A0A087XD18_POEFO Loading...

Homogentisate 1,2-dioxygenase

Catalyzes the conversion of homogentisate to maleylacetoacetate.

AlphaFold DB , UniProt , Accession A0A087XD18, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 458 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.1	Very low	86.8	Confident	175 Å²	175	77.3 Å²	77.3	86%	0.862	46%	0.464	S	S	*	.				0	121.2	0	-74.9	-178.1	-106.2	0	0	107.7	G3 M173 F193	M1-G3 PolarHBondContact O-N 3.43Å; M1-M173 HydrophobicContact CE-CE 3.53Å; M1-M173 HydrophobicContact SD-CE 4.04Å; M1-F193 HydrophobicContact CE-CE1 4.28Å; M1-F193 HydrophobicContact CE-CZ 4.15Å
2	A	42.4	Very low	87.8	Confident	103 Å²	103	77.3 Å²	77.3	85%	0.851	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-56	131.2	173.1	0	0	0	0	0	109.1	L4	A2-L4 PolarHBondContact O-N 3.45Å
3	G	82.1	Confident	88.7	Confident	69 Å²	69	78.9 Å²	78.9	71%	0.711	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-59	123.1	-161.2	0	0	0	0	0	113.5	M1 K5	M1-G3 PolarHBondContact O-N 3.43Å; G3-K5 PolarHBondContact O-N 3.1Å
4	L	95.5	Very high	89.4	Confident	73 Å²	73	74.7 Å²	74.7	38%	0.382	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-53.5	138.4	168.9	-66.8	173.6	0	0	0	109.4	A2 Y6 L164 K171 M173	A2-L4 PolarHBondContact O-N 3.45Å; L4-Y6 HydrophobicContact CB-CE2 3.91Å; L4-Y6 WeakPolarHBondContact O-CE2 3.42Å; L4-L164 HydrophobicContact CD1-CD1 4.07Å; L4-K171 HydrophobicContact CD1-CB 4.36Å; L4-K171 HydrophobicContact CD2-CB 4.1Å; L4-M173 HydrophobicContact CD1-CB 4.04Å
5	K	97.4	Very high	90	Very high	164 Å²	164	74.9 Å²	74.9	71%	0.713	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-96.4	149.6	175.8	-67.8	-175.5	179.3	-178.1	0	110	G3 V231	G3-K5 PolarHBondContact O-N 3.1Å; K5-V231 HydrophobicContact CB-CG1 4.24Å; K5-V231 HydrophobicContact CB-CG2 4.18Å
6	Y	98.6	Very high	90.6	Very high	57 Å²	57	70.8 Å²	70.8	22%	0.224	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	150.2	-179.4	-58.1	-84.1	0	0	0	110.9	L4 M172 M173 L228 C229 K276	L4-Y6 HydrophobicContact CB-CE2 3.91Å; L4-Y6 WeakPolarHBondContact O-CE2 3.42Å; Y6-M172 HydrophobicContact CE1-CB 4.25Å; Y6-M172 HydrophobicContact CE1-CG 4.07Å; Y6-M173 PolarHBondContact OH-N 2.57Å; Y6-M173 VanDerWaalsContact OH-N 3.15Å; Y6-L228 HydrophobicContact CD1-CB 4.05Å; Y6-L228 HydrophobicContact CD2-CD1 4.13Å; Y6-L228 HydrophobicContact CG-CB 3.93Å; Y6-L228 HydrophobicContact CG-CD1 4.23Å; Y6-C229 CarbonylContact C-O 3.54Å; Y6-C229 WeakPolarHBondContact CA-O 3.49Å; Y6-C229 WeakPolarHBondContact CB-O 3.4Å; Y6-K276 HydrophobicContact CE1-CD 4.04Å
7	L	98.8	Very high	91.1	Very high	44 Å²	44	70.4 Å²	70.4	23%	0.23	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	151.9	162.4	-53.1	176.3	0	0	0	108.6	F14 L228 C229 V231 W268	L7-F14 HydrophobicContact CB-CD1 3.65Å; L7-F14 HydrophobicContact CB-CE1 3.53Å; L7-F14 HydrophobicContact CB-CG 4.4Å; L7-F14 HydrophobicContact CB-CZ 4.19Å; L7-F14 HydrophobicContact CD1-CB 3.86Å; L7-F14 HydrophobicContact CD1-CD1 3.71Å; L7-F14 HydrophobicContact CD1-CE1 4.46Å; L7-F14 HydrophobicContact CD1-CG 3.94Å; L7-F14 HydrophobicContact CG-CD1 4.29Å; L7-L228 CarbonylContact O-C 3.58Å; L7-L228 WeakPolarHBondContact O-CA 3.33Å; L7-C229 HydrophobicContact CB-CB 4.34Å; L7-C229 PolarHBondContact N-O 2.96Å; L7-C229 PolarHBondContact O-N 3.31Å; L7-V231 HydrophobicContact CD2-CG1 4.15Å; L7-V231 HydrophobicContact CG-CG1 4.11Å; L7-W268 HydrophobicContact CD1-CH2 4.1Å; L7-W268 HydrophobicContact CD1-CZ2 4.29Å
8	T	98.7	Very high	91.5	Very high	73 Å²	73	66.6 Å²	66.6	45%	0.448	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	145.6	-175.5	53.7	0	0	0	0	111.4	N12 F14 R225 F227 L228	T8-N12 PolarHBondContact O-ND2 3.47Å; T8-N12 VanDerWaalsContact O-ND2 3.08Å; T8-F14 WeakPolarHBondContact O-CE1 3.41Å; T8-R225 WeakPolarHBondContact CB-O 3.49Å; T8-F227 WeakPolarHBondContact CA-O 3.27Å; T8-L228 HydrophobicContact CG2-CD2 3.41Å; T8-L228 VanDerWaalsContact CG2-CD2 3.41Å
9	G	98.7	Very high	91.8	Very high	8 Å²	8	69.2 Å²	69.2	8%	0.082	41%	0.407	C	S	.	.			trans	119	108.9	172.9	0	0	0	0	0	113.8	G11 N12 F14 P224 F227	G9-G11 PolarHBondContact O-N 3.36Å; G9-N12 PolarHBondContact O-N 2.88Å; G9-F14 WeakPolarHBondContact O-CZ 3.45Å; G9-P224 CarbonylContact C-O 3.59Å; G9-P224 VanDerWaalsContact CA-O 3.27Å; G9-P224 WeakPolarHBondContact CA-O 3.13Å; G9-F227 PolarHBondContact N-O 3.15Å
10	F	98.8	Very high	92.2	Very high	44 Å²	44	72.4 Å²	72.4	19%	0.193	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	126.2	176.5	-172.1	-90.5	0	0	0	111.9	N12 F208 L210 P224 F227 Y275 L301	F10-N12 VanDerWaalsContact C-N 3.3Å; F10-N12 PolarHBondContact O-N 3.25Å; F10-F208 WeakPolarHBondContact CZ-O 3.32Å; F10-L210 HydrophobicContact CB-CD1 4.12Å; F10-L210 HydrophobicContact CD1-CD1 3.88Å; F10-L210 HydrophobicContact CD1-CG 3.87Å; F10-L210 HydrophobicContact CE1-CG 4.09Å; F10-L210 HydrophobicContact CG-CD1 4.04Å; F10-L210 HydrophobicContact CG-CG 4.11Å; F10-L210 HydrophobicContact CZ-CG 4.5Å; F10-P224 HydrophobicContact CB-CB 4.09Å; F10-P224 PolarHBondContact N-O 2.67Å; F10-F227 HydrophobicContact CB-CB 4.02Å; F10-F227 HydrophobicContact CB-CD2 3.89Å; F10-F227 HydrophobicContact CB-CG 3.92Å; F10-F227 HydrophobicContact CD2-CB 4.3Å; F10-F227 AromaticContact CD2-CD1 3.56Å; F10-F227 HydrophobicContact CD2-CD1 3.56Å; F10-F227 HydrophobicContact CD2-CD2 4.17Å; F10-F227 AromaticContact CD2-CE1 3.82Å; F10-F227 HydrophobicContact CD2-CE1 3.82Å; F10-F227 HydrophobicContact CD2-CE2 4.41Å; F10-F227 AromaticContact CD2-CG 3.75Å; F10-F227 HydrophobicContact CD2-CG 3.75Å; F10-F227 HydrophobicContact CD2-CZ 4.23Å; F10-F227 HydrophobicContact CE2-CD1 4.25Å; F10-F227 HydrophobicContact CE2-CE1 4.19Å; F10-F227 HydrophobicContact CG-CD2 4.42Å; F10-F227 HydrophobicContact CG-CG 4.31Å; F10-Y275 HydrophobicContact CD2-CE2 4.43Å; F10-Y275 HydrophobicContact CE2-CE1 4.18Å; F10-Y275 AromaticContact CE2-CE2 3.96Å; F10-Y275 HydrophobicContact CE2-CE2 3.96Å; F10-Y275 AromaticContact CE2-CZ 3.67Å; F10-L301 HydrophobicContact CE2-CD2 3.85Å; F10-L301 HydrophobicContact CZ-CD2 4.14Å
11	G	97.9	Very high	92.5	Very high	40 Å²	40	69.5 Å²	69.5	41%	0.412	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	6.6	174.6	0	0	0	0	0	116.3	G9	G9-G11 PolarHBondContact O-N 3.36Å
12	N	98.8	Very high	95	Very high	77 Å²	77	65.6 Å²	65.6	41%	0.412	38%	0.384	S	S	.	.			trans	-60.2	155.1	176.9	-81.6	-3.8	0	0	0	113	T8 G9 F10 F14 N271	T8-N12 PolarHBondContact O-ND2 3.47Å; T8-N12 VanDerWaalsContact O-ND2 3.08Å; G9-N12 PolarHBondContact O-N 2.88Å; F10-N12 VanDerWaalsContact C-N 3.3Å; F10-N12 PolarHBondContact O-N 3.25Å; N12-F14 HydrophobicContact CB-CD1 3.99Å; N12-F14 HydrophobicContact CB-CD2 4.15Å; N12-F14 HydrophobicContact CB-CE1 3.68Å; N12-F14 HydrophobicContact CB-CE2 3.86Å; N12-F14 HydrophobicContact CB-CG 4.23Å; N12-F14 HydrophobicContact CB-CZ 3.63Å; N12-F14 PolarHBondContact O-N 3.02Å; N12-N271 VanDerWaalsContact O-CA 3.24Å; N12-N271 WeakPolarHBondContact O-CA 3.21Å; N12-N271 VanDerWaalsContact O-CB 3.23Å; N12-N271 WeakPolarHBondContact O-CB 3.34Å
13	E	98.8	Very high	97.6	Very high	99 Å²	99	62.7 Å²	62.7	46%	0.463	36%	0.364	S	S	.	.			trans	-84.1	95.3	160	-74.4	-84.9	-148.8	0	0	108.1	R58 G270 N271	E13-R58 VanDerWaalsContact CD-NH1 3.29Å; E13-R58 IonicContact OE1-CZ 3.28Å; E13-R58 VanDerWaalsContact OE1-CZ 3.28Å; E13-R58 IonicContact OE1-NH1 2.88Å; E13-R58 PolarHBondContact OE1-NH1 3.22Å; E13-R58 IonicContact OE1-NH2 2.83Å; E13-R58 PolarHBondContact OE1-NH2 3.24Å; E13-R58 IonicContact OE2-CZ 3.92Å; E13-R58 IonicContact OE2-NH1 2.87Å; E13-R58 PolarHBondContact OE2-NH1 2.79Å; E13-G270 WeakPolarHBondContact OE2-CA 3.47Å; E13-N271 HydrophobicContact CG-CB 4.19Å; E13-N271 PolarHBondContact OE2-N 2.83Å
14	F	98.9	Very high	98.4	Very high	20 Å²	20	59.4 Å²	59.4	9%	0.088	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	159.8	-179.7	-68.6	-62.7	0	0	0	111.7	L7 T8 G9 N12 C229 W268 H269 G270 T273	L7-F14 HydrophobicContact CB-CD1 3.65Å; L7-F14 HydrophobicContact CB-CE1 3.53Å; L7-F14 HydrophobicContact CB-CG 4.4Å; L7-F14 HydrophobicContact CB-CZ 4.19Å; L7-F14 HydrophobicContact CD1-CB 3.86Å; L7-F14 HydrophobicContact CD1-CD1 3.71Å; L7-F14 HydrophobicContact CD1-CE1 4.46Å; L7-F14 HydrophobicContact CD1-CG 3.94Å; L7-F14 HydrophobicContact CG-CD1 4.29Å; T8-F14 WeakPolarHBondContact O-CE1 3.41Å; G9-F14 WeakPolarHBondContact O-CZ 3.45Å; N12-F14 HydrophobicContact CB-CD1 3.99Å; N12-F14 HydrophobicContact CB-CD2 4.15Å; N12-F14 HydrophobicContact CB-CE1 3.68Å; N12-F14 HydrophobicContact CB-CE2 3.86Å; N12-F14 HydrophobicContact CB-CG 4.23Å; N12-F14 HydrophobicContact CB-CZ 3.63Å; N12-F14 PolarHBondContact O-N 3.02Å; F14-C229 HydrophobicContact CD2-CB 4.15Å; F14-C229 HydrophobicContact CE2-CB 3.72Å; F14-C229 HydrophobicContact CZ-CB 4.06Å; F14-W268 HydrophobicContact CB-CH2 3.51Å; F14-W268 HydrophobicContact CB-CZ3 3.51Å; F14-W268 HydrophobicContact CD2-CH2 4.35Å; F14-W268 HydrophobicContact CG-CH2 4.2Å; F14-H269 CarbonylContact O-C 3.56Å; F14-H269 WeakPolarHBondContact O-CA 3.5Å; F14-H269 VanDerWaalsContact O-CB 3.29Å; F14-H269 WeakPolarHBondContact O-CB 3.45Å; F14-G270 PolarHBondContact N-O 3.27Å; F14-G270 PolarHBondContact O-N 3.27Å; F14-T273 HydrophobicContact CD2-CG2 4.21Å
15	S	98.9	Very high	98.6	Very high	77 Å²	77	57.4 Å²	57.4	54%	0.538	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	129.8	167.7	-65.1	0	0	0	0	107.7	H269	S15-H269 WeakPolarHBondContact OG-CB 3.3Å
16	S	98.9	Very high	98.7	Very high	9 Å²	9	50.5 Å²	50.5	6%	0.063	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	133.5	179.7	-164.2	0	0	0	0	111	A232 A267 W268	S16-A232 WeakPolarHBondContact OG-CB 3.49Å; S16-A232 PolarHBondContact OG-N 3.24Å; S16-A267 CarbonylContact O-C 3.54Å; S16-A267 VanDerWaalsContact O-CA 3.29Å; S16-A267 WeakPolarHBondContact O-CA 3.11Å; S16-A267 WeakPolarHBondContact O-CB 3.5Å; S16-W268 PolarHBondContact N-O 2.94Å; S16-W268 PolarHBondContact O-N 2.79Å
17	E	98.9	Very high	98.7	Very high	64 Å²	64	56.7 Å²	56.7	30%	0.299	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.8	172.1	-65.4	-178.7	166.1	0	0	108.6	G23 S24 L25 A267	E17-G23 WeakPolarHBondContact OE1-CA 3.16Å; E17-G23 PolarHBondContact OE2-N 2.78Å; E17-S24 WeakPolarHBondContact CB-OG 3.5Å; E17-S24 WeakPolarHBondContact CG-OG 3.29Å; E17-S24 PolarHBondContact OE1-N 2.84Å; E17-S24 VanDerWaalsContact OE1-N 3.15Å; E17-L25 HydrophobicContact CG-CB 4.35Å; E17-L25 HydrophobicContact CG-CD1 3.91Å; E17-L25 HydrophobicContact CG-CG 3.67Å; E17-L25 VanDerWaalsContact OE1-CB 3.26Å; E17-L25 WeakPolarHBondContact OE1-CB 3.37Å; E17-L25 PolarHBondContact OE1-N 3.49Å; E17-A267 HydrophobicContact CB-CB 4.37Å; E17-A267 HydrophobicContact CG-CB 3.96Å
18	D	98.8	Very high	98.6	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.011	35%	0.354	C	S	.	.			trans	-62.5	129.3	168.2	-171.2	-66.3	0	0	0	108.8	R20 C21 W233 Y234 V266	D18-R20 PolarHBondContact O-N 2.82Å; D18-R20 VanDerWaalsContact OD1-CB 3.25Å; D18-R20 WeakPolarHBondContact OD1-CB 3.47Å; D18-R20 WeakPolarHBondContact OD1-CG 3.2Å; D18-R20 IonicContact OD1-CZ 3.1Å; D18-R20 PolarHBondContact OD1-N 3.15Å; D18-R20 IonicContact OD1-NE 3.9Å; D18-R20 PolarHBondContact OD1-NE 3.43Å; D18-R20 IonicContact OD1-NH2 2.64Å; D18-R20 IonicContact OD2-CZ 3.74Å; D18-R20 IonicContact OD2-NE 3.46Å; D18-R20 PolarHBondContact OD2-NE 2.99Å; D18-R20 IonicContact OD2-NH2 2.98Å; D18-R20 PolarHBondContact OD2-NH2 3.13Å; D18-C21 CarbonylContact O-C 3.49Å; D18-C21 PolarHBondContact O-N 3.17Å; D18-W233 WeakPolarHBondContact OD2-CA 3.48Å; D18-Y234 HydrophobicContact CB-CD1 3.89Å; D18-Y234 HydrophobicContact CB-CE1 4.18Å; D18-Y234 WeakPolarHBondContact OD2-CD1 3.18Å; D18-Y234 PolarHBondContact OD2-N 3.02Å; D18-V266 HydrophobicContact CB-CG1 4.41Å; D18-V266 VanDerWaalsContact CB-O 3.28Å; D18-V266 WeakPolarHBondContact CB-O 3.26Å; D18-V266 PolarHBondContact N-O 3.16Å
