrophobicContact CE2-CB 4.38Å; F245-A255 HydrophobicContact CZ-CB 3.36Å; R252-A255 HydrophobicContact CG-CB 4.19Å; T253-A255 PolarHBondContact O-N 2.91Å; A255-R273 WeakPolarHBondContact O-CB 3.29Å; A255-R273 WeakPolarHBondContact O-CD 3.36Å; A255-I293 HydrophobicContact CB-CD1 4.17Å
256	F	98.6	Very high	96.1	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.018	29%	0.293	C	S	.	.			trans	-82	155.9	-178.6	-51.7	-44.7	0	0	0	111.8	C193 N254 W259 N269 G271 I293	C193-F256 VanDerWaalsContact CA-CZ 3.49Å; C193-F256 HydrophobicContact CB-CD2 4.35Å; C193-F256 HydrophobicContact CB-CE2 3.63Å; C193-F256 HydrophobicContact CB-CZ 3.79Å; N254-F256 HydrophobicContact CB-CE2 4.32Å; N254-F256 PolarHBondContact O-N 2.73Å; F256-W259 HydrophobicContact CB-CZ2 4.03Å; F256-W259 WeakPolarHBondContact O-CH2 3.24Å; F256-W259 WeakPolarHBondContact O-CZ2 3.42Å; F256-N269 WeakPolarHBondContact CD2-O 3.32Å; F256-N269 WeakPolarHBondContact CD2-OD1 3.41Å; F256-N269 VanDerWaalsContact CE2-O 3.22Å; F256-N269 WeakPolarHBondContact CE2-O 3.49Å; F256-G271 VanDerWaalsContact CG-C 3.49Å; F256-I293 WeakPolarHBondContact O-CD1 3.22Å
257	T	98.7	Very high	95.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.322	C	S	.	.			trans	-118.4	-20.4	179.3	59.6	0	0	0	0	113.3	W259 T272 R273 I274 D275 I293 H302 C303 V305	T257-W259 VanDerWaalsContact O-CZ3 3.24Å; T257-W259 WeakPolarHBondContact O-CZ3 3.33Å; T257-T272 PolarHBondContact N-O 3.23Å; T257-R273 HydrophobicContact CG2-CG 3.96Å; T257-I274 PolarHBondContact OG1-N 2.83Å; T257-D275 WeakPolarHBondContact CB-OD2 3.31Å; T257-D275 HydrophobicContact CG2-CB 4.15Å; T257-D275 PolarHBondContact OG1-N 2.71Å; T257-D275 VanDerWaalsContact OG1-N 3.17Å; T257-D275 PolarHBondContact OG1-OD2 2.74Å; T257-I293 HydrophobicContact CG2-CB 4.47Å; T257-I293 HydrophobicContact CG2-CG2 3.55Å; T257-H302 CarbonylContact O-C 3.54Å; T257-H302 WeakPolarHBondContact O-CA 3.28Å; T257-C303 PolarHBondContact O-N 3.08Å; T257-V305 HydrophobicContact CG2-CG2 3.73Å
258	C	98.5	Very high	95.8	Very high	23 Å²	23	56.5 Å²	56.5	16%	0.155	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.4	-178.1	-177.3	0	0	0	0	111.8	G271 T272 I274 H302	C258-G271 CarbonylContact O-C 3.48Å; C258-G271 WeakPolarHBondContact O-CA 3.16Å; C258-T272 PolarHBondContact N-O 3.07Å; C258-T272 PolarHBondContact O-N 2.96Å; C258-I274 HydrophobicContact CB-CD1 3.69Å; C258-I274 HydrophobicContact CB-CG1 3.77Å; C258-H302 PolarHBondContact SG-NE2 3.5Å; C258-H302 VanDerWaalsContact SG-NE2 3.35Å
259	W	98	Very high	95.7	Very high	8 Å²	8	55.9 Å²	55.9	3%	0.03	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	139.6	179.2	-55	-95.6	0	0	0	112.6	F256 T257 T261 A265 R266 N269 G271 P295 D301 C303	F256-W259 HydrophobicContact CB-CZ2 4.03Å; F256-W259 WeakPolarHBondContact O-CH2 3.24Å; F256-W259 WeakPolarHBondContact O-CZ2 3.42Å; T257-W259 VanDerWaalsContact O-CZ3 3.24Å; T257-W259 WeakPolarHBondContact O-CZ3 3.33Å; W259-T261 PolarHBondContact O-N 2.82Å; W259-T261 VanDerWaalsContact O-N 3.08Å; W259-A265 HydrophobicContact CB-CB 4.43Å; W259-R266 HydrophobicContact CB-CB 3.74Å; W259-R266 HydrophobicContact CB-CG 4.34Å; W259-R266 HydrophobicContact CD2-CB 4.14Å; W259-R266 HydrophobicContact CD2-CG 3.76Å; W259-R266 HydrophobicContact CE3-CG 3.85Å; W259-R266 HydrophobicContact CG-CB 3.81Å; W259-R266 HydrophobicContact CG-CG 4Å; W259-R266 HydrophobicContact CZ3-CG 4.44Å; W259-N269 PolarHBondContact NE1-OD1 3.28Å; W259-G271 VanDerWaalsContact CD1-CA 3.49Å; W259-P295 HydrophobicContact CH2-CB 4.23Å; W259-D301 PolarHBondContact N-O 3.15Å; W259-D301 WeakPolarHBondContact O-CB 3.49Å; W259-C303 HydrophobicContact CH2-CB 4.13Å; W259-C303 HydrophobicContact CZ3-CB 3.86Å
260	S	94.4	Very high	95.7	Very high	54 Å²	54	55.8 Å²	55.8	38%	0.378	31%	0.308	S	S	.	.			trans	-67.6	109.6	-179.2	-176.9	0	0	0	0	113.4	L262 T263 G264 A265	S260-L262 VanDerWaalsContact C-N 3.28Å; S260-L262 PolarHBondContact O-N 3.2Å; S260-T263 WeakPolarHBondContact CB-OG1 3.42Å; S260-T263 PolarHBondContact O-N 3.14Å; S260-T263 PolarHBondContact O-OG1 3.29Å; S260-T263 PolarHBondContact OG-OG1 3.38Å; S260-G264 PolarHBondContact O-N 3.08Å; S260-G264 VanDerWaalsContact O-N 3.13Å; S260-A265 PolarHBondContact O-N 3.17Å; S260-A265 VanDerWaalsContact O-N 3.15Å
261	T	91.3	Very high	95.7	Very high	93 Å²	93	52.1 Å²	52.1	57%	0.571	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-34	172.7	42.7	0	0	0	0	113	W259 T263 D301	W259-T261 PolarHBondContact O-N 2.82Å; W259-T261 VanDerWaalsContact O-N 3.08Å; T261-T263 VanDerWaalsContact C-N 3.25Å; T261-T263 PolarHBondContact O-N 3.31Å; T261-D301 HydrophobicContact CG2-CB 3.77Å; T261-D301 PolarHBondContact OG1-OD2 3.47Å
262	L	88.3	Confident	95.7	Very high	135 Å²	135	47.6 Å²	47.6	71%	0.707	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-26.8	179.9	-66.6	178.5	0	0	0	113.6	S260	S260-L262 VanDerWaalsContact C-N 3.28Å; S260-L262 PolarHBondContact O-N 3.2Å
263	T	89.5	Confident	95.7	Very high	29 Å²	29	44 Å²	44	18%	0.178	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	-2.4	-175.6	64.3	0	0	0	0	114	S260 T261 P541 Q542 R551	S260-T263 WeakPolarHBondContact CB-OG1 3.42Å; S260-T263 PolarHBondContact O-N 3.14Å; S260-T263 PolarHBondContact O-OG1 3.29Å; S260-T263 PolarHBondContact OG-OG1 3.38Å; T261-T263 VanDerWaalsContact C-N 3.25Å; T261-T263 PolarHBondContact O-N 3.31Å; T263-P541 CarbonylContact O-C 3.58Å; T263-P541 WeakPolarHBondContact O-CA 3.49Å; T263-Q542 VanDerWaalsContact CB-OE1 3.25Å; T263-Q542 PolarHBondContact O-N 2.93Å; T263-Q542 PolarHBondContact OG1-OE1 3.44Å; T263-R551 PolarHBondContact O-NH2 2.69Å
264	G	91.6	Very high	95.8	Very high	23 Å²	23	40.6 Å²	40.6	24%	0.237	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	80	13.4	178.5	0	0	0	0	0	114.4	S260 R266 Q267 P541	S260-G264 PolarHBondContact O-N 3.08Å; S260-G264 VanDerWaalsContact O-N 3.13Å; G264-R266 PolarHBondContact O-N 2.85Å; G264-Q267 WeakPolarHBondContact O-CB 3.37Å; G264-Q267 PolarHBondContact O-N 2.8Å; G264-P541 WeakPolarHBondContact O-CB 3.37Å
265	A	95.1	Very high	95.9	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.008	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-65.3	-15.4	-160	0	0	0	0	0	115.6	W259 S260 Q267 T268 N269 Y270 Q542	W259-A265 HydrophobicContact CB-CB 4.43Å; S260-A265 PolarHBondContact O-N 3.17Å; S260-A265 VanDerWaalsContact O-N 3.15Å; A265-Q267 PolarHBondContact O-N 3.39Å; A265-T268 PolarHBondContact O-N 3.32Å; A265-T268 PolarHBondContact O-OG1 2.97Å; A265-T268 VanDerWaalsContact O-OG1 3.06Å; A265-N269 PolarHBondContact O-N 3.44Å; A265-Y270 HydrophobicContact CB-CD1 4.35Å; A265-Y270 WeakPolarHBondContact CB-O 3.38Å; A265-Y270 PolarHBondContact O-N 3.28Å; A265-Q542 HydrophobicContact CB-CB 4.47Å
266	R	96.4	Very high	96	Very high	62 Å²	62	36.2 Å²	36.2	23%	0.234	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-64.2	-29.3	173.3	-163.3	165	177.6	159.4	-2.2	112.4	W259 G264 T268 N269 P295 V297 S300 H302	W259-R266 HydrophobicContact CB-CB 3.74Å; W259-R266 HydrophobicContact CB-CG 4.34Å; W259-R266 HydrophobicContact CD2-CB 4.14Å; W259-R266 HydrophobicContact CD2-CG 3.76Å; W259-R266 HydrophobicContact CE3-CG 3.85Å; W259-R266 HydrophobicContact CG-CB 3.81Å; W259-R266 HydrophobicContact CG-CG 4Å; W259-R266 HydrophobicContact CZ3-CG 4.44Å; G264-R266 PolarHBondContact O-N 2.85Å; R266-T268 VanDerWaalsContact C-N 3.32Å; R266-T268 PolarHBondContact O-N 3.03Å; R266-N269 PolarHBondContact O-N 3.37Å; R266-P295 PolarHBondContact NH2-O 3.02Å; R266-V297 PolarHBondContact NH2-O 2.63Å; R266-S300 PolarHBondContact NH1-O 2.85Å; R266-H302 PolarHBondContact NH1-O 2.6Å
267	Q	95	Very high	96	Very high	154 Å²	154	36.1 Å²	36.1	72%	0.72	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-69.3	-27.1	-177.8	-64.6	173.9	-14	0	0	113.5	G264 A265 P541	G264-Q267 WeakPolarHBondContact O-CB 3.37Å; G264-Q267 PolarHBondContact O-N 2.8Å; A265-Q267 PolarHBondContact O-N 3.39Å; Q267-P541 HydrophobicContact CB-CB 4.06Å; Q267-P541 HydrophobicContact CB-CG 4.01Å
268	T	95.6	Very high	96	Very high	25 Å²	25	36.2 Å²	36.2	15%	0.153	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-106.3	2.9	179.6	53.9	0	0	0	0	112.3	A265 R266 Y270 P541 Q542	A265-T268 PolarHBondContact O-N 3.32Å; A265-T268 PolarHBondContact O-OG1 2.97Å; A265-T268 VanDerWaalsContact O-OG1 3.06Å; R266-T268 VanDerWaalsContact C-N 3.32Å; R266-T268 PolarHBondContact O-N 3.03Å; T268-Y270 VanDerWaalsContact C-N 3.26Å; T268-Y270 PolarHBondContact O-N 2.96Å; T268-Y270 WeakPolarHBondContact OG1-CB 3.2Å; T268-Y270 PolarHBondContact OG1-N 2.89Å; T268-P541 HydrophobicContact CG2-CB 3.91Å; T268-P541 HydrophobicContact CG2-CG 3.6Å; T268-Q542 WeakPolarHBondContact CB-O 3.36Å; T268-Q542 WeakPolarHBondContact CG2-O 3.43Å; T268-Q542 PolarHBondContact OG1-O 3.45Å
269	N	96.7	Very high	96	Very high	54 Å²	54	35.1 Å²	35.1	29%	0.289	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	38.3	-166.7	-160.2	16	0	0	0	114.4	N254 F256 W259 A265 R266 G271	N254-N269 PolarHBondContact O-ND2 3.48Å; F256-N269 WeakPolarHBondContact CD2-O 3.32Å; F256-N269 WeakPolarHBondContact CD2-OD1 3.41Å; F256-N269 VanDerWaalsContact CE2-O 3.22Å; F256-N269 WeakPolarHBondContact CE2-O 3.49Å; W259-N269 PolarHBondContact NE1-OD1 3.28Å; A265-N269 PolarHBondContact O-N 3.44Å; R266-N269 PolarHBondContact O-N 3.37Å; N269-G271 PolarHBondContact O-N 2.9Å
270	Y	96.9	Very high	96	Very high	42 Å²	42	34.9 Å²	34.9	17%	0.165	19%	0.19	C	C	.	.			trans	-89.7	85.7	175.1	-172.7	-86.6	0	0	0	109.9	C193 D194 A265 T268 Q542 G543 H544	C193-Y270 HydrophobicContact CB-CD2 3.95Å; C193-Y270 HydrophobicContact CB-CE2 4.42Å; C193-Y270 HydrophobicContact CB-CG 4.18Å; C193-Y270 VanDerWaalsContact SG-CD1 3.57Å; C193-Y270 VanDerWaalsContact SG-CD2 3.54Å; C193-Y270 VanDerWaalsContact SG-CG 3.51Å; D194-Y270 HydrophobicContact CB-CE2 3.68Å; D194-Y270 WeakPolarHBondContact CB-OH 3.1Å; D194-Y270 WeakPolarHBondContact OD2-CE2 3.41Å; D194-Y270 PolarHBondContact OD2-OH 3.49Å; A265-Y270 HydrophobicContact CB-CD1 4.35Å; A265-Y270 WeakPolarHBondContact CB-O 3.38Å; A265-Y270 PolarHBondContact O-N 3.28Å; T268-Y270 VanDerWaalsContact C-N 3.26Å; T268-Y270 PolarHBondContact O-N 2.96Å; T268-Y270 WeakPolarHBondContact OG1-CB 3.2Å; T268-Y270 PolarHBondContact OG1-N 2.89Å; Y270-Q542 HydrophobicContact CD1-CG 3.78Å; Y270-Q542 HydrophobicContact CE1-CG 3.8Å; Y270-Q542 HydrophobicContact CG-CG 4.35Å; Y270-G543 VanDerWaalsContact CD2-C 3.42Å; Y270-H544 HydrophobicContact CD2-CB 4.35Å; Y270-H544 VanDerWaalsContact CD2-N 3.31Å
271	G	97.3	Very high	96	Very high	5 Å²	5	34.9 Å²	34.9	5%	0.052	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	-167.3	-172.9	0	0	0	0	0	114.1	C193 F256 C258 W259 N269	C193-G271 VanDerWaalsContact CB-O 3.25Å; C193-G271 WeakPolarHBondContact CB-O 3.48Å; C193-G271 PolarHBondContact N-O 2.81Å; C193-G271 PolarHBondContact SG-N 3.35Å; C193-G271 VanDerWaalsContact SG-N 3.42Å; C193-G271 PolarHBondContact SG-O 3.5Å; F256-G271 VanDerWaalsContact CG-C 3.49Å; C258-G271 CarbonylContact O-C 3.48Å; C258-G271 WeakPolarHBondContact O-CA 3.16Å; W259-G271 VanDerWaalsContact CD1-CA 3.49Å; N269-G271 PolarHBondContact O-N 2.9Å
272	T	98.1	Very high	96.1	Very high	29 Å²	29	36.4 Å²	36.4	18%	0.178	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.6	173.2	60.1	0	0	0	0	110	D191 H192 T257 C258	D191-T272 CarbonylContact O-C 3.53Å; D191-T272 WeakPolarHBondContact O-CA 3.27Å; H192-T272 WeakPolarHBondContact CD2-CG2 3.37Å; T257-T272 PolarHBondContact N-O 3.23Å; C258-T272 PolarHBondContact N-O 3.07Å; C258-T272 PolarHBondContact O-N 2.96Å
273	R	98.8	Very high	96.5	Very high	1 Å²	1	30 Å²	30	0%	0.004	15%	0.146	C	C	.	.			trans	-91.8	111.5	166.6	-168.9	176.4	67.2	101.8	4.2	108	S186 D191 D243 R246 A255 T257 Y276	S186-R273 VanDerWaalsContact CA-O 3.29Å; S186-R273 WeakPolarHBondContact CA-O 3.37Å; S186-R273 WeakPolarHBondContact CB-O 3.4Å; D191-R273 HydrophobicContact CB-CB 3.98Å; D191-R273 VanDerWaalsContact CG-NE 3.35Å; D191-R273 VanDerWaalsContact CG-NH2 3.27Å; D191-R273 PolarHBondContact O-N 3.47Å; D191-R273 IonicContact OD1-CZ 2.65Å; D191-R273 IonicContact OD1-NE 3.96Å; D191-R273 PolarHBondContact OD1-NE 3.17Å; D191-R273 IonicContact OD1-NH2 3.27Å; D191-R273 PolarHBondContact OD1-NH2 3.07Å; D191-R273 VanDerWaalsContact OD1-NH2 3.15Å; D191-R273 IonicContact OD2-CZ 2.67Å; D191-R273 IonicContact OD2-NE 3.95Å; D191-R273 IonicContact OD2-NH2 2.73Å; D191-R273 PolarHBondContact OD2-NH2 3.33Å; D243-R273 VanDerWaalsContact CG-NH1 3.31Å; D243-R273 IonicContact OD1-NH1 2.75Å; D243-R273 PolarHBondContact OD1-NH1 3.38Å; D243-R273 IonicContact OD2-CZ 3.62Å; D243-R273 IonicContact OD2-NH1 3.9Å; D243-R273 PolarHBondContact OD2-NH1 2.75Å; D243-R273 IonicContact OD2-NH2 3.59Å; D243-R273 PolarHBondContact OD2-NH2 2.72Å; R246-R273 VanDerWaalsContact CG-NH2 3.34Å; A255-R273 WeakPolarHBondContact O-CB 3.29Å; A255-R273 WeakPolarHBondContact O-CD 3.36Å; T257-R273 HydrophobicContact CG2-CG 3.96Å; R273-Y276 PolarHBondContact O-OH 3.05Å
274	I	98.7	Very high	96.9	Very high	16 Å²	16	28.6 Å²	28.6	8%	0.082	14%	0.138	C	C	.	.			trans	-132.6	-6.4	179.6	61.2	177.4	0	0	0	113.4	V183 T257 C258 Y276	V183-I274 PolarHBondContact N-O 2.8Å; T257-I274 PolarHBondContact OG1-N 2.83Å; C258-I274 HydrophobicContact CB-CD1 3.69Å; C258-I274 HydrophobicContact CB-CG1 3.77Å; I274-Y276 VanDerWaalsContact C-CE2 3.46Å; I274-Y276 VanDerWaalsContact O-CD2 3.24Å; I274-Y276 WeakPolarHBondContact O-CD2 3.49Å; I274-Y276 VanDerWaalsContact O-CE2 3.31Å; I274-Y276 WeakPolarHBondContact O-CE2 3.38Å
275	D	98.9	Very high	97	Very high	1 Å²	1	32 Å²	32	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	129.3	173.5	-51.8	-104.9	0	0	0	108.5	G181 T257 H302 V305	G181-D275 WeakPolarHBondContact O-CA 3.25Å; T257-D275 WeakPolarHBondContact CB-OD2 3.31Å; T257-D275 HydrophobicContact CG2-CB 4.15Å; T257-D275 PolarHBondContact OG1-N 2.71Å; T257-D275 VanDerWaalsContact OG1-N 3.17Å; T257-D275 PolarHBondContact OG1-OD2 2.74Å; D275-H302 VanDerWaalsContact CG-ND1 3.3Å; D275-H302 IonicContact OD1-CE1 3.23Å; D275-H302 IonicContact OD1-CG 2.66Å; D275-H302 IonicContact OD1-ND1 2.81Å; D275-H302 PolarHBondContact OD1-ND1 2.77Å; D275-H302 IonicContact OD2-CE1 3.93Å; D275-H302 IonicContact OD2-CG 2.69Å; D275-H302 IonicContact OD2-ND1 2.71Å; D275-H302 PolarHBondContact OD2-ND1 2.92Å; D275-V305 HydrophobicContact CB-CG2 3.74Å