19	P	98.1	Very high	98.6	Very high	116 Å²	116	60.2 Å²	60.2	75%	0.753	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-14.4	-174.2	25.4	-36.2	0	0	0	114	C21	P19-C21 VanDerWaalsContact C-N 3.28Å
20	R	98.6	Very high	98.6	Very high	133 Å²	133	62.7 Å²	62.7	50%	0.502	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-15.1	174.7	-61.6	170.5	-73.9	173.2	-1.5	112.8	D18 Y234	D18-R20 PolarHBondContact O-N 2.82Å; D18-R20 VanDerWaalsContact OD1-CB 3.25Å; D18-R20 WeakPolarHBondContact OD1-CB 3.47Å; D18-R20 WeakPolarHBondContact OD1-CG 3.2Å; D18-R20 IonicContact OD1-CZ 3.1Å; D18-R20 PolarHBondContact OD1-N 3.15Å; D18-R20 IonicContact OD1-NE 3.9Å; D18-R20 PolarHBondContact OD1-NE 3.43Å; D18-R20 IonicContact OD1-NH2 2.64Å; D18-R20 IonicContact OD2-CZ 3.74Å; D18-R20 IonicContact OD2-NE 3.46Å; D18-R20 PolarHBondContact OD2-NE 2.99Å; D18-R20 IonicContact OD2-NH2 2.98Å; D18-R20 PolarHBondContact OD2-NH2 3.13Å; R20-Y234 VanDerWaalsContact NH2-CD1 3.27Å; R20-Y234 PolarHBondContact NH2-O 2.8Å
21	C	98.6	Very high	98.6	Very high	13 Å²	13	64.1 Å²	64.1	9%	0.088	38%	0.383	C	S	.	.	S	Bend	trans	-133.9	65.3	-175.5	-59.3	0	0	0	0	111.2	D18 P19 S24 Y37 V266	D18-C21 CarbonylContact O-C 3.49Å; D18-C21 PolarHBondContact O-N 3.17Å; P19-C21 VanDerWaalsContact C-N 3.28Å; C21-S24 WeakPolarHBondContact O-CB 3.48Å; C21-S24 PolarHBondContact O-N 2.9Å; C21-S24 PolarHBondContact O-OG 2.9Å; C21-Y37 VanDerWaalsContact C-OH 3.31Å; C21-Y37 WeakPolarHBondContact CA-OH 3.48Å; C21-Y37 HydrophobicContact CB-CD2 4.38Å; C21-Y37 HydrophobicContact CB-CE1 4.28Å; C21-Y37 HydrophobicContact CB-CE2 3.94Å; C21-V266 HydrophobicContact CB-CG1 3.45Å; C21-V266 VanDerWaalsContact CB-CG1 3.45Å
22	P	98.5	Very high	98.7	Very high	92 Å²	92	63.5 Å²	63.5	60%	0.597	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	137.9	-178.6	27.6	-36	0	0	0	112.4	Y37	P22-Y37 WeakPolarHBondContact CD-OH 3.29Å; P22-Y37 PolarHBondContact O-OH 2.65Å
23	G	98.5	Very high	98.6	Very high	42 Å²	42	69.3 Å²	69.3	43%	0.433	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	28.3	-176.2	0	0	0	0	0	113	E17 P36	E17-G23 WeakPolarHBondContact OE1-CA 3.16Å; E17-G23 PolarHBondContact OE2-N 2.78Å; G23-P36 VanDerWaalsContact O-CB 3.27Å; G23-P36 WeakPolarHBondContact O-CB 3.1Å
24	S	98.8	Very high	98.6	Very high	0 Å²	0	70 Å²	70	0%	0	41%	0.407	C	S	.	.			trans	-79.5	-18.4	177.9	38.8	0	0	0	0	113.4	E17 C21 A267	E17-S24 WeakPolarHBondContact CB-OG 3.5Å; E17-S24 WeakPolarHBondContact CG-OG 3.29Å; E17-S24 PolarHBondContact OE1-N 2.84Å; E17-S24 VanDerWaalsContact OE1-N 3.15Å; C21-S24 WeakPolarHBondContact O-CB 3.48Å; C21-S24 PolarHBondContact O-N 2.9Å; C21-S24 PolarHBondContact O-OG 2.9Å; S24-A267 WeakPolarHBondContact OG-CB 3.39Å
25	L	98.9	Very high	98.6	Very high	32 Å²	32	69.6 Å²	69.6	17%	0.168	41%	0.407	C	S	.	.	S	Bend	trans	-78.1	132	165.8	-66.7	174.6	0	0	0	110	E17 Y62 A267 H269	E17-L25 HydrophobicContact CG-CB 4.35Å; E17-L25 HydrophobicContact CG-CD1 3.91Å; E17-L25 HydrophobicContact CG-CG 3.67Å; E17-L25 VanDerWaalsContact OE1-CB 3.26Å; E17-L25 WeakPolarHBondContact OE1-CB 3.37Å; E17-L25 PolarHBondContact OE1-N 3.49Å; L25-Y62 HydrophobicContact CD2-CD2 3.56Å; L25-Y62 HydrophobicContact CD2-CE2 3.52Å; L25-A267 HydrophobicContact CD2-CB 3.74Å; L25-A267 HydrophobicContact CG-CB 3.97Å; L25-H269 HydrophobicContact CD1-CB 4.49Å; L25-H269 HydrophobicContact CD2-CB 4.39Å
26	P	98.7	Very high	98.6	Very high	19 Å²	19	67.6 Å²	67.6	12%	0.123	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-66.2	138.1	171.6	-11	24.2	0	0	0	111.2	Q29 P32 P36 Y62	P26-Q29 WeakPolarHBondContact CB-O 3.36Å; P26-P32 HydrophobicContact CB-CG 3.85Å; P26-P32 HydrophobicContact CG-CG 3.73Å; P26-P36 HydrophobicContact CG-CG 4.49Å; P26-Y62 WeakPolarHBondContact CD-OH 3.17Å; P26-Y62 HydrophobicContact CG-CD1 3.93Å; P26-Y62 HydrophobicContact CG-CE1 3.23Å; P26-Y62 HydrophobicContact CG-CE2 4.44Å
27	E	98.3	Very high	98.6	Very high	187 Å²	187	73.5 Å²	73.5	87%	0.874	41%	0.414	S	S	*	.	S	Bend	trans	-80.2	129.8	179.4	-168.5	174.9	-178	0	0	111	Q29	E27-Q29 PolarHBondContact O-N 3.01Å; E27-Q29 VanDerWaalsContact O-N 3.1Å
28	G	98.3	Very high	98.6	Very high	87 Å²	87	72.9 Å²	72.9	90%	0.897	43%	0.425	S	S	*	.	S	Bend	trans	71.7	-1.1	171.5	0	0	0	0	0	117
29	Q	98.6	Very high	98.6	Very high	103 Å²	103	73.6 Å²	73.6	48%	0.481	43%	0.428	S	S	.	.			trans	-155.8	161.4	-179.6	62.3	-176.8	95.7	0	0	112.8	P26 E27 S31	P26-Q29 WeakPolarHBondContact CB-O 3.36Å; E27-Q29 PolarHBondContact O-N 3.01Å; E27-Q29 VanDerWaalsContact O-N 3.1Å; Q29-S31 PolarHBondContact NE2-O 2.87Å
30	N	98.8	Very high	98.6	Very high	60 Å²	60	73.9 Å²	73.9	32%	0.321	42%	0.415	S	S	.	.	S	Bend	trans	-99.1	-20.6	-179.5	-58.3	-18.9	0	0	0	114.3	W60 Y62 H269	N30-W60 HydrophobicContact CB-CD2 3.7Å; N30-W60 HydrophobicContact CB-CE3 3.99Å; N30-W60 HydrophobicContact CB-CG 4.23Å; N30-W60 HydrophobicContact CB-CH2 4.05Å; N30-W60 HydrophobicContact CB-CZ2 3.77Å; N30-W60 HydrophobicContact CB-CZ3 4.15Å; N30-W60 PolarHBondContact ND2-NE1 2.9Å; N30-Y62 WeakPolarHBondContact CA-OH 3.41Å; N30-Y62 PolarHBondContact O-OH 3.46Å; N30-H269 PolarHBondContact OD1-CE1 2.94Å; N30-H269 VanDerWaalsContact OD1-CE1 3.27Å; N30-H269 PolarHBondContact OD1-NE2 3.35Å
31	S	98.6	Very high	98.6	Very high	75 Å²	75	69.3 Å²	69.3	52%	0.524	41%	0.406	S	S	.	.			trans	-134.4	68.7	-171.4	-53.2	0	0	0	0	110.8	Q29 W60	Q29-S31 PolarHBondContact NE2-O 2.87Å; S31-W60 WeakPolarHBondContact OG-CH2 3.26Å; S31-W60 WeakPolarHBondContact OG-CZ3 3.23Å
32	P	98.6	Very high	98.7	Very high	27 Å²	27	70.6 Å²	70.6	18%	0.175	41%	0.411	C	S	.	.			trans	-64	153.6	172.4	33.2	-38.6	0	0	0	111	P26 V34 C35	P26-P32 HydrophobicContact CB-CG 3.85Å; P26-P32 HydrophobicContact CG-CG 3.73Å; P32-V34 PolarHBondContact O-N 3.32Å; P32-C35 HydrophobicContact CG-CB 4.17Å
33	Q	98.4	Very high	98.7	Very high	199 Å²	199	69.6 Å²	69.6	93%	0.93	40%	0.398	S	S	*	.	S	Bend	trans	-59.2	-36.4	175.7	-174.8	179.8	22.9	0	0	111.6
34	V	98.5	Very high	98.7	Very high	112 Å²	112	69.2 Å²	69.2	68%	0.679	39%	0.386	S	S	*	.	S	Bend	trans	-131.6	116.5	172.1	-177.6	0	0	0	0	106.7	P32	P32-V34 PolarHBondContact O-N 3.32Å
35	C	98.8	Very high	98.7	Very high	12 Å²	12	71.7 Å²	71.7	8%	0.081	40%	0.403	C	S	.	.			trans	-68.4	153.7	175.8	-61.4	0	0	0	0	110.5	P32 Y37 G38 L39 Y62	P32-C35 HydrophobicContact CG-CB 4.17Å; C35-Y37 PolarHBondContact O-N 3.36Å; C35-G38 PolarHBondContact O-N 2.91Å; C35-L39 HydrophobicContact CB-CB 4.05Å; C35-L39 WeakPolarHBondContact CB-O 3.29Å; C35-L39 PolarHBondContact SG-O 3.49Å; C35-Y62 HydrophobicContact CB-CD1 4.49Å
36	P	98.8	Very high	98.7	Very high	35 Å²	35	70.8 Å²	70.8	23%	0.227	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-45.9	141.6	164.6	-27.7	36.1	0	0	0	111.2	G23 P26 G38 L39	G23-P36 VanDerWaalsContact O-CB 3.27Å; G23-P36 WeakPolarHBondContact O-CB 3.1Å; P26-P36 HydrophobicContact CG-CG 4.49Å; P36-G38 PolarHBondContact O-N 3.15Å; P36-L39 WeakPolarHBondContact O-CG 3.37Å; P36-L39 PolarHBondContact O-N 2.81Å
37	Y	98.6	Very high	98.7	Very high	133 Å²	133	71 Å²	71	52%	0.522	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	59.1	10.3	-176.7	-58.3	-88	0	0	0	115.8	C21 P22 C35 L39	C21-Y37 VanDerWaalsContact C-OH 3.31Å; C21-Y37 WeakPolarHBondContact CA-OH 3.48Å; C21-Y37 HydrophobicContact CB-CD2 4.38Å; C21-Y37 HydrophobicContact CB-CE1 4.28Å; C21-Y37 HydrophobicContact CB-CE2 3.94Å; P22-Y37 WeakPolarHBondContact CD-OH 3.29Å; P22-Y37 PolarHBondContact O-OH 2.65Å; C35-Y37 PolarHBondContact O-N 3.36Å; Y37-L39 VanDerWaalsContact C-N 3.27Å; Y37-L39 PolarHBondContact O-N 2.87Å
38	G	98.5	Very high	98.7	Very high	52 Å²	52	64.9 Å²	64.9	54%	0.536	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	70.9	22.6	-176.8	0	0	0	0	0	113.6	C35 P36	C35-G38 PolarHBondContact O-N 2.91Å; P36-G38 PolarHBondContact O-N 3.15Å
39	L	98.9	Very high	98.7	Very high	16 Å²	16	68.2 Å²	68.2	8%	0.084	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-67.5	166.5	178.4	-61.6	169	0	0	0	112	C35 P36 Y37 I64 V266	C35-L39 HydrophobicContact CB-CB 4.05Å; C35-L39 WeakPolarHBondContact CB-O 3.29Å; C35-L39 PolarHBondContact SG-O 3.49Å; P36-L39 WeakPolarHBondContact O-CG 3.37Å; P36-L39 PolarHBondContact O-N 2.81Å; Y37-L39 VanDerWaalsContact C-N 3.27Å; Y37-L39 PolarHBondContact O-N 2.87Å; L39-I64 HydrophobicContact CD2-CG1 4.1Å; L39-V266 HydrophobicContact CD1-CB 3.88Å; L39-V266 HydrophobicContact CD1-CG1 4.29Å; L39-V266 HydrophobicContact CD1-CG2 4.34Å; L39-V266 HydrophobicContact CD2-CB 4.18Å; L39-V266 HydrophobicContact CD2-CG2 3.71Å
40	Y	98.9	Very high	98.7	Very high	123 Å²	123	69.6 Å²	69.6	48%	0.482	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	130	168.1	-68.5	-94.1	0	0	0	109.7	Y62 R63 I64 P66	Y40-Y62 WeakPolarHBondContact O-CA 3.25Å; Y40-R63 PolarHBondContact N-O 2.88Å; Y40-R63 PolarHBondContact O-N 3.26Å; Y40-I64 WeakPolarHBondContact CD2-O 3.36Å; Y40-I64 WeakPolarHBondContact CE2-O 3.44Å; Y40-P66 HydrophobicContact CD1-CG 4.2Å; Y40-P66 HydrophobicContact CE1-CG 4.46Å; Y40-P66 HydrophobicContact CG-CB 4.48Å; Y40-P66 HydrophobicContact CG-CG 4.31Å
41	A	98.9	Very high	98.6	Very high	37 Å²	37	68.5 Å²	68.5	31%	0.306	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	127	167.5	0	0	0	0	0	109.9	W60 L61 Y62	A41-W60 HydrophobicContact CB-CE3 4.32Å; A41-W60 HydrophobicContact CB-CZ3 4.27Å; A41-L61 CarbonylContact C-O 3.54Å; A41-L61 WeakPolarHBondContact CA-O 3.33Å; A41-Y62 HydrophobicContact CB-CD1 4.06Å; A41-Y62 HydrophobicContact CB-CE1 3.79Å
42	E	98.9	Very high	98.6	Very high	40 Å²	40	69.5 Å²	69.5	19%	0.187	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	129.2	178.6	-178.4	171.6	98	0	0	109.1	L61 R63 S67	E42-L61 HydrophobicContact CB-CB 4.45Å; E42-L61 PolarHBondContact N-O 3.34Å; E42-L61 PolarHBondContact O-N 3.08Å; E42-R63 WeakPolarHBondContact OE1-CD 3.23Å; E42-R63 IonicContact OE1-CZ 3.05Å; E42-R63 IonicContact OE1-NE 3.18Å; E42-R63 IonicContact OE1-NH1 3.55Å; E42-R63 PolarHBondContact OE1-NH1 2.8Å; E42-S67 WeakPolarHBondContact OE1-CB 3.45Å; E42-S67 PolarHBondContact OE1-OG 3.1Å; E42-S67 WeakPolarHBondContact OE2-CB 3.31Å; E42-S67 PolarHBondContact OE2-N 2.75Å
43	Q	98.9	Very high	98.6	Very high	70 Å²	70	78.1 Å²	78.1	33%	0.327	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.3	176.9	-176.1	174	-144	0	0	110	S59 W60	Q43-S59 CarbonylContact C-O 3.58Å; Q43-S59 WeakPolarHBondContact CA-O 3.43Å; Q43-W60 HydrophobicContact CB-CD2 4.02Å; Q43-W60 HydrophobicContact CB-CE3 4.05Å; Q43-W60 HydrophobicContact CB-CH2 4.09Å; Q43-W60 HydrophobicContact CB-CZ2 4.03Å; Q43-W60 HydrophobicContact CB-CZ3 4.08Å; Q43-W60 HydrophobicContact CG-CD2 4.3Å; Q43-W60 HydrophobicContact CG-CZ2 4.18Å
44	L	98.9	Very high	98.5	Very high	35 Å²	35	74.1 Å²	74.1	18%	0.183	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	112.7	165.6	-179.4	62.8	0	0	0	108.6	R58 S59 F169 M186 Y272	L44-R58 VanDerWaalsContact O-CA 3.31Å; L44-R58 WeakPolarHBondContact O-CA 3.34Å; L44-S59 PolarHBondContact N-O 2.78Å; L44-S59 PolarHBondContact O-N 3.41Å; L44-F169 HydrophobicContact CD2-CE2 4.21Å; L44-F169 HydrophobicContact CD2-CZ 4.14Å; L44-M186 HydrophobicContact CD2-CE 4.23Å; L44-M186 HydrophobicContact CD2-CG 3.8Å; L44-Y272 HydrophobicContact CD1-CE1 4.47Å; L44-Y272 HydrophobicContact CD2-CD1 3.71Å; L44-Y272 HydrophobicContact CD2-CE1 3.73Å; L44-Y272 HydrophobicContact CG-CD1 3.79Å; L44-Y272 HydrophobicContact CG-CE1 3.82Å
45	S	98.8	Very high	98.4	Very high	51 Å²	51	71.1 Å²	71.1	36%	0.357	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	111.8	178.5	-54.4	0	0	0	0	109.5
46	G	98.6	Very high	98.4	Very high	13 Å²	13	72.2 Å²	72.2	13%	0.134	40%	0.404	C	S	.	.	S	Bend	trans	-84.7	-24.7	176.7	0	0	0	0	0	113	K57 H207	G46-K57 WeakPolarHBondContact CA-O 3.38Å; G46-K57 PolarHBondContact N-O 2.93Å; G46-H207 PolarHBondContact O-NE2 2.85Å