276	Y	98.9	Very high	97	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	160.4	-171.6	-62.9	-98.5	0	0	0	112.8	L180 G181 V183 T185 S186 H187 R273 I274 F278	L180-Y276 VanDerWaalsContact CA-O 3.23Å; L180-Y276 WeakPolarHBondContact CA-O 3.2Å; L180-Y276 WeakPolarHBondContact CB-O 3.39Å; G181-Y276 PolarHBondContact N-O 3.02Å; G181-Y276 VanDerWaalsContact N-O 3.08Å; G181-Y276 PolarHBondContact O-N 2.86Å; V183-Y276 HydrophobicContact CB-CD2 3.66Å; V183-Y276 HydrophobicContact CB-CE2 3.81Å; V183-Y276 HydrophobicContact CG1-CE2 4.38Å; V183-Y276 HydrophobicContact CG2-CD2 3.49Å; V183-Y276 VanDerWaalsContact CG2-CD2 3.49Å; V183-Y276 HydrophobicContact CG2-CE2 4.15Å; V183-Y276 HydrophobicContact CG2-CG 4.24Å; T185-Y276 VanDerWaalsContact O-CE2 3.28Å; T185-Y276 WeakPolarHBondContact O-CE2 3.37Å; T185-Y276 PolarHBondContact O-OH 2.69Å; S186-Y276 WeakPolarHBondContact CA-OH 3.42Å; H187-Y276 HydrophobicContact CB-CE1 4.43Å; H187-Y276 PolarHBondContact N-OH 2.84Å; R273-Y276 PolarHBondContact O-OH 3.05Å; I274-Y276 VanDerWaalsContact C-CE2 3.46Å; I274-Y276 VanDerWaalsContact O-CD2 3.24Å; I274-Y276 WeakPolarHBondContact O-CD2 3.49Å; I274-Y276 VanDerWaalsContact O-CE2 3.31Å; I274-Y276 WeakPolarHBondContact O-CE2 3.38Å; Y276-F278 HydrophobicContact CD1-CD1 4.37Å; Y276-F278 AromaticContact CD1-CE1 3.35Å; Y276-F278 HydrophobicContact CD1-CE1 3.35Å; Y276-F278 AromaticContact CD1-CZ 3.56Å; Y276-F278 HydrophobicContact CD1-CZ 3.56Å; Y276-F278 AromaticContact CD2-CZ 3.99Å; Y276-F278 HydrophobicContact CD2-CZ 3.99Å; Y276-F278 HydrophobicContact CE1-CE1 4.07Å; Y276-F278 HydrophobicContact CE1-CZ 4.13Å; Y276-F278 AromaticContact CG-CE1 3.64Å; Y276-F278 HydrophobicContact CG-CE1 3.64Å; Y276-F278 HydrophobicContact CG-CE2 4.27Å; Y276-F278 AromaticContact CG-CZ 3.47Å; Y276-F278 HydrophobicContact CG-CZ 3.47Å; Y276-F278 VanDerWaalsContact CG-CZ 3.47Å
277	I	98.9	Very high	97	Very high	2 Å²	2	32 Å²	32	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	111	156.5	-59.8	174	0	0	0	106	T5 I178 L180 I244 F288 V305 A307	T5-I277 HydrophobicContact CG2-CG1 4.05Å; I178-I277 HydrophobicContact CG2-CG2 3.93Å; L180-I277 HydrophobicContact CB-CB 4.43Å; L180-I277 HydrophobicContact CB-CG1 3.98Å; I244-I277 WeakPolarHBondContact CB-O 3.42Å; I244-I277 HydrophobicContact CG1-CG2 4.33Å; I244-I277 WeakPolarHBondContact CG1-O 3.2Å; I244-I277 PolarHBondContact N-O 2.89Å; I277-F288 HydrophobicContact CG2-CE1 4.36Å; I277-V305 HydrophobicContact CD1-CG1 4.34Å; I277-V305 HydrophobicContact CG1-CG1 4.46Å; I277-A307 HydrophobicContact CD1-CB 3.67Å; I277-A307 HydrophobicContact CG2-CB 4.31Å
278	F	98.8	Very high	97.1	Very high	2 Å²	2	25 Å²	25	1%	0.009	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	143.1	169.9	-54.3	-47.1	0	0	0	109.1	I178 I179 V183 L210 F213 L214 F241 I242 D243 Y276	I178-F278 CarbonylContact C-O 3.58Å; I178-F278 VanDerWaalsContact CA-O 3.28Å; I178-F278 WeakPolarHBondContact CA-O 3.13Å; I178-F278 WeakPolarHBondContact CG2-O 3.3Å; I179-F278 HydrophobicContact CB-CB 4.36Å; I179-F278 HydrophobicContact CB-CD2 4.32Å; I179-F278 PolarHBondContact N-O 2.58Å; I179-F278 PolarHBondContact O-N 3.02Å; V183-F278 HydrophobicContact CG2-CE2 3.81Å; V183-F278 HydrophobicContact CG2-CZ 4.24Å; L210-F278 HydrophobicContact CD2-CE2 4.27Å; L210-F278 HydrophobicContact CD2-CZ 3.81Å; F213-F278 HydrophobicContact CE1-CD2 4.01Å; F213-F278 HydrophobicContact CE1-CE2 4.45Å; F213-F278 HydrophobicContact CE1-CG 4.46Å; L214-F278 HydrophobicContact CD1-CE1 3.94Å; L214-F278 HydrophobicContact CD1-CZ 4.41Å; L214-F278 HydrophobicContact CD2-CD1 3.56Å; L214-F278 HydrophobicContact CD2-CE1 3.66Å; L214-F278 HydrophobicContact CD2-CG 4.09Å; L214-F278 HydrophobicContact CD2-CZ 4.24Å; L214-F278 HydrophobicContact CG-CE1 4.4Å; F241-F278 HydrophobicContact CB-CB 4.39Å; I242-F278 WeakPolarHBondContact O-CA 3.38Å; D243-F278 HydrophobicContact CB-CD1 4.22Å; D243-F278 HydrophobicContact CB-CE1 4.16Å; Y276-F278 HydrophobicContact CD1-CD1 4.37Å; Y276-F278 AromaticContact CD1-CE1 3.35Å; Y276-F278 HydrophobicContact CD1-CE1 3.35Å; Y276-F278 AromaticContact CD1-CZ 3.56Å; Y276-F278 HydrophobicContact CD1-CZ 3.56Å; Y276-F278 AromaticContact CD2-CZ 3.99Å; Y276-F278 HydrophobicContact CD2-CZ 3.99Å; Y276-F278 HydrophobicContact CE1-CE1 4.07Å; Y276-F278 HydrophobicContact CE1-CZ 4.13Å; Y276-F278 AromaticContact CG-CE1 3.64Å; Y276-F278 HydrophobicContact CG-CE1 3.64Å; Y276-F278 HydrophobicContact CG-CE2 4.27Å; Y276-F278 AromaticContact CG-CZ 3.47Å; Y276-F278 HydrophobicContact CG-CZ 3.47Å; Y276-F278 VanDerWaalsContact CG-CZ 3.47Å
279	A	98.6	Very high	97.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	158.7	166.8	0	0	0	0	0	111.2	V177 I178 F241 I242 I244 L283 F288	V177-A279 CarbonylContact O-C 3.58Å; V177-A279 VanDerWaalsContact O-CA 3.32Å; V177-A279 WeakPolarHBondContact O-CA 3.21Å; I178-A279 HydrophobicContact CG1-CB 4.15Å; F241-A279 CarbonylContact C-O 3.58Å; F241-A279 VanDerWaalsContact CA-O 3.28Å; F241-A279 WeakPolarHBondContact CA-O 3.43Å; I242-A279 PolarHBondContact N-O 2.98Å; I242-A279 PolarHBondContact O-N 2.94Å; I244-A279 HydrophobicContact CD1-CB 3.98Å; I244-A279 HydrophobicContact CG1-CB 4.2Å; A279-L283 HydrophobicContact CB-CD2 4.26Å; A279-F288 HydrophobicContact CB-CE2 3.47Å; A279-F288 VanDerWaalsContact CB-CE2 3.47Å; A279-F288 HydrophobicContact CB-CZ 3.69Å
280	D	97.8	Very high	97.3	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.016	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	147.5	173.2	68.6	85.7	0	0	0	111.6	L171 H176 V177 K240 F241 R282 L283 A284	L171-D280 HydrophobicContact CD1-CB 3.71Å; L171-D280 HydrophobicContact CD2-CB 4.06Å; H176-D280 WeakPolarHBondContact CA-OD2 3.43Å; H176-D280 VanDerWaalsContact CB-OD2 3.3Å; H176-D280 WeakPolarHBondContact CB-OD2 3.41Å; H176-D280 IonicContact CE1-OD1 2.69Å; H176-D280 IonicContact CG-OD2 2.84Å; H176-D280 VanDerWaalsContact ND1-CG 3.31Å; H176-D280 IonicContact ND1-OD1 3.18Å; H176-D280 PolarHBondContact ND1-OD1 2.97Å; H176-D280 IonicContact ND1-OD2 3.79Å; H176-D280 PolarHBondContact ND1-OD2 3.27Å; H176-D280 VanDerWaalsContact ND1-OD2 3.07Å; V177-D280 PolarHBondContact N-OD2 3.19Å; V177-D280 PolarHBondContact O-N 3.07Å; K240-D280 WeakPolarHBondContact O-CA 3.35Å; F241-D280 HydrophobicContact CE1-CB 4.44Å; D280-R282 PolarHBondContact O-N 3.23Å; D280-R282 VanDerWaalsContact O-N 3.11Å; D280-R282 PolarHBondContact OD1-N 3.21Å; D280-L283 PolarHBondContact O-N 3.45Å; D280-L283 VanDerWaalsContact O-N 3.16Å; D280-L283 PolarHBondContact OD1-N 2.78Å; D280-L283 WeakPolarHBondContact OD2-CB 3.24Å; D280-A284 WeakPolarHBondContact O-CB 3.28Å; D280-A284 PolarHBondContact O-N 3.22Å
281	H	94.7	Very high	97.4	Very high	54 Å²	54	22.7 Å²	22.7	25%	0.25	12%	0.115	C	C	.	.	H	α-helix	trans	-46.9	-43.6	-175	176.4	-85.1	0	0	0	113.5	Y215 K240 I242 Q285	Y215-H281 AromaticContact CD1-CD2 3.87Å; Y215-H281 AromaticContact CD2-CD2 3.8Å; Y215-H281 AromaticContact CE1-CD2 3.66Å; Y215-H281 AromaticContact CE1-NE2 3.77Å; Y215-H281 AromaticContact CE2-CD2 3.6Å; Y215-H281 AromaticContact CE2-NE2 3.83Å; Y215-H281 AromaticContact CG-CD2 3.91Å; Y215-H281 AromaticContact CZ-CD2 3.49Å; Y215-H281 VanDerWaalsContact CZ-CD2 3.49Å; Y215-H281 AromaticContact CZ-NE2 3.39Å; Y215-H281 PolarHBondContact OH-NE2 3.27Å; K240-H281 PolarHBondContact O-N 3.15Å; I242-H281 HydrophobicContact CD1-CB 4.48Å; H281-Q285 PolarHBondContact CE1-NE2 3.15Å; H281-Q285 PolarHBondContact CE1-OE1 3.39Å; H281-Q285 PolarHBondContact NE2-NE2 2.85Å; H281-Q285 WeakPolarHBondContact O-CG 3.34Å; H281-Q285 PolarHBondContact O-N 2.84Å
282	R	94.3	Very high	97.5	Very high	126 Å²	126	24 Å²	24	48%	0.475	12%	0.121	S	C	.	.	H	α-helix	trans	-72	-46.3	-177	-176.3	175.5	-179.4	-141.6	-14.4	112.1	D280 A284 Q285 E286	D280-R282 PolarHBondContact O-N 3.23Å; D280-R282 VanDerWaalsContact O-N 3.11Å; D280-R282 PolarHBondContact OD1-N 3.21Å; R282-A284 VanDerWaalsContact C-N 3.29Å; R282-A284 PolarHBondContact O-N 2.69Å; R282-Q285 PolarHBondContact O-N 3.24Å; R282-E286 HydrophobicContact CG-CG 4.35Å; R282-E286 IonicContact CZ-OE1 3.91Å; R282-E286 VanDerWaalsContact CZ-OE1 3.23Å; R282-E286 IonicContact NE-OE1 2.8Å; R282-E286 PolarHBondContact NE-OE1 3.07Å; R282-E286 IonicContact NE-OE2 3.55Å; R282-E286 IonicContact NH2-OE1 2.86Å; R282-E286 PolarHBondContact NH2-OE1 3.22Å; R282-E286 IonicContact NH2-OE2 2.72Å; R282-E286 PolarHBondContact NH2-OE2 2.9Å; R282-E286 WeakPolarHBondContact O-CB 3.47Å; R282-E286 PolarHBondContact O-N 3.16Å
283	L	96.4	Very high	97.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.5	-41.9	176.4	-167.8	73.3	0	0	0	111.1	I126 V135 H176 I178 A279 D280 Q287 F288 L309	I126-L283 HydrophobicContact CD1-CD1 4.21Å; V135-L283 HydrophobicContact CG2-CD2 3.9Å; H176-L283 HydrophobicContact CB-CB 4.3Å; H176-L283 HydrophobicContact CB-CD1 4.09Å; H176-L283 HydrophobicContact CB-CD2 4.16Å; H176-L283 HydrophobicContact CB-CG 4.42Å; I178-L283 HydrophobicContact CD1-CD2 3.73Å; I178-L283 HydrophobicContact CG1-CD2 3.61Å; A279-L283 HydrophobicContact CB-CD2 4.26Å; D280-L283 PolarHBondContact O-N 3.45Å; D280-L283 VanDerWaalsContact O-N 3.16Å; D280-L283 PolarHBondContact OD1-N 2.78Å; D280-L283 WeakPolarHBondContact OD2-CB 3.24Å; L283-Q287 HydrophobicContact CD1-CB 3.88Å; L283-Q287 HydrophobicContact CD1-CG 3.71Å; L283-Q287 HydrophobicContact CG-CB 4.36Å; L283-Q287 PolarHBondContact O-N 3.42Å; L283-F288 HydrophobicContact CD2-CE2 3.88Å; L283-F288 HydrophobicContact CG-CD2 4.42Å; L283-F288 HydrophobicContact CG-CE2 3.94Å; L283-F288 WeakPolarHBondContact O-CD2 3.49Å; L283-F288 PolarHBondContact O-N 3.47Å; L283-L309 HydrophobicContact CD1-CD2 4.32Å; L283-L309 HydrophobicContact CD2-CD2 4Å; L283-L309 HydrophobicContact CG-CD2 4.14Å
284	A	96.5	Very high	97.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-55.2	-52	178.6	0	0	0	0	0	112.2	I242 I244 D280 R282	I242-A284 HydrophobicContact CB-CB 3.98Å; I242-A284 HydrophobicContact CD1-CB 3.96Å; I242-A284 HydrophobicContact CG1-CB 4.38Å; I242-A284 HydrophobicContact CG2-CB 4.37Å; I244-A284 HydrophobicContact CD1-CB 3.53Å; D280-A284 WeakPolarHBondContact O-CB 3.28Å; D280-A284 PolarHBondContact O-N 3.22Å; R282-A284 VanDerWaalsContact C-N 3.29Å; R282-A284 PolarHBondContact O-N 2.69Å
285	Q	94.4	Very high	97.5	Very high	93 Å²	93	26.3 Å²	26.3	44%	0.435	14%	0.135	S	C	.	.	H	α-helix	trans	-72.1	-48	-178.9	-69.1	179.6	-17.7	0	0	113.1	H281 R282	H281-Q285 PolarHBondContact CE1-NE2 3.15Å; H281-Q285 PolarHBondContact CE1-OE1 3.39Å; H281-Q285 PolarHBondContact NE2-NE2 2.85Å; H281-Q285 WeakPolarHBondContact O-CG 3.34Å; H281-Q285 PolarHBondContact O-N 2.84Å; R282-Q285 PolarHBondContact O-N 3.24Å
286	E	94.7	Very high	97.3	Very high	56 Å²	56	32.3 Å²	32.3	26%	0.262	16%	0.163	S	C	.	.	H	α-helix	trans	-72.6	-50.2	-174.4	-68.4	-175.9	-173	0	0	112.2	R282 K310	R282-E286 HydrophobicContact CG-CG 4.35Å; R282-E286 IonicContact CZ-OE1 3.91Å; R282-E286 VanDerWaalsContact CZ-OE1 3.23Å; R282-E286 IonicContact NE-OE1 2.8Å; R282-E286 PolarHBondContact NE-OE1 3.07Å; R282-E286 IonicContact NE-OE2 3.55Å; R282-E286 IonicContact NH2-OE1 2.86Å; R282-E286 PolarHBondContact NH2-OE1 3.22Å; R282-E286 IonicContact NH2-OE2 2.72Å; R282-E286 PolarHBondContact NH2-OE2 2.9Å; R282-E286 WeakPolarHBondContact O-CB 3.47Å; R282-E286 PolarHBondContact O-N 3.16Å; E286-K310 PolarHBondContact O-NZ 3.16Å
287	Q	97	Very high	97.2	Very high	9 Å²	9	33.8 Å²	33.8	4%	0.042	17%	0.172	C	C	.	.	H	α-helix	trans	-105.1	-28.7	-159.4	-57.8	-54.2	-34.7	0	0	114.6	L283 L309 K310	L283-Q287 HydrophobicContact CD1-CB 3.88Å; L283-Q287 HydrophobicContact CD1-CG 3.71Å; L283-Q287 HydrophobicContact CG-CB 4.36Å; L283-Q287 PolarHBondContact O-N 3.42Å; Q287-L309 HydrophobicContact CB-CD2 4.2Å; Q287-L309 CarbonylContact O-C 3.47Å; Q287-L309 WeakPolarHBondContact O-CA 3.36Å; Q287-K310 WeakPolarHBondContact O-CG 3.45Å; Q287-K310 PolarHBondContact O-N 3.13Å
288	F	98.1	Very high	96.9	Very high	5 Å²	5	41.1 Å²	41.1	2%	0.022	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	153.7	177.7	-74.4	-105.1	0	0	0	112.1	I178 I244 F248 I277 A279 L283 A307 L309 K310	I178-F288 HydrophobicContact CD1-CZ 4.12Å; I244-F288 HydrophobicContact CB-CE1 4.43Å; I244-F288 HydrophobicContact CD1-CD1 4.48Å; I244-F288 HydrophobicContact CD1-CD2 4.27Å; I244-F288 HydrophobicContact CD1-CE1 4.44Å; I244-F288 HydrophobicContact CD1-CE2 4.23Å; I244-F288 HydrophobicContact CD1-CG 4.37Å; I244-F288 HydrophobicContact CD1-CZ 4.31Å; I244-F288 HydrophobicContact CG1-CD1 4.34Å; I244-F288 HydrophobicContact CG1-CE1 4Å; I244-F288 HydrophobicContact CG1-CE2 4.5Å; I244-F288 HydrophobicContact CG1-CZ 4.08Å; I244-F288 HydrophobicContact CG2-CD1 3.48Å; I244-F288 VanDerWaalsContact CG2-CD1 3.48Å; I244-F288 HydrophobicContact CG2-CE1 3.78Å; I244-F288 HydrophobicContact CG2-CG 4.12Å; F248-F288 HydrophobicContact CE2-CB 3.96Å; F248-F288 HydrophobicContact CZ-CB 4.01Å; I277-F288 HydrophobicContact CG2-CE1 4.36Å; A279-F288 HydrophobicContact CB-CE2 3.47Å; A279-F288 VanDerWaalsContact CB-CE2 3.47Å; A279-F288 HydrophobicContact CB-CZ 3.69Å; L283-F288 HydrophobicContact CD2-CE2 3.88Å; L283-F288 HydrophobicContact CG-CD2 4.42Å; L283-F288 HydrophobicContact CG-CE2 3.94Å; L283-F288 WeakPolarHBondContact O-CD2 3.49Å; L283-F288 PolarHBondContact O-N 3.47Å; F288-A307 HydrophobicContact CD1-CB 3.91Å; F288-A307 HydrophobicContact CE1-CB 3.62Å; F288-L309 HydrophobicContact CD1-CD1 3.82Å; F288-L309 HydrophobicContact CD1-CG 3.89Å; F288-L309 HydrophobicContact CD2-CD2 3.92Å; F288-L309 HydrophobicContact CD2-CG 3.89Å; F288-L309 HydrophobicContact CE1-CD1 3.52Å; F288-L309 HydrophobicContact CE1-CD2 4.41Å; F288-L309 HydrophobicContact CE1-CG 3.94Å; F288-L309 HydrophobicContact CE2-CD1 4.27Å; F288-L309 HydrophobicContact CE2-CD2 3.65Å; F288-L309 HydrophobicContact CE2-CG 3.94Å; F288-L309 HydrophobicContact CG-CD1 4.35Å; F288-L309 HydrophobicContact CG-CD2 4.44Å; F288-L309 HydrophobicContact CG-CG 3.9Å; F288-L309 HydrophobicContact CZ-CD1 3.77Å; F288-L309 HydrophobicContact CZ-CD2 3.92Å; F288-L309 HydrophobicContact CZ-CG 3.97Å; F288-K310 WeakPolarHBondContact O-CE 3.26Å; F288-K310 PolarHBondContact O-NZ 2.86Å; F288-K310 VanDerWaalsContact O-NZ 3.12Å
289	S	97.8	Very high	96.5	Very high	56 Å²	56	43 Å²	43	39%	0.392	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	-8.1	-176.3	55.7	0	0	0	0	114.2	H308	S289-H308 PolarHBondContact N-O 2.75Å; S289-H308 PolarHBondContact OG-ND1 2.77Å; S289-H308 PolarHBondContact OG-O 2.58Å