47	S	98.6	Very high	98.4	Very high	23 Å²	23	72.1 Å²	72.1	16%	0.161	40%	0.4	C	S	.	.	S	Bend	trans	-121.5	171.8	178.1	75.4	0	0	0	0	112.6	N56 K57	S47-N56 WeakPolarHBondContact OG-CA 3.33Å; S47-K57 PolarHBondContact N-O 2.81Å; S47-K57 VanDerWaalsContact N-O 3.14Å; S47-K57 PolarHBondContact OG-N 2.9Å
48	A	98.3	Very high	98.4	Very high	59 Å²	59	68.2 Å²	68.2	49%	0.488	39%	0.385	S	S	.	.			trans	-61.5	146.2	164.8	0	0	0	0	0	110.5	T50 C51	A48-T50 PolarHBondContact O-N 2.8Å; A48-T50 VanDerWaalsContact O-N 3.17Å; A48-C51 WeakPolarHBondContact O-CB 3.42Å; A48-C51 PolarHBondContact O-N 2.87Å; A48-C51 VanDerWaalsContact O-N 3.13Å; A48-C51 PolarHBondContact O-SG 2.83Å; A48-C51 VanDerWaalsContact O-SG 3.41Å
49	F	98.4	Very high	98.5	Very high	157 Å²	157	65.8 Å²	65.8	69%	0.689	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.4	-177.6	-69.3	-59.7	0	0	0	113.6	N56	F49-N56 PolarHBondContact O-ND2 3.14Å
50	T	98.3	Very high	98.5	Very high	132 Å²	132	66.4 Å²	66.4	81%	0.81	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	5.3	-176.7	53.4	0	0	0	0	113.6	A48	A48-T50 PolarHBondContact O-N 2.8Å; A48-T50 VanDerWaalsContact O-N 3.17Å
51	C	98.3	Very high	98.5	Very high	38 Å²	38	60.7 Å²	60.7	26%	0.257	34%	0.338	S	S	.	.	S	Bend	trans	-54.9	138.2	171.8	-75.8	0	0	0	0	109.7	A48 A55 N56	A48-C51 WeakPolarHBondContact O-CB 3.42Å; A48-C51 PolarHBondContact O-N 2.87Å; A48-C51 VanDerWaalsContact O-N 3.13Å; A48-C51 PolarHBondContact O-SG 2.83Å; A48-C51 VanDerWaalsContact O-SG 3.41Å; C51-A55 HydrophobicContact CB-CB 4.45Å; C51-N56 HydrophobicContact CB-CB 4.18Å; C51-N56 PolarHBondContact O-ND2 2.83Å; C51-N56 VanDerWaalsContact O-ND2 3.15Å
52	P	98.2	Very high	98.5	Very high	95 Å²	95	59 Å²	59	62%	0.617	32%	0.324	S	S	*	.			trans	-51.5	145.5	172	-25.4	33.9	0	0	0	110.5	P54 A55 N56	P52-P54 VanDerWaalsContact C-N 3.3Å; P52-A55 CarbonylContact O-C 3.52Å; P52-A55 WeakPolarHBondContact O-CA 3.44Å; P52-A55 PolarHBondContact O-N 2.9Å; P52-N56 PolarHBondContact O-N 2.83Å
53	R	98.1	Very high	98.5	Very high	209 Å²	209	57.1 Å²	57.1	79%	0.789	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-47.1	-41.9	-173.2	-172.8	179.9	-62	-78.5	-0.6	114.9	A55 N56	R53-A55 VanDerWaalsContact C-N 3.28Å; R53-A55 PolarHBondContact O-N 2.92Å; R53-N56 PolarHBondContact O-N 2.94Å
54	P	96.6	Very high	98.5	Very high	114 Å²	114	55.6 Å²	55.6	74%	0.74	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-62.3	-32.8	176.9	-24.1	35.7	0	0	0	114.3	P52 K57	P52-P54 VanDerWaalsContact C-N 3.3Å; P54-K57 PolarHBondContact O-NZ 2.78Å; P54-K57 VanDerWaalsContact O-NZ 3.14Å
55	A	96.8	Very high	98.4	Very high	49 Å²	49	55.9 Å²	55.9	41%	0.405	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-96.4	-7.4	-179.6	0	0	0	0	0	113.2	C51 P52 R53 K57	C51-A55 HydrophobicContact CB-CB 4.45Å; P52-A55 CarbonylContact O-C 3.52Å; P52-A55 WeakPolarHBondContact O-CA 3.44Å; P52-A55 PolarHBondContact O-N 2.9Å; R53-A55 VanDerWaalsContact C-N 3.28Å; R53-A55 PolarHBondContact O-N 2.92Å; A55-K57 PolarHBondContact O-N 3.4Å
56	N	98.7	Very high	98.4	Very high	35 Å²	35	54.7 Å²	54.7	19%	0.187	30%	0.301	C	S	.	.			trans	-77.2	117.5	180	-160.5	-66.5	0	0	0	109.9	S47 F49 C51 P52 R53 N271	S47-N56 WeakPolarHBondContact OG-CA 3.33Å; F49-N56 PolarHBondContact O-ND2 3.14Å; C51-N56 HydrophobicContact CB-CB 4.18Å; C51-N56 PolarHBondContact O-ND2 2.83Å; C51-N56 VanDerWaalsContact O-ND2 3.15Å; P52-N56 PolarHBondContact O-N 2.83Å; R53-N56 PolarHBondContact O-N 2.94Å; N56-N271 PolarHBondContact O-ND2 2.86Å; N56-N271 PolarHBondContact O-OD1 2.82Å
57	K	98.8	Very high	98.4	Very high	33 Å²	33	55.1 Å²	55.1	14%	0.143	30%	0.302	C	S	.	.			trans	-117.9	116.9	-176.3	-56.9	-53.7	-176.4	-162.8	0	110.3	G46 S47 P54 A55 N271 Y272	G46-K57 WeakPolarHBondContact CA-O 3.38Å; G46-K57 PolarHBondContact N-O 2.93Å; S47-K57 PolarHBondContact N-O 2.81Å; S47-K57 VanDerWaalsContact N-O 3.14Å; S47-K57 PolarHBondContact OG-N 2.9Å; P54-K57 PolarHBondContact O-NZ 2.78Å; P54-K57 VanDerWaalsContact O-NZ 3.14Å; A55-K57 PolarHBondContact O-N 3.4Å; K57-N271 WeakPolarHBondContact CA-OD1 2.99Å; K57-Y272 HydrophobicContact CB-CD2 3.7Å; K57-Y272 HydrophobicContact CB-CE2 4.43Å; K57-Y272 HydrophobicContact CB-CG 4.16Å; K57-Y272 HydrophobicContact CG-CD2 4.43Å
58	R	98.9	Very high	98.4	Very high	52 Å²	52	59.5 Å²	59.5	20%	0.196	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	149.2	176.4	59.3	100.6	-178.3	84.5	7.3	112.9	E13 L44 G270 N271	E13-R58 VanDerWaalsContact CD-NH1 3.29Å; E13-R58 IonicContact OE1-CZ 3.28Å; E13-R58 VanDerWaalsContact OE1-CZ 3.28Å; E13-R58 IonicContact OE1-NH1 2.88Å; E13-R58 PolarHBondContact OE1-NH1 3.22Å; E13-R58 IonicContact OE1-NH2 2.83Å; E13-R58 PolarHBondContact OE1-NH2 3.24Å; E13-R58 IonicContact OE2-CZ 3.92Å; E13-R58 IonicContact OE2-NH1 2.87Å; E13-R58 PolarHBondContact OE2-NH1 2.79Å; L44-R58 VanDerWaalsContact O-CA 3.31Å; L44-R58 WeakPolarHBondContact O-CA 3.34Å; R58-G270 WeakPolarHBondContact O-CA 3.46Å; R58-N271 PolarHBondContact N-OD1 3.3Å; R58-N271 PolarHBondContact O-N 2.68Å; R58-N271 VanDerWaalsContact O-N 3.1Å; R58-N271 PolarHBondContact O-OD1 3.31Å
59	S	98.9	Very high	98.4	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	141.3	172.8	-65.6	0	0	0	0	111.4	Q43 L44 H269 Y272	Q43-S59 CarbonylContact C-O 3.58Å; Q43-S59 WeakPolarHBondContact CA-O 3.43Å; L44-S59 PolarHBondContact N-O 2.78Å; L44-S59 PolarHBondContact O-N 3.41Å; S59-H269 CarbonylContact C-O 3.5Å; S59-H269 WeakPolarHBondContact CA-O 3.45Å; S59-Y272 VanDerWaalsContact OG-C 3.3Å; S59-Y272 PolarHBondContact OG-N 3.35Å; S59-Y272 PolarHBondContact OG-O 3.39Å
60	W	98.9	Very high	98.4	Very high	30 Å²	30	56.5 Å²	56.5	11%	0.114	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	128.8	170.8	-74.9	86.8	0	0	0	109.2	N30 S31 A41 Q43 Y62 W268 H269	N30-W60 HydrophobicContact CB-CD2 3.7Å; N30-W60 HydrophobicContact CB-CE3 3.99Å; N30-W60 HydrophobicContact CB-CG 4.23Å; N30-W60 HydrophobicContact CB-CH2 4.05Å; N30-W60 HydrophobicContact CB-CZ2 3.77Å; N30-W60 HydrophobicContact CB-CZ3 4.15Å; N30-W60 PolarHBondContact ND2-NE1 2.9Å; S31-W60 WeakPolarHBondContact OG-CH2 3.26Å; S31-W60 WeakPolarHBondContact OG-CZ3 3.23Å; A41-W60 HydrophobicContact CB-CE3 4.32Å; A41-W60 HydrophobicContact CB-CZ3 4.27Å; Q43-W60 HydrophobicContact CB-CD2 4.02Å; Q43-W60 HydrophobicContact CB-CE3 4.05Å; Q43-W60 HydrophobicContact CB-CH2 4.09Å; Q43-W60 HydrophobicContact CB-CZ2 4.03Å; Q43-W60 HydrophobicContact CB-CZ3 4.08Å; Q43-W60 HydrophobicContact CG-CD2 4.3Å; Q43-W60 HydrophobicContact CG-CZ2 4.18Å; W60-Y62 HydrophobicContact CB-CE2 4.18Å; W60-W268 CarbonylContact O-C 3.51Å; W60-W268 WeakPolarHBondContact O-CA 3.32Å; W60-W268 VanDerWaalsContact O-CB 3.26Å; W60-W268 WeakPolarHBondContact O-CB 3.45Å; W60-H269 AromaticContact CD1-CE1 3.63Å; W60-H269 AromaticContact CD1-NE2 3.91Å; W60-H269 AromaticContact CG-CE1 3.97Å; W60-H269 AromaticContact CG-NE2 3.79Å; W60-H269 PolarHBondContact N-O 2.78Å; W60-H269 PolarHBondContact O-N 2.9Å
61	L	98.9	Very high	98.4	Very high	2 Å²	2	57 Å²	57	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	127.8	-178.4	-48.2	179.8	0	0	0	108.3	A41 E42 F169 V265 W268	A41-L61 CarbonylContact C-O 3.54Å; A41-L61 WeakPolarHBondContact CA-O 3.33Å; E42-L61 HydrophobicContact CB-CB 4.45Å; E42-L61 PolarHBondContact N-O 3.34Å; E42-L61 PolarHBondContact O-N 3.08Å; L61-F169 HydrophobicContact CD2-CD1 4.46Å; L61-F169 HydrophobicContact CD2-CE1 3.81Å; L61-F169 HydrophobicContact CD2-CE2 4.44Å; L61-F169 HydrophobicContact CD2-CZ 3.79Å; L61-V265 HydrophobicContact CB-CG1 4Å; L61-V265 HydrophobicContact CB-CG2 4.26Å; L61-V265 HydrophobicContact CD1-CG2 4.36Å; L61-V265 HydrophobicContact CD2-CG1 4.25Å; L61-W268 HydrophobicContact CD2-CB 3.78Å
62	Y	98.9	Very high	98.5	Very high	1 Å²	1	60.7 Å²	60.7	0%	0.004	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	101.6	173.4	-59.2	-84.7	0	0	0	108.1	L25 P26 N30 C35 Y40 A41 W60 V266 A267 H269	L25-Y62 HydrophobicContact CD2-CD2 3.56Å; L25-Y62 HydrophobicContact CD2-CE2 3.52Å; P26-Y62 WeakPolarHBondContact CD-OH 3.17Å; P26-Y62 HydrophobicContact CG-CD1 3.93Å; P26-Y62 HydrophobicContact CG-CE1 3.23Å; P26-Y62 HydrophobicContact CG-CE2 4.44Å; N30-Y62 WeakPolarHBondContact CA-OH 3.41Å; N30-Y62 PolarHBondContact O-OH 3.46Å; C35-Y62 HydrophobicContact CB-CD1 4.49Å; Y40-Y62 WeakPolarHBondContact O-CA 3.25Å; A41-Y62 HydrophobicContact CB-CD1 4.06Å; A41-Y62 HydrophobicContact CB-CE1 3.79Å; W60-Y62 HydrophobicContact CB-CE2 4.18Å; Y62-V266 PolarHBondContact O-N 3.1Å; Y62-A267 HydrophobicContact CD2-CB 4.49Å; Y62-A267 PolarHBondContact N-O 3.08Å; Y62-A267 PolarHBondContact O-N 3.07Å; Y62-H269 AromaticContact CE2-CD2 3.8Å; Y62-H269 PolarHBondContact OH-NE2 2.79Å
63	R	98.9	Very high	98.5	Very high	1 Å²	1	59.4 Å²	59.4	0%	0.004	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	153.6	-163.6	64.2	-171.4	-62.3	141.2	13.3	113	Y40 E42 L65 S67 E168 P262 N264 V265	Y40-R63 PolarHBondContact N-O 2.88Å; Y40-R63 PolarHBondContact O-N 3.26Å; E42-R63 WeakPolarHBondContact OE1-CD 3.23Å; E42-R63 IonicContact OE1-CZ 3.05Å; E42-R63 IonicContact OE1-NE 3.18Å; E42-R63 IonicContact OE1-NH1 3.55Å; E42-R63 PolarHBondContact OE1-NH1 2.8Å; R63-L65 PolarHBondContact NE-O 2.85Å; R63-S67 VanDerWaalsContact CZ-OG 3.24Å; R63-S67 PolarHBondContact NH1-OG 2.98Å; R63-E168 IonicContact CZ-OE1 3.75Å; R63-E168 IonicContact NH1-OE1 3.83Å; R63-E168 PolarHBondContact NH1-OE1 3.28Å; R63-E168 IonicContact NH2-OE1 3.48Å; R63-P262 PolarHBondContact NH2-O 3.36Å; R63-N264 CarbonylContact C-O 3.51Å; R63-N264 VanDerWaalsContact CA-O 3.29Å; R63-N264 WeakPolarHBondContact CA-O 3.28Å; R63-N264 PolarHBondContact NE-OD1 3.14Å; R63-N264 PolarHBondContact NH2-OD1 2.96Å; R63-V265 HydrophobicContact CB-CB 4.49Å; R63-V265 HydrophobicContact CB-CG2 4.05Å
64	I	98.9	Very high	98.5	Very high	39 Å²	39	53.9 Å²	53.9	20%	0.2	29%	0.293	C	S	.	.	S	Bend	trans	-66.7	-42.7	-176.3	-60.7	171.7	0	0	0	111.6	L39 Y40 Y234 D236 N264 V266	L39-I64 HydrophobicContact CD2-CG1 4.1Å; Y40-I64 WeakPolarHBondContact CD2-O 3.36Å; Y40-I64 WeakPolarHBondContact CE2-O 3.44Å; I64-Y234 HydrophobicContact CD1-CD2 3.65Å; I64-Y234 HydrophobicContact CD1-CE2 3.86Å; I64-D236 HydrophobicContact CD1-CB 3.62Å; I64-N264 HydrophobicContact CB-CB 4.16Å; I64-N264 HydrophobicContact CD1-CB 4.24Å; I64-N264 HydrophobicContact CG1-CB 4.39Å; I64-N264 PolarHBondContact N-O 2.93Å; I64-V266 HydrophobicContact CD1-CG2 4.29Å; I64-V266 HydrophobicContact CG1-CG2 3.95Å
65	L	98.6	Very high	98.6	Very high	41 Å²	41	52.1 Å²	52.1	22%	0.215	29%	0.288	C	S	.	.	S	Bend	trans	-134.8	137.8	174.7	-72.7	169.8	0	0	0	109.2	R63 K69 F260 N264	R63-L65 PolarHBondContact NE-O 2.85Å; L65-K69 HydrophobicContact CD1-CD 4.14Å; L65-K69 HydrophobicContact CD2-CD 4.13Å; L65-F260 HydrophobicContact CB-CD2 4.1Å; L65-F260 HydrophobicContact CB-CE1 4.4Å; L65-F260 HydrophobicContact CB-CE2 3.67Å; L65-F260 HydrophobicContact CB-CZ 3.84Å; L65-F260 HydrophobicContact CD1-CB 4.27Å; L65-F260 HydrophobicContact CD1-CD1 3.71Å; L65-F260 HydrophobicContact CD1-CD2 3.9Å; L65-F260 HydrophobicContact CD1-CE1 3.98Å; L65-F260 HydrophobicContact CD1-CE2 4.17Å; L65-F260 HydrophobicContact CD1-CG 3.69Å; L65-F260 HydrophobicContact CD1-CZ 4.21Å; L65-N264 PolarHBondContact N-ND2 3.08Å; L65-N264 PolarHBondContact O-ND2 2.88Å
66	P	98.7	Very high	98.7	Very high	26 Å²	26	52 Å²	52	17%	0.169	28%	0.283	C	S	.	.			trans	-70.7	150.9	-176.9	30.7	-35.8	0	0	0	112	Y40 V68 K69	Y40-P66 HydrophobicContact CD1-CG 4.2Å; Y40-P66 HydrophobicContact CE1-CG 4.46Å; Y40-P66 HydrophobicContact CG-CB 4.48Å; Y40-P66 HydrophobicContact CG-CG 4.31Å; P66-V68 HydrophobicContact CB-CG1 4.16Å; P66-V68 HydrophobicContact CG-CG1 4.06Å; P66-V68 PolarHBondContact O-N 2.96Å; P66-V68 VanDerWaalsContact O-N 3.1Å; P66-K69 PolarHBondContact O-N 3.4Å; P66-K69 VanDerWaalsContact O-N 3.08Å