290	G	98.4	Very high	96.4	Very high	14 Å²	14	43.4 Å²	43.4	14%	0.144	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.6	157.5	173.3	0	0	0	0	0	111.1	F248 A307 H308	F248-G290 VanDerWaalsContact CZ-N 3.3Å; G290-A307 CarbonylContact O-C 3.53Å; G290-A307 WeakPolarHBondContact O-CA 3.25Å; G290-H308 PolarHBondContact O-N 2.8Å
291	A	98.7	Very high	96.3	Very high	4 Å²	4	44.6 Å²	44.6	3%	0.033	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	152.7	169.7	0	0	0	0	0	109.7	I244 F248 H249 W306 A307	I244-A291 HydrophobicContact CG2-CB 3.75Å; F248-A291 HydrophobicContact CD2-CB 4.05Å; H249-A291 PolarHBondContact CD2-O 3.48Å; H249-A291 PolarHBondContact NE2-O 3.38Å; A291-W306 CarbonylContact C-O 3.58Å; A291-W306 WeakPolarHBondContact CA-O 3.18Å; A291-W306 VanDerWaalsContact CB-O 3.24Å; A291-W306 WeakPolarHBondContact CB-O 3.41Å; A291-A307 HydrophobicContact CB-CB 3.83Å
292	D	98.8	Very high	96.5	Very high	33 Å²	33	42.5 Å²	42.5	18%	0.176	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	172.1	172.5	-142.2	-49.9	0	0	0	111.5	H249 R252 V305 W306	H249-D292 IonicContact CE1-OD2 3.44Å; H249-D292 PolarHBondContact CE1-OD2 2.91Å; H249-D292 IonicContact NE2-OD2 3.61Å; H249-D292 PolarHBondContact NE2-OD2 3.15Å; R252-D292 IonicContact CZ-OD1 3.21Å; R252-D292 IonicContact CZ-OD2 2.75Å; R252-D292 IonicContact NH1-OD1 3.7Å; R252-D292 PolarHBondContact NH1-OD1 3.05Å; R252-D292 IonicContact NH1-OD2 3.91Å; R252-D292 PolarHBondContact NH1-OD2 2.76Å; R252-D292 IonicContact NH2-OD1 3.38Å; R252-D292 PolarHBondContact NH2-OD1 3.13Å; R252-D292 IonicContact NH2-OD2 3.33Å; D292-V305 WeakPolarHBondContact O-CG1 3.46Å; D292-W306 HydrophobicContact CB-CZ2 3.65Å; D292-W306 PolarHBondContact N-O 2.99Å; D292-W306 PolarHBondContact O-N 3.27Å
293	I	98.7	Very high	96.7	Very high	12 Å²	12	36.5 Å²	36.5	6%	0.062	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	158.6	168.8	56.6	161.8	0	0	0	110.5	F245 A255 F256 T257 P295 V305	F245-I293 HydrophobicContact CD2-CG2 4.38Å; F245-I293 HydrophobicContact CE2-CG2 4.32Å; A255-I293 HydrophobicContact CB-CD1 4.17Å; F256-I293 WeakPolarHBondContact O-CD1 3.22Å; T257-I293 HydrophobicContact CG2-CB 4.47Å; T257-I293 HydrophobicContact CG2-CG2 3.55Å; I293-P295 HydrophobicContact CD1-CG 4.34Å; I293-P295 VanDerWaalsContact O-CD 3.28Å; I293-P295 WeakPolarHBondContact O-CD 3.39Å; I293-V305 HydrophobicContact CG2-CG1 4.29Å; I293-V305 HydrophobicContact CG2-CG2 4.18Å
294	M	98.6	Very high	96.8	Very high	25 Å²	25	36.5 Å²	36.5	12%	0.123	20%	0.203	C	C	.	.			trans	-117.7	60.9	179	-58.8	-172.2	73.3	0	0	111.9	L25 E296 V297 C303 P304	L25-M294 HydrophobicContact CD2-SD 4.29Å; M294-E296 WeakPolarHBondContact CA-OE2 3.22Å; M294-E296 WeakPolarHBondContact CB-OE1 3.47Å; M294-E296 PolarHBondContact O-N 2.99Å; M294-V297 HydrophobicContact CB-CB 4.38Å; M294-V297 HydrophobicContact CB-CG2 3.93Å; M294-V297 HydrophobicContact CE-CG2 3.9Å; M294-V297 PolarHBondContact O-N 3.34Å; M294-C303 WeakPolarHBondContact O-CB 3.5Å; M294-P304 HydrophobicContact CB-CB 4.04Å; M294-P304 HydrophobicContact CB-CG 4.06Å; M294-P304 HydrophobicContact CG-CB 4.17Å; M294-P304 PolarHBondContact N-O 3.2Å; M294-P304 HydrophobicContact SD-CB 3.96Å; M294-P304 HydrophobicContact SD-CG 4.3Å
295	P	97.8	Very high	97	Very high	57 Å²	57	36.7 Å²	36.7	37%	0.37	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.2	-171.4	28.1	-36.9	0	0	0	114.1	W259 R266 I293	W259-P295 HydrophobicContact CH2-CB 4.23Å; R266-P295 PolarHBondContact NH2-O 3.02Å; I293-P295 HydrophobicContact CD1-CG 4.34Å; I293-P295 VanDerWaalsContact O-CD 3.28Å; I293-P295 WeakPolarHBondContact O-CD 3.39Å
296	E	96.4	Very high	97.2	Very high	126 Å²	126	35.7 Å²	35.7	59%	0.589	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-19.2	172.4	75.1	-66	159.7	0	0	114.4	M294 E298	M294-E296 WeakPolarHBondContact CA-OE2 3.22Å; M294-E296 WeakPolarHBondContact CB-OE1 3.47Å; M294-E296 PolarHBondContact O-N 2.99Å; E296-E298 PolarHBondContact O-N 3.23Å
297	V	95.6	Very high	97.4	Very high	33 Å²	33	33 Å²	33	20%	0.2	18%	0.184	C	C	.	.			trans	-81.8	99.5	179.1	177.7	0	0	0	0	110.1	W6 R266 M294 P304	W6-V297 HydrophobicContact CH2-CG1 3.64Å; W6-V297 HydrophobicContact CZ2-CG1 3.96Å; W6-V297 HydrophobicContact CZ3-CG1 4Å; R266-V297 PolarHBondContact NH2-O 2.63Å; M294-V297 HydrophobicContact CB-CB 4.38Å; M294-V297 HydrophobicContact CB-CG2 3.93Å; M294-V297 HydrophobicContact CE-CG2 3.9Å; M294-V297 PolarHBondContact O-N 3.34Å; V297-P304 HydrophobicContact CB-CG 3.85Å; V297-P304 HydrophobicContact CG1-CG 3.74Å; V297-P304 HydrophobicContact CG2-CG 4.26Å
298	E	92.1	Very high	97.4	Very high	156 Å²	156	36.2 Å²	36.2	73%	0.729	20%	0.198	S	C	*	.			trans	-80.7	167	177.1	-63.3	-161.8	140.1	0	0	113.9	E296	E296-E298 PolarHBondContact O-N 3.23Å
299	G	91.4	Very high	97.4	Very high	40 Å²	40	36 Å²	36	41%	0.412	20%	0.197	S	C	.	.	S	Bend	trans	132.9	-34.5	168.7	0	0	0	0	0	113	T13	T13-G299 VanDerWaalsContact CG2-C 3.5Å
300	S	95.9	Very high	97.4	Very high	10 Å²	10	39.3 Å²	39.3	7%	0.07	21%	0.205	C	C	.	.	S	Bend	trans	-108.3	166.4	173.5	179.4	0	0	0	0	110.4	N7 R266 H302	N7-S300 WeakPolarHBondContact O-CB 3.25Å; N7-S300 PolarHBondContact O-OG 2.92Å; R266-S300 PolarHBondContact NH1-O 2.85Å; S300-H302 WeakPolarHBondContact CB-O 3.32Å; S300-H302 PolarHBondContact O-N 2.85Å; S300-H302 PolarHBondContact OG-N 3.34Å; S300-H302 VanDerWaalsContact OG-N 3.08Å
301	D	97	Very high	97.2	Very high	28 Å²	28	39 Å²	39	15%	0.15	20%	0.2	C	C	.	.	S	Bend	trans	-67.4	-17.7	161.1	18.7	32.8	0	0	0	112	N9 W259 T261	N9-D301 WeakPolarHBondContact CB-OD1 3.38Å; N9-D301 PolarHBondContact ND2-OD1 2.77Å; N9-D301 PolarHBondContact ND2-OD2 2.86Å; W259-D301 PolarHBondContact N-O 3.15Å; W259-D301 WeakPolarHBondContact O-CB 3.49Å; T261-D301 HydrophobicContact CG2-CB 3.77Å; T261-D301 PolarHBondContact OG1-OD2 3.47Å
302	H	98.6	Very high	97	Very high	10 Å²	10	42 Å²	42	5%	0.046	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-97.6	159.6	170.6	-60.7	-127.5	0	0	0	112.4	W6 N7 D182 T257 C258 R266 D275 S300	W6-H302 PolarHBondContact NE1-O 3.05Å; N7-H302 HydrophobicContact CB-CB 4.12Å; N7-H302 WeakPolarHBondContact O-CB 3.39Å; D182-H302 IonicContact OD2-CE1 2.74Å; D182-H302 PolarHBondContact OD2-CE1 3.44Å; T257-H302 CarbonylContact O-C 3.54Å; T257-H302 WeakPolarHBondContact O-CA 3.28Å; C258-H302 PolarHBondContact SG-NE2 3.5Å; C258-H302 VanDerWaalsContact SG-NE2 3.35Å; R266-H302 PolarHBondContact NH1-O 2.6Å; D275-H302 VanDerWaalsContact CG-ND1 3.3Å; D275-H302 IonicContact OD1-CE1 3.23Å; D275-H302 IonicContact OD1-CG 2.66Å; D275-H302 IonicContact OD1-ND1 2.81Å; D275-H302 PolarHBondContact OD1-ND1 2.77Å; D275-H302 IonicContact OD2-CE1 3.93Å; D275-H302 IonicContact OD2-CG 2.69Å; D275-H302 IonicContact OD2-ND1 2.71Å; D275-H302 PolarHBondContact OD2-ND1 2.92Å; S300-H302 WeakPolarHBondContact CB-O 3.32Å; S300-H302 PolarHBondContact O-N 2.85Å; S300-H302 PolarHBondContact OG-N 3.34Å; S300-H302 VanDerWaalsContact OG-N 3.08Å
303	C	98.5	Very high	96.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.218	C	C	.	.			trans	-107	160.3	161.8	74.6	0	0	0	0	111.5	T257 W259 M294	T257-C303 PolarHBondContact O-N 3.08Å; W259-C303 HydrophobicContact CH2-CB 4.13Å; W259-C303 HydrophobicContact CZ3-CB 3.86Å; M294-C303 WeakPolarHBondContact O-CB 3.5Å
304	P	98.8	Very high	96.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.231	C	C	.	.			trans	-63.6	158.3	169.9	-14.7	25.1	0	0	0	113.2	V4 T5 W6 L25 M294 V297	V4-P304 HydrophobicContact CG1-CB 3.95Å; T5-P304 CarbonylContact O-C 3.59Å; T5-P304 VanDerWaalsContact O-CA 3.23Å; T5-P304 WeakPolarHBondContact O-CA 3.29Å; W6-P304 HydrophobicContact CB-CB 4.07Å; W6-P304 HydrophobicContact CB-CG 4.23Å; W6-P304 HydrophobicContact CD2-CG 3.72Å; W6-P304 HydrophobicContact CE3-CG 3.99Å; W6-P304 HydrophobicContact CG-CB 4.16Å; W6-P304 HydrophobicContact CG-CG 3.83Å; L25-P304 HydrophobicContact CD2-CB 4.31Å; L25-P304 HydrophobicContact CD2-CG 3.82Å; M294-P304 HydrophobicContact CB-CB 4.04Å; M294-P304 HydrophobicContact CB-CG 4.06Å; M294-P304 HydrophobicContact CG-CB 4.17Å; M294-P304 PolarHBondContact N-O 3.2Å; M294-P304 HydrophobicContact SD-CB 3.96Å; M294-P304 HydrophobicContact SD-CG 4.3Å; V297-P304 HydrophobicContact CB-CG 3.85Å; V297-P304 HydrophobicContact CG1-CG 3.74Å; V297-P304 HydrophobicContact CG2-CG 4.26Å
305	V	98.9	Very high	96.8	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.024	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	137.5	164.4	-166.3	0	0	0	0	107.8	V4 T5 T257 D275 I277 D292 I293	V4-V305 CarbonylContact C-O 3.58Å; V4-V305 WeakPolarHBondContact CA-O 3.43Å; T5-V305 HydrophobicContact CG2-CB 4Å; T5-V305 HydrophobicContact CG2-CG2 4.43Å; T5-V305 PolarHBondContact N-O 3.04Å; T5-V305 PolarHBondContact O-N 3.42Å; T257-V305 HydrophobicContact CG2-CG2 3.73Å; D275-V305 HydrophobicContact CB-CG2 3.74Å; I277-V305 HydrophobicContact CD1-CG1 4.34Å; I277-V305 HydrophobicContact CG1-CG1 4.46Å; D292-V305 WeakPolarHBondContact O-CG1 3.46Å; I293-V305 HydrophobicContact CG2-CG1 4.29Å; I293-V305 HydrophobicContact CG2-CG2 4.18Å
306	W	98.9	Very high	96.7	Very high	71 Å²	71	45 Å²	45	27%	0.269	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	156.1	-180	70.6	-91.1	0	0	0	112.1	L3 V4 A291 D292 H308	L3-W306 VanDerWaalsContact O-CA 3.24Å; L3-W306 WeakPolarHBondContact O-CA 3.33Å; L3-W306 WeakPolarHBondContact O-CB 3.34Å; V4-W306 HydrophobicContact CG2-CB 3.87Å; A291-W306 CarbonylContact C-O 3.58Å; A291-W306 WeakPolarHBondContact CA-O 3.18Å; A291-W306 VanDerWaalsContact CB-O 3.24Å; A291-W306 WeakPolarHBondContact CB-O 3.41Å; D292-W306 HydrophobicContact CB-CZ2 3.65Å; D292-W306 PolarHBondContact N-O 2.99Å; D292-W306 PolarHBondContact O-N 3.27Å; W306-H308 HydrophobicContact CE3-CB 4.4Å; W306-H308 HydrophobicContact CZ3-CB 3.94Å
307	A	98.8	Very high	96.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	151.2	169.1	0	0	0	0	0	111.5	L3 I244 I277 F288 G290 A291	L3-A307 PolarHBondContact N-O 3.35Å; L3-A307 PolarHBondContact O-N 2.82Å; I244-A307 HydrophobicContact CG2-CB 4.43Å; I277-A307 HydrophobicContact CD1-CB 3.67Å; I277-A307 HydrophobicContact CG2-CB 4.31Å; F288-A307 HydrophobicContact CD1-CB 3.91Å; F288-A307 HydrophobicContact CE1-CB 3.62Å; G290-A307 CarbonylContact O-C 3.53Å; G290-A307 WeakPolarHBondContact O-CA 3.25Å; A291-A307 HydrophobicContact CB-CB 3.83Å
308	H	98.6	Very high	96.5	Very high	76 Å²	76	50.8 Å²	50.8	35%	0.352	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.7	179.5	-173.9	-101.9	0	0	0	111.7	M1 S289 G290 W306	M1-H308 WeakPolarHBondContact O-CA 3.36Å; M1-H308 PolarHBondContact O-CD2 3.08Å; S289-H308 PolarHBondContact N-O 2.75Å; S289-H308 PolarHBondContact OG-ND1 2.77Å; S289-H308 PolarHBondContact OG-O 2.58Å; G290-H308 PolarHBondContact O-N 2.8Å; W306-H308 HydrophobicContact CE3-CB 4.4Å; W306-H308 HydrophobicContact CZ3-CB 3.94Å
309	L	97.9	Very high	96.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	143.8	176.7	-63	80.2	0	0	0	110.6	M1 L3 I178 L283 Q287 F288 C311	M1-L309 HydrophobicContact CE-CB 4.26Å; M1-L309 HydrophobicContact CE-CD1 4.01Å; M1-L309 HydrophobicContact CE-CD2 3.8Å; M1-L309 HydrophobicContact CE-CG 4.25Å; M1-L309 PolarHBondContact N-O 2.93Å; M1-L309 PolarHBondContact O-N 2.57Å; L3-L309 HydrophobicContact CD1-CD1 3.73Å; L3-L309 HydrophobicContact CG-CD1 4.06Å; I178-L309 HydrophobicContact CD1-CD2 4.35Å; L283-L309 HydrophobicContact CD1-CD2 4.32Å; L283-L309 HydrophobicContact CD2-CD2 4Å; L283-L309 HydrophobicContact CG-CD2 4.14Å; Q287-L309 HydrophobicContact CB-CD2 4.2Å; Q287-L309 CarbonylContact O-C 3.47Å; Q287-L309 WeakPolarHBondContact O-CA 3.36Å; F288-L309 HydrophobicContact CD1-CD1 3.82Å; F288-L309 HydrophobicContact CD1-CG 3.89Å; F288-L309 HydrophobicContact CD2-CD2 3.92Å; F288-L309 HydrophobicContact CD2-CG 3.89Å; F288-L309 HydrophobicContact CE1-CD1 3.52Å; F288-L309 HydrophobicContact CE1-CD2 4.41Å; F288-L309 HydrophobicContact CE1-CG 3.94Å; F288-L309 HydrophobicContact CE2-CD1 4.27Å; F288-L309 HydrophobicContact CE2-CD2 3.65Å; F288-L309 HydrophobicContact CE2-CG 3.94Å; F288-L309 HydrophobicContact CG-CD1 4.35Å; F288-L309 HydrophobicContact CG-CD2 4.44Å; F288-L309 HydrophobicContact CG-CG 3.9Å; F288-L309 HydrophobicContact CZ-CD1 3.77Å; F288-L309 HydrophobicContact CZ-CD2 3.92Å; F288-L309 HydrophobicContact CZ-CG 3.97Å; L309-C311 VanDerWaalsContact C-N 3.31Å; L309-C311 PolarHBondContact O-N 3.23Å
310	K	97	Very high	96.9	Very high	127 Å²	127	42.6 Å²	42.6	55%	0.552	23%	0.229	S	C	*	.	S	Bend	trans	-67	-30.9	-179.4	-58.7	161.8	-161.7	151.6	0	112.3	E286 Q287 F288	E286-K310 PolarHBondContact O-NZ 3.16Å; Q287-K310 WeakPolarHBondContact O-CG 3.45Å; Q287-K310 PolarHBondContact O-N 3.13Å; F288-K310 WeakPolarHBondContact O-CE 3.26Å; F288-K310 PolarHBondContact O-NZ 2.86Å; F288-K310 VanDerWaalsContact O-NZ 3.12Å
311	C	94.4	Very high	97	Very high	6 Å²	6	45.3 Å²	45.3	4%	0.041	25%	0.247	C	C	.	.	S	Bend	trans	-63.8	151.1	-179	60.1	0	0	0	0	113.3	M1 I126 M127 L309	M1-C311 PolarHBondContact N-O 3.21Å; I126-C311 HydrophobicContact CB-CB 4.33Å; M127-C311 VanDerWaalsContact O-CB 3.31Å; M127-C311 WeakPolarHBondContact O-CB 3.35Å; L309-C311 VanDerWaalsContact C-N 3.31Å; L309-C311 PolarHBondContact O-N 3.23Å
312	S	95.3	Very high	97	Very high	67 Å²	67	45.7 Å²	45.7	47%	0.469	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	148.1	172.6	54.9	0	0	0	0	111	I126 M127	I126-S312 CarbonylContact C-O 3.49Å; I126-S312 VanDerWaalsContact CA-O 3.26Å; I126-S312 WeakPolarHBondContact CA-O 3.33Å; M127-S312 WeakPolarHBondContact CB-OG 3.47Å; M127-S312 PolarHBondContact N-O 2.89Å
313	L	96.6	Very high	96.9	Very high	25 Å²	25	45.3 Å²	45.3	13%	0.131	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	143.7	175.4	-82.1	155.7	0	0	0	111	M1 D28 A76 H124 I126 P315	M1-L313 HydrophobicContact CB-CD1 4.27Å; M1-L313 HydrophobicContact CB-CG 4.39Å; M1-L313 HydrophobicContact CG-CD1 3.76Å; M1-L313 HydrophobicContact CG-CG 4.13Å; M1-L313 HydrophobicContact SD-CD1 3.74Å; M1-L313 HydrophobicContact SD-CD2 3.67Å; M1-L313 HydrophobicContact SD-CG 3.64Å; D28-L313 HydrophobicContact CB-CD1 3.63Å; A76-L313 HydrophobicContact CB-CD1 3.65Å; H124-L313 HydrophobicContact CB-CD2 4.13Å; I126-L313 HydrophobicContact CG2-CD2 4.08Å; L313-P315 WeakPolarHBondContact O-CD 3.49Å