67	S	98.7	Very high	98.6	Very high	21 Å²	21	56.1 Å²	56.1	15%	0.147	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.7	-178.3	-73.9	0	0	0	0	113.9	E42 R63 K69 H70 R187	E42-S67 WeakPolarHBondContact OE1-CB 3.45Å; E42-S67 PolarHBondContact OE1-OG 3.1Å; E42-S67 WeakPolarHBondContact OE2-CB 3.31Å; E42-S67 PolarHBondContact OE2-N 2.75Å; R63-S67 VanDerWaalsContact CZ-OG 3.24Å; R63-S67 PolarHBondContact NH1-OG 2.98Å; S67-K69 PolarHBondContact O-N 3.38Å; S67-H70 PolarHBondContact O-CD2 2.95Å; S67-H70 VanDerWaalsContact O-CD2 3.22Å; S67-R187 PolarHBondContact O-NH2 3.24Å
68	V	98.6	Very high	98.4	Very high	116 Å²	116	55.9 Å²	55.9	70%	0.703	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-18.1	178.7	73.7	0	0	0	0	112.9	P66 H70	P66-V68 HydrophobicContact CB-CG1 4.16Å; P66-V68 HydrophobicContact CG-CG1 4.06Å; P66-V68 PolarHBondContact O-N 2.96Å; P66-V68 VanDerWaalsContact O-N 3.1Å; V68-H70 VanDerWaalsContact C-N 3.32Å; V68-H70 PolarHBondContact O-CD2 3.38Å; V68-H70 PolarHBondContact O-N 2.79Å
69	K	98.2	Very high	98.2	Very high	83 Å²	83	56.6 Å²	56.6	36%	0.361	34%	0.336	S	S	.	.			trans	-78.2	79.2	179	-170.6	-169.6	167.4	-157.3	0	110.8	L65 P66 S67 D259 F260	L65-K69 HydrophobicContact CD1-CD 4.14Å; L65-K69 HydrophobicContact CD2-CD 4.13Å; P66-K69 PolarHBondContact O-N 3.4Å; P66-K69 VanDerWaalsContact O-N 3.08Å; S67-K69 PolarHBondContact O-N 3.38Å; K69-D259 WeakPolarHBondContact CE-OD1 3.24Å; K69-D259 IonicContact NZ-OD1 2.78Å; K69-D259 PolarHBondContact NZ-OD1 2.83Å; K69-D259 IonicContact NZ-OD2 3.56Å; K69-D259 PolarHBondContact NZ-OD2 2.95Å; K69-F260 HydrophobicContact CB-CE1 4.07Å; K69-F260 HydrophobicContact CB-CZ 4.08Å; K69-F260 HydrophobicContact CD-CD1 4.44Å; K69-F260 HydrophobicContact CD-CE1 3.72Å; K69-F260 HydrophobicContact CD-CZ 4.34Å; K69-F260 HydrophobicContact CG-CE1 3.99Å; K69-F260 HydrophobicContact CG-CZ 4.49Å; K69-F260 VanDerWaalsContact O-CE1 3.3Å; K69-F260 WeakPolarHBondContact O-CE1 3.43Å
70	H	98.3	Very high	98.2	Very high	69 Å²	69	59.6 Å²	59.6	32%	0.319	35%	0.352	S	S	.	.	S	Bend	trans	-147.1	163.1	173.4	65.8	92.7	0	0	0	111.5	S67 V68 F73 C256 Q258	S67-H70 PolarHBondContact O-CD2 2.95Å; S67-H70 VanDerWaalsContact O-CD2 3.22Å; V68-H70 VanDerWaalsContact C-N 3.32Å; V68-H70 PolarHBondContact O-CD2 3.38Å; V68-H70 PolarHBondContact O-N 2.79Å; H70-F73 AromaticContact CE1-CD2 3.85Å; H70-F73 AromaticContact CE1-CE2 3.51Å; H70-F73 AromaticContact ND1-CE2 3.88Å; H70-C256 PolarHBondContact ND1-SG 2.66Å; H70-Q258 HydrophobicContact CB-CB 4.31Å
71	K	98.3	Very high	98.1	Very high	144 Å²	144	58.6 Å²	58.6	63%	0.626	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-73.4	163.5	170.7	-67.2	-173.6	-176.6	175.4	0	111	C256 Q257	K71-C256 WeakPolarHBondContact O-CB 3.31Å; K71-Q257 WeakPolarHBondContact CB-O 3.37Å; K71-Q257 HydrophobicContact CD-CB 4.3Å; K71-Q257 PolarHBondContact N-O 3.18Å
72	P	98.6	Very high	98	Very high	114 Å²	114	59.6 Å²	59.6	74%	0.74	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-54.3	146	172.7	-26.8	35.9	0	0	0	112.9
73	F	98.8	Very high	97.9	Very high	69 Å²	69	61.1 Å²	61.1	30%	0.303	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-73.2	142.3	173.8	-80.9	-83.8	0	0	0	111.4	H70 V245 N247 F254 A255 C256	H70-F73 AromaticContact CE1-CD2 3.85Å; H70-F73 AromaticContact CE1-CE2 3.51Å; H70-F73 AromaticContact ND1-CE2 3.88Å; F73-V245 HydrophobicContact CE1-CG1 4.42Å; F73-V245 HydrophobicContact CZ-CG1 4.25Å; F73-N247 HydrophobicContact CD1-CB 4.3Å; F73-N247 HydrophobicContact CE1-CB 3.65Å; F73-N247 HydrophobicContact CZ-CB 4.04Å; F73-F254 HydrophobicContact CB-CB 4.09Å; F73-F254 HydrophobicContact CD1-CB 3.82Å; F73-F254 HydrophobicContact CG-CB 4.3Å; F73-A255 CarbonylContact C-O 3.47Å; F73-A255 WeakPolarHBondContact CA-O 3.49Å; F73-A255 VanDerWaalsContact CD1-C 3.5Å; F73-C256 HydrophobicContact CB-CB 4.48Å; F73-C256 HydrophobicContact CD1-CB 3.68Å; F73-C256 HydrophobicContact CD2-CB 4.16Å; F73-C256 HydrophobicContact CE1-CB 3.84Å; F73-C256 VanDerWaalsContact CE1-SG 3.6Å; F73-C256 HydrophobicContact CE2-CB 4.31Å; F73-C256 HydrophobicContact CG-CB 3.85Å; F73-C256 HydrophobicContact CZ-CB 4.15Å; F73-C256 WeakPolarHBondContact CZ-SG 3.38Å
74	T	98.6	Very high	97.9	Very high	92 Å²	92	64.9 Å²	64.9	56%	0.564	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	146.6	170.7	58.4	0	0	0	0	110	F254 A255	T74-F254 CarbonylContact O-C 3.56Å; T74-F254 WeakPolarHBondContact O-CA 3.14Å; T74-A255 PolarHBondContact N-O 3.12Å; T74-A255 PolarHBondContact O-N 3.47Å; T74-A255 PolarHBondContact OG1-O 2.92Å
75	A	98.6	Very high	97.8	Very high	78 Å²	78	64.4 Å²	64.4	65%	0.645	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	141.9	178.1	0	0	0	0	0	110.9	F254	A75-F254 HydrophobicContact CB-CD1 4.13Å; A75-F254 HydrophobicContact CB-CE1 4.03Å
76	V	98.1	Very high	97.8	Very high	47 Å²	47	69.6 Å²	69.6	29%	0.285	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	158.2	174.5	-61.5	0	0	0	0	110.9	C78 L253 A255	V76-C78 PolarHBondContact O-N 2.95Å; V76-L253 HydrophobicContact CG2-CB 3.55Å; V76-L253 PolarHBondContact N-O 3.25Å; V76-A255 HydrophobicContact CG1-CB 3.6Å; V76-A255 HydrophobicContact CG2-CB 4.42Å
77	P	97	Very high	97.7	Very high	121 Å²	121	71.7 Å²	71.7	79%	0.786	41%	0.414	S	S	*	.			trans	-57.5	134.1	179.6	-25.4	35.2	0	0	0	112.2	G79	P77-G79 VanDerWaalsContact C-N 3.35Å
78	C	94.8	Very high	97.6	Very high	28 Å²	28	71.7 Å²	71.7	19%	0.189	41%	0.413	C	S	.	.			trans	-83.4	-9.6	179.6	-58.6	0	0	0	0	113.4	V76 N80 L81 L253	V76-C78 PolarHBondContact O-N 2.95Å; C78-N80 PolarHBondContact O-N 3.14Å; C78-L81 HydrophobicContact CB-CB 4.37Å; C78-L81 WeakPolarHBondContact O-CB 3.43Å; C78-L81 PolarHBondContact O-N 2.84Å; C78-L253 HydrophobicContact CB-CG 4.5Å; C78-L253 PolarHBondContact SG-N 3.16Å; C78-L253 VanDerWaalsContact SG-N 3.36Å
79	G	95.7	Very high	97.6	Very high	66 Å²	66	74 Å²	74	68%	0.68	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	-121.6	-173.9	0	0	0	0	0	111.1	P77	P77-G79 VanDerWaalsContact C-N 3.35Å
80	N	97.3	Very high	97.5	Very high	63 Å²	63	75.9 Å²	75.9	34%	0.337	44%	0.437	S	S	.	.	B	Isolated β-bridge	trans	-102	15	177.7	-60.6	-62.7	0	0	0	113	C78 H117 T118 W411	C78-N80 PolarHBondContact O-N 3.14Å; N80-H117 HydrophobicContact CB-CB 4.27Å; N80-H117 WeakPolarHBondContact CB-ND1 3.36Å; N80-H117 PolarHBondContact ND2-CE1 3.21Å; N80-H117 PolarHBondContact ND2-ND1 3.39Å; N80-T118 PolarHBondContact O-N 2.76Å; N80-T118 PolarHBondContact O-OG1 2.67Å; N80-W411 HydrophobicContact CB-CB 4.43Å; N80-W411 HydrophobicContact CB-CG 4.12Å
81	L	97.6	Very high	97.4	Very high	10 Å²	10	75.7 Å²	75.7	5%	0.052	44%	0.439	C	S	.	.			trans	-76.7	126.4	164.3	-72	173.5	0	0	0	109.5	C78 L116 L253	C78-L81 HydrophobicContact CB-CB 4.37Å; C78-L81 WeakPolarHBondContact O-CB 3.43Å; C78-L81 PolarHBondContact O-N 2.84Å; L81-L116 HydrophobicContact CD1-CB 4.01Å; L81-L116 HydrophobicContact CD1-CD1 3.95Å; L81-L116 HydrophobicContact CD2-CB 3.7Å; L81-L116 HydrophobicContact CD2-CD1 4.4Å; L81-L116 HydrophobicContact CG-CB 3.83Å; L81-L253 HydrophobicContact CD1-CD1 4.09Å; L81-L253 HydrophobicContact CD1-CD2 4.04Å; L81-L253 HydrophobicContact CD1-CG 4.26Å
82	T	97.6	Very high	97.3	Very high	23 Å²	23	73 Å²	73	14%	0.141	44%	0.435	C	S	.	.			trans	-154.2	147	179.2	-174.5	0	0	0	0	109.6	N84 W85 T118 T409	T82-N84 PolarHBondContact OG1-N 3.39Å; T82-N84 VanDerWaalsContact OG1-N 3.14Å; T82-W85 WeakPolarHBondContact O-CH2 3.18Å; T82-T118 PolarHBondContact N-OG1 3.04Å; T82-T118 WeakPolarHBondContact O-CG2 3.39Å; T82-T409 HydrophobicContact CG2-CG2 3.58Å
83	E	96.6	Very high	97.3	Very high	32 Å²	32	72.6 Å²	72.6	15%	0.15	43%	0.427	C	S	.	.			trans	-120.7	18.5	169.2	-64	173.6	-169.8	0	0	110.1	W85 A125 Y204 K248 G251	E83-W85 VanDerWaalsContact C-N 3.33Å; E83-W85 HydrophobicContact CB-CH2 4.35Å; E83-W85 HydrophobicContact CB-CZ2 3.78Å; E83-W85 HydrophobicContact CG-CH2 4.31Å; E83-W85 HydrophobicContact CG-CZ2 3.89Å; E83-W85 PolarHBondContact O-N 2.8Å; E83-W85 VanDerWaalsContact O-N 3.08Å; E83-W85 PolarHBondContact O-NE1 3.03Å; E83-A125 WeakPolarHBondContact OE2-CB 3.34Å; E83-Y204 PolarHBondContact OE1-OH 2.84Å; E83-K248 WeakPolarHBondContact OE1-CE 3.38Å; E83-K248 IonicContact OE1-NZ 2.81Å; E83-K248 PolarHBondContact OE1-NZ 2.8Å; E83-G251 WeakPolarHBondContact OE1-CA 3.16Å; E83-G251 WeakPolarHBondContact OE2-CA 3.27Å
84	N	97.6	Very high	97.2	Very high	81 Å²	81	71.3 Å²	71.3	43%	0.433	42%	0.422	S	S	.	.			trans	-83.5	80.4	176.3	-173	14.1	0	0	0	110.2	T82 N86 E87	T82-N84 PolarHBondContact OG1-N 3.39Å; T82-N84 VanDerWaalsContact OG1-N 3.14Å; N84-N86 PolarHBondContact O-N 3.29Å; N84-N86 VanDerWaalsContact O-N 3.14Å; N84-N86 PolarHBondContact OD1-N 3.47Å; N84-E87 HydrophobicContact CB-CB 4.31Å; N84-E87 WeakPolarHBondContact ND2-CB 3.37Å; N84-E87 WeakPolarHBondContact O-CB 3.42Å; N84-E87 VanDerWaalsContact O-CG 3.26Å; N84-E87 WeakPolarHBondContact O-CG 3.22Å; N84-E87 PolarHBondContact O-N 3.06Å; N84-E87 VanDerWaalsContact O-N 3.15Å
85	W	98.3	Very high	97.1	Very high	29 Å²	29	67.6 Å²	67.6	11%	0.11	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-10.6	-179.3	-44.8	126.7	0	0	0	114	T82 E83 T118 G123 A407 T409	T82-W85 WeakPolarHBondContact O-CH2 3.18Å; E83-W85 VanDerWaalsContact C-N 3.33Å; E83-W85 HydrophobicContact CB-CH2 4.35Å; E83-W85 HydrophobicContact CB-CZ2 3.78Å; E83-W85 HydrophobicContact CG-CH2 4.31Å; E83-W85 HydrophobicContact CG-CZ2 3.89Å; E83-W85 PolarHBondContact O-N 2.8Å; E83-W85 VanDerWaalsContact O-N 3.08Å; E83-W85 PolarHBondContact O-NE1 3.03Å; W85-T118 HydrophobicContact CH2-CG2 3.92Å; W85-T118 HydrophobicContact CZ3-CG2 3.93Å; W85-G123 PolarHBondContact NE1-O 3.25Å; W85-A407 HydrophobicContact CB-CB 4.04Å; W85-T409 HydrophobicContact CE3-CG2 4.46Å; W85-T409 HydrophobicContact CZ3-CG2 3.98Å
86	N	97.4	Very high	97.1	Very high	149 Å²	149	64.8 Å²	64.8	80%	0.797	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	6.6	176.8	-61.3	-43.1	0	0	0	112.9	N84 V88	N84-N86 PolarHBondContact O-N 3.29Å; N84-N86 VanDerWaalsContact O-N 3.14Å; N84-N86 PolarHBondContact OD1-N 3.47Å; N86-V88 VanDerWaalsContact C-N 3.26Å; N86-V88 PolarHBondContact O-N 3.22Å
87	E	97.4	Very high	97.1	Very high	70 Å²	70	62.6 Å²	62.6	33%	0.327	36%	0.358	S	S	.	.	S	Bend	trans	-77.3	-13	-179.1	79.8	-173.9	-176.4	0	0	114	N84 T409 K410	N84-E87 HydrophobicContact CB-CB 4.31Å; N84-E87 WeakPolarHBondContact ND2-CB 3.37Å; N84-E87 WeakPolarHBondContact O-CB 3.42Å; N84-E87 VanDerWaalsContact O-CG 3.26Å; N84-E87 WeakPolarHBondContact O-CG 3.22Å; N84-E87 PolarHBondContact O-N 3.06Å; N84-E87 VanDerWaalsContact O-N 3.15Å; E87-T409 WeakPolarHBondContact OE1-CA 3.49Å; E87-T409 WeakPolarHBondContact OE1-CB 3.33Å; E87-K410 HydrophobicContact CG-CB 4.18Å; E87-K410 WeakPolarHBondContact OE1-CB 3Å; E87-K410 PolarHBondContact OE1-N 3.36Å
88	V	97.4	Very high	97.1	Very high	21 Å²	21	59.6 Å²	59.6	13%	0.127	34%	0.335	C	S	.	.	S	Bend	trans	-127.7	139	177.1	-177.6	0	0	0	0	108	N86 V408 K410 L413	N86-V88 VanDerWaalsContact C-N 3.26Å; N86-V88 PolarHBondContact O-N 3.22Å; V88-V408 HydrophobicContact CG1-CG1 4.23Å; V88-V408 WeakPolarHBondContact CG2-O 3.48Å; V88-K410 HydrophobicContact CG2-CB 4.24Å; V88-L413 HydrophobicContact CG1-CD2 3.43Å; V88-L413 VanDerWaalsContact CG1-CD2 3.43Å
89	E	97.6	Very high	97.2	Very high	164 Å²	164	59.4 Å²	59.4	77%	0.766	33%	0.334	S	S	*	.			trans	-63.3	143.4	173.1	-68.8	-61.5	148.8	0	0	111	D91	E89-D91 PolarHBondContact O-N 3.46Å
90	P	97.1	Very high	97.4	Very high	124 Å²	124	56.4 Å²	56.4	81%	0.805	30%	0.302	S	S	*	.			trans	-55.5	129.9	177.3	-25.8	34.7	0	0	0	112.7
91	D	95.3	Very high	97.4	Very high	65 Å²	65	58.5 Å²	58.5	35%	0.348	31%	0.312	S	S	.	.			trans	-127.4	113.1	176.1	-171.2	-13.1	0	0	0	109.4	E89 N93	E89-D91 PolarHBondContact O-N 3.46Å; D91-N93 VanDerWaalsContact C-N 3.25Å; D91-N93 PolarHBondContact O-N 2.91Å; D91-N93 WeakPolarHBondContact OD1-CB 3.43Å; D91-N93 VanDerWaalsContact OD1-CG 3.24Å; D91-N93 PolarHBondContact OD1-N 2.84Å; D91-N93 PolarHBondContact OD1-ND2 3.02Å