314	L	97.1	Very high	96.8	Very high	60 Å²	60	45.4 Å²	45.4	31%	0.314	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	87.8	173.3	-61.6	173.3	0	0	0	108	K125 M127 E132	K125-L314 HydrophobicContact CB-CB 3.85Å; K125-L314 HydrophobicContact CB-CD1 4.44Å; K125-L314 PolarHBondContact O-N 3.29Å; M127-L314 HydrophobicContact CB-CD1 4.23Å; M127-L314 HydrophobicContact CB-CD2 4.43Å; M127-L314 HydrophobicContact CB-CG 4.38Å; M127-L314 HydrophobicContact CE-CD1 4.28Å; E132-L314 HydrophobicContact CG-CD1 3.98Å
315	P	96.9	Very high	96.5	Very high	65 Å²	65	48 Å²	48	42%	0.422	26%	0.257	S	S	.	.			trans	-68.3	136.7	-173	24.7	-33.2	0	0	0	112.8	N75 L313	N75-P315 WeakPolarHBondContact O-CB 3.3Å; L313-P315 WeakPolarHBondContact O-CD 3.49Å
316	C	95.6	Very high	96.2	Very high	40 Å²	40	53.2 Å²	53.2	27%	0.27	28%	0.278	S	S	.	.			trans	-72.9	142.9	170.7	-68.2	0	0	0	0	111.7	T77 S79 K318	T77-C316 WeakPolarHBondContact CB-O 3.47Å; T77-C316 HydrophobicContact CG2-CB 4.45Å; T77-C316 VanDerWaalsContact CG2-O 3.27Å; T77-C316 WeakPolarHBondContact CG2-O 3Å; T77-C316 PolarHBondContact O-N 3.39Å; S79-C316 WeakPolarHBondContact CA-SG 3.37Å; S79-C316 VanDerWaalsContact CB-SG 3.54Å; C316-K318 PolarHBondContact O-N 2.87Å
317	S	93.3	Very high	95.9	Very high	123 Å²	123	50.9 Å²	50.9	86%	0.86	27%	0.27	S	S	*	.	S	Bend	trans	-68.9	-13.3	-175.6	59.4	0	0	0	0	114.7
318	K	94.6	Very high	95.5	Very high	159 Å²	159	55.4 Å²	55.4	69%	0.691	30%	0.299	S	S	*	.	S	Bend	trans	-141.7	137.2	173.4	-61.8	177.3	-175.4	172.8	0	108.3	C316	C316-K318 PolarHBondContact O-N 2.87Å
319	P	96.3	Very high	95.1	Very high	15 Å²	15	55.6 Å²	55.6	10%	0.097	30%	0.3	C	S	.	.			trans	-71.1	153	171.3	30.6	-34.7	0	0	0	111.2	Y55 T77 C323 Y326	Y55-P319 WeakPolarHBondContact OH-CB 3.37Å; T77-P319 HydrophobicContact CG2-CB 3.9Å; P319-C323 HydrophobicContact CB-CB 3.87Å; P319-C323 HydrophobicContact CG-CB 4.14Å; P319-Y326 HydrophobicContact CG-CE2 3.94Å
320	P	97.1	Very high	94.5	Very high	8 Å²	8	55.9 Å²	55.9	5%	0.052	30%	0.302	C	S	.	.			trans	-69.2	163.1	178.4	27	-35.7	0	0	0	112.8	Y55 P78 A81 L322 C323	Y55-P320 HydrophobicContact CE1-CG 3.83Å; P78-P320 HydrophobicContact CG-CG 4.28Å; P78-P320 WeakPolarHBondContact O-CD 3.24Å; A81-P320 HydrophobicContact CB-CB 4.43Å; A81-P320 HydrophobicContact CB-CG 3.58Å; P320-L322 VanDerWaalsContact C-N 3.25Å; P320-L322 PolarHBondContact O-N 3.4Å; P320-L322 VanDerWaalsContact O-N 3.07Å; P320-C323 VanDerWaalsContact O-CB 3.28Å; P320-C323 WeakPolarHBondContact O-CB 3.45Å; P320-C323 PolarHBondContact O-N 3.02Å
321	P	96.5	Very high	93.6	Very high	68 Å²	68	53.2 Å²	53.2	44%	0.442	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.4	-168.8	-29	38.8	0	0	0	116.5	H92 E93 C323	H92-P321 HydrophobicContact CB-CB 4.04Å; H92-P321 HydrophobicContact CB-CG 4.47Å; E93-P321 WeakPolarHBondContact O-CD 3.38Å; E93-P321 WeakPolarHBondContact O-CG 3.34Å; P321-C323 PolarHBondContact O-N 2.76Å
322	L	96.7	Very high	92	Very high	35 Å²	35	57.1 Å²	57.1	18%	0.183	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-12.4	173.7	-172.6	58.8	0	0	0	113.7	Y55 A81 E83 V120 P320 T324	Y55-L322 HydrophobicContact CD1-CB 4.3Å; Y55-L322 HydrophobicContact CD1-CG 4.5Å; A81-L322 HydrophobicContact CB-CB 4.25Å; A81-L322 HydrophobicContact CB-CD2 4.15Å; E83-L322 HydrophobicContact CB-CD1 4.49Å; E83-L322 HydrophobicContact CB-CD2 4.39Å; V120-L322 HydrophobicContact CG2-CD2 4.21Å; P320-L322 VanDerWaalsContact C-N 3.25Å; P320-L322 PolarHBondContact O-N 3.4Å; P320-L322 VanDerWaalsContact O-N 3.07Å; L322-T324 PolarHBondContact O-N 2.8Å
323	C	97.1	Very high	90.4	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.014	34%	0.342	C	S	.	.	S	Bend	trans	-61.7	128.7	-179.4	-165.9	0	0	0	0	111.8	S54 Y55 P319 P320 P321 R325 Y326	S54-C323 WeakPolarHBondContact O-CA 3.43Å; Y55-C323 HydrophobicContact CD1-CB 4.22Å; Y55-C323 HydrophobicContact CE1-CB 3.57Å; P319-C323 HydrophobicContact CB-CB 3.87Å; P319-C323 HydrophobicContact CG-CB 4.14Å; P320-C323 VanDerWaalsContact O-CB 3.28Å; P320-C323 WeakPolarHBondContact O-CB 3.45Å; P320-C323 PolarHBondContact O-N 3.02Å; P321-C323 PolarHBondContact O-N 2.76Å; C323-R325 HydrophobicContact CB-CG 4.41Å; C323-R325 PolarHBondContact O-N 2.71Å; C323-Y326 HydrophobicContact CB-CD2 3.87Å; C323-Y326 HydrophobicContact CB-CE2 3.96Å; C323-Y326 PolarHBondContact O-N 3.41Å
324	T	95.7	Very high	88.3	Confident	3 Å²	3	65.3 Å²	65.3	2%	0.018	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-56.8	-23.2	-172.5	57.6	0	0	0	0	115	L42 A47 S54 F56 L322 Y326 L327	L42-T324 HydrophobicContact CD2-CG2 4.49Å; A47-T324 HydrophobicContact CB-CG2 4.47Å; A47-T324 PolarHBondContact O-OG1 3.07Å; A47-T324 VanDerWaalsContact O-OG1 3.13Å; S54-T324 PolarHBondContact O-N 3.07Å; S54-T324 WeakPolarHBondContact OG-CG2 3.26Å; S54-T324 PolarHBondContact OG-OG1 3.19Å; F56-T324 HydrophobicContact CD2-CG2 3.43Å; F56-T324 VanDerWaalsContact CD2-CG2 3.43Å; F56-T324 HydrophobicContact CE2-CG2 3.84Å; F56-T324 HydrophobicContact CG-CG2 4.25Å; L322-T324 PolarHBondContact O-N 2.8Å; T324-Y326 PolarHBondContact O-N 3.32Å; T324-L327 HydrophobicContact CG2-CD1 4.06Å; T324-L327 VanDerWaalsContact O-CB 3.25Å; T324-L327 WeakPolarHBondContact O-CB 3.21Å; T324-L327 WeakPolarHBondContact O-CD1 3.25Å; T324-L327 VanDerWaalsContact O-CG 3.32Å; T324-L327 WeakPolarHBondContact O-CG 3.39Å; T324-L327 PolarHBondContact O-N 3.14Å; T324-L327 VanDerWaalsContact O-N 3.07Å
325	R	92.8	Very high	86.4	Confident	53 Å²	53	66 Å²	66	20%	0.2	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-65	-15.1	174.9	69.2	174.8	54.8	139.3	9.7	114.4	I48 Y52 N53 C323 R339	I48-R325 HydrophobicContact CD1-CB 4.22Å; I48-R325 HydrophobicContact CG1-CB 4.4Å; Y52-R325 PolarHBondContact O-NH2 2.67Å; N53-R325 PolarHBondContact OD1-NH1 2.98Å; N53-R325 PolarHBondContact OD1-NH2 2.78Å; C323-R325 HydrophobicContact CB-CG 4.41Å; C323-R325 PolarHBondContact O-N 2.71Å; R325-R339 VanDerWaalsContact NH2-CZ 3.34Å
326	Y	93.9	Very high	84.7	Confident	115 Å²	115	68 Å²	68	45%	0.451	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-94.7	0	175.2	-55.8	-52.3	0	0	0	113.1	P319 C323 T324 P328	P319-Y326 HydrophobicContact CG-CE2 3.94Å; C323-Y326 HydrophobicContact CB-CD2 3.87Å; C323-Y326 HydrophobicContact CB-CE2 3.96Å; C323-Y326 PolarHBondContact O-N 3.41Å; T324-Y326 PolarHBondContact O-N 3.32Å; Y326-P328 WeakPolarHBondContact O-CD 3.24Å
327	L	92.6	Very high	82.9	Confident	21 Å²	21	72 Å²	72	11%	0.11	39%	0.394	C	S	.	.			trans	-64.4	123.1	174.2	-70	169	0	0	0	110.2	L42 T324 E329 F330 A331	L42-L327 HydrophobicContact CD2-CD1 4.06Å; T324-L327 HydrophobicContact CG2-CD1 4.06Å; T324-L327 VanDerWaalsContact O-CB 3.25Å; T324-L327 WeakPolarHBondContact O-CB 3.21Å; T324-L327 WeakPolarHBondContact O-CD1 3.25Å; T324-L327 VanDerWaalsContact O-CG 3.32Å; T324-L327 WeakPolarHBondContact O-CG 3.39Å; T324-L327 PolarHBondContact O-N 3.14Å; T324-L327 VanDerWaalsContact O-N 3.07Å; L327-E329 WeakPolarHBondContact CB-OE2 3.5Å; L327-E329 PolarHBondContact O-N 3.25Å; L327-F330 HydrophobicContact CB-CD2 3.9Å; L327-F330 HydrophobicContact CB-CE2 4.21Å; L327-F330 HydrophobicContact CD1-CD2 4.22Å; L327-F330 HydrophobicContact CD1-CE2 3.78Å; L327-F330 PolarHBondContact O-N 3.4Å; L327-A331 PolarHBondContact O-N 3.21Å
328	P	90.4	Very high	81.2	Confident	95 Å²	95	69.6 Å²	69.6	62%	0.617	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-25.3	178.2	-29.3	36.4	0	0	0	114.6	Y326 F330 A331	Y326-P328 WeakPolarHBondContact O-CD 3.24Å; P328-F330 PolarHBondContact O-N 3.48Å; P328-A331 PolarHBondContact O-N 2.97Å
329	E	88.4	Confident	79.4	Confident	80 Å²	80	66.9 Å²	66.9	37%	0.374	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.5	176.6	-61.3	90	154.4	0	0	114	R39 L327 K333	R39-E329 IonicContact CZ-OE1 2.81Å; R39-E329 IonicContact CZ-OE2 3.93Å; R39-E329 IonicContact NE-OE1 3.24Å; R39-E329 PolarHBondContact NE-OE1 3.08Å; R39-E329 IonicContact NE-OE2 3.81Å; R39-E329 VanDerWaalsContact NH2-CD 3.33Å; R39-E329 IonicContact NH2-OE1 3.37Å; R39-E329 PolarHBondContact NH2-OE1 3.36Å; R39-E329 IonicContact NH2-OE2 2.66Å; R39-E329 PolarHBondContact NH2-OE2 3.01Å; L327-E329 WeakPolarHBondContact CB-OE2 3.5Å; L327-E329 PolarHBondContact O-N 3.25Å; E329-K333 PolarHBondContact O-NZ 3.3Å
330	F	87.3	Confident	77.6	Confident	7 Å²	7	73.9 Å²	73.9	3%	0.031	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-14.6	175.2	-50.6	-50.1	0	0	0	113	L42 E44 A47 I48 L327 P328 G332 K333	L42-F330 HydrophobicContact CD2-CE2 4.13Å; L42-F330 HydrophobicContact CD2-CZ 4.26Å; L42-F330 HydrophobicContact CG-CE2 4.38Å; L42-F330 HydrophobicContact CG-CZ 4.04Å; L42-F330 WeakPolarHBondContact O-CZ 3.42Å; E44-F330 HydrophobicContact CB-CD1 3.63Å; E44-F330 HydrophobicContact CB-CE1 3.77Å; E44-F330 HydrophobicContact CB-CG 4.43Å; E44-F330 HydrophobicContact CG-CB 4.44Å; E44-F330 HydrophobicContact CG-CD1 3.8Å; E44-F330 HydrophobicContact CG-CE1 4.4Å; E44-F330 HydrophobicContact CG-CG 4.18Å; A47-F330 HydrophobicContact CB-CD2 3.99Å; A47-F330 HydrophobicContact CB-CE2 3.34Å; A47-F330 HydrophobicContact CB-CZ 3.8Å; I48-F330 HydrophobicContact CD1-CB 3.79Å; I48-F330 HydrophobicContact CD1-CD2 4.22Å; I48-F330 HydrophobicContact CD1-CG 4.16Å; I48-F330 HydrophobicContact CG1-CD2 4.45Å; L327-F330 HydrophobicContact CB-CD2 3.9Å; L327-F330 HydrophobicContact CB-CE2 4.21Å; L327-F330 HydrophobicContact CD1-CD2 4.22Å; L327-F330 HydrophobicContact CD1-CE2 3.78Å; L327-F330 PolarHBondContact O-N 3.4Å; P328-F330 PolarHBondContact O-N 3.48Å; F330-G332 PolarHBondContact O-N 2.65Å; F330-K333 PolarHBondContact O-N 3.12Å
331	A	76.9	Confident	75.4	Confident	71 Å²	71	79.9 Å²	79.9	59%	0.587	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	133.9	172.2	0	0	0	0	0	111.3	L327 P328 K333	L327-A331 PolarHBondContact O-N 3.21Å; P328-A331 PolarHBondContact O-N 2.97Å; A331-K333 VanDerWaalsContact C-N 3.31Å; A331-K333 PolarHBondContact O-N 3.48Å
332	G	61.9	Low	73	Confident	87 Å²	87	82.8 Å²	82.8	90%	0.897	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	-9	180	0	0	0	0	0	115.7	F330	F330-G332 PolarHBondContact O-N 2.65Å
333	K	60.5	Low	70.5	Confident	97 Å²	97	90.4 Å²	90.4	42%	0.422	47%	0.471	S	S	.	.	S	Bend	trans	-76.7	137	161.4	-64.5	175.8	-171.1	148.3	0	108.5	E44 E329 F330 A331 Q335	E44-K333 WeakPolarHBondContact OE2-CD 3.32Å; E329-K333 PolarHBondContact O-NZ 3.3Å; F330-K333 PolarHBondContact O-N 3.12Å; A331-K333 VanDerWaalsContact C-N 3.31Å; A331-K333 PolarHBondContact O-N 3.48Å; K333-Q335 PolarHBondContact O-N 3.29Å; K333-Q335 PolarHBondContact O-NE2 2.65Å
334	Q	52.4	Low	67.7	Low	167 Å²	167	96.1 Å²	96.1	78%	0.78	51%	0.506	S	S	*	.			trans	-63.3	98.8	-170.6	-175.5	-178.6	-5.5	0	0	111.3	K336	Q334-K336 PolarHBondContact O-N 2.91Å
335	Q	58.3	Low	64.9	Low	74 Å²	74	103.2 Å²	103.2	35%	0.346	54%	0.544	S	S	.	.			trans	-59.4	132.8	173.8	-61.3	-56.8	-65.7	0	0	109.3	E44 K333 L337	E44-Q335 PolarHBondContact OE1-NE2 2.95Å; K333-Q335 PolarHBondContact O-N 3.29Å; K333-Q335 PolarHBondContact O-NE2 2.65Å; Q335-L337 PolarHBondContact O-N 2.95Å
336	K	59.6	Low	62.3	Low	109 Å²	109	109.7 Å²	109.7	47%	0.474	58%	0.577	S	S	.	*			trans	-61.1	131.9	-169.7	-59.9	176.6	-166.7	156.7	0	111.3	D50 Q334 S338 R339	D50-K336 IonicContact OD1-NZ 2.92Å; D50-K336 PolarHBondContact OD1-NZ 2.9Å; D50-K336 IonicContact OD2-NZ 2.61Å; D50-K336 PolarHBondContact OD2-NZ 2.67Å; Q334-K336 PolarHBondContact O-N 2.91Å; K336-S338 WeakPolarHBondContact CB-OG 3.29Å; K336-S338 PolarHBondContact O-N 3.03Å; K336-R339 PolarHBondContact O-N 3.45Å
337	L	57.7	Low	59.8	Low	122 Å²	122	114 Å²	114	64%	0.639	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-54	-27.6	176	-80.2	164.4	0	0	0	113.4	Q335 R339 F340	Q335-L337 PolarHBondContact O-N 2.95Å; L337-R339 PolarHBondContact O-N 3.45Å; L337-R339 VanDerWaalsContact O-N 3.07Å; L337-F340 PolarHBondContact O-N 3.5Å
338	S	59.5	Low	56.9	Low	74 Å²	74	118.2 Å²	118.2	52%	0.517	63%	0.629	S	S	.	*	G	3₁₀ helix	trans	-56.6	-20	173.5	55.5	0	0	0	0	114.6	K336	K336-S338 WeakPolarHBondContact CB-OG 3.29Å; K336-S338 PolarHBondContact O-N 3.03Å
339	R	56.1	Low	54.2	Low	102 Å²	102	123.7 Å²	123.7	39%	0.385	64%	0.643	S	S	.	*	G	3₁₀ helix	trans	-84.5	-12.3	177.6	-163	162.7	-176.1	99.2	21.3	114	D74 R325 K336 L337	D74-R339 VanDerWaalsContact CG-NH2 3.28Å; D74-R339 IonicContact OD1-CZ 3.67Å; D74-R339 IonicContact OD1-NH1 3.35Å; D74-R339 IonicContact OD1-NH2 3.12Å; D74-R339 PolarHBondContact OD1-NH2 3.3Å; D74-R339 IonicContact OD2-CZ 3.2Å; D74-R339 IonicContact OD2-NH1 2.84Å; D74-R339 PolarHBondContact OD2-NH1 3.47Å; D74-R339 IonicContact OD2-NH2 2.72Å; D74-R339 PolarHBondContact OD2-NH2 2.92Å; D74-R339 VanDerWaalsContact OD2-NH2 3.12Å; R325-R339 VanDerWaalsContact NH2-CZ 3.34Å; K336-R339 PolarHBondContact O-N 3.45Å; L337-R339 PolarHBondContact O-N 3.45Å; L337-R339 VanDerWaalsContact O-N 3.07Å
340	F	57.4	Low	51.6	Low	161 Å²	161	129 Å²	129	71%	0.706	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-14.8	169.4	-63.5	-86.9	0	0	0	112.6	L337 V342	L337-F340 PolarHBondContact O-N 3.5Å; F340-V342 PolarHBondContact O-N 3.03Å
341	L	51.3	Low	49	Very low	135 Å²	135	133.4 Å²	133.4	71%	0.707	71%	0.706	S	S	*	*			trans	-95.7	85.8	-179.8	-64.3	174.6	0	0	0	110.2	K343	L341-K343 PolarHBondContact O-N 2.92Å
342	V	45.8	Very low	47	Very low	129 Å²	129	137.9 Å²	137.9	78%	0.782	72%	0.719	S	S	*	*			trans	-59.7	120.8	167.5	179.3	0	0	0	0	108.4	F340 V344	F340-V342 PolarHBondContact O-N 3.03Å; V342-V344 PolarHBondContact O-N 3.08Å; V342-V344 VanDerWaalsContact O-N 3.16Å
343	K	45.5	Very low	45.8	Very low	194 Å²	194	139.7 Å²	139.7	84%	0.843	72%	0.715	S	S	*	*			trans	-72.5	106.4	170.9	-74.7	-171.9	175.8	-174.2	0	109	L341	L341-K343 PolarHBondContact O-N 2.92Å
344	V	38.3	Very low	44.3	Very low	123 Å²	123	138.7 Å²	138.7	75%	0.745	73%	0.732	S	S	*	*			trans	-76.7	121	163.4	-179.1	0	0	0	0	107.6	V342 Q346	V342-V344 PolarHBondContact O-N 3.08Å; V342-V344 VanDerWaalsContact O-N 3.16Å; V344-Q346 PolarHBondContact O-N 3.42Å
345	D	35.7	Very low	43.4	Very low	151 Å²	151	135.7 Å²	135.7	81%	0.807	73%	0.729	S	S	*	*			trans	-68.9	115	176.7	-85.8	-42	0	0	0	110.8	K347	D345-K347 VanDerWaalsContact C-N 3.31Å; D345-K347 PolarHBondContact O-N 2.83Å
346	Q	39	Very low	42.1	Very low	190 Å²	190	141.2 Å²	141.2	89%	0.888	76%	0.755	S	S	*	*			trans	-76.1	79.7	178.7	-72.5	-170	-18.8	0	0	111.5	V344	V344-Q346 PolarHBondContact O-N 3.42Å
347	K	40.5	Very low	40.9	Very low	204 Å²	204	145.1 Å²	145.1	89%	0.887	78%	0.775	S	S	*	*			trans	-126.5	35.4	169.9	-95.8	-165.5	175.3	-175.3	0	115.1	D345	D345-K347 VanDerWaalsContact C-N 3.31Å; D345-K347 PolarHBondContact O-N 2.83Å