92	P	96.7	Very high	97.4	Very high	86 Å²	86	58.7 Å²	58.7	56%	0.558	31%	0.313	S	S	*	.			trans	-79.1	-6.8	179.3	34.1	-35.9	0	0	0	112.8	S366 T369	P92-S366 PolarHBondContact O-OG 2.6Å; P92-T369 PolarHBondContact O-OG1 2.76Å
93	N	97.4	Very high	97.3	Very high	107 Å²	107	59.1 Å²	59.1	57%	0.572	32%	0.316	S	S	*	.	S	Bend	trans	-62.8	151	-178.4	-67.5	-57.2	0	0	0	111.8	D91	D91-N93 VanDerWaalsContact C-N 3.25Å; D91-N93 PolarHBondContact O-N 2.91Å; D91-N93 WeakPolarHBondContact OD1-CB 3.43Å; D91-N93 VanDerWaalsContact OD1-CG 3.24Å; D91-N93 PolarHBondContact OD1-N 2.84Å; D91-N93 PolarHBondContact OD1-ND2 3.02Å
94	Q	96.8	Very high	97.1	Very high	42 Å²	42	63 Å²	63	20%	0.196	33%	0.333	C	S	.	.			trans	-68.6	133.6	172.4	-52.5	-176.6	32	0	0	109.9	H365 T369 P370 Y423	Q94-H365 PolarHBondContact OE1-CD2 3.21Å; Q94-H365 PolarHBondContact OE1-NE2 3.31Å; Q94-T369 HydrophobicContact CG-CG2 3.48Å; Q94-T369 VanDerWaalsContact CG-CG2 3.48Å; Q94-P370 PolarHBondContact NE2-O 3.02Å; Q94-Y423 HydrophobicContact CB-CD1 3.84Å; Q94-Y423 HydrophobicContact CB-CE1 3.79Å
95	L	97.8	Very high	96.8	Very high	14 Å²	14	61.4 Å²	61.4	7%	0.073	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	141.9	179.4	-55.9	178.2	0	0	0	110.1	W97 S363 L364 V408 L413 L419	L95-W97 HydrophobicContact CB-CH2 3.69Å; L95-W97 HydrophobicContact CB-CZ2 3.99Å; L95-W97 HydrophobicContact CB-CZ3 4.09Å; L95-W97 HydrophobicContact CD1-CH2 3.92Å; L95-W97 HydrophobicContact CD1-CZ2 3.91Å; L95-W97 HydrophobicContact CG-CH2 4.48Å; L95-S363 CarbonylContact O-C 3.42Å; L95-S363 WeakPolarHBondContact O-CA 3.43Å; L95-S363 WeakPolarHBondContact O-CB 3.33Å; L95-L364 HydrophobicContact CB-CB 4.34Å; L95-L364 HydrophobicContact CD1-CD2 4.49Å; L95-L364 PolarHBondContact N-O 3.02Å; L95-L364 PolarHBondContact O-N 2.98Å; L95-V408 HydrophobicContact CD1-CB 4.13Å; L95-V408 HydrophobicContact CD1-CG1 4.19Å; L95-V408 HydrophobicContact CD1-CG2 4.2Å; L95-L413 HydrophobicContact CD2-CD1 4.39Å; L95-L419 HydrophobicContact CB-CD1 4.03Å; L95-L419 HydrophobicContact CD2-CD1 4.03Å; L95-L419 HydrophobicContact CG-CD1 4.48Å
96	R	97.6	Very high	96.6	Very high	19 Å²	19	65.9 Å²	65.9	7%	0.072	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	138	171.2	-179.3	166.6	69.4	177.3	0.7	109.6	E355 G362 L419 D420 Y423	R96-E355 PolarHBondContact NH1-O 2.9Å; R96-G362 CarbonylContact C-O 3.48Å; R96-G362 WeakPolarHBondContact CA-O 3.45Å; R96-L419 WeakPolarHBondContact O-CA 3.22Å; R96-D420 HydrophobicContact CB-CB 4.36Å; R96-D420 IonicContact CZ-OD2 2.77Å; R96-D420 IonicContact NE-OD2 2.66Å; R96-D420 PolarHBondContact NE-OD2 3.37Å; R96-D420 IonicContact NH2-OD2 3.76Å; R96-D420 PolarHBondContact NH2-OD2 3.22Å; R96-D420 PolarHBondContact O-N 2.81Å; R96-Y423 HydrophobicContact CB-CD1 3.5Å; R96-Y423 VanDerWaalsContact CB-CD1 3.5Å; R96-Y423 HydrophobicContact CB-CD2 3.92Å; R96-Y423 HydrophobicContact CB-CE1 3.82Å; R96-Y423 HydrophobicContact CB-CE2 4.23Å; R96-Y423 HydrophobicContact CB-CG 3.52Å; R96-Y423 HydrophobicContact CG-CD2 4.42Å; R96-Y423 HydrophobicContact CG-CG 4.48Å; R96-Y423 VanDerWaalsContact NE-CD2 3.29Å
97	W	98.3	Very high	96.4	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131.7	176.3	-62.6	-88.4	0	0	0	110.5	L95 F100 I119 F342 G361 G362 L364 V408 G412 R418 L419	L95-W97 HydrophobicContact CB-CH2 3.69Å; L95-W97 HydrophobicContact CB-CZ2 3.99Å; L95-W97 HydrophobicContact CB-CZ3 4.09Å; L95-W97 HydrophobicContact CD1-CH2 3.92Å; L95-W97 HydrophobicContact CD1-CZ2 3.91Å; L95-W97 HydrophobicContact CG-CH2 4.48Å; W97-F100 HydrophobicContact CB-CE1 4.15Å; W97-F100 HydrophobicContact CB-CE2 4.36Å; W97-F100 HydrophobicContact CB-CZ 3.76Å; W97-F100 HydrophobicContact CD2-CZ 4.35Å; W97-F100 HydrophobicContact CG-CE1 4.12Å; W97-F100 AromaticContact CG-CZ 3.82Å; W97-F100 HydrophobicContact CG-CZ 3.82Å; W97-I119 HydrophobicContact CH2-CG2 3.91Å; W97-I119 HydrophobicContact CZ2-CG2 3.91Å; W97-I119 HydrophobicContact CZ3-CG2 4.27Å; W97-F342 HydrophobicContact CE3-CE2 4.38Å; W97-F342 HydrophobicContact CZ3-CD2 4.36Å; W97-F342 HydrophobicContact CZ3-CE2 4.05Å; W97-G361 CarbonylContact O-C 3.45Å; W97-G361 WeakPolarHBondContact O-CA 3.29Å; W97-G362 PolarHBondContact N-O 2.68Å; W97-G362 PolarHBondContact O-N 3.48Å; W97-L364 HydrophobicContact CH2-CB 3.77Å; W97-L364 HydrophobicContact CH2-CD2 4.43Å; W97-L364 HydrophobicContact CZ3-CB 3.73Å; W97-V408 HydrophobicContact CH2-CG2 4.49Å; W97-V408 HydrophobicContact CZ2-CG2 3.88Å; W97-G412 PolarHBondContact NE1-O 2.94Å; W97-R418 CarbonylContact C-O 3.46Å; W97-R418 WeakPolarHBondContact CA-O 3.22Å; W97-R418 HydrophobicContact CB-CB 4.4Å; W97-L419 HydrophobicContact CD2-CD1 4.46Å; W97-L419 HydrophobicContact CZ2-CD1 4.31Å
98	L	97.3	Very high	96.3	Very high	59 Å²	59	69.2 Å²	69.2	31%	0.309	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-63.6	163.8	163.1	-61.3	175.8	0	0	0	110.3	F100 R418	L98-F100 PolarHBondContact O-N 3.33Å; L98-R418 HydrophobicContact CB-CB 4.48Å; L98-R418 VanDerWaalsContact CB-NH2 3.33Å; L98-R418 PolarHBondContact N-O 2.92Å
99	P	97.6	Very high	96.3	Very high	24 Å²	24	74.7 Å²	74.7	16%	0.156	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-52.8	127.7	-178.5	-29.6	36.3	0	0	0	113.6	L358 P359 G360 R418	P99-L358 HydrophobicContact CG-CB 3.63Å; P99-L358 HydrophobicContact CG-CD1 4.43Å; P99-P359 WeakPolarHBondContact CB-O 3.22Å; P99-P359 WeakPolarHBondContact CG-O 3.39Å; P99-G360 WeakPolarHBondContact CA-O 3.4Å; P99-R418 VanDerWaalsContact O-CZ 3.23Å; P99-R418 PolarHBondContact O-NE 3.35Å; P99-R418 PolarHBondContact O-NH2 3.45Å
100	F	98.3	Very high	96.3	Very high	3 Å²	3	67.4 Å²	67.4	1%	0.013	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-64.5	138.3	-176.7	-62.9	-79.3	0	0	0	111.9	W97 L98 I119 V135 T137 R197 G360 W411 C416 R418	W97-F100 HydrophobicContact CB-CE1 4.15Å; W97-F100 HydrophobicContact CB-CE2 4.36Å; W97-F100 HydrophobicContact CB-CZ 3.76Å; W97-F100 HydrophobicContact CD2-CZ 4.35Å; W97-F100 HydrophobicContact CG-CE1 4.12Å; W97-F100 AromaticContact CG-CZ 3.82Å; W97-F100 HydrophobicContact CG-CZ 3.82Å; L98-F100 PolarHBondContact O-N 3.33Å; F100-I119 HydrophobicContact CE2-CD1 3.86Å; F100-I119 HydrophobicContact CZ-CD1 3.74Å; F100-I119 HydrophobicContact CZ-CG1 4.02Å; F100-V135 HydrophobicContact CB-CG1 4.45Å; F100-V135 HydrophobicContact CB-CG2 4.16Å; F100-V135 HydrophobicContact CD1-CG1 4.26Å; F100-V135 HydrophobicContact CD2-CB 4.12Å; F100-V135 HydrophobicContact CD2-CG1 4.07Å; F100-V135 HydrophobicContact CD2-CG2 3.77Å; F100-V135 HydrophobicContact CE2-CB 4.41Å; F100-V135 HydrophobicContact CE2-CG1 4.39Å; F100-V135 HydrophobicContact CE2-CG2 4.48Å; F100-V135 HydrophobicContact CG-CB 4.5Å; F100-V135 HydrophobicContact CG-CG1 4.01Å; F100-V135 HydrophobicContact CG-CG2 4.14Å; F100-T137 HydrophobicContact CB-CG2 4.27Å; F100-R197 VanDerWaalsContact O-CD 3.31Å; F100-R197 WeakPolarHBondContact O-CD 3.28Å; F100-R197 PolarHBondContact O-NH1 2.85Å; F100-G360 VanDerWaalsContact CD2-O 3.25Å; F100-G360 WeakPolarHBondContact CD2-O 3.48Å; F100-G360 PolarHBondContact N-O 3.37Å; F100-G360 VanDerWaalsContact N-O 3.13Å; F100-W411 AromaticContact CD1-CH2 3.47Å; F100-W411 HydrophobicContact CD1-CH2 3.47Å; F100-W411 VanDerWaalsContact CD1-CH2 3.47Å; F100-W411 HydrophobicContact CD1-CZ2 4.26Å; F100-W411 HydrophobicContact CD1-CZ3 4.2Å; F100-W411 AromaticContact CE1-CH2 3.6Å; F100-W411 HydrophobicContact CE1-CH2 3.6Å; F100-W411 AromaticContact CE1-CZ3 3.85Å; F100-W411 HydrophobicContact CE1-CZ3 3.85Å; F100-W411 HydrophobicContact CG-CH2 4.31Å; F100-C416 HydrophobicContact CE1-CB 4.46Å; F100-R418 HydrophobicContact CD1-CB 4.33Å; F100-R418 HydrophobicContact CD1-CG 4.03Å; F100-R418 HydrophobicContact CE1-CB 4.46Å
101	I	97.4	Very high	96.4	Very high	106 Å²	106	62.3 Å²	62.3	54%	0.544	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-73.1	131.3	-174.8	-66.9	165.1	0	0	0	110	T137	I101-T137 WeakPolarHBondContact O-CG2 3.49Å; I101-T137 PolarHBondContact O-OG1 2.78Å
102	I	97.9	Very high	96.6	Very high	15 Å²	15	59.4 Å²	59.4	8%	0.077	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-89.3	125.7	169.1	-52.6	169.8	0	0	0	107.6	K104 T137 C138 Q160 E195 R197	I102-K104 PolarHBondContact O-N 3.39Å; I102-T137 HydrophobicContact CG1-CG2 4.25Å; I102-C138 WeakPolarHBondContact CG2-O 3.46Å; I102-Q160 HydrophobicContact CD1-CG 4.44Å; I102-E195 HydrophobicContact CB-CB 4.37Å; I102-E195 HydrophobicContact CD1-CB 4.05Å; I102-E195 HydrophobicContact CG2-CB 3.79Å; I102-E195 HydrophobicContact CG2-CG 3.99Å; I102-R197 HydrophobicContact CD1-CB 3.73Å; I102-R197 HydrophobicContact CG1-CB 3.91Å
103	P	94.9	Very high	96.7	Very high	31 Å²	31	55.6 Å²	55.6	20%	0.201	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-61.8	133.2	176.1	25.2	-32.3	0	0	0	109.2	S105 V110 N139	P103-S105 PolarHBondContact O-N 3.43Å; P103-V110 HydrophobicContact CB-CG2 4.22Å; P103-V110 HydrophobicContact CG-CB 3.95Å; P103-V110 HydrophobicContact CG-CG1 4.38Å; P103-V110 HydrophobicContact CG-CG2 3.73Å; P103-N139 PolarHBondContact O-ND2 3.43Å
104	K	92.9	Very high	96.7	Very high	115 Å²	115	53.5 Å²	53.5	50%	0.5	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-67.2	136.6	177.4	-68.5	-172.2	179.4	177.6	0	109.7	I102 T106 E107 K108	I102-K104 PolarHBondContact O-N 3.39Å; K104-T106 PolarHBondContact O-N 2.84Å; K104-T106 VanDerWaalsContact O-N 3.08Å; K104-E107 HydrophobicContact CB-CG 4.11Å; K104-E107 PolarHBondContact O-N 3.49Å; K104-K108 PolarHBondContact O-N 2.66Å; K104-K108 VanDerWaalsContact O-N 3.14Å
105	S	91.9	Very high	96.8	Very high	46 Å²	46	51.5 Å²	51.5	32%	0.322	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-14.5	-178.4	78.5	0	0	0	0	113.5	P103 K109	P103-S105 PolarHBondContact O-N 3.43Å; S105-K109 WeakPolarHBondContact O-CE 3.39Å; S105-K109 PolarHBondContact O-NZ 2.76Å; S105-K109 VanDerWaalsContact O-NZ 3.15Å
106	T	93	Very high	96.8	Very high	124 Å²	124	51 Å²	51	76%	0.761	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-23.3	172.4	52	0	0	0	0	113.1	K104	K104-T106 PolarHBondContact O-N 2.84Å; K104-T106 VanDerWaalsContact O-N 3.08Å
107	E	93.3	Very high	96.9	Very high	144 Å²	144	51.3 Å²	51.3	67%	0.673	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-48.3	-179.5	-66.1	168	-166.4	0	0	110.9	K104	K104-E107 HydrophobicContact CB-CG 4.11Å; K104-E107 PolarHBondContact O-N 3.49Å
108	K	95.9	Very high	96.9	Very high	144 Å²	144	51.4 Å²	51.4	63%	0.626	27%	0.269	S	S	*	.			trans	-153.8	133.6	-179.2	-171.7	179.2	177.6	-176.9	0	110.6	K104 V110 N139	K104-K108 PolarHBondContact O-N 2.66Å; K104-K108 VanDerWaalsContact O-N 3.14Å; K108-V110 HydrophobicContact CB-CG2 4.28Å; K108-V110 HydrophobicContact CD-CG2 3.95Å; K108-V110 HydrophobicContact CG-CG2 3.86Å; K108-N139 PolarHBondContact O-ND2 2.9Å
109	K	97.6	Very high	97	Very high	136 Å²	136	48.6 Å²	48.6	59%	0.591	26%	0.255	S	S	*	.			trans	-77.5	121.9	169.1	-60.5	-64.9	178.4	-173.9	0	109.2	S105 N139 T140	S105-K109 WeakPolarHBondContact O-CE 3.39Å; S105-K109 PolarHBondContact O-NZ 2.76Å; S105-K109 VanDerWaalsContact O-NZ 3.15Å; K109-N139 WeakPolarHBondContact CA-OD1 3.41Å; K109-T140 VanDerWaalsContact CD-OG1 3.24Å; K109-T140 WeakPolarHBondContact CD-OG1 3.39Å
110	V	98.3	Very high	97	Very high	11 Å²	11	47.4 Å²	47.4	7%	0.067	25%	0.247	C	C	.	.			trans	-133.6	119	-176.9	-178.3	0	0	0	0	108.1	P103 K108 A114 C138 N139 T140	P103-V110 HydrophobicContact CB-CG2 4.22Å; P103-V110 HydrophobicContact CG-CB 3.95Å; P103-V110 HydrophobicContact CG-CG1 4.38Å; P103-V110 HydrophobicContact CG-CG2 3.73Å; K108-V110 HydrophobicContact CB-CG2 4.28Å; K108-V110 HydrophobicContact CD-CG2 3.95Å; K108-V110 HydrophobicContact CG-CG2 3.86Å; V110-A114 HydrophobicContact CG1-CB 4.06Å; V110-C138 WeakPolarHBondContact O-CA 3.26Å; V110-C138 WeakPolarHBondContact O-CB 3.44Å; V110-N139 PolarHBondContact N-OD1 2.91Å; V110-N139 PolarHBondContact O-N 3.3Å; V110-N139 PolarHBondContact O-OD1 3.45Å; V110-T140 PolarHBondContact O-N 3.4Å; V110-T140 VanDerWaalsContact O-N 3.1Å
111	D	98.6	Very high	97	Very high	18 Å²	18	47.3 Å²	47.3	10%	0.096	25%	0.247	C	C	.	.			trans	-88.6	175.3	172.5	69.5	21.5	0	0	0	112.2	V113 A114 G115 C138 T140 M142 R145	D111-V113 VanDerWaalsContact C-N 3.33Å; D111-V113 PolarHBondContact O-N 2.79Å; D111-V113 PolarHBondContact OD1-N 3.31Å; D111-A114 PolarHBondContact O-N 2.79Å; D111-A114 WeakPolarHBondContact OD1-CB 3.3Å; D111-A114 PolarHBondContact OD1-N 3.07Å; D111-G115 PolarHBondContact O-N 3.25Å; D111-C138 VanDerWaalsContact C-CB 3.5Å; D111-C138 WeakPolarHBondContact O-CB 3.39Å; D111-T140 VanDerWaalsContact CA-O 3.24Å; D111-T140 WeakPolarHBondContact CA-O 3.49Å; D111-T140 WeakPolarHBondContact CB-O 3.28Å; D111-M142 HydrophobicContact CB-CG 3.9Å; D111-R145 IonicContact OD1-CZ 3.48Å; D111-R145 IonicContact OD1-NH1 2.68Å; D111-R145 PolarHBondContact OD1-NH1 3.24Å; D111-R145 IonicContact OD1-NH2 3.68Å; D111-R145 VanDerWaalsContact OD2-CD 3.31Å; D111-R145 WeakPolarHBondContact OD2-CD 3.46Å; D111-R145 IonicContact OD2-CZ 3.13Å; D111-R145 IonicContact OD2-NE 3.26Å; D111-R145 PolarHBondContact OD2-NE 3.36Å; D111-R145 IonicContact OD2-NH1 2.76Å; D111-R145 PolarHBondContact OD2-NH1 3.18Å; D111-R145 IonicContact OD2-NH2 2.67Å
112	F	98.8	Very high	97.1	Very high	3 Å²	3	42.7 Å²	42.7	1%	0.013	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-49	-176.4	178.8	-93.6	0	0	0	112.8	G115 L116 Y136 M142 I156 F188 V190 I200	F112-G115 PolarHBondContact O-N 2.82Å; F112-L116 HydrophobicContact CE1-CD2 4.3Å; F112-L116 HydrophobicContact CZ-CD2 4.39Å; F112-L116 WeakPolarHBondContact O-CG 3.33Å; F112-L116 PolarHBondContact O-N 3.33Å; F112-Y136 AromaticContact CD2-CD2 3.87Å; F112-Y136 HydrophobicContact CD2-CD2 3.87Å; F112-Y136 HydrophobicContact CD2-CE2 4.34Å; F112-Y136 AromaticContact CD2-CG 3.97Å; F112-Y136 HydrophobicContact CD2-CG 3.97Å; F112-Y136 AromaticContact CE2-CD1 3.77Å; F112-Y136 HydrophobicContact CE2-CD1 3.77Å; F112-Y136 AromaticContact CE2-CD2 3.9Å; F112-Y136 HydrophobicContact CE2-CD2 3.9Å; F112-Y136 HydrophobicContact CE2-CE1 4.12Å; F112-Y136 HydrophobicContact CE2-CE2 4.23Å; F112-Y136 AromaticContact CE2-CG 3.64Å; F112-Y136 HydrophobicContact CE2-CG 3.64Å; F112-Y136 HydrophobicContact CZ-CD1 4.49Å; F112-M142 HydrophobicContact CB-CG 4.42Å; F112-M142 HydrophobicContact CB-SD 4.01Å; F112-I156 HydrophobicContact CZ-CD1 4.16Å; F112-F188 HydrophobicContact CD1-CE2 4.26Å; F112-F188 AromaticContact CE1-CE2 3.84Å; F112-F188 HydrophobicContact CE1-CE2 3.84Å; F112-F188 HydrophobicContact CE1-CZ 4.09Å; F112-F188 HydrophobicContact CZ-CE2 4.48Å; F112-V190 HydrophobicContact CB-CB 3.81Å; F112-V190 HydrophobicContact CB-CG1 4.17Å; F112-V190 HydrophobicContact CB-CG2 4.04Å; F112-V190 HydrophobicContact CD1-CG2 3.95Å; F112-V190 HydrophobicContact CD2-CB 4.35Å; F112-V190 HydrophobicContact CD2-CG1 4.13Å; F112-V190 HydrophobicContact CD2-CG2 4.06Å; F112-V190 HydrophobicContact CE1-CG2 4.41Å; F112-V190 HydrophobicContact CG-CB 4.04Å; F112-V190 HydrophobicContact CG-CG1 4.3Å; F112-V190 HydrophobicContact CG-CG2 3.75Å; F112-I200 HydrophobicContact CE1-CD1 4.37Å; F112-I200 HydrophobicContact CE2-CD1 4.28Å; F112-I200 HydrophobicContact CZ-CD1 3.59Å
113	V	98.4	Very high	97.1	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.036	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-43.6	-176.9	178.7	0	0	0	0	111.3	D111 G115 L116 M142 F147 I246 L253	D111-V113 VanDerWaalsContact C-N 3.33Å; D111-V113 PolarHBondContact O-N 2.79Å; D111-V113 PolarHBondContact OD1-N 3.31Å; V113-G115 PolarHBondContact O-N 2.82Å; V113-L116 PolarHBondContact O-N 3.26Å; V113-M142 HydrophobicContact CG2-CE 3.71Å; V113-M142 HydrophobicContact CG2-SD 4.05Å; V113-F147 HydrophobicContact CG1-CD2 3.94Å; V113-F147 HydrophobicContact CG1-CE2 4.21Å; V113-F147 HydrophobicContact CG2-CB 3.66Å; V113-F147 HydrophobicContact CG2-CD2 3.78Å; V113-F147 HydrophobicContact CG2-CG 3.83Å; V113-I246 HydrophobicContact CG1-CG2 4.4Å; V113-L253 HydrophobicContact CG1-CD1 4.28Å
114	A	98.1	Very high	97.2	Very high	64 Å²	64	44.9 Å²	44.9	53%	0.529	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-24.5	178.1	0	0	0	0	0	112.8	V110 D111	V110-A114 HydrophobicContact CG1-CB 4.06Å; D111-A114 PolarHBondContact O-N 2.79Å; D111-A114 WeakPolarHBondContact OD1-CB 3.3Å; D111-A114 PolarHBondContact OD1-N 3.07Å
115	G	98.1	Very high	97.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	8.3	177	0	0	0	0	0	114.5	D111 F112 V113 H117 Y136 T137	D111-G115 PolarHBondContact O-N 3.25Å; F112-G115 PolarHBondContact O-N 2.82Å; V113-G115 PolarHBondContact O-N 2.82Å; G115-H117 PolarHBondContact O-CD2 2.83Å; G115-Y136 CarbonylContact O-C 3.54Å; G115-Y136 VanDerWaalsContact O-CA 3.26Å; G115-Y136 WeakPolarHBondContact O-CA 3.5Å; G115-T137 VanDerWaalsContact CA-O 3.31Å; G115-T137 WeakPolarHBondContact CA-O 3.32Å; G115-T137 PolarHBondContact O-N 3.1Å
116	L	98.7	Very high	97.6	Very high	3 Å²	3	44 Å²	44	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	126.5	175.4	-72.1	170.2	0	0	0	111.3	L81 F112 V113 I200	L81-L116 HydrophobicContact CD1-CB 4.01Å; L81-L116 HydrophobicContact CD1-CD1 3.95Å; L81-L116 HydrophobicContact CD2-CB 3.7Å; L81-L116 HydrophobicContact CD2-CD1 4.4Å; L81-L116 HydrophobicContact CG-CB 3.83Å; F112-L116 HydrophobicContact CE1-CD2 4.3Å; F112-L116 HydrophobicContact CZ-CD2 4.39Å; F112-L116 WeakPolarHBondContact O-CG 3.33Å; F112-L116 PolarHBondContact O-N 3.33Å; V113-L116 PolarHBondContact O-N 3.26Å; L116-I200 HydrophobicContact CD2-CD1 3.46Å; L116-I200 VanDerWaalsContact CD2-CD1 3.46Å
117	H	98.8	Very high	97.8	Very high	26 Å²	26	42.4 Å²	42.4	12%	0.12	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	122.4	177.2	-59.3	-91.7	0	0	0	110	N80 G115 H134 V135 W411	N80-H117 HydrophobicContact CB-CB 4.27Å; N80-H117 WeakPolarHBondContact CB-ND1 3.36Å; N80-H117 PolarHBondContact ND2-CE1 3.21Å; N80-H117 PolarHBondContact ND2-ND1 3.39Å; G115-H117 PolarHBondContact O-CD2 2.83Å; H117-H134 CarbonylContact O-C 3.57Å; H117-H134 WeakPolarHBondContact O-CA 3.4Å; H117-H134 WeakPolarHBondContact O-CB 3.34Å; H117-V135 HydrophobicContact CB-CG1 3.93Å; H117-V135 PolarHBondContact N-O 3.36Å; H117-V135 PolarHBondContact O-N 2.91Å; H117-W411 HydrophobicContact CB-CD2 3.79Å; H117-W411 HydrophobicContact CB-CE3 3.74Å; H117-W411 HydrophobicContact CB-CH2 3.5Å; H117-W411 VanDerWaalsContact CB-CH2 3.5Å; H117-W411 HydrophobicContact CB-CZ2 3.54Å; H117-W411 HydrophobicContact CB-CZ3 3.59Å; H117-W411 AromaticContact CE1-NE1 3.88Å; H117-W411 AromaticContact CG-CE2 3.65Å; H117-W411 AromaticContact CG-CH2 3.97Å; H117-W411 AromaticContact CG-CZ2 3.51Å; H117-W411 AromaticContact ND1-CD1 3.9Å; H117-W411 AromaticContact ND1-CE2 3.32Å; H117-W411 VanDerWaalsContact ND1-CE2 3.32Å; H117-W411 AromaticContact ND1-CZ2 3.58Å; H117-W411 AromaticContact ND1-NE1 3.24Å; H117-W411 PolarHBondContact ND1-NE1 2.81Å
118	T	98.9	Very high	97.9	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	123	177.5	-49.1	0	0	0	0	109.7	N80 T82 W85 H134 T409	N80-T118 PolarHBondContact O-N 2.76Å; N80-T118 PolarHBondContact O-OG1 2.67Å; T82-T118 PolarHBondContact N-OG1 3.04Å; T82-T118 WeakPolarHBondContact O-CG2 3.39Å; W85-T118 HydrophobicContact CH2-CG2 3.92Å; W85-T118 HydrophobicContact CZ3-CG2 3.93Å; T118-H134 PolarHBondContact OG1-CE1 3.39Å; T118-H134 PolarHBondContact OG1-ND1 2.89Å; T118-T409 HydrophobicContact CG2-CG2 3.86Å; T118-T409 WeakPolarHBondContact O-CG2 3.5Å; T118-T409 PolarHBondContact O-OG1 2.78Å
119	I	98.8	Very high	98	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-55.6	179.4	-63.2	160.8	0	0	0	109.9	W97 F100 I133 V135 F342 V408 T409 W411	W97-I119 HydrophobicContact CH2-CG2 3.91Å; W97-I119 HydrophobicContact CZ2-CG2 3.91Å; W97-I119 HydrophobicContact CZ3-CG2 4.27Å; F100-I119 HydrophobicContact CE2-CD1 3.86Å; F100-I119 HydrophobicContact CZ-CD1 3.74Å; F100-I119 HydrophobicContact CZ-CG1 4.02Å; I119-I133 HydrophobicContact CD1-CG2 4.3Å; I119-I133 PolarHBondContact N-O 2.95Å; I119-V135 HydrophobicContact CD1-CB 4.03Å; I119-V135 HydrophobicContact CD1-CG1 4.18Å; I119-V135 HydrophobicContact CG1-CG1 4.27Å; I119-F342 HydrophobicContact CD1-CE2 4.08Å; I119-F342 HydrophobicContact CD1-CZ 3.86Å; I119-F342 HydrophobicContact CG2-CE2 4.13Å; I119-V408 WeakPolarHBondContact O-CG2 3.49Å; I119-T409 PolarHBondContact O-N 3.4Å; I119-T409 PolarHBondContact O-OG1 2.76Å; I119-W411 HydrophobicContact CG1-CE3 4.49Å; I119-W411 HydrophobicContact CG1-CZ3 3.75Å
120	C	98.8	Very high	98	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	169.2	-176	61.1	0	0	0	0	110.1	I133 L364 M406 A407	C120-I133 PolarHBondContact N-O 2.62Å; C120-I133 PolarHBondContact O-N 2.73Å; C120-L364 HydrophobicContact CB-CD2 4.32Å; C120-M406 HydrophobicContact CB-CB 4.47Å; C120-A407 CarbonylContact C-O 3.59Å; C120-A407 WeakPolarHBondContact CA-O 3.5Å; C120-A407 WeakPolarHBondContact CB-O 3.24Å
121	G	98.6	Very high	98.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.7	-176.2	178	0	0	0	0	0	111.5	I131 M406 A407	G121-I131 VanDerWaalsContact CA-O 3.32Å; G121-I131 WeakPolarHBondContact CA-O 3.43Å; G121-M406 WeakPolarHBondContact O-CA 3.36Å; G121-A407 PolarHBondContact N-O 3.22Å; G121-A407 PolarHBondContact O-N 3.43Å
122	A	98.4	Very high	98.1	Very high	10 Å²	10	31.5 Å²	31.5	8%	0.083	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	161.2	176.7	0	0	0	0	0	110.8	G130 I131 F404	A122-G130 CarbonylContact O-C 3.56Å; A122-G130 WeakPolarHBondContact O-CA 3.13Å; A122-I131 PolarHBondContact N-O 3.33Å; A122-I131 PolarHBondContact O-N 3.01Å; A122-I131 VanDerWaalsContact O-O 3.12Å; A122-F404 HydrophobicContact CB-CB 3.5Å; A122-F404 VanDerWaalsContact CB-CB 3.5Å; A122-F404 HydrophobicContact CB-CG 4.11Å
123	G	97.5	Very high	98.1	Very high	30 Å²	30	31.3 Å²	31.3	31%	0.309	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	88.4	-159.9	179	0	0	0	0	0	113.6	W85 N129	W85-G123 PolarHBondContact NE1-O 3.25Å; G123-N129 CarbonylContact C-O 3.59Å; G123-N129 VanDerWaalsContact CA-O 3.32Å; G123-N129 WeakPolarHBondContact CA-O 3.27Å
124	D	97.1	Very high	98.1	Very high	61 Å²	61	31.1 Å²	31.1	33%	0.326	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	117.4	-175.1	-178.8	-1.1	0	0	0	110.6	K126 T127 R128 N129	D124-K126 PolarHBondContact O-N 3.48Å; D124-K126 VanDerWaalsContact OD1-CB 3.25Å; D124-K126 WeakPolarHBondContact OD1-CB 3.32Å; D124-K126 WeakPolarHBondContact OD1-CG 3.24Å; D124-K126 PolarHBondContact OD1-N 2.99Å; D124-T127 HydrophobicContact CB-CG2 4.32Å; D124-T127 CarbonylContact O-C 3.5Å; D124-T127 PolarHBondContact O-N 2.8Å; D124-T127 PolarHBondContact O-OG1 2.76Å; D124-R128 PolarHBondContact O-N 2.89Å; D124-R128 VanDerWaalsContact O-N 3.14Å; D124-N129 PolarHBondContact N-O 3Å; D124-N129 PolarHBondContact O-N 3.36Å
125	A	96.5	Very high	98.2	Very high	5 Å²	5	28.1 Å²	28.1	4%	0.041	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-58.1	-28.8	176.9	0	0	0	0	0	112.6	E83 T127 R128 D151 Y204	E83-A125 WeakPolarHBondContact OE2-CB 3.34Å; A125-T127 PolarHBondContact O-N 3.44Å; A125-R128 PolarHBondContact O-N 3.16Å; A125-D151 HydrophobicContact CB-CB 3.97Å; A125-Y204 HydrophobicContact CB-CD1 4.16Å; A125-Y204 HydrophobicContact CB-CE1 4.19Å; A125-Y204 HydrophobicContact CB-CG 4.34Å
126	K	97.5	Very high	98.2	Very high	138 Å²	138	28.1 Å²	28.1	60%	0.6	14%	0.143	S	C	*	.	G	3₁₀ helix	trans	-65.1	-30.7	175.5	-62.3	173.5	-178.8	170.8	0	112.5	D124 Q250	D124-K126 PolarHBondContact O-N 3.48Å; D124-K126 VanDerWaalsContact OD1-CB 3.25Å; D124-K126 WeakPolarHBondContact OD1-CB 3.32Å; D124-K126 WeakPolarHBondContact OD1-CG 3.24Å; D124-K126 PolarHBondContact OD1-N 2.99Å; K126-Q250 HydrophobicContact CG-CB 4.09Å; K126-Q250 HydrophobicContact CG-CG 4.06Å
127	T	96.8	Very high	98.2	Very high	91 Å²	91	28.1 Å²	28.1	56%	0.558	14%	0.143	S	C	*	.	G	3₁₀ helix	trans	-92.5	-2.4	174.6	67.8	0	0	0	0	112.9	D124 A125 N129	D124-T127 HydrophobicContact CB-CG2 4.32Å; D124-T127 CarbonylContact O-C 3.5Å; D124-T127 PolarHBondContact O-N 2.8Å; D124-T127 PolarHBondContact O-OG1 2.76Å; A125-T127 PolarHBondContact O-N 3.44Å; T127-N129 VanDerWaalsContact C-N 3.31Å; T127-N129 PolarHBondContact O-N 3.15Å