348	S	32.9	Very low	39.6	Very low	111 Å²	111	148.8 Å²	148.8	78%	0.776	79%	0.789	S	S	*	*			trans	-144.3	123.3	153.9	46.7	0	0	0	0	110.1
349	K	33.3	Very low	38.2	Very low	210 Å²	210	152.4 Å²	152.4	91%	0.913	80%	0.798	S	S	*	*			trans	-113.9	95.7	166.5	-94.1	-167.6	173.8	-174.3	0	107.6
350	E	33.5	Very low	36.9	Very low	192 Å²	192	157 Å²	157	90%	0.897	82%	0.823	S	S	*	*			trans	-121.4	156.5	159.1	-66.4	-164.7	139.9	0	0	108.8
351	A	33.2	Very low	35.5	Very low	99 Å²	99	156.1 Å²	156.1	82%	0.818	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-87.2	142.9	-155.4	0	0	0	0	0	114.3
352	L	35	Very low	34.4	Very low	165 Å²	165	159.4 Å²	159.4	86%	0.864	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-76.5	135.9	166.3	-69	165.7	0	0	0	110.8
353	P	37	Very low	33.6	Very low	125 Å²	125	161 Å²	161	81%	0.812	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-81.2	142.5	134.5	34.1	-27.9	0	0	0	108.8
354	G	29.1	Very low	33	Very low	76 Å²	76	158.5 Å²	158.5	78%	0.784	82%	0.817	S	S	*	*			trans	-133.9	163.6	178.9	0	0	0	0	0	112.3
355	S	32.7	Very low	32.6	Very low	104 Å²	104	160.7 Å²	160.7	73%	0.727	82%	0.821	S	S	*	*			trans	-160.2	136.4	171.6	55.6	0	0	0	0	112.6
356	Q	30.5	Very low	32.5	Very low	189 Å²	189	160.7 Å²	160.7	88%	0.883	82%	0.821	S	S	*	*			trans	70.9	113.8	153.4	-70.5	164.7	-38	0	0	119.1
357	E	34.2	Very low	32.7	Very low	191 Å²	191	157.9 Å²	157.9	89%	0.893	82%	0.82	S	S	*	*			trans	-81.8	150.4	154.9	-53.3	163.7	128.7	0	0	108.8
358	E	31.2	Very low	32.1	Very low	200 Å²	200	157.8 Å²	157.8	94%	0.935	82%	0.82	S	S	*	*			trans	-134	144.3	147.4	-75.9	-161.8	136.8	0	0	108.9
359	E	29.6	Very low	31.8	Very low	149 Å²	149	158.5 Å²	158.5	70%	0.696	82%	0.823	S	S	*	*			trans	-78.4	153.1	177.4	-57.3	-168.7	83.5	0	0	111.2	K361	E359-K361 IonicContact OE1-NZ 2.57Å; E359-K361 PolarHBondContact OE1-NZ 3.37Å; E359-K361 IonicContact OE2-NZ 3.7Å
360	E	29.8	Very low	31.5	Very low	199 Å²	199	152.1 Å²	152.1	93%	0.93	82%	0.817	S	S	*	*				-153.8	-178.7	112.2	-120.6	-173.3	179.6	0	0	113
361	K	27.7	Very low	31.3	Very low	142 Å²	142	150.4 Å²	150.4	62%	0.617	81%	0.814	S	S	*	*			trans	-142	160.1	-143.5	-119.9	-176	-160.4	98.7	0	111	E359	E359-K361 IonicContact OE1-NZ 2.57Å; E359-K361 PolarHBondContact OE1-NZ 3.37Å; E359-K361 IonicContact OE2-NZ 3.7Å
362	R	27.7	Very low	31.1	Very low	204 Å²	204	150 Å²	150	77%	0.77	81%	0.805	S	S	*	*			trans	71.4	161.2	163.6	-62.6	179.2	148.7	143.1	-1	116.6
363	E	30.1	Very low	30.9	Very low	162 Å²	162	150.9 Å²	150.9	76%	0.757	80%	0.802	S	S	*	*			cis	-148.8	168.4	-22.5	-115.7	154.9	-160	0	0	109.5
364	N	32.4	Very low	30.4	Very low	142 Å²	142	154.5 Å²	154.5	76%	0.759	81%	0.805	S	S	*	*			trans	-110.4	113.2	-174.6	177.7	23	0	0	0	111.3
365	M	30.2	Very low	30.3	Very low	170 Å²	170	162.4 Å²	162.4	84%	0.837	81%	0.811	S	S	*	*			trans	-148.1	130.3	172.1	-89.4	-65.9	106.4	0	0	113
366	N	33.4	Very low	30	Very low	151 Å²	151	161.9 Å²	161.9	81%	0.807	81%	0.808	S	S	*	*			trans	-78.3	158.5	157.4	-75.9	-36.9	0	0	0	110
367	P	42.6	Very low	30	Very low	131 Å²	131	159.1 Å²	159.1	85%	0.851	81%	0.809	S	S	*	*			trans	-126.5	155.7	138.4	35.9	-27.7	0	0	0	112.8
368	F	27.5	Very low	29.8	Very low	202 Å²	202	154.9 Å²	154.9	89%	0.886	81%	0.807	S	S	*	*			trans	-129	120.8	-177.3	-172	-88.2	0	0	0	110.8
369	C	27.9	Very low	29.9	Very low	126 Å²	126	150.6 Å²	150.6	85%	0.851	80%	0.799	S	S	*	*			trans	60.7	136.6	163.9	-152.1	0	0	0	0	119.2
370	G	26.2	Very low	29.8	Very low	76 Å²	76	152.6 Å²	152.6	78%	0.784	81%	0.808	S	S	*	*			trans	-173	127.9	173.2	0	0	0	0	0	111.5
371	D	29.1	Very low	29.8	Very low	156 Å²	156	147.9 Å²	147.9	83%	0.834	80%	0.797	S	S	*	*			trans	-104.4	137.4	-164.3	-156.9	-15.9	0	0	0	112.3
372	S	29.4	Very low	29.9	Very low	89 Å²	89	146.8 Å²	146.8	62%	0.622	80%	0.803	S	S	*	*			trans	159	124	139.5	-79.8	0	0	0	0	118.2
373	K	29.4	Very low	30	Very low	185 Å²	185	141 Å²	141	80%	0.804	80%	0.798	S	S	*	*				64	97.7	128.9	-60.9	170.1	-174.8	163.1	0	122.8
374	K	26.8	Very low	30.9	Very low	201 Å²	201	138.6 Å²	138.6	87%	0.874	80%	0.796	S	S	*	*				63.3	103.1	101.8	-170.8	-172.5	-172.7	179.8	0	120.6
375	R	27.1	Very low	30.9	Very low	241 Å²	241	141.5 Å²	141.5	91%	0.909	80%	0.802	S	S	*	*			trans	-178.3	169.3	135.9	-99.8	-164.4	162.8	149.2	-6.2	109.7
376	S	27.7	Very low	30.8	Very low	94 Å²	94	136.6 Å²	136.6	66%	0.657	80%	0.795	S	S	*	*				178.1	117.5	-61.2	54.5	0	0	0	0	111
377	S	31.1	Very low	30.7	Very low	130 Å²	130	139.5 Å²	139.5	91%	0.909	80%	0.801	S	S	*	*			trans	-169.4	155.6	159.1	49	0	0	0	0	109.8
378	A	30	Very low	30.1	Very low	103 Å²	103	142.1 Å²	142.1	85%	0.851	80%	0.799	S	S	*	*			trans	-156.4	145.2	-174.2	0	0	0	0	0	113.4
379	S	31.9	Very low	30.2	Very low	109 Å²	109	137.6 Å²	137.6	76%	0.762	79%	0.792	S	S	*	*			trans	-172.3	152.5	158.1	51.8	0	0	0	0	107.9
380	E	28.1	Very low	30.3	Very low	192 Å²	192	140.1 Å²	140.1	90%	0.897	79%	0.789	S	S	*	*			cis	-150	169.7	-18	-121.2	176.9	147.7	0	0	110.6
381	S	29.2	Very low	30.4	Very low	100 Å²	100	141.1 Å²	141.1	70%	0.699	78%	0.78	S	S	*	*			trans	-95.3	-177	179.5	62.7	0	0	0	0	111.5
382	T	31.4	Very low	30.2	Very low	119 Å²	119	139.3 Å²	139.3	73%	0.73	77%	0.774	S	S	*	*			cis	-164.6	137.9	25.3	-14	0	0	0	0	109.9
383	A	29.6	Very low	30	Very low	81 Å²	81	141.3 Å²	141.3	67%	0.669	78%	0.778	S	S	*	*				46.9	133.5	108.1	0	0	0	0	0	118.9
384	P	47.6	Very low	29.9	Very low	112 Å²	112	138.3 Å²	138.3	73%	0.727	78%	0.775	S	S	*	*				-140.6	-175.9	91.4	28.3	-9.2	0	0	0	114.1
385	K	32.7	Very low	30	Very low	204 Å²	204	134.8 Å²	134.8	89%	0.887	78%	0.776	S	S	*	*			cis	-173.2	144.8	-35.9	-88.4	156	-163.1	162.2	0	105
386	G	27.8	Very low	30.3	Very low	67 Å²	67	128.8 Å²	128.8	69%	0.691	77%	0.771	S	S	*	*			cis	160.1	175.9	-6.3	0	0	0	0	0	112.8
387	K	32	Very low	30.8	Very low	211 Å²	211	133.8 Å²	133.8	92%	0.917	78%	0.781	S	S	*	*			trans	67.7	142.6	170.2	-57.7	179.3	176.8	177.7	0	116.4
388	K	29.2	Very low	31.2	Very low	187 Å²	187	133.5 Å²	133.5	81%	0.813	78%	0.776	S	S	*	*			cis	-133.2	131.4	9.9	-67.1	177.8	-175.8	173.3	0	108.7
389	S	31.3	Very low	31.7	Very low	107 Å²	107	140.1 Å²	140.1	75%	0.748	78%	0.779	S	S	*	*				50.8	137.2	88.2	83.2	0	0	0	0	116.1
390	K	29.2	Very low	31.9	Very low	179 Å²	179	138.9 Å²	138.9	78%	0.778	78%	0.784	S	S	*	*			cis	-167.1	148.3	22.1	-151.2	-163.6	174.9	-172.4	0	114
391	T	27.4	Very low	32.3	Very low	96 Å²	96	135.8 Å²	135.8	59%	0.589	77%	0.773	S	S	*	*			trans	53	115.3	148.9	44.2	0	0	0	0	120.8
392	T	25	Very low	32.8	Very low	118 Å²	118	138.2 Å²	138.2	72%	0.724	78%	0.778	S	S	*	*				77	147.8	65.8	66.1	0	0	0	0	115.1
393	N	26.8	Very low	33.3	Very low	131 Å²	131	139.2 Å²	139.2	70%	0.701	78%	0.778	S	S	*	*			cis	-160.4	158.9	16.1	-134.2	6.9	0	0	0	115.6
394	T	26.9	Very low	34	Very low	122 Å²	122	140.1 Å²	140.1	75%	0.748	78%	0.779	S	S	*	*			trans	42.3	130.4	148.3	54.8	0	0	0	0	124.2
395	S	27.7	Very low	33.7	Very low	128 Å²	128	143.2 Å²	143.2	90%	0.895	78%	0.781	S	S	*	*				-163.7	172.2	120.6	57.2	0	0	0	0	111.9
396	S	33.3	Very low	34.2	Very low	115 Å²	115	142 Å²	142	80%	0.804	78%	0.776	S	S	*	*			trans	-109.4	159.9	-165.6	50.9	0	0	0	0	115.5
397	K	38.9	Very low	34.6	Very low	198 Å²	198	147.9 Å²	147.9	86%	0.861	78%	0.783	S	S	*	*			trans	-64.5	157.2	179.3	-61	179.9	179.6	178.6	0	113.9
398	P	38.9	Very low	34.6	Very low	125 Å²	125	143.9 Å²	143.9	81%	0.812	78%	0.779	S	S	*	*				-113.2	164.2	127.2	34.5	-32.2	0	0	0	112.6
399	R	40.3	Very low	34.7	Very low	242 Å²	242	144.8 Å²	144.8	91%	0.913	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-90.8	134.5	175.8	-72.9	173.1	167.3	155.8	-6.6	110.5
400	G	36.2	Very low	34.6	Very low	83 Å²	83	148 Å²	148	86%	0.856	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-79	146.6	166.5	0	0	0	0	0	111.9
401	N	37.8	Very low	34.7	Very low	126 Å²	126	145.5 Å²	145.5	67%	0.674	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-100.6	145.2	-179.9	-166.1	4.6	0	0	0	111.4	L403	N401-L403 PolarHBondContact O-N 3.27Å
402	L	38.2	Very low	34.8	Very low	152 Å²	152	148.8 Å²	148.8	80%	0.796	81%	0.805	S	S	*	*	G	3₁₀ helix	trans	-74.1	0.5	-164.3	-148.3	78.4	0	0	0	115.4
403	L	42.9	Very low	35	Very low	140 Å²	140	148.7 Å²	148.7	73%	0.733	80%	0.804	S	S	*	*	G	3₁₀ helix	trans	-90.6	-0.3	-172.3	-81.9	161.9	0	0	0	115	N401 F405	N401-L403 PolarHBondContact O-N 3.27Å; L403-F405 VanDerWaalsContact C-N 3.32Å; L403-F405 PolarHBondContact O-N 3.5Å
404	S	44.3	Very low	35	Very low	100 Å²	100	151.7 Å²	151.7	70%	0.699	81%	0.81	S	S	*	*	G	3₁₀ helix	trans	-77	-12.6	177.8	52.3	0	0	0	0	114.6
405	F	41.1	Very low	35.3	Very low	176 Å²	176	151.6 Å²	151.6	77%	0.772	81%	0.812	S	S	*	*	G	3₁₀ helix	trans	-86.8	-10	-173.9	-91.1	-93.5	0	0	0	115.6	L403	L403-F405 VanDerWaalsContact C-N 3.32Å; L403-F405 PolarHBondContact O-N 3.5Å
406	F	42.4	Very low	35.2	Very low	178 Å²	178	150.7 Å²	150.7	78%	0.781	80%	0.804	S	S	*	*			trans	-116.4	76.4	-175.4	-69.6	-78.2	0	0	0	113
407	K	36.6	Very low	34.8	Very low	191 Å²	191	153.1 Å²	153.1	83%	0.83	80%	0.803	S	S	*	*			trans	-139.4	127.9	158.9	-72.6	-166.4	176	-174.8	0	110.8
408	P	32.7	Very low	34.2	Very low	128 Å²	128	150.4 Å²	150.4	83%	0.831	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-71.5	142.6	173.4	30.9	-33.8	0	0	0	110.2
409	K	30.8	Very low	33.7	Very low	206 Å²	206	150.8 Å²	150.8	90%	0.896	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-88.7	126.1	166.1	-77.1	-170.3	173.7	-174.9	0	109.5
410	L	30	Very low	33.8	Very low	173 Å²	173	145.2 Å²	145.2	91%	0.906	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-70.1	147.2	167.1	-76	157.2	0	0	0	110
411	T	30.6	Very low	33.2	Very low	127 Å²	127	144.9 Å²	144.9	78%	0.779	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-80.5	142.3	166.3	49	0	0	0	0	110.2
412	D	29	Very low	32.7	Very low	166 Å²	166	146.2 Å²	146.2	89%	0.888	80%	0.796	S	S	*	*			trans	-126.3	148	166.7	-128.5	-35.7	0	0	0	110.2
413	V	29.7	Very low	32.2	Very low	116 Å²	116	144.2 Å²	144.2	70%	0.703	79%	0.786	S	S	*	*			trans	-149.4	133	-167.7	-177.7	0	0	0	0	111.1
414	K	27.8	Very low	31.5	Very low	194 Å²	194	144.1 Å²	144.1	84%	0.843	78%	0.782	S	S	*	*			trans	141.4	162.6	154.6	-85.1	166.9	-176.8	-176.9	0	112.2
415	P	32.6	Very low	30.7	Very low	120 Å²	120	147.8 Å²	147.8	78%	0.779	79%	0.786	S	S	*	*			cis	-128.3	-162.2	-19.8	30.8	-8.8	0	0	0	113.2
416	C	24.5	Very low	30.1	Very low	109 Å²	109	146.8 Å²	146.8	74%	0.736	79%	0.787	S	S	*	*			trans	-60.6	179.6	177.6	-61.9	0	0	0	0	114.4
417	E	26.1	Very low	29.4	Very low	165 Å²	165	142 Å²	142	77%	0.771	78%	0.776	S	S	*	*			cis	-172.6	176	42.3	-153.6	159.1	-110	0	0	115.4
418	N	26.7	Very low	28.9	Very low	142 Å²	142	138.5 Å²	138.5	76%	0.759	78%	0.775	S	S	*	*			trans	87.9	117.5	161.4	-61.1	-51.7	0	0	0	122.3
419	T	27.4	Very low	28.8	Very low	132 Å²	132	140.5 Å²	140.5	81%	0.81	77%	0.773	S	S	*	*			trans	-91.8	-171.2	153.4	50.7	0	0	0	0	108.8
420	P	41.9	Very low	28.6	Very low	126 Å²	126	136.2 Å²	136.2	82%	0.818	77%	0.769	S	S	*	*			cis	-140.1	-174.8	5.6	44.6	-26	0	0	0	116.9
421	G	24.6	Very low	28.4	Very low	76 Å²	76	137.1 Å²	137.1	78%	0.784	77%	0.765	S	S	*	*			trans	119.7	160.6	158.1	0	0	0	0	0	115.6
422	L	26.6	Very low	28.7	Very low	153 Å²	153	137 Å²	137	80%	0.801	77%	0.767	S	S	*	*				-175.5	162.4	-53	177.1	59	0	0	0	106.8
423	D	27.1	Very low	28.5	Very low	110 Å²	110	139 Å²	139	59%	0.588	77%	0.768	S	S	*	*			trans	74.3	116.3	170.7	-66.9	-31.8	0	0	0	118.5
424	Q	28.8	Very low	28.5	Very low	139 Å²	139	138.3 Å²	138.3	65%	0.65	78%	0.775	S	S	*	*				84.1	140	96.2	-70.2	175.1	43.8	0	0	112.9
425	F	27.1	Very low	28.4	Very low	177 Å²	177	135 Å²	135	78%	0.776	78%	0.776	S	S	*	*			cis	-154.9	-164.9	4.3	-120.5	-35.3	0	0	0	108.7
426	I	29.2	Very low	28.2	Very low	155 Å²	155	133.3 Å²	133.3	80%	0.795	77%	0.772	S	S	*	*			cis	-136.5	-98.3	12.2	-165.6	164.5	0	0	0	114.4
427	S	27.6	Very low	28.3	Very low	78 Å²	78	135.1 Å²	135.1	55%	0.545	78%	0.78	S	S	.	*			trans	-165.5	154.5	-169.2	176.9	0	0	0	0	113.5
428	S	27.3	Very low	28.4	Very low	117 Å²	117	132.7 Å²	132.7	82%	0.818	78%	0.781	S	S	*	*				-155.4	154.6	129.5	60.3	0	0	0	0	112
429	H	30.1	Very low	28.4	Very low	170 Å²	170	133.7 Å²	133.7	79%	0.787	78%	0.781	S	S	*	*			trans	-99.7	161.1	-169	-71.4	-83.9	0	0	0	112.5
430	S	26.2	Very low	28.3	Very low	116 Å²	116	135.7 Å²	135.7	81%	0.811	79%	0.786	S	S	*	*				-179.9	173.6	69	50.1	0	0	0	0	114.7
431	K	26.8	Very low	27.6	Very low	191 Å²	191	140.2 Å²	140.2	83%	0.83	79%	0.787	S	S	*	*			trans	-127.4	159.4	171.6	-71.6	-175.7	176.3	-179.6	0	109.6
432	P	35.3	Very low	27.8	Very low	126 Å²	126	142.6 Å²	142.6	82%	0.818	79%	0.792	S	S	*	*				-121.1	154.6	102.2	-0.5	21.2	0	0	0	111.5
433	K	25.9	Very low	27.8	Very low	207 Å²	207	138.2 Å²	138.2	90%	0.9	78%	0.783	S	S	*	*			cis	86.9	134.1	35.3	-141.5	-176.1	-168.7	-170.9	0	112.8
434	A	29.8	Very low	27.9	Very low	102 Å²	102	140.5 Å²	140.5	84%	0.843	80%	0.801	S	S	*	*			trans	-119.7	173.6	-165.2	0	0	0	0	0	113.5
435	S	24.3	Very low	27.7	Very low	124 Å²	124	137.7 Å²	137.7	87%	0.867	81%	0.809	S	S	*	*			trans	-139.1	174.9	169.7	61.7	0	0	0	0	111.5
436	A	28.4	Very low	27.6	Very low	85 Å²	85	132.6 Å²	132.6	70%	0.702	81%	0.807	S	S	*	*			trans	-152.6	-169.2	-174.5	0	0	0	0	0	111.8
437	T	28.4	Very low	27.6	Very low	147 Å²	147	131.3 Å²	131.3	90%	0.902	81%	0.807	S	S	*	*			trans	81.5	151.2	-174.7	78.6	0	0	0	0	114.1
438	S	26.6	Very low	27.6	Very low	114 Å²	114	134 Å²	134	80%	0.797	82%	0.82	S	S	*	*			cis	-144.5	173.8	6.2	66.8	0	0	0	0	113.6
439	E	28.2	Very low	27.6	Very low	163 Å²	163	137.4 Å²	137.4	76%	0.762	82%	0.823	S	S	*	*			trans	-79.5	163	170.8	-53	174.9	101.8	0	0	113.3
440	L	24	Very low	27.5	Very low	173 Å²	173	137.7 Å²	137.7	91%	0.906	82%	0.824	S	S	*	*				-159.9	175.2	124.1	-144.1	59.8	0	0	0	112.6
441	R	27.3	Very low	27.4	Very low	221 Å²	221	138.6 Å²	138.6	83%	0.834	83%	0.825	S	S	*	*			trans	-127.6	152	-164.3	-50.9	168.2	174	-177.7	-4.1	114.4
442	S	28.2	Very low	27.5	Very low	127 Å²	127	137.4 Å²	137.4	89%	0.888	82%	0.822	S	S	*	*			trans	177.4	156.8	136.3	52.3	0	0	0	0	110.7
443	G	26.5	Very low	27	Very low	61 Å²	61	139.7 Å²	139.7	63%	0.629	83%	0.827	S	S	*	*			cis	162	124.2	-16	0	0	0	0	0	114.2
444	T	29.6	Very low	26.9	Very low	158 Å²	158	135.5 Å²	135.5	97%	0.969	82%	0.819	S	S	*	*			trans	62.3	151.9	167.6	57.2	0	0	0	0	119.1
445	G	25.1	Very low	26.8	Very low	79 Å²	79	136.6 Å²	136.6	81%	0.814	81%	0.814	S	S	*	*			cis	170	162.6	-9.3	0	0	0	0	0	114.4
446	G	25.5	Very low	26.8	Very low	71 Å²	71	137.8 Å²	137.8	73%	0.732	81%	0.811	S	S	*	*			trans	105.9	156	169.5	0	0	0	0	0	116.9