128	R	96.2	Very high	98.2	Very high	165 Å²	165	26.9 Å²	26.9	62%	0.623	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	47.8	-175.9	-57.3	-179.4	174.2	-168.5	-3.8	111.8	D124 A125 Y204 G205	D124-R128 PolarHBondContact O-N 2.89Å; D124-R128 VanDerWaalsContact O-N 3.14Å; A125-R128 PolarHBondContact O-N 3.16Å; R128-Y204 CarbonylContact C-O 3.6Å; R128-G205 WeakPolarHBondContact O-CA 3.45Å
129	N	97.8	Very high	98.1	Very high	57 Å²	57	27.4 Å²	27.4	31%	0.305	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	121	179	179.4	66	0	0	0	110.2	G123 D124 T127 F404	G123-N129 CarbonylContact C-O 3.59Å; G123-N129 VanDerWaalsContact CA-O 3.32Å; G123-N129 WeakPolarHBondContact CA-O 3.27Å; D124-N129 PolarHBondContact N-O 3Å; D124-N129 PolarHBondContact O-N 3.36Å; T127-N129 VanDerWaalsContact C-N 3.31Å; T127-N129 PolarHBondContact O-N 3.15Å; N129-F404 WeakPolarHBondContact ND2-CZ 3.2Å
130	G	98.3	Very high	98.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	135.6	-168.9	-179.4	0	0	0	0	0	112.7	A122 Y204	A122-G130 CarbonylContact O-C 3.56Å; A122-G130 WeakPolarHBondContact O-CA 3.13Å; G130-Y204 WeakPolarHBondContact O-CD2 3.5Å; G130-Y204 PolarHBondContact O-N 3.39Å
131	I	98.8	Very high	98.1	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	159.5	-179.1	65	162.4	0	0	0	111.7	G121 A122 L201 E202 V203 I312 A313 S402 M406	G121-I131 VanDerWaalsContact CA-O 3.32Å; G121-I131 WeakPolarHBondContact CA-O 3.43Å; A122-I131 PolarHBondContact N-O 3.33Å; A122-I131 PolarHBondContact O-N 3.01Å; A122-I131 VanDerWaalsContact O-O 3.12Å; I131-L201 HydrophobicContact CB-CD1 4.36Å; I131-L201 HydrophobicContact CD1-CD1 4.33Å; I131-E202 CarbonylContact C-O 3.6Å; I131-E202 WeakPolarHBondContact CA-O 3.46Å; I131-E202 WeakPolarHBondContact CB-O 3.49Å; I131-V203 HydrophobicContact CG2-CG1 3.99Å; I131-I312 HydrophobicContact CG2-CB 4.41Å; I131-I312 HydrophobicContact CG2-CD1 4.44Å; I131-A313 HydrophobicContact CG2-CB 4.2Å; I131-S402 VanDerWaalsContact CD1-CB 3.41Å; I131-S402 VanDerWaalsContact CD1-OG 3.31Å; I131-S402 WeakPolarHBondContact CD1-OG 3.24Å; I131-M406 HydrophobicContact CD1-CG 3.99Å; I131-M406 HydrophobicContact CD1-SD 3.65Å
132	G	98.8	Very high	98.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	139.8	165.9	0	0	0	0	0	110.2	E202	G132-E202 PolarHBondContact N-O 2.81Å; G132-E202 PolarHBondContact O-N 3.43Å
133	I	98.9	Very high	98.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.9	171.4	-62.5	179	0	0	0	108.1	I119 C120 I200 L201 F342 F400 M406	I119-I133 HydrophobicContact CD1-CG2 4.3Å; I119-I133 PolarHBondContact N-O 2.95Å; C120-I133 PolarHBondContact N-O 2.62Å; C120-I133 PolarHBondContact O-N 2.73Å; I133-I200 WeakPolarHBondContact CA-O 3.15Å; I133-L201 HydrophobicContact CG1-CD1 4.07Å; I133-F342 HydrophobicContact CD1-CB 3.45Å; I133-F342 VanDerWaalsContact CD1-CB 3.45Å; I133-F342 HydrophobicContact CD1-CD1 4.01Å; I133-F342 HydrophobicContact CD1-CD2 4.3Å; I133-F342 HydrophobicContact CD1-CG 3.66Å; I133-F342 HydrophobicContact CG2-CD1 3.95Å; I133-F342 HydrophobicContact CG2-CD2 4.32Å; I133-F342 HydrophobicContact CG2-CE1 3.85Å; I133-F342 HydrophobicContact CG2-CE2 4.23Å; I133-F342 HydrophobicContact CG2-CG 4.19Å; I133-F342 HydrophobicContact CG2-CZ 4Å; I133-F400 HydrophobicContact CD1-CB 3.9Å; I133-F400 HydrophobicContact CD1-CD2 3.97Å; I133-F400 HydrophobicContact CD1-CG 4.43Å; I133-F400 HydrophobicContact CG1-CD2 4.13Å; I133-F400 HydrophobicContact CG2-CD2 4.08Å; I133-F400 HydrophobicContact CG2-CE2 4.38Å; I133-M406 HydrophobicContact CD1-CE 4.22Å; I133-M406 HydrophobicContact CD1-SD 3.41Å; I133-M406 WeakPolarHBondContact CD1-SD 3.48Å; I133-M406 HydrophobicContact CG1-SD 4.3Å
134	H	98.9	Very high	98.2	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	155.9	-179.5	-36.8	-84.6	0	0	0	110.9	H117 T118 Y199 I200 E202	H117-H134 CarbonylContact O-C 3.57Å; H117-H134 WeakPolarHBondContact O-CA 3.4Å; H117-H134 WeakPolarHBondContact O-CB 3.34Å; T118-H134 PolarHBondContact OG1-CE1 3.39Å; T118-H134 PolarHBondContact OG1-ND1 2.89Å; H134-Y199 CarbonylContact O-C 3.48Å; H134-Y199 WeakPolarHBondContact O-CA 3.36Å; H134-I200 HydrophobicContact CB-CB 4.18Å; H134-I200 PolarHBondContact N-O 2.83Å; H134-I200 PolarHBondContact O-N 3.14Å; H134-E202 IonicContact CE1-OE2 3.6Å; H134-E202 WeakPolarHBondContact NE2-CB 3.27Å; H134-E202 IonicContact NE2-OE2 3.65Å; H134-E202 PolarHBondContact NE2-OE2 2.94Å
135	V	98.9	Very high	98.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	142.6	157.9	63	0	0	0	0	107.7	F100 H117 I119 T137 R197 G198 W411	F100-V135 HydrophobicContact CB-CG1 4.45Å; F100-V135 HydrophobicContact CB-CG2 4.16Å; F100-V135 HydrophobicContact CD1-CG1 4.26Å; F100-V135 HydrophobicContact CD2-CB 4.12Å; F100-V135 HydrophobicContact CD2-CG1 4.07Å; F100-V135 HydrophobicContact CD2-CG2 3.77Å; F100-V135 HydrophobicContact CE2-CB 4.41Å; F100-V135 HydrophobicContact CE2-CG1 4.39Å; F100-V135 HydrophobicContact CE2-CG2 4.48Å; F100-V135 HydrophobicContact CG-CB 4.5Å; F100-V135 HydrophobicContact CG-CG1 4.01Å; F100-V135 HydrophobicContact CG-CG2 4.14Å; H117-V135 HydrophobicContact CB-CG1 3.93Å; H117-V135 PolarHBondContact N-O 3.36Å; H117-V135 PolarHBondContact O-N 2.91Å; I119-V135 HydrophobicContact CD1-CB 4.03Å; I119-V135 HydrophobicContact CD1-CG1 4.18Å; I119-V135 HydrophobicContact CG1-CG1 4.27Å; V135-T137 HydrophobicContact CG2-CG2 4.24Å; V135-R197 HydrophobicContact CG2-CG 4.04Å; V135-G198 WeakPolarHBondContact CA-O 3.25Å; V135-G198 WeakPolarHBondContact CG2-O 3.05Å; V135-W411 HydrophobicContact CG1-CH2 3.42Å; V135-W411 VanDerWaalsContact CG1-CH2 3.42Å; V135-W411 HydrophobicContact CG1-CZ2 4.44Å; V135-W411 HydrophobicContact CG1-CZ3 3.81Å
136	Y	98.8	Very high	98.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134.8	166.5	65.6	-89.7	0	0	0	109.7	F112 G115 I156 P158 T196 R197 G198 I200	F112-Y136 AromaticContact CD2-CD2 3.87Å; F112-Y136 HydrophobicContact CD2-CD2 3.87Å; F112-Y136 HydrophobicContact CD2-CE2 4.34Å; F112-Y136 AromaticContact CD2-CG 3.97Å; F112-Y136 HydrophobicContact CD2-CG 3.97Å; F112-Y136 AromaticContact CE2-CD1 3.77Å; F112-Y136 HydrophobicContact CE2-CD1 3.77Å; F112-Y136 AromaticContact CE2-CD2 3.9Å; F112-Y136 HydrophobicContact CE2-CD2 3.9Å; F112-Y136 HydrophobicContact CE2-CE1 4.12Å; F112-Y136 HydrophobicContact CE2-CE2 4.23Å; F112-Y136 AromaticContact CE2-CG 3.64Å; F112-Y136 HydrophobicContact CE2-CG 3.64Å; F112-Y136 HydrophobicContact CZ-CD1 4.49Å; G115-Y136 CarbonylContact O-C 3.54Å; G115-Y136 VanDerWaalsContact O-CA 3.26Å; G115-Y136 WeakPolarHBondContact O-CA 3.5Å; Y136-I156 HydrophobicContact CE1-CG2 3.75Å; Y136-P158 VanDerWaalsContact OH-CA 3.28Å; Y136-P158 WeakPolarHBondContact OH-CA 3.48Å; Y136-T196 HydrophobicContact CE2-CG2 3.79Å; Y136-R197 VanDerWaalsContact O-CA 3.25Å; Y136-R197 WeakPolarHBondContact O-CA 3.27Å; Y136-G198 VanDerWaalsContact CD1-C 3.47Å; Y136-G198 VanDerWaalsContact CD1-O 3.31Å; Y136-G198 WeakPolarHBondContact CD1-O 3.36Å; Y136-G198 VanDerWaalsContact CZ-CA 3.44Å; Y136-G198 PolarHBondContact N-O 3.19Å; Y136-G198 PolarHBondContact O-N 2.97Å; Y136-I200 HydrophobicContact CD1-CD1 4.03Å; Y136-I200 HydrophobicContact CD1-CG1 3.89Å; Y136-I200 HydrophobicContact CE1-CG1 4.38Å
137	T	98.5	Very high	98.4	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.025	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	112	170.8	58.9	0	0	0	0	110.1	F100 I101 I102 G115 V135 T196 R197	F100-T137 HydrophobicContact CB-CG2 4.27Å; I101-T137 WeakPolarHBondContact O-CG2 3.49Å; I101-T137 PolarHBondContact O-OG1 2.78Å; I102-T137 HydrophobicContact CG1-CG2 4.25Å; G115-T137 VanDerWaalsContact CA-O 3.31Å; G115-T137 WeakPolarHBondContact CA-O 3.32Å; G115-T137 PolarHBondContact O-N 3.1Å; V135-T137 HydrophobicContact CG2-CG2 4.24Å; T137-T196 WeakPolarHBondContact CA-O 3.3Å; T137-R197 HydrophobicContact CG2-CB 4.26Å; T137-R197 HydrophobicContact CG2-CG 3.91Å
138	C	98.6	Very high	98.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	167.6	-171.9	60.6	0	0	0	0	112	I102 V110 D111 T196	I102-C138 WeakPolarHBondContact CG2-O 3.46Å; V110-C138 WeakPolarHBondContact O-CA 3.26Å; V110-C138 WeakPolarHBondContact O-CB 3.44Å; D111-C138 VanDerWaalsContact C-CB 3.5Å; D111-C138 WeakPolarHBondContact O-CB 3.39Å; C138-T196 PolarHBondContact N-O 2.96Å; C138-T196 PolarHBondContact O-N 2.69Å
139	N	98.4	Very high	98.6	Very high	12 Å²	12	18.3 Å²	18.3	6%	0.064	10%	0.102	C	C	.	.			trans	-148.1	0.8	-174.5	63.8	38.1	0	0	0	114.4	P103 K108 K109 V110	P103-N139 PolarHBondContact O-ND2 3.43Å; K108-N139 PolarHBondContact O-ND2 2.9Å; K109-N139 WeakPolarHBondContact CA-OD1 3.41Å; V110-N139 PolarHBondContact N-OD1 2.91Å; V110-N139 PolarHBondContact O-N 3.3Å; V110-N139 PolarHBondContact O-OD1 3.45Å
140	T	98.6	Very high	98.7	Very high	42 Å²	42	17.2 Å²	17.2	26%	0.258	10%	0.098	S	C	.	.	S	Bend	trans	-140.2	138.5	-176.9	-52.3	0	0	0	0	109.3	K109 V110 D111 V192	K109-T140 VanDerWaalsContact CD-OG1 3.24Å; K109-T140 WeakPolarHBondContact CD-OG1 3.39Å; V110-T140 PolarHBondContact O-N 3.4Å; V110-T140 VanDerWaalsContact O-N 3.1Å; D111-T140 VanDerWaalsContact CA-O 3.24Å; D111-T140 WeakPolarHBondContact CA-O 3.49Å; D111-T140 WeakPolarHBondContact CB-O 3.28Å; T140-V192 WeakPolarHBondContact O-CG2 3.49Å
141	S	98.8	Very high	98.7	Very high	32 Å²	32	17.5 Å²	17.5	22%	0.224	10%	0.1	C	C	.	.			trans	-60.4	153.1	173.8	-68.7	0	0	0	0	112.2	V143 D191 V192	S141-V143 PolarHBondContact O-N 3.05Å; S141-D191 WeakPolarHBondContact CB-OD1 3.24Å; S141-D191 WeakPolarHBondContact OG-CA 3.44Å; S141-D191 PolarHBondContact OG-OD1 3.12Å; S141-V192 PolarHBondContact OG-N 2.89Å; S141-V192 VanDerWaalsContact OG-N 3.14Å; S141-V192 PolarHBondContact OG-O 3.45Å
142	M	98.8	Very high	98.7	Very high	7 Å²	7	17.6 Å²	17.6	3%	0.034	10%	0.101	C	C	.	.			trans	-70.7	118.9	166.4	-68	175.3	66	0	0	109.8	D111 F112 V113 R145 F147 S189 V190	D111-M142 HydrophobicContact CB-CG 3.9Å; F112-M142 HydrophobicContact CB-CG 4.42Å; F112-M142 HydrophobicContact CB-SD 4.01Å; V113-M142 HydrophobicContact CG2-CE 3.71Å; V113-M142 HydrophobicContact CG2-SD 4.05Å; M142-R145 HydrophobicContact CB-CG 3.98Å; M142-R145 HydrophobicContact CE-CG 4Å; M142-R145 HydrophobicContact CG-CG 4.48Å; M142-F147 HydrophobicContact CE-CB 4.16Å; M142-S189 VanDerWaalsContact CB-OG 3.27Å; M142-S189 WeakPolarHBondContact CB-OG 3.4Å; M142-V190 PolarHBondContact N-O 3.05Å; M142-V190 HydrophobicContact SD-CB 3.98Å; M142-V190 HydrophobicContact SD-CG2 4.16Å; M142-V190 PolarHBondContact SD-N 2.95Å; M142-V190 VanDerWaalsContact SD-N 3.37Å
143	V	98.1	Very high	98.7	Very high	103 Å²	103	17.6 Å²	17.6	62%	0.624	10%	0.101	S	C	*	.			trans	-111.4	126.4	-179.7	-177.3	0	0	0	0	109.7	S141 R145	S141-V143 PolarHBondContact O-N 3.05Å; V143-R145 PolarHBondContact O-N 3.14Å
144	D	98.3	Very high	98.7	Very high	52 Å²	52	17.7 Å²	17.7	28%	0.278	10%	0.101	S	C	.	.	S	Bend	trans	48.9	34.5	180	-66.2	-30.2	0	0	0	114.2	R237 V239 Y243 S244	D144-R237 IonicContact OD1-CZ 2.79Å; D144-R237 IonicContact OD1-NH1 3.94Å; D144-R237 PolarHBondContact OD1-NH1 2.79Å; D144-R237 IonicContact OD1-NH2 3.85Å; D144-R237 PolarHBondContact OD1-NH2 2.97Å; D144-V239 HydrophobicContact CB-CG1 4.31Å; D144-Y243 HydrophobicContact CB-CD2 4.31Å; D144-Y243 WeakPolarHBondContact O-CA 3.21Å; D144-S244 PolarHBondContact O-N 2.68Å
145	R	98.7	Very high	98.7	Very high	53 Å²	53	17.6 Å²	17.6	20%	0.2	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	149	174	66.2	-174.7	-77.1	-168.7	-4.7	112.2	D111 M142 V143 S189 Y243 S244 I246	D111-R145 IonicContact OD1-CZ 3.48Å; D111-R145 IonicContact OD1-NH1 2.68Å; D111-R145 PolarHBondContact OD1-NH1 3.24Å; D111-R145 IonicContact OD1-NH2 3.68Å; D111-R145 VanDerWaalsContact OD2-CD 3.31Å; D111-R145 WeakPolarHBondContact OD2-CD 3.46Å; D111-R145 IonicContact OD2-CZ 3.13Å; D111-R145 IonicContact OD2-NE 3.26Å; D111-R145 PolarHBondContact OD2-NE 3.36Å; D111-R145 IonicContact OD2-NH1 2.76Å; D111-R145 PolarHBondContact OD2-NH1 3.18Å; D111-R145 IonicContact OD2-NH2 2.67Å; M142-R145 HydrophobicContact CB-CG 3.98Å; M142-R145 HydrophobicContact CE-CG 4Å; M142-R145 HydrophobicContact CG-CG 4.48Å; V143-R145 PolarHBondContact O-N 3.14Å; R145-S189 PolarHBondContact O-OG 2.92Å; R145-Y243 VanDerWaalsContact C-CZ 3.46Å; R145-Y243 PolarHBondContact O-OH 2.87Å; R145-S244 CarbonylContact C-O 3.33Å; R145-S244 WeakPolarHBondContact CA-O 3.17Å; R145-S244 WeakPolarHBondContact CB-O 3.46Å; R145-I246 VanDerWaalsContact NE-CD1 3.27Å
146	C	98.9	Very high	98.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	168.1	168.1	71.7	0	0	0	0	110	F188 Y243 S244 I246 P262 F263	C146-F188 CarbonylContact C-O 3.5Å; C146-F188 VanDerWaalsContact CA-O 3.28Å; C146-F188 WeakPolarHBondContact CA-O 3.28Å; C146-F188 WeakPolarHBondContact CB-O 3.13Å; C146-Y243 HydrophobicContact CB-CE1 3.88Å; C146-Y243 WeakPolarHBondContact CB-OH 3.31Å; C146-Y243 PolarHBondContact N-OH 3.4Å; C146-S244 PolarHBondContact N-O 3.25Å; C146-I246 PolarHBondContact O-N 2.69Å; C146-P262 HydrophobicContact CB-CG 4.08Å; C146-F263 HydrophobicContact CB-CZ 3.86Å
147	F	98.9	Very high	98.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.3	171	-175	-102.2	0	0	0	109.6	V113 M142 N149 F154 R187 F188 I246 K248 L253	V113-F147 HydrophobicContact CG1-CD2 3.94Å; V113-F147 HydrophobicContact CG1-CE2 4.21Å; V113-F147 HydrophobicContact CG2-CB 3.66Å; V113-F147 HydrophobicContact CG2-CD2 3.78Å; V113-F147 HydrophobicContact CG2-CG 3.83Å; M142-F147 HydrophobicContact CE-CB 4.16Å; F147-N149 HydrophobicContact CE1-CB 4.01Å; F147-F154 HydrophobicContact CD1-CE2 4.31Å; F147-F154 HydrophobicContact CE1-CD2 4.49Å; F147-F154 AromaticContact CE1-CE2 3.53Å; F147-F154 HydrophobicContact CE1-CE2 3.53Å; F147-F154 HydrophobicContact CE1-CZ 4.07Å; F147-F154 HydrophobicContact CZ-CE2 4.33Å; F147-F154 HydrophobicContact CZ-CZ 4.49Å; F147-R187 WeakPolarHBondContact O-CA 3.46Å; F147-F188 HydrophobicContact CB-CE1 4.39Å; F147-F188 HydrophobicContact CB-CZ 4.36Å; F147-F188 AromaticContact CD1-CE1 3.58Å; F147-F188 HydrophobicContact CD1-CE1 3.58Å; F147-F188 AromaticContact CD1-CZ 3.58Å; F147-F188 HydrophobicContact CD1-CZ 3.58Å; F147-F188 HydrophobicContact CE1-CE1 4.4Å; F147-F188 HydrophobicContact CE1-CZ 4.39Å; F147-F188 HydrophobicContact CG-CE1 4.48Å; F147-F188 HydrophobicContact CG-CZ 4.43Å; F147-F188 PolarHBondContact N-O 3.42Å; F147-F188 VanDerWaalsContact O-CD1 3.28Å; F147-F188 WeakPolarHBondContact O-CD1 3.2Å; F147-F188 PolarHBondContact O-N 2.92Å; F147-I246 CarbonylContact C-O 3.58Å; F147-I246 VanDerWaalsContact CA-O 3.25Å; F147-I246 WeakPolarHBondContact CA-O 3.47Å; F147-I246 HydrophobicContact CD2-CB 4.09Å; F147-I246 HydrophobicContact CD2-CG2 3.76Å; F147-I246 HydrophobicContact CE2-CG2 4.1Å; F147-K248 HydrophobicContact CE1-CB 4.48Å; F147-K248 HydrophobicContact CE2-CB 3.89Å; F147-K248 HydrophobicContact CZ-CB 3.48Å; F147-K248 VanDerWaalsContact CZ-CB 3.48Å; F147-K248 HydrophobicContact CZ-CD 4.37Å; F147-L253 HydrophobicContact CE2-CD2 3.86Å; F147-L253 HydrophobicContact CZ-CD2 4.49Å
148	N	98.4	Very high	98.7	Very high	13 Å²	13	17.5 Å²	17.5	7%	0.07	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	147	163.9	76.7	-82.3	0	0	0	108.7	M186 R187 I246 N247 K248	N148-M186 WeakPolarHBondContact CB-O 3.48Å; N148-R187 HydrophobicContact CB-CG 4Å; N148-I246 PolarHBondContact N-O 2.86Å; N148-I246 PolarHBondContact OD1-O 3.44Å; N148-N247 PolarHBondContact ND2-OD1 3.5Å; N148-N247 WeakPolarHBondContact O-CA 3.39Å; N148-N247 PolarHBondContact O-OD1 3.18Å; N148-N247 WeakPolarHBondContact OD1-CB 3.44Å; N148-K248 PolarHBondContact O-N 3.01Å
149	N	98.8	Very high	98.7	Very high	7 Å²	7	18.4 Å²	18.4	4%	0.037	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	114.2	177.3	-170	-0.4	0	0	0	110	F147 D151 G152 F154 Q184 G185 E202	F147-N149 HydrophobicContact CE1-CB 4.01Å; N149-D151 VanDerWaalsContact C-N 3.34Å; N149-D151 WeakPolarHBondContact OD1-CB 3.41Å; N149-D151 PolarHBondContact OD1-N 3.19Å; N149-G152 PolarHBondContact ND2-O 3.26Å; N149-F154 WeakPolarHBondContact ND2-CE1 3.46Å; N149-F154 WeakPolarHBondContact ND2-CZ 3.41Å; N149-Q184 CarbonylContact O-C 3.51Å; N149-G185 PolarHBondContact O-N 3.41Å; N149-E202 PolarHBondContact ND2-OE1 3.1Å; N149-E202 PolarHBondContact OD1-OE1 3.22Å
150	S	98.8	Very high	98.7	Very high	33 Å²	33	21 Å²	21	23%	0.231	12%	0.116	C	C	.	.	S	Bend	trans	-86.4	-4.1	175.9	-60.1	0	0	0	0	113.3	Q184 N247 K248	S150-Q184 PolarHBondContact O-NE2 3.37Å; S150-N247 VanDerWaalsContact OG-CG 3.27Å; S150-N247 PolarHBondContact OG-ND2 3.49Å; S150-N247 VanDerWaalsContact OG-ND2 3.1Å; S150-N247 PolarHBondContact OG-OD1 2.88Å; S150-K248 WeakPolarHBondContact CA-O 3.46Å; S150-K248 VanDerWaalsContact CB-O 3.26Å; S150-K248 WeakPolarHBondContact CB-O 3.41Å; S150-K248 PolarHBondContact N-O 2.83Å
151	D	98.6	Very high	98.7	Very high	7 Å²	7	20.3 Å²	20.3	4%	0.037	12%	0.117	C	C	.	.	S	Bend	trans	-96.8	-30.5	-173.8	-63.4	-24.9	0	0	0	113	A125 N149 Y204 K248 Q250 G251	A125-D151 HydrophobicContact CB-CB 3.97Å; N149-D151 VanDerWaalsContact C-N 3.34Å; N149-D151 WeakPolarHBondContact OD1-CB 3.41Å; N149-D151 PolarHBondContact OD1-N 3.19Å; D151-Y204 HydrophobicContact CB-CD1 4.23Å; D151-Y204 HydrophobicContact CB-CE1 4.29Å; D151-K248 WeakPolarHBondContact OD2-CG 3.39Å; D151-K248 IonicContact OD2-NZ 3.68Å; D151-K248 PolarHBondContact OD2-NZ 3.39Å; D151-Q250 VanDerWaalsContact CG-N 3.29Å; D151-Q250 WeakPolarHBondContact OD1-CA 3.5Å; D151-Q250 PolarHBondContact OD1-N 3.05Å; D151-Q250 PolarHBondContact OD2-N 3.08Å; D151-Q250 VanDerWaalsContact OD2-N 3.14Å; D151-G251 PolarHBondContact OD2-N 3.14Å
152	G	98.4	Very high	98.6	Very high	2 Å²	2	21.9 Å²	21.9	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.1	-173.7	-174.4	0	0	0	0	0	115.2	N149 Q184 V203	N149-G152 PolarHBondContact ND2-O 3.26Å; G152-Q184 WeakPolarHBondContact O-CA 3.01Å; G152-V203 WeakPolarHBondContact CA-O 3.36Å
153	D	98.9	Very high	98.6	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	141	175.3	-72.6	7.2	0	0	0	110.1	Q183 Q184 E202 V203 H207 F208	D153-Q183 VanDerWaalsContact OD1-CA 3.26Å; D153-Q183 WeakPolarHBondContact OD1-CA 3.02Å; D153-Q183 WeakPolarHBondContact OD1-CB 3.49Å; D153-Q184 PolarHBondContact OD1-N 3.32Å; D153-E202 WeakPolarHBondContact O-CA 3.26Å; D153-V203 HydrophobicContact CB-CG2 3.95Å; D153-V203 PolarHBondContact N-O 3.05Å; D153-V203 PolarHBondContact O-N 3.44Å; D153-V203 VanDerWaalsContact O-N 3.14Å; D153-H207 VanDerWaalsContact CG-ND1 3.34Å; D153-H207 IonicContact OD1-CE1 3.76Å; D153-H207 IonicContact OD1-ND1 3.77Å; D153-H207 PolarHBondContact OD1-ND1 2.82Å; D153-H207 WeakPolarHBondContact OD2-CA 3.21Å; D153-H207 IonicContact OD2-CE1 3.64Å; D153-H207 IonicContact OD2-CG 3.41Å; D153-H207 IonicContact OD2-ND1 2.84Å; D153-H207 PolarHBondContact OD2-ND1 3.37Å; D153-F208 HydrophobicContact CB-CD2 4.23Å; D153-F208 HydrophobicContact CB-CE2 4.16Å
154	F	98.9	Very high	98.7	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.009	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	123.5	169.7	-77	-19.8	0	0	0	111	F147 N149 I156 V181 I182 F188 I200 E202	F147-F154 HydrophobicContact CD1-CE2 4.31Å; F147-F154 HydrophobicContact CE1-CD2 4.49Å; F147-F154 AromaticContact CE1-CE2 3.53Å; F147-F154 HydrophobicContact CE1-CE2 3.53Å; F147-F154 HydrophobicContact CE1-CZ 4.07Å; F147-F154 HydrophobicContact CZ-CE2 4.33Å; F147-F154 HydrophobicContact CZ-CZ 4.49Å; N149-F154 WeakPolarHBondContact ND2-CE1 3.46Å; N149-F154 WeakPolarHBondContact ND2-CZ 3.41Å; F154-I156 HydrophobicContact CB-CG1 4.12Å; F154-V181 CarbonylContact O-C 3.46Å; F154-V181 VanDerWaalsContact O-CA 3.23Å; F154-V181 WeakPolarHBondContact O-CA 3.45Å; F154-I182 PolarHBondContact N-O 2.77Å; F154-I182 PolarHBondContact O-N 3.16Å; F154-F188 HydrophobicContact CD2-CZ 4.23Å; F154-I200 HydrophobicContact CB-CG2 3.9Å; F154-I200 HydrophobicContact CD1-CG2 3.54Å; F154-I200 HydrophobicContact CD2-CG2 4.36Å; F154-I200 HydrophobicContact CE1-CG2 4.04Å; F154-I200 HydrophobicContact CG-CG2 3.71Å; F154-E202 HydrophobicContact CD1-CB 3.74Å; F154-E202 HydrophobicContact CD1-CG 3.76Å; F154-E202 HydrophobicContact CE1-CB 3.69Å; F154-E202 VanDerWaalsContact CE1-CD 3.45Å; F154-E202 HydrophobicContact CE1-CG 3.59Å
155	L	99	Very high	98.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	112.8	159.4	-176.6	163.3	0	0	0	108.5	V157 V181 I200 L201 F208 L301 F315 F400	L155-V157 HydrophobicContact CD2-CG2 3.36Å; L155-V181 HydrophobicContact CB-CG2 4.16Å; L155-V181 HydrophobicContact CG-CG2 4.15Å; L155-I200 CarbonylContact O-C 3.55Å; L155-I200 VanDerWaalsContact O-CA 3.27Å; L155-I200 WeakPolarHBondContact O-CA 3.45Å; L155-L201 HydrophobicContact CB-CB 4.39Å; L155-L201 PolarHBondContact N-O 2.69Å; L155-L201 PolarHBondContact O-N 3.06Å; L155-F208 HydrophobicContact CB-CD2 4.19Å; L155-F208 HydrophobicContact CB-CE1 4.38Å; L155-F208 HydrophobicContact CB-CE2 3.54Å; L155-F208 HydrophobicContact CB-CZ 3.63Å; L155-F208 HydrophobicContact CD1-CD1 4.16Å; L155-F208 HydrophobicContact CD1-CE1 3.95Å; L155-F208 HydrophobicContact CD1-CE2 4.38Å; L155-F208 HydrophobicContact CD1-CG 4.46Å; L155-F208 HydrophobicContact CD1-CZ 4.06Å; L155-L301 HydrophobicContact CD1-CB 4.46Å; L155-L301 HydrophobicContact CD1-CD1 3.98Å; L155-F315 HydrophobicContact CD1-CB 3.77Å; L155-F315 HydrophobicContact CD1-CD1 3.87Å; L155-F315 HydrophobicContact CD1-CG 3.82Å; L155-F315 HydrophobicContact CD2-CD1 4.45Å; L155-F315 HydrophobicContact CD2-CD2 4.38Å; L155-F315 HydrophobicContact CD2-CE2 4.48Å; L155-F315 HydrophobicContact CD2-CG 4.33Å; L155-F400 HydrophobicContact CD2-CE1 4Å; L155-F400 HydrophobicContact CD2-CZ 4.31Å
156	I	99	Very high	98.7	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	128.3	-174.5	-53.6	173.8	0	0	0	109.4	F112 Y136 F154 I165 I179 C180 I182 I200	F112-I156 HydrophobicContact CZ-CD1 4.16Å; Y136-I156 HydrophobicContact CE1-CG2 3.75Å; F154-I156 HydrophobicContact CB-CG1 4.12Å; I156-I165 HydrophobicContact CD1-CD1 4.41Å; I156-I179 WeakPolarHBondContact O-CA 3.28Å; I156-C180 PolarHBondContact N-O 3.35Å; I156-C180 PolarHBondContact O-N 2.87Å; I156-I182 HydrophobicContact CD1-CG1 4.22Å; I156-I200 HydrophobicContact CG1-CD1 4.46Å; I156-I200 HydrophobicContact CG1-CG1 4.26Å; I156-I200 HydrophobicContact CG2-CG1 4.46Å
157	V	98.9	Very high	98.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	93.6	-178.4	-171.2	0	0	0	0	109.9	L155 I179 G198 Y199 F315 I346 F398 F400	L155-V157 HydrophobicContact CD2-CG2 3.36Å; V157-I179 HydrophobicContact CB-CG2 4.49Å; V157-I179 HydrophobicContact CG1-CG2 4.29Å; V157-I179 HydrophobicContact CG2-CG2 4.01Å; V157-G198 CarbonylContact O-C 3.47Å; V157-G198 VanDerWaalsContact O-CA 3.28Å; V157-G198 WeakPolarHBondContact O-CA 3.47Å; V157-Y199 HydrophobicContact CB-CD2 4.47Å; V157-Y199 PolarHBondContact N-O 2.86Å; V157-Y199 PolarHBondContact O-N 3.18Å; V157-F315 HydrophobicContact CG2-CE2 4.15Å; V157-F315 HydrophobicContact CG2-CZ 4.32Å; V157-I346 HydrophobicContact CG1-CD1 3.53Å; V157-I346 HydrophobicContact CG1-CG1 3.83Å; V157-F398 HydrophobicContact CG1-CD1 4.26Å; V157-F398 HydrophobicContact CG1-CE1 4Å; V157-F398 HydrophobicContact CG1-CZ 4.4Å; V157-F400 HydrophobicContact CG2-CE1 4.21Å; V157-F400 HydrophobicContact CG2-CZ 3.86Å
158	P	98.9	Very high	98.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	138.2	174.2	-25.2	36	0	0	0	113.2	Y136 V163 V174 P176 E178	Y136-P158 VanDerWaalsContact OH-CA 3.28Å; Y136-P158 WeakPolarHBondContact OH-CA 3.48Å; P158-V163 HydrophobicContact CG-CG2 4.09Å; P158-V174 HydrophobicContact CG-CB 4.28Å; P158-V174 HydrophobicContact