447	T	27.9	Very low	26.7	Very low	128 Å²	128	137.2 Å²	137.2	79%	0.785	81%	0.806	S	S	*	*			cis	-176.8	132.2	-39.3	13.6	0	0	0	0	109.9
448	T	28.2	Very low	26.9	Very low	134 Å²	134	136.4 Å²	136.4	82%	0.822	80%	0.804	S	S	*	*			trans	61	158.6	161.2	47.7	0	0	0	0	117.9
449	E	26.8	Very low	26.9	Very low	189 Å²	189	137 Å²	137	88%	0.883	80%	0.802	S	S	*	*			cis	-129.9	-175	16.4	-73.5	-173.9	119.8	0	0	114.6
450	H	27.8	Very low	26.8	Very low	176 Å²	176	138.1 Å²	138.1	82%	0.815	81%	0.808	S	S	*	*			trans	-81.6	170.3	178.7	-82.3	-105.6	0	0	0	113
451	T	24.7	Very low	26.9	Very low	135 Å²	135	136.8 Å²	136.8	83%	0.828	80%	0.801	S	S	*	*				-174.2	144.8	80.5	-58.4	0	0	0	0	112.3
452	E	28.2	Very low	26.6	Very low	165 Å²	165	132.5 Å²	132.5	77%	0.771	80%	0.803	S	S	*	*			trans	-94.3	157.5	172.7	-56.8	175.9	115.5	0	0	112
453	L	24.8	Very low	26.4	Very low	174 Å²	174	132.3 Å²	132.3	91%	0.911	80%	0.797	S	S	*	*			trans	-143.3	134.7	149.1	-83.9	-174.8	0	0	0	112.6
454	V	25.2	Very low	26.6	Very low	120 Å²	120	134.5 Å²	134.5	73%	0.727	80%	0.803	S	S	*	*			trans	-106	144.6	164.5	-171.1	0	0	0	0	106.2
455	V	26.5	Very low	26.5	Very low	125 Å²	125	132.3 Å²	132.3	76%	0.758	79%	0.793	S	S	*	*				168.7	165.3	101.7	-73.2	0	0	0	0	107.5
456	D	24.6	Very low	26.5	Very low	148 Å²	148	132.9 Å²	132.9	79%	0.791	79%	0.791	S	S	*	*			cis	-150.8	-178.9	1.4	-142.7	-36.5	0	0	0	111.1
457	A	26.6	Very low	26.6	Very low	73 Å²	73	134.8 Å²	134.8	60%	0.603	80%	0.799	S	S	*	*			trans	-92.8	170.3	157.8	0	0	0	0	0	111.3
458	P	31.9	Very low	26.5	Very low	131 Å²	131	131.8 Å²	131.8	85%	0.851	79%	0.794	S	S	*	*				-149	167.1	99.8	38.5	-22.5	0	0	0	116
459	T	27.1	Very low	26.5	Very low	125 Å²	125	134.3 Å²	134.3	77%	0.767	80%	0.797	S	S	*	*			trans	-96.6	143.1	175.2	-45.2	0	0	0	0	111.5
460	Q	26.6	Very low	26.4	Very low	187 Å²	187	131.7 Å²	131.7	87%	0.874	79%	0.794	S	S	*	*			trans	-142.4	154.4	152.5	-82.5	-149.3	-7	0	0	113
461	L	25	Very low	26.4	Very low	146 Å²	146	126.7 Å²	126.7	76%	0.764	79%	0.79	S	S	*	*			trans	-96.1	156.9	172.3	-71.4	74.4	0	0	0	110.1
462	C	22.8	Very low	26.5	Very low	131 Å²	131	126 Å²	126	89%	0.885	79%	0.791	S	S	*	*			trans	-149.9	152.1	142.3	-105.2	0	0	0	0	111.1
463	T	23.8	Very low	26.4	Very low	123 Å²	123	122.9 Å²	122.9	76%	0.755	79%	0.793	S	S	*	*			trans	-134.8	146.7	-176.3	50.7	0	0	0	0	110.6
464	S	29.7	Very low	26.6	Very low	107 Å²	107	121.5 Å²	121.5	75%	0.748	79%	0.791	S	S	*	*			trans	160.8	146.9	131.7	52.7	0	0	0	0	113.8
465	S	27.1	Very low	26.5	Very low	111 Å²	111	125.5 Å²	125.5	78%	0.776	80%	0.799	S	S	*	*			trans	38.8	150	145.7	52	0	0	0	0	123.4
466	A	26.6	Very low	26.5	Very low	92 Å²	92	124.2 Å²	124.2	76%	0.76	80%	0.801	S	S	*	*			cis	-173.8	171.9	-15.1	0	0	0	0	0	110.1
467	A	27.6	Very low	26.4	Very low	110 Å²	110	126.2 Å²	126.2	91%	0.909	80%	0.803	S	S	*	*			trans	67.9	147.5	174	0	0	0	0	0	117.1
468	G	25.2	Very low	26.4	Very low	66 Å²	66	131.1 Å²	131.1	68%	0.68	81%	0.814	S	S	*	*			cis	174.6	151.5	-10.6	0	0	0	0	0	113.7
469	E	28	Very low	26.4	Very low	187 Å²	187	130.4 Å²	130.4	87%	0.874	81%	0.809	S	S	*	*			trans	64.8	155.9	163.3	-57.3	-161.4	161.2	0	0	118.5
470	T	25.8	Very low	26.4	Very low	133 Å²	133	129.4 Å²	129.4	82%	0.816	81%	0.813	S	S	*	*			cis	-154.3	170.8	-22.1	25	0	0	0	0	108.6
471	G	26.9	Very low	26.4	Very low	71 Å²	71	126.4 Å²	126.4	73%	0.732	81%	0.813	S	S	*	*			trans	126.2	56.7	168.5	0	0	0	0	0	115.7
472	S	26.6	Very low	26.6	Very low	122 Å²	122	130.9 Å²	130.9	85%	0.853	82%	0.82	S	S	*	*				76.6	113.7	95.7	-165.8	0	0	0	0	115
473	A	26.3	Very low	26.8	Very low	99 Å²	99	132.7 Å²	132.7	82%	0.818	82%	0.819	S	S	*	*			trans	-121.4	126.9	178.9	0	0	0	0	0	111.2
474	V	27.9	Very low	27	Very low	145 Å²	145	133.1 Å²	133.1	88%	0.879	82%	0.822	S	S	*	*			trans	-89.2	123.4	-178.6	-179.2	0	0	0	0	110.6
475	K	23.9	Very low	27	Very low	203 Å²	203	137 Å²	137	88%	0.883	83%	0.829	S	S	*	*			trans	-137.6	92.9	177.5	-148.9	174	-168.9	175	0	110.7
476	A	26.1	Very low	27	Very low	98 Å²	98	135.2 Å²	135.2	81%	0.81	83%	0.827	S	S	*	*			trans	-75.4	148.2	176.7	0	0	0	0	0	111.6
477	K	23.8	Very low	27.4	Very low	191 Å²	191	139.9 Å²	139.9	83%	0.83	83%	0.833	S	S	*	*			trans	-114.8	166.7	177.7	-75.4	-177.1	175.6	177.2	0	111.1
478	Q	25.1	Very low	27.5	Very low	176 Å²	176	139.6 Å²	139.6	82%	0.822	83%	0.825	S	S	*	*			trans	94.2	158.4	152.4	-56.5	-152.4	25.6	0	0	117.7
479	P	32.6	Very low	28.2	Very low	115 Å²	115	144.2 Å²	144.2	75%	0.747	83%	0.834	S	S	*	*			cis	-117.3	176.5	-10.3	16.5	6.8	0	0	0	113.2
480	A	28	Very low	28.6	Very low	104 Å²	104	140.5 Å²	140.5	86%	0.86	82%	0.824	S	S	*	*			trans	-97	142.8	160.3	0	0	0	0	0	109.6
481	S	26.6	Very low	29.4	Very low	124 Å²	124	144 Å²	144	87%	0.867	83%	0.828	S	S	*	*			trans	-137	151.2	168.3	63.7	0	0	0	0	110.9
482	R	27.2	Very low	30.2	Very low	241 Å²	241	149.5 Å²	149.5	91%	0.909	83%	0.832	S	S	*	*			trans	-96.9	129.3	-163.9	-175.4	-172.7	-165.5	175.4	3.9	109.9
483	L	27.9	Very low	31.3	Very low	168 Å²	168	145.8 Å²	145.8	88%	0.88	81%	0.813	S	S	*	*			trans	-126.4	156.4	162.7	-77.9	178.3	0	0	0	110.6
484	T	27.6	Very low	32.4	Very low	132 Å²	132	145.1 Å²	145.1	81%	0.81	81%	0.808	S	S	*	*			trans	-90.4	156	-157.5	44.4	0	0	0	0	114.1
485	E	30.4	Very low	33.7	Very low	189 Å²	189	141.9 Å²	141.9	88%	0.883	79%	0.791	S	S	*	*			trans	-61.7	135.5	170.2	-64.5	171.8	108.3	0	0	111.3
486	G	27	Very low	35	Very low	73 Å²	73	135.5 Å²	135.5	75%	0.753	77%	0.772	S	S	*	*			trans	-134.3	102.4	165.5	0	0	0	0	0	108.1	S488	G486-S488 PolarHBondContact O-N 3.49Å
487	Q	34.6	Very low	36.7	Very low	190 Å²	190	135.5 Å²	135.5	89%	0.888	76%	0.762	S	S	*	*			trans	-71.8	125.6	-179	-71	179.3	-16.8	0	0	110.8
488	S	29.3	Very low	38.6	Very low	105 Å²	105	132.1 Å²	132.1	73%	0.734	75%	0.747	S	S	*	*			trans	-147.3	95.3	162.4	64.1	0	0	0	0	110.1	G486 V490	G486-S488 PolarHBondContact O-N 3.49Å; S488-V490 PolarHBondContact O-N 2.76Å
489	D	40	Very low	40.1	Very low	162 Å²	162	130.8 Å²	130.8	87%	0.866	74%	0.735	S	S	*	*			trans	-66	109	179.8	-109.5	-62.7	0	0	0	111.8
490	V	36.5	Very low	41.4	Very low	110 Å²	110	133.7 Å²	133.7	67%	0.667	74%	0.736	S	S	*	*			trans	-129.9	105.7	170.3	-176.6	0	0	0	0	109.9	S488 K492	S488-V490 PolarHBondContact O-N 2.76Å; V490-K492 PolarHBondContact O-N 3.26Å
491	K	42.9	Very low	43	Very low	206 Å²	206	132.1 Å²	132.1	90%	0.896	72%	0.718	S	S	*	*			trans	-64	89.7	-175.1	-65.9	175.9	179.1	175.1	0	112.9
492	K	44.7	Very low	44.8	Very low	186 Å²	186	129.7 Å²	129.7	81%	0.809	70%	0.698	S	S	*	*			trans	-133.3	41	170.8	-74.6	-169.7	175.7	178.6	0	114	V490	V490-K492 PolarHBondContact O-N 3.26Å
493	G	48.2	Very low	46.6	Very low	45 Å²	45	123.5 Å²	123.5	46%	0.464	68%	0.683	S	S	.	*	S	Bend	trans	-104.3	-37.6	177.8	0	0	0	0	0	116.3	S496	G493-S496 PolarHBondContact O-OG 3.42Å
494	A	49	Very low	48.4	Very low	85 Å²	85	123.3 Å²	123.3	70%	0.702	68%	0.677	S	S	*	*	H	α-helix	trans	-68.6	-43.5	-162.7	0	0	0	0	0	115.1	F498	A494-F498 WeakPolarHBondContact O-CB 3.17Å; A494-F498 PolarHBondContact O-N 3.38Å
495	S	55.6	Low	50.1	Low	77 Å²	77	119.7 Å²	119.7	54%	0.538	67%	0.666	S	S	.	*	H	α-helix	trans	-73.1	-35.4	-171.1	56.6	0	0	0	0	113.9	V497 F498 W499	S495-V497 VanDerWaalsContact C-N 3.34Å; S495-F498 PolarHBondContact O-N 3.08Å; S495-W499 PolarHBondContact O-N 3.23Å
496	S	52	Low	52	Low	69 Å²	69	116.6 Å²	116.6	48%	0.483	66%	0.662	S	S	.	*	H	α-helix	trans	-72.6	-27.8	-179.9	58.7	0	0	0	0	112.9	G493 K500	G493-S496 PolarHBondContact O-OG 3.42Å; S496-K500 WeakPolarHBondContact O-CG 3.4Å
497	V	60.7	Low	54.4	Low	98 Å²	98	118.5 Å²	118.5	59%	0.594	66%	0.661	S	S	*	*	H	α-helix	trans	-75.3	-46.7	170.1	-179.3	0	0	0	0	110.1	S495 W499 K500 S501	S495-V497 VanDerWaalsContact C-N 3.34Å; V497-W499 PolarHBondContact O-N 3.22Å; V497-K500 WeakPolarHBondContact O-CB 3.46Å; V497-K500 PolarHBondContact O-N 3.47Å; V497-S501 PolarHBondContact O-N 2.94Å; V497-S501 PolarHBondContact O-OG 3.48Å
498	F	65.4	Low	56.7	Low	119 Å²	119	115.5 Å²	115.5	52%	0.522	66%	0.658	S	S	.	*	H	α-helix	trans	-57.4	-46.9	178.4	-178.2	-100.6	0	0	0	112.9	A494 S495 K500 S501 V502	A494-F498 WeakPolarHBondContact O-CB 3.17Å; A494-F498 PolarHBondContact O-N 3.38Å; S495-F498 PolarHBondContact O-N 3.08Å; F498-K500 VanDerWaalsContact C-N 3.27Å; F498-K500 PolarHBondContact O-N 3.11Å; F498-S501 WeakPolarHBondContact CA-OG 3.08Å; F498-S501 PolarHBondContact O-N 2.62Å; F498-S501 VanDerWaalsContact O-N 3.16Å; F498-S501 PolarHBondContact O-OG 3.13Å; F498-V502 HydrophobicContact CD1-CG2 4.19Å; F498-V502 HydrophobicContact CD2-CG2 4.12Å; F498-V502 HydrophobicContact CE1-CG2 3.87Å; F498-V502 HydrophobicContact CE2-CG2 3.79Å; F498-V502 HydrophobicContact CG-CG2 4.32Å; F498-V502 HydrophobicContact CZ-CG2 3.67Å; F498-V502 WeakPolarHBondContact O-CB 3.36Å; F498-V502 WeakPolarHBondContact O-CG2 3.45Å; F498-V502 PolarHBondContact O-N 2.9Å
499	W	56.5	Low	59.5	Low	148 Å²	148	112.1 Å²	112.1	56%	0.561	64%	0.636	S	S	*	*	H	α-helix	trans	-64	-31.4	176.5	-74.9	118.6	0	0	0	112.8	S495 V497 L503	S495-W499 PolarHBondContact O-N 3.23Å; V497-W499 PolarHBondContact O-N 3.22Å; W499-L503 HydrophobicContact CE3-CD1 3.75Å; W499-L503 HydrophobicContact CE3-CG 3.99Å; W499-L503 HydrophobicContact CZ3-CD1 4.26Å; W499-L503 HydrophobicContact CZ3-CG 4.45Å; W499-L503 VanDerWaalsContact O-CB 3.3Å; W499-L503 WeakPolarHBondContact O-CB 3.41Å; W499-L503 PolarHBondContact O-N 2.92Å
500	K	58.4	Low	62.1	Low	176 Å²	176	106 Å²	106	77%	0.765	61%	0.606	S	S	*	*	H	α-helix	trans	-74.2	-27.4	173.4	-76.9	-179.8	176.1	-174.8	0	113.9	S496 V497 F498	S496-K500 WeakPolarHBondContact O-CG 3.4Å; V497-K500 WeakPolarHBondContact O-CB 3.46Å; V497-K500 PolarHBondContact O-N 3.47Å; F498-K500 VanDerWaalsContact C-N 3.27Å; F498-K500 PolarHBondContact O-N 3.11Å
501	S	62.8	Low	64.9	Low	71 Å²	71	104 Å²	104	50%	0.497	60%	0.596	S	S	.	*	H	α-helix	trans	-85.9	-25.1	175.1	55.8	0	0	0	0	113.6	V497 F498 H504	V497-S501 PolarHBondContact O-N 2.94Å; V497-S501 PolarHBondContact O-OG 3.48Å; F498-S501 WeakPolarHBondContact CA-OG 3.08Å; F498-S501 PolarHBondContact O-N 2.62Å; F498-S501 VanDerWaalsContact O-N 3.16Å; F498-S501 PolarHBondContact O-OG 3.13Å; S501-H504 PolarHBondContact O-CE1 3.36Å
502	V	64.5	Low	67.4	Low	73 Å²	73	94.3 Å²	94.3	44%	0.442	55%	0.554	S	S	.	*	H	α-helix	trans	-89	-46.5	179	172.7	0	0	0	0	111.4	F498 H504	F498-V502 HydrophobicContact CD1-CG2 4.19Å; F498-V502 HydrophobicContact CD2-CG2 4.12Å; F498-V502 HydrophobicContact CE1-CG2 3.87Å; F498-V502 HydrophobicContact CE2-CG2 3.79Å; F498-V502 HydrophobicContact CG-CG2 4.32Å; F498-V502 HydrophobicContact CZ-CG2 3.67Å; F498-V502 WeakPolarHBondContact O-CB 3.36Å; F498-V502 WeakPolarHBondContact O-CG2 3.45Å; F498-V502 PolarHBondContact O-N 2.9Å; V502-H504 PolarHBondContact O-N 2.94Å; V502-H504 VanDerWaalsContact O-N 3.14Å
503	L	64.9	Low	69.6	Low	112 Å²	112	94.2 Å²	94.2	59%	0.586	55%	0.554	S	S	*	*			trans	-88.2	82.1	177.5	-59.1	175.7	0	0	0	110.2	W499 G505	W499-L503 HydrophobicContact CE3-CD1 3.75Å; W499-L503 HydrophobicContact CE3-CG 3.99Å; W499-L503 HydrophobicContact CZ3-CD1 4.26Å; W499-L503 HydrophobicContact CZ3-CG 4.45Å; W499-L503 VanDerWaalsContact O-CB 3.3Å; W499-L503 WeakPolarHBondContact O-CB 3.41Å; W499-L503 PolarHBondContact O-N 2.92Å; L503-G505 PolarHBondContact O-N 2.94Å
504	H	65.4	Low	71.7	Confident	164 Å²	164	96.7 Å²	96.7	76%	0.759	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-55.9	121.5	156.9	-68.5	75.7	0	0	0	107.6	S501 V502	S501-H504 PolarHBondContact O-CE1 3.36Å; V502-H504 PolarHBondContact O-N 2.94Å; V502-H504 VanDerWaalsContact O-N 3.14Å
505	G	63.8	Low	73.8	Confident	56 Å²	56	94.3 Å²	94.3	58%	0.577	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-60	161.6	175.3	0	0	0	0	0	111.2	L503	L503-G505 PolarHBondContact O-N 2.94Å
506	P	70.4	Confident	75.7	Confident	124 Å²	124	100.5 Å²	100.5	81%	0.805	55%	0.545	S	S	*	.	S	Bend	trans	-52.7	140.2	172	25	-34.2	0	0	0	109.5
507	P	77.7	Confident	77.7	Confident	112 Å²	112	100.5 Å²	100.5	73%	0.727	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-56	143.1	-173.2	22.2	-33.5	0	0	0	110.8	A509	P507-A509 PolarHBondContact O-N 3.33Å
508	P	81.4	Confident	79.3	Confident	127 Å²	127	100.1 Å²	100.1	83%	0.825	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-57.6	133.7	-176	24.6	-34.3	0	0	0	110.1
509	A	89.6	Confident	80.7	Confident	34 Å²	34	94.8 Å²	94.8	28%	0.281	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-58.8	136	-177.9	0	0	0	0	0	110.5	P507 C511 C519 F536	P507-A509 PolarHBondContact O-N 3.33Å; A509-C511 PolarHBondContact O-N 2.77Å; A509-C519 VanDerWaalsContact CB-O 3.29Å; A509-C519 WeakPolarHBondContact CB-O 3.49Å; A509-F536 HydrophobicContact CB-CD1 4.19Å; A509-F536 HydrophobicContact CB-CE1 3.75Å; A509-F536 HydrophobicContact CB-CZ 4.49Å
510	P	94	Very high	82.4	Confident	34 Å²	34	90.5 Å²	90.5	22%	0.221	51%	0.505	C	S	.	.	P	Polyproline II helix	trans	-60	141.8	-178.9	26.6	-35.3	0	0	0	110.1	C519 F536 F554 M556	P510-C519 WeakPolarHBondContact O-CB 3.41Å; P510-C519 PolarHBondContact O-N 2.87Å; P510-C519 PolarHBondContact O-SG 3.01Å; P510-F536 HydrophobicContact CG-CB 3.92Å; P510-F536 HydrophobicContact CG-CD1 4.17Å; P510-F536 HydrophobicContact CG-CD2 3.5Å; P510-F536 HydrophobicContact CG-CE2 3.96Å; P510-F536 HydrophobicContact CG-CG 3.61Å; P510-F536 HydrophobicContact CG-CZ 4.48Å; P510-F554 HydrophobicContact CB-CZ 4.26Å; P510-F554 HydrophobicContact CG-CE1 4.42Å; P510-F554 HydrophobicContact CG-CZ 4.4Å; P510-M556 HydrophobicContact CB-SD 4.01Å; P510-M556 HydrophobicContact CG-SD 3.8Å
511	C	95.6	Very high	84	Confident	68 Å²	68	85.9 Å²	85.9	46%	0.459	49%	0.488	S	S	.	.	B	Isolated β-bridge	trans	-78	143.1	175.6	-67.7	0	0	0	0	110.7	A509 E517	A509-C511 PolarHBondContact O-N 2.77Å; C511-E517 CarbonylContact C-O 3.58Å; C511-E517 VanDerWaalsContact CA-O 3.24Å; C511-E517 WeakPolarHBondContact CA-O 3.32Å
512	C	93.9	Very high	85.4	Confident	2 Å²	2	87.6 Å²	87.6	1%	0.014	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-69.5	147.1	177.3	68.1	0	0	0	0	111.1	V514 H515 R516 E517 C519 C538 F554	C512-V514 VanDerWaalsContact C-N 3.29Å; C512-V514 PolarHBondContact O-N 2.71Å; C512-H515 VanDerWaalsContact SG-CB 3.55Å; C512-H515 PolarHBondContact SG-N 2.88Å; C512-H515 VanDerWaalsContact SG-N 3.45Å; C512-R516 VanDerWaalsContact O-CA 3.25Å; C512-R516 WeakPolarHBondContact O-CA 3.23Å; C512-R516 PolarHBondContact O-N 3.45Å; C512-E517 PolarHBondContact N-O 3.21Å; C512-C519 PolarHBondContact N-SG 3.07Å; C512-C538 HydrophobicContact CB-CB 3.81Å; C512-F554 HydrophobicContact CB-CB 3.85Å; C512-F554 HydrophobicContact CB-CD1 4.29Å; C512-F554 HydrophobicContact CB-CD2 4.37Å; C512-F554 HydrophobicContact CB-CG 3.91Å
513	K	91.8	Very high	86.8	Confident	185 Å²	185	87.2 Å²	87.2	80%	0.804	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-30.4	-174.7	-75	178.7	-179.9	-176.8	0	114.4	F554	K513-F554 HydrophobicContact CB-CD2 4.33Å; K513-F554 HydrophobicContact CD-CD2 4.49Å; K513-F554 HydrophobicContact CG-CD2 3.93Å; K513-F554 HydrophobicContact CG-CE2 4.15Å
514	V	92.7	Very high	88	Confident	97 Å²	97	83.3 Å²	83.3	59%	0.588	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-64.2	-175.7	-179.3	0	0	0	0	110.8	C512 C552	C512-V514 VanDerWaalsContact C-N 3.29Å; C512-V514 PolarHBondContact O-N 2.71Å; V514-C552 HydrophobicContact CB-CB 3.76Å; V514-C552 HydrophobicContact CG1-CB 4.43Å; V514-C552 HydrophobicContact CG2-CB 3.52Å
515	H	93.6	Very high	89.2	Confident	35 Å²	35	84.6 Å²	84.6	16%	0.162	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-13.1	-172.8	-43.5	98.8	0	0	0	114.1	C512 E517 C538 R540 P548 A550	C512-H515 VanDerWaalsContact SG-CB 3.55Å; C512-H515 PolarHBondContact SG-N 2.88Å; C512-H515 VanDerWaalsContact SG-N 3.45Å; H515-E517 HydrophobicContact CB-CB 4.43Å; H515-E517 HydrophobicContact CB-CG 4.14Å; H515-E517 PolarHBondContact O-N 2.95Å; H515-C538 PolarHBondContact ND1-SG 2.96Å; H515-R540 PolarHBondContact CD2-NE 3.46Å; H515-R540 PolarHBondContact CD2-NH1 2.88Å; H515-P548 PolarHBondContact CD2-O 2.99Å; H515-P548 PolarHBondContact NE2-O 3.03Å; H515-A550 PolarHBondContact CE1-O 3.42Å; H515-A550 PolarHBondContact NE2-O 3.18Å
516	R	94.2	Very high	90.3	Very high	207 Å²	207	88.5 Å²	88.5	78%	0.781	47%	0.467	S	S	*	.			trans	59.2	22.5	-175.5	-52.7	-178.7	-177.9	-179.9	0.5	114	C512	C512-R516 VanDerWaalsContact O-CA 3.25Å; C512-R516 WeakPolarHBondContact O-CA 3.23Å; C512-R516 PolarHBondContact O-N 3.45Å
517	E	94.3	Very high	91.1	Very high	68 Å²	68	89 Å²	89	32%	0.318	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-93.9	148.3	178.7	-71.5	167.4	174.8	0	0	111.6	C511 C512 H515 C519 R540	C511-E517 CarbonylContact C-O 3.58Å; C511-E517 VanDerWaalsContact CA-O 3.24Å; C511-E517 WeakPolarHBondContact CA-O 3.32Å; C512-E517 PolarHBondContact N-O 3.21Å; H515-E517 HydrophobicContact CB-CB 4.43Å; H515-E517 HydrophobicContact CB-CG 4.14Å; H515-E517 PolarHBondContact O-N 2.95Å; E517-C519 PolarHBondContact O-N 2.88Å; E517-R540 VanDerWaalsContact CD-NE 3.34Å; E517-R540 IonicContact OE1-CZ 3.84Å; E517-R540 IonicContact OE1-NE 3.23Å; E517-R540 PolarHBondContact OE1-NE 3.19Å; E517-R540 IonicContact OE1-NH2 3.48Å; E517-R540 PolarHBondContact OE1-NH2 3.33Å; E517-R540 VanDerWaalsContact OE2-CG 3.28Å; E517-R540 WeakPolarHBondContact OE2-CG 3.4Å; E517-R540 IonicContact OE2-CZ 3.89Å; E517-R540 IonicContact OE2-NE 2.85Å; E517-R540 PolarHBondContact OE2-NE 3.3Å; E517-R540 IonicContact OE2-NH2 2.71Å
518	P	93.8	Very high	91.7	Very high	90 Å²	90	85.8 Å²	85.8	58%	0.584	45%	0.45	S	S	*	.	B	Isolated β-bridge	trans	-56.6	132	176.6	-25.3	34.7	0	0	0	113
519	C	94.7	Very high	92.1	Very high	7 Å²	7	85.5 Å²	85.5	5%	0.047	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-78.7	151.6	-179	-70.1	0	0	0	0	113.5	A509 P510 C512 E517 F536 V537 F554	A509-C519 VanDerWaalsContact CB-O 3.29Å; A509-C519 WeakPolarHBondContact CB-O 3.49Å; P510-C519 WeakPolarHBondContact O-CB 3.41Å; P510-C519 PolarHBondContact O-N 2.87Å; P510-C519 PolarHBondContact O-SG 3.01Å; C512-C519 PolarHBondContact N-SG 3.07Å; E517-C519 PolarHBondContact O-N 2.88Å; C519-F536 HydrophobicContact CB-CB 3.81Å; C519-F536 HydrophobicContact CB-CD1 4.24Å; C519-F536 HydrophobicContact CB-CG 4.41Å; C519-V537 CarbonylContact C-O 3.54Å; C519-V537 WeakPolarHBondContact CA-O 3.31Å; C519-V537 WeakPolarHBondContact CB-O 3.28Å; C519-F554 HydrophobicContact CB-CD1 4.49Å; C519-F554 HydrophobicContact CB-CE1 4.25Å; C519-F554 WeakPolarHBondContact SG-CD1 3.45Å; C519-F554 WeakPolarHBondContact SG-CE1 3.18Å
520	V	92.5	Very high	92.2	Very high	58 Å²	58	87 Å²	87	35%	0.352	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.8	175.3	174.8	0	0	0	0	109.6	R522 V537	V520-R522 HydrophobicContact CG1-CG 4.48Å; V520-V537 PolarHBondContact N-O 3.16Å; V520-V537 PolarHBondContact O-N 3.04Å; V520-V537 VanDerWaalsContact O-N 3.08Å
521	L	92.8	Very high	92.1	Very high	80 Å²	80	90.6 Å²	90.6	42%	0.419	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	130	172.2	-176.6	61.1	0	0	0	110.6	Q534 F536 V558	L521-Q534 HydrophobicContact CD1-CB 3.91Å; L521-F536 HydrophobicContact CB-CD1 4.15Å; L521-F536 HydrophobicContact CB-CE1 3.96Å; L521-F536 HydrophobicContact CD1-CD1 4.19Å; L521-F536 HydrophobicContact CD1-CE1 3.98Å; L521-F536 HydrophobicContact CD1-CZ 4.22Å; L521-F536 HydrophobicContact CG-CE1 4.47Å; L521-V558 HydrophobicContact CD1-CG2 3.49Å; L521-V558 VanDerWaalsContact CD1-CG2 3.49Å
522	R	92.2	Very high	91.9	Very high	106 Å²	106	89.8 Å²	89.8	40%	0.4	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	159.9	175.9	-60.8	-63.9	-171.8	149	5.2	109.8	V520 Q534 F535 V537	V520-R522 HydrophobicContact CG1-CG 4.48Å; R522-Q534 CarbonylContact O-C 3.53Å; R522-Q534 VanDerWaalsContact O-CA 3.23Å; R522-Q534 WeakPolarHBondContact O-CA 3.38Å; R522-F535 HydrophobicContact CB-CD1 4.45Å; R522-F535 HydrophobicContact CB-CD2 4.26Å; R522-F535 HydrophobicContact CB-CE1 3.96Å; R522-F535 HydrophobicContact CB-CE2 3.76Å; R522-F535 HydrophobicContact CB-CZ 3.59Å; R522-F535 HydrophobicContact CG-CE2 4.36Å; R522-F535 HydrophobicContact CG-CZ 4.49Å; R522-F535 PolarHBondContact N-O 3.02Å; R522-F535 PolarHBondContact O-N 2.93Å; R522-V537 HydrophobicContact CG-CG2 3.85Å
523	T	93.2	Very high	91.9	Very high	65 Å²	65	94 Å²	94	40%	0.399	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134.9	178.2	-54.5	0	0	0	0	109	K525 K533 Q534	T523-K525 PolarHBondContact O-N 3.15Å; T523-K533 WeakPolarHBondContact CA-O 3.23Å; T523-Q534 HydrophobicContact CG2-CG 4.2Å; T523-Q534 PolarHBondContact OG1-NE2 3.04Å
524	V	91.6	Very high	92	Very high	31 Å²	31	89.1 Å²	89.1	19%	0.188	47%	0.467	C	S	.	.			trans	-68.4	120.3	177.1	-179	0	0	0	0	109.7	N530 G532 K533 F535 W557	V524-N530 VanDerWaalsContact CB-O 3.25Å; V524-N530 WeakPolarHBondContact CB-O 3.35Å; V524-N530 HydrophobicContact CG1-CB 4.4Å; V524-N530 HydrophobicContact CG2-CB 4.38Å; V524-G532 PolarHBondContact O-N 3.43Å; V524-K533 PolarHBondContact N-O 3.1Å; V524-F535 HydrophobicContact CG2-CD1 3.93Å; V524-F535 HydrophobicContact CG2-CE1 3.65Å; V524-W557 HydrophobicContact CG2-CH2 3.94Å; V524-W557 HydrophobicContact CG2-CZ3 3.96Å
525	K	90.2	Very high	92.1	Very high	190 Å²	190	86.2 Å²	86.2	83%	0.826	45%	0.447	S	S	*	.			trans	-105.1	-9.9	174.9	-67.6	-170.5	177.1	-173.3	0	114.5	T523	T523-K525 PolarHBondContact O-N 3.15Å
526	K	87.1	Confident	92.1	Very high	139 Å²	139	86.2 Å²	86.2	60%	0.604	45%	0.447	S	S	*	.	S	Bend	trans	-76.9	137.1	174.1	-177.5	157.9	-176.6	147	0	109.1	D148	D148-K526 IonicContact OD1-NZ 3.57Å; D148-K526 PolarHBondContact OD1-NZ 2.92Å; D148-K526 IonicContact OD2-NZ 3.4Å
527	D	86.6	Confident	92.2	Very high	134 Å²	134	77.6 Å²	77.6	72%	0.717	42%	0.417	S	S	*	.	S	Bend	trans	-58.3	150.3	177.1	-61.8	-65.7	0	0	0	112.2	M531	D527-M531 VanDerWaalsContact OD1-SD 3.42Å
528	G	89.8	Confident	92.2	Very high	44 Å²	44	74.4 Å²	74.4	45%	0.454	40%	0.402	S	S	.	.	S	Bend	trans	123.9	-172	179.3	0	0	0	0	0	114.1	N530 M531	G528-N530 PolarHBondContact O-N 2.9Å; G528-M531 WeakPolarHBondContact O-CB 3.25Å; G528-M531 PolarHBondContact O-N 3.41Å
529	P	91.1	Very high	92.1	Very high	121 Å²	121	71.9 Å²	71.9	79%	0.786	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-7.7	-167.3	-25.6	35.3	0	0	0	116.7	K533	P529-K533 WeakPolarHBondContact O-CE 3.43Å; P529-K533 PolarHBondContact O-NZ 3.26Å
530	N	90.9	Very high	92.1	Very high	67 Å²	67	74.5 Å²	74.5	36%	0.358	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-1	179.6	-67.9	-33.7	0	0	0	113.8	V524 G528 G532 K533 W557	V524-N530 VanDerWaalsContact CB-O 3.25Å; V524-N530 WeakPolarHBondContact CB-O 3.35Å; V524-N530 HydrophobicContact CG1-CB 4.4Å; V524-N530 HydrophobicContact CG2-CB 4.38Å; G528-N530 PolarHBondContact O-N 2.9Å; N530-G532 PolarHBondContact O-N 2.97Å; N530-K533 HydrophobicContact CB-CD 4.21Å; N530-K533 VanDerWaalsContact O-CB 3.25Å; N530-K533 WeakPolarHBondContact O-CB 3.3Å; N530-K533 WeakPolarHBondContact O-CG 3.45Å; N530-K533 PolarHBondContact O-N 3.27Å; N530-K533 WeakPolarHBondContact OD1-CD 3.49Å; N530-K533 WeakPolarHBondContact OD1-CE 3.42Å; N530-K533 PolarHBondContact OD1-NZ 3.42Å; N530-W557 HydrophobicContact CB-CH2 4Å
531	M	92	Very high	92.2	Very high	109 Å²	109	72.8 Å²	72.8	54%	0.537	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	136.3	178.5	-174.2	174	63.5	0	0	111.4	D527 G528 K533	D527-M531 VanDerWaalsContact OD1-SD 3.42Å; G528-M531 WeakPolarHBondContact O-CB 3.25Å; G528-M531 PolarHBondContact O-N 3.41Å; M531-K533 PolarHBondContact O-N 2.99Å; M531-K533 VanDerWaalsContact O-N 3.15Å
532	G	91.4	Very high	92.2	Very high	50 Å²	50	71.8 Å²	71.8	52%	0.515	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	-9.1	-177.4	0	0	0	0	0	115.5	V524 N530	V524-G532 PolarHBondContact O-N 3.43Å; N530-G532 PolarHBondContact O-N 2.97Å
533	K	93.7	Very high	92.3	Very high	91 Å²	91	67.5 Å²	67.5	40%	0.396	37%	0.373	S	S	.	.			trans	-69.9	147.1	170.3	-61	-176.1	-169.2	166.8	0	110.2	T523 V524 P529 N530 M531 W557	T523-K533 WeakPolarHBondContact CA-O 3.23Å; V524-K533 PolarHBondContact N-O 3.1Å; P529-K533 WeakPolarHBondContact O-CE 3.43Å; P529-K533 PolarHBondContact O-NZ 3.26Å; N530-K533 HydrophobicContact CB-CD 4.21Å; N530-K533 VanDerWaalsContact O-CB 3.25Å; N530-K533 WeakPolarHBondContact O-CB 3.3Å; N530-K533 WeakPolarHBondContact O-CG 3.45Å; N530-K533 PolarHBondContact O-N 3.27Å; N530-K533 WeakPolarHBondContact OD1-CD 3.49Å; N530-K533 WeakPolarHBondContact OD1-CE 3.42Å; N530-K533 PolarHBondContact OD1-NZ 3.42Å; M531-K533 PolarHBondContact O-N 2.99Å; M531-K533 VanDerWaalsContact O-N 3.15Å; K533-W557 HydrophobicContact CB-CE3 4.06Å; K533-W557 HydrophobicContact CB-CH2 4.45Å; K533-W557 HydrophobicContact CB-CZ3 3.61Å; K533-W557 HydrophobicContact CD-CZ3 4.43Å
534	Q	94.6	Very high	92.1	Very high	82 Å²	82	68.5 Å²	68.5	38%	0.383	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	150	-177.8	-49.7	-167.9	-84.4	0	0	111.3	L521 R522 T523 V558	L521-Q534 HydrophobicContact CD1-CB 3.91Å; R522-Q534 CarbonylContact O-C 3.53Å; R522-Q534 VanDerWaalsContact O-CA 3.23Å; R522-Q534 WeakPolarHBondContact O-CA 3.38Å; T523-Q534 HydrophobicContact CG2-CG 4.2Å; T523-Q534 PolarHBondContact OG1-NE2 3.04Å; Q534-V558 HydrophobicContact CB-CB 4.13Å; Q534-V558 HydrophobicContact CB-CG2 3.85Å; Q534-V558 WeakPolarHBondContact O-CB 3.25Å; Q534-V558 PolarHBondContact O-N 2.71Å
535	F	94.2	Very high	91.9	Very high	36 Å²	36	71.9 Å²	71.9	16%	0.158	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	151.5	-176.7	62.1	-84.7	0	0	0	111.1	R522 V524 V537 F555 M556 W557	R522-F535 HydrophobicContact CB-CD1 4.45Å; R522-F535 HydrophobicContact CB-CD2 4.26Å; R522-F535 HydrophobicContact CB-CE1 3.96Å; R522-F535 HydrophobicContact CB-CE2 3.76Å; R522-F535 HydrophobicContact CB-CZ 3.59Å; R522-F535 HydrophobicContact CG-CE2 4.36Å; R522-F535 HydrophobicContact CG-CZ 4.49Å; R522-F535 PolarHBondContact N-O 3.02Å; R522-F535 PolarHBondContact O-N 2.93Å; V524-F535 HydrophobicContact CG2-CD1 3.93Å; V524-F535 HydrophobicContact CG2-CE1 3.65Å; F535-V537 HydrophobicContact CD2-CG1 3.84Å; F535-V537 HydrophobicContact CE2-CG1 3.76Å; F535-F555 HydrophobicContact CB-CE2 3.83Å; F535-F555 HydrophobicContact CB-CZ 3.84Å; F535-F555 HydrophobicContact CD1-CE2 4.4Å; F535-F555 AromaticContact CD2-CD2 3.72Å; F535-F555 HydrophobicContact CD2-CD2 3.72Å; F535-F555 AromaticContact CD2-CE2 3.26Å; F535-F555 HydrophobicContact CD2-CE2 3.26Å; F535-F555 HydrophobicContact CD2-CZ 4.14Å; F535-F555 HydrophobicContact CE2-CD2 4.25Å; F535-F555 AromaticContact CE2-CE2 3.84Å; F535-F555 HydrophobicContact CE2-CE2 3.84Å; F535-F555 HydrophobicContact CG-CD2 4.41Å; F535-F555 AromaticContact CG-CE2 3.59Å; F535-F555 HydrophobicContact CG-CE2 3.59Å; F535-F555 HydrophobicContact CG-CZ 4.02Å; F535-M556 CarbonylContact C-O 3.46Å; F535-M556 VanDerWaalsContact CA-O 3.23Å; F535-M556 WeakPolarHBondContact CA-O 3.47Å; F535-M556 WeakPolarHBondContact CB-O 3.43Å; F535-W557 HydrophobicContact CB-CD2 4.46Å; F535-W557 HydrophobicContact CB-CE3 3.85Å; F535-W557 HydrophobicContact CB-CZ3 4.16Å; F535-W557 AromaticContact CD1-CZ3 3.99Å; F535-W557 HydrophobicContact CD1-CZ3 3.99Å; F535-W557 HydrophobicContact CG-CZ3 4.43Å
536	F	94.4	Very high	91.8	Very high	36 Å²	36	67.5 Å²	67.5	16%	0.158	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	140.2	173.8	-66.5	-73.7	0	0	0	110.9	A509 P510 C519 L521 F554 F555 M556 V558	A509-F536 HydrophobicContact CB-CD1 4.19Å; A509-F536 HydrophobicContact CB-CE1 3.75Å; A509-F536 HydrophobicContact CB-CZ 4.49Å; P510-F536 HydrophobicContact CG-CB 3.92Å; P510-F536 HydrophobicContact CG-CD1 4.17Å; P510-F536 HydrophobicContact CG-CD2 3.5Å; P510-F536 HydrophobicContact CG-CE2 3.96Å; P510-F536 HydrophobicContact CG-CG 3.61Å; P510-F536 HydrophobicContact CG-CZ 4.48Å; C519-F536 HydrophobicContact CB-CB 3.81Å; C519-F536 HydrophobicContact CB-CD1 4.24Å; C519-F536 HydrophobicContact CB-CG 4.41Å; L521-F536 HydrophobicContact CB-CD1 4.15Å; L521-F536 HydrophobicContact CB-CE1 3.96Å; L521-F536 HydrophobicContact CD1-CD1 4.19Å; L521-F536 HydrophobicContact CD1-CE1 3.98Å; L521-F536 HydrophobicContact CD1-CZ 4.22Å; L521-F536 HydrophobicContact CG-CE1 4.47Å; F536-F554 HydrophobicContact CB-CE1 4.37Å; F536-F555 WeakPolarHBondContact O-CA 3.48Å; F536-M556 HydrophobicContact CB-CB 4.45Å; F536-M556 PolarHBondContact N-O 3.35Å; F536-M556 PolarHBondContact O-N 3.22Å; F536-V558 HydrophobicContact CD2-CG2 4.03Å; F536-V558 HydrophobicContact CE2-CG2 3.71Å; F536-V558 HydrophobicContact CZ-CG2 4.25Å
537	V	94.3	Very high	92	Very high	25 Å²	25	63.1 Å²	63.1	15%	0.152	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	156.7	169.1	-73.3	0	0	0	0	111.1	C519 V520 R522 F535 G539 F554 F555	C519-V537 CarbonylContact C-O 3.54Å; C519-V537 WeakPolarHBondContact CA-O 3.31Å; C519-V537 WeakPolarHBondContact CB-O 3.28Å; V520-V537 PolarHBondContact N-O 3.16Å; V520-V537 PolarHBondContact O-N 3.04Å; V520-V537 VanDerWaalsContact O-N 3.08Å; R522-V537 HydrophobicContact CG-CG2 3.85Å; F535-V537 HydrophobicContact CD2-CG1 3.84Å; F535-V537 HydrophobicContact CE2-CG1 3.76Å; V537-G539 PolarHBondContact O-N 2.99Å; V537-F554 WeakPolarHBondContact CA-O 3.49Å; V537-F555 HydrophobicContact CG1-CD2 4.09Å
538	C	94.3	Very high	92.2	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.007	38%	0.378	C	S	.	.			trans	-53.9	131.8	173.7	174.1	0	0	0	0	111.3	C512 H515 R540 R551 C552 F554	C512-C538 HydrophobicContact CB-CB 3.81Å; H515-C538 PolarHBondContact ND1-SG 2.96Å; C538-R540 VanDerWaalsContact C-N 3.35Å; C538-R540 PolarHBondContact O-N 3.35Å; C538-R551 HydrophobicContact CB-CG 3.9Å; C538-R551 PolarHBondContact O-NE 3.33Å; C538-R551 VanDerWaalsContact O-NE 3.15Å; C538-C552 VanDerWaalsContact CB-SG 3.57Å; C538-F554 HydrophobicContact CB-CB 4.32Å
539	G	92.7	Very high	92.2	Very high	37 Å²	37	65.9 Å²	65.9	38%	0.381	39%	0.386	S	S	.	.			trans	-74	-20.1	-172.1	0	0	0	0	0	115.3	V537	V537-G539 PolarHBondContact O-N 2.99Å
540	R	94.1	Very high	92.4	Very high	63 Å²	63	60.4 Å²	60.4	24%	0.238	35%	0.351	C	S	.	.	S	Bend	trans	-57.5	156.5	-179.6	-71.9	-169.5	176.1	-152.2	-12.8	112.9	H515 E517 C538 P548 E549 R551	H515-R540 PolarHBondContact CD2-NE 3.46Å; H515-R540 PolarHBondContact CD2-NH1 2.88Å; E517-R540 VanDerWaalsContact CD-NE 3.34Å; E517-R540 IonicContact OE1-CZ 3.84Å; E517-R540 IonicContact OE1-NE 3.23Å; E517-R540 PolarHBondContact OE1-NE 3.19Å; E517-R540 IonicContact OE1-NH2 3.48Å; E517-R540 PolarHBondContact OE1-NH2 3.33Å; E517-R540 VanDerWaalsContact OE2-CG 3.28Å; E517-R540 WeakPolarHBondContact OE2-CG 3.4Å; E517-R540 IonicContact OE2-CZ 3.89Å; E517-R540 IonicContact OE2-NE 2.85Å; E517-R540 PolarHBondContact OE2-NE 3.3Å; E517-R540 IonicContact OE2-NH2 2.71Å; C538-R540 VanDerWaalsContact C-N 3.35Å; C538-R540 PolarHBondContact O-N 3.35Å; R540-P548 PolarHBondContact NH1-O 3.19Å; R540-P548 VanDerWaalsContact NH1-O 3.15Å; R540-E549 WeakPolarHBondContact CD-O 3.39Å; R540-R551 VanDerWaalsContact O-CZ 3.28Å; R540-R551 PolarHBondContact O-NE 3.3Å; R540-R551 PolarHBondContact O-NH2 2.75Å
541	P	94.2	Very high	92.4	Very high	22 Å²	22	60.2 Å²	60.2	14%	0.143	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-58.5	149.3	173.8	24.9	-36.5	0	0	0	112.4	T263 G264 Q267 T268 A550 R551	T263-P541 CarbonylContact O-C 3.58Å; T263-P541 WeakPolarHBondContact O-CA 3.49Å; G264-P541 WeakPolarHBondContact O-CB 3.37Å; Q267-P541 HydrophobicContact CB-CB 4.06Å; Q267-P541 HydrophobicContact CB-CG 4.01Å; T268-P541 HydrophobicContact CG2-CB 3.91Å; T268-P541 HydrophobicContact CG2-CG 3.6Å; P541-A550 CarbonylContact O-C 3.51Å; P541-A550 WeakPolarHBondContact O-CA 3.42Å; P541-R551 WeakPolarHBondContact O-CB 3.31Å; P541-R551 PolarHBondContact O-N 3.47Å
542	Q	94.1	Very high	92.5	Very high	59 Å²	59	55.9 Å²	55.9	28%	0.276	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-61	143.3	167.6	175.8	174.4	6.9	0	0	109.6	T263 A265 T268 Y270	T263-Q542 VanDerWaalsContact CB-OE1 3.25Å; T263-Q542 PolarHBondContact O-N 2.93Å; T263-Q542 PolarHBondContact OG1-OE1 3.44Å; A265-Q542 HydrophobicContact CB-CB 4.47Å; T268-Q542 WeakPolarHBondContact CB-O 3.36Å; T268-Q542 WeakPolarHBondContact CG2-O 3.43Å; T268-Q542 PolarHBondContact OG1-O 3.45Å; Y270-Q542 HydrophobicContact CD1-CG 3.78Å; Y270-Q542 HydrophobicContact CE1-CG 3.8Å; Y270-Q542 HydrophobicContact CG-CG 4.35Å
543	G	92.9	Very high	92.5	Very high	15 Å²	15	61.8 Å²	61.8	16%	0.155	35%	0.345	C	S	.	.			trans	-163.3	171.9	179	0	0	0	0	0	111.3	Y270	Y270-G543 VanDerWaalsContact CD2-C 3.42Å
544	H	90.1	Very high	92.5	Very high	86 Å²	86	58.5 Å²	58.5	40%	0.398	33%	0.331	S	S	.	.			trans	-62.6	147.6	178.1	-178.4	-99.6	0	0	0	110.9	Y270 S546 N547	Y270-H544 HydrophobicContact CD2-CB 4.35Å; Y270-H544 VanDerWaalsContact CD2-N 3.31Å; H544-S546 PolarHBondContact CE1-OG 3.14Å; H544-S546 PolarHBondContact ND1-N 3.16Å; H544-S546 PolarHBondContact ND1-OG 3.3Å; H544-S546 PolarHBondContact O-N 3.23Å; H544-S546 VanDerWaalsContact O-N 3.08Å; H544-N547 WeakPolarHBondContact O-CB 3.38Å; H544-N547 PolarHBondContact O-N 3.41Å
545	A	86.4	Confident	92.4	Very high	103 Å²	103	59.5 Å²	59.5	85%	0.851	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.3	-170.3	0	0	0	0	0	114.7
546	S	88.6	Confident	92.4	Very high	97 Å²	97	61.9 Å²	61.9	68%	0.678	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-10.7	175	65.7	0	0	0	0	114.8	H544 P548	H544-S546 PolarHBondContact CE1-OG 3.14Å; H544-S546 PolarHBondContact ND1-N 3.16Å; H544-S546 PolarHBondContact ND1-OG 3.3Å; H544-S546 PolarHBondContact O-N 3.23Å; H544-S546 VanDerWaalsContact O-N 3.08Å; S546-P548 WeakPolarHBondContact O-CD 3.45Å
547	N	90.9	Very high	92.4	Very high	48 Å²	48	65.1 Å²	65.1	26%	0.257	36%	0.358	S	S	.	.			trans	-85.1	114.4	-178.6	-178.3	-15.4	0	0	0	110.2	H544 E549 A550	H544-N547 WeakPolarHBondContact O-CB 3.38Å; H544-N547 PolarHBondContact O-N 3.41Å; N547-E549 PolarHBondContact O-N 3.14Å; N547-E549 WeakPolarHBondContact OD1-CA 3.23Å; N547-E549 WeakPolarHBondContact OD1-CB 3.39Å; N547-E549 PolarHBondContact OD1-N 3.01Å; N547-A550 HydrophobicContact CB-CB 4.11Å; N547-A550 VanDerWaalsContact O-CB 3.24Å; N547-A550 WeakPolarHBondContact O-CB 3.49Å; N547-A550 PolarHBondContact O-N 3.36Å
548	P	90.9	Very high	92.3	Very high	101 Å²	101	66.4 Å²	66.4	66%	0.656	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.8	-179.5	29.7	-36.2	0	0	0	113.4	H515 R540 S546 A550	H515-P548 PolarHBondContact CD2-O 2.99Å; H515-P548 PolarHBondContact NE2-O 3.03Å; R540-P548 PolarHBondContact NH1-O 3.19Å; R540-P548 VanDerWaalsContact NH1-O 3.15Å; S546-P548 WeakPolarHBondContact O-CD 3.45Å; P548-A550 VanDerWaalsContact C-N 3.34Å
549	E	91.3	Very high	91.7	Very high	134 Å²	134	74.9 Å²	74.9	63%	0.626	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-9	175	-52.9	-164.2	136.3	0	0	113.1	R540 N547	R540-E549 WeakPolarHBondContact CD-O 3.39Å; N547-E549 PolarHBondContact O-N 3.14Å; N547-E549 WeakPolarHBondContact OD1-CA 3.23Å; N547-E549 WeakPolarHBondContact OD1-CB 3.39Å; N547-E549 PolarHBondContact OD1-N 3.01Å
550	A	93.6	Very high	90.4	Very high	6 Å²	6	82.2 Å²	82.2	5%	0.05	43%	0.427	C	S	.	.	S	Bend	trans	-74.6	161.1	174.1	0	0	0	0	0	113.3	H515 P541 N547 P548 C552	H515-A550 PolarHBondContact CE1-O 3.42Å; H515-A550 PolarHBondContact NE2-O 3.18Å; P541-A550 CarbonylContact O-C 3.51Å; P541-A550 WeakPolarHBondContact O-CA 3.42Å; N547-A550 HydrophobicContact CB-CB 4.11Å; N547-A550 VanDerWaalsContact O-CB 3.24Å; N547-A550 WeakPolarHBondContact O-CB 3.49Å; N547-A550 PolarHBondContact O-N 3.36Å; P548-A550 VanDerWaalsContact C-N 3.34Å; A550-C552 PolarHBondContact O-N 2.88Å
551	R	92.6	Very high	88.8	Confident	63 Å²	63	82.8 Å²	82.8	24%	0.238	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-59	117.1	171.7	-175.1	177.4	-62.1	130.1	17.8	111	T263 C538 R540 P541	T263-R551 PolarHBondContact O-NH2 2.69Å; C538-R551 HydrophobicContact CB-CG 3.9Å; C538-R551 PolarHBondContact O-NE 3.33Å; C538-R551 VanDerWaalsContact O-NE 3.15Å; R540-R551 VanDerWaalsContact O-CZ 3.28Å; R540-R551 PolarHBondContact O-NE 3.3Å; R540-R551 PolarHBondContact O-NH2 2.75Å; P541-R551 WeakPolarHBondContact O-CB 3.31Å; P541-R551 PolarHBondContact O-N 3.47Å
552	C	92.6	Very high	85.9	Confident	19 Å²	19	95.1 Å²	95.1	13%	0.128	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-73.8	157.7	169.2	67.1	0	0	0	0	111.6	V514 C538 A550 F554	V514-C552 HydrophobicContact CB-CB 3.76Å; V514-C552 HydrophobicContact CG1-CB 4.43Å; V514-C552 HydrophobicContact CG2-CB 3.52Å; C538-C552 VanDerWaalsContact CB-SG 3.57Å; A550-C552 PolarHBondContact O-N 2.88Å; C552-F554 PolarHBondContact O-N 3.4Å
553	N	91.7	Very high	85.5	Confident	173 Å²	173	97 Å²	97	93%	0.925	52%	0.516	S	S	*	.	S	Bend	trans	-69.2	33.3	179	-63.2	-18.8	0	0	0	114.8	F555	N553-F555 PolarHBondContact O-N 3.01Å
554	F	93.3	Very high	85.1	Confident	22 Å²	22	101.3 Å²	101.3	10%	0.096	54%	0.535	C	S	.	.			trans	-75	122.8	172	-178.2	-87.9	0	0	0	110	P510 C512 K513 C519 F536 V537 C538 C552 M556	P510-F554 HydrophobicContact CB-CZ 4.26Å; P510-F554 HydrophobicContact CG-CE1 4.42Å; P510-F554 HydrophobicContact CG-CZ 4.4Å; C512-F554 HydrophobicContact CB-CB 3.85Å; C512-F554 HydrophobicContact CB-CD1 4.29Å; C512-F554 HydrophobicContact CB-CD2 4.37Å; C512-F554 HydrophobicContact CB-CG 3.91Å; K513-F554 HydrophobicContact CB-CD2 4.33Å; K513-F554 HydrophobicContact CD-CD2 4.49Å; K513-F554 HydrophobicContact CG-CD2 3.93Å; K513-F554 HydrophobicContact CG-CE2 4.15Å; C519-F554 HydrophobicContact CB-CD1 4.49Å; C519-F554 HydrophobicContact CB-CE1 4.25Å; C519-F554 WeakPolarHBondContact SG-CD1 3.45Å; C519-F554 WeakPolarHBondContact SG-CE1 3.18Å; F536-F554 HydrophobicContact CB-CE1 4.37Å; V537-F554 WeakPolarHBondContact CA-O 3.49Å; C538-F554 HydrophobicContact CB-CB 4.32Å; C552-F554 PolarHBondContact O-N 3.4Å; F554-M556 HydrophobicContact CE1-CB 4.05Å; F554-M556 HydrophobicContact CE2-CE 4.47Å; F554-M556 HydrophobicContact CZ-CB 4.08Å; F554-M556 HydrophobicContact CZ-CE 3.95Å; F554-M556 HydrophobicContact CZ-SD 4.4Å
555	F	94.3	Very high	84.9	Confident	103 Å²	103	102.1 Å²	102.1	45%	0.452	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	139.6	174.9	177.1	-84.2	0	0	0	109.2	F535 F536 V537 N553 W557	F535-F555 HydrophobicContact CB-CE2 3.83Å; F535-F555 HydrophobicContact CB-CZ 3.84Å; F535-F555 HydrophobicContact CD1-CE2 4.4Å; F535-F555 AromaticContact CD2-CD2 3.72Å; F535-F555 HydrophobicContact CD2-CD2 3.72Å; F535-F555 AromaticContact CD2-CE2 3.26Å; F535-F555 HydrophobicContact CD2-CE2 3.26Å; F535-F555 HydrophobicContact CD2-CZ 4.14Å; F535-F555 HydrophobicContact CE2-CD2 4.25Å; F535-F555 AromaticContact CE2-CE2 3.84Å; F535-F555 HydrophobicContact CE2-CE2 3.84Å; F535-F555 HydrophobicContact CG-CD2 4.41Å; F535-F555 AromaticContact CG-CE2 3.59Å; F535-F555 HydrophobicContact CG-CE2 3.59Å; F535-F555 HydrophobicContact CG-CZ 4.02Å; F536-F555 WeakPolarHBondContact O-CA 3.48Å; V537-F555 HydrophobicContact CG1-CD2 4.09Å; N553-F555 PolarHBondContact O-N 3.01Å; F555-W557 AromaticContact CE1-CD1 3.81Å; F555-W557 HydrophobicContact CE1-CD2 4.07Å; F555-W557 AromaticContact CE1-CE2 3.79Å; F555-W557 HydrophobicContact CE1-CG 4.06Å; F555-W557 HydrophobicContact CE1-CZ2 4.35Å; F555-W557 AromaticContact CE1-NE1 3.63Å; F555-W557 AromaticContact CZ-CD2 3.88Å; F555-W557 HydrophobicContact CZ-CD2 3.88Å; F555-W557 AromaticContact CZ-CE2 3.61Å; F555-W557 HydrophobicContact CZ-CE3 4.3Å; F555-W557 HydrophobicContact CZ-CG 4.35Å; F555-W557 HydrophobicContact CZ-CH2 4.18Å; F555-W557 AromaticContact CZ-CZ2 3.79Å; F555-W557 HydrophobicContact CZ-CZ2 3.79Å; F555-W557 HydrophobicContact CZ-CZ3 4.42Å; F555-W557 AromaticContact CZ-NE1 3.96Å
556	M	93.5	Very high	84.8	Confident	86 Å²	86	102.1 Å²	102.1	42%	0.424	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	125.4	176.1	177.6	179.7	-76.6	0	0	109.6	P510 F535 F536 F554	P510-M556 HydrophobicContact CB-SD 4.01Å; P510-M556 HydrophobicContact CG-SD 3.8Å; F535-M556 CarbonylContact C-O 3.46Å; F535-M556 VanDerWaalsContact CA-O 3.23Å; F535-M556 WeakPolarHBondContact CA-O 3.47Å; F535-M556 WeakPolarHBondContact CB-O 3.43Å; F536-M556 HydrophobicContact CB-CB 4.45Å; F536-M556 PolarHBondContact N-O 3.35Å; F536-M556 PolarHBondContact O-N 3.22Å; F554-M556 HydrophobicContact CE1-CB 4.05Å; F554-M556 HydrophobicContact CE2-CE 4.47Å; F554-M556 HydrophobicContact CZ-CB 4.08Å; F554-M556 HydrophobicContact CZ-CE 3.95Å; F554-M556 HydrophobicContact CZ-SD 4.4Å
557	W	94.4	Very high	84.5	Confident	105 Å²	105	102.4 Å²	102.4	40%	0.398	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	145	171	-73	112.3	0	0	0	110.5	V524 N530 K533 F535 F555 E559	V524-W557 HydrophobicContact CG2-CH2 3.94Å; V524-W557 HydrophobicContact CG2-CZ3 3.96Å; N530-W557 HydrophobicContact CB-CH2 4Å; K533-W557 HydrophobicContact CB-CE3 4.06Å; K533-W557 HydrophobicContact CB-CH2 4.45Å; K533-W557 HydrophobicContact CB-CZ3 3.61Å; K533-W557 HydrophobicContact CD-CZ3 4.43Å; F535-W557 HydrophobicContact CB-CD2 4.46Å; F535-W557 HydrophobicContact CB-CE3 3.85Å; F535-W557 HydrophobicContact CB-CZ3 4.16Å; F535-W557 AromaticContact CD1-CZ3 3.99Å; F535-W557 HydrophobicContact CD1-CZ3 3.99Å; F535-W557 HydrophobicContact CG-CZ3 4.43Å; F555-W557 AromaticContact CE1-CD1 3.81Å; F555-W557 HydrophobicContact CE1-CD2 4.07Å; F555-W557 AromaticContact CE1-CE2 3.79Å; F555-W557 HydrophobicContact CE1-CG 4.06Å; F555-W557 HydrophobicContact CE1-CZ2 4.35Å; F555-W557 AromaticContact CE1-NE1 3.63Å; F555-W557 AromaticContact CZ-CD2 3.88Å; F555-W557 HydrophobicContact CZ-CD2 3.88Å; F555-W557 AromaticContact CZ-CE2 3.61Å; F555-W557 HydrophobicContact CZ-CE3 4.3Å; F555-W557 HydrophobicContact CZ-CG 4.35Å; F555-W557 HydrophobicContact CZ-CH2 4.18Å; F555-W557 AromaticContact CZ-CZ2 3.79Å; F555-W557 HydrophobicContact CZ-CZ2 3.79Å; F555-W557 HydrophobicContact CZ-CZ3 4.42Å; F555-W557 AromaticContact CZ-NE1 3.96Å; W557-E559 PolarHBondContact O-N 2.63Å
558	V	91.6	Very high	84.1	Confident	51 Å²	51	106 Å²	106	31%	0.309	53%	0.532	S	S	.	.			trans	-72.6	115.2	163.7	176.4	0	0	0	0	107.7	L521 Q534 F536 K560	L521-V558 HydrophobicContact CD1-CG2 3.49Å; L521-V558 VanDerWaalsContact CD1-CG2 3.49Å; Q534-V558 HydrophobicContact CB-CB 4.13Å; Q534-V558 HydrophobicContact CB-CG2 3.85Å; Q534-V558 WeakPolarHBondContact O-CB 3.25Å; Q534-V558 PolarHBondContact O-N 2.71Å; F536-V558 HydrophobicContact CD2-CG2 4.03Å; F536-V558 HydrophobicContact CE2-CG2 3.71Å; F536-V558 HydrophobicContact CZ-CG2 4.25Å; V558-K560 PolarHBondContact O-N 2.85Å
559	E	82.9	Confident	83.6	Confident	180 Å²	180	106.4 Å²	106.4	84%	0.841	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-63.1	122.7	166.6	-63.1	-171.1	175.5	0	0	108.7	W557 G561	W557-E559 PolarHBondContact O-N 2.63Å; E559-G561 PolarHBondContact O-N 2.92Å
560	K	64.4	Low	83.1	Confident	190 Å²	190	104.2 Å²	104.2	83%	0.826	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-68.3	123.7	162.3	-71.2	-171.3	175.5	-172.2	0	106.7	V558 K562	V558-K560 PolarHBondContact O-N 2.85Å; K560-K562 PolarHBondContact O-N 3Å
561	G	60.2	Low	82.2	Confident	76 Å²	76	112.4 Å²	112.4	78%	0.784	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-51.5	139.1	169.9	0	0	0	0	0	110.4	E559	E559-G561 PolarHBondContact O-N 2.92Å
562	K	34.6	Very low	81.2	Confident	281 Å²	281	116.9 Å²	116.9	100%	1.222	58%	0.582	S	S	*	*			trans	-73	0	173.8	-69.8	-178.7	176.9	176.9	0	110.9	K560	K560-K562 PolarHBondContact O-N 3Å

Retrieved 562 of 562 residues in 668.3 ms (Link to these results)

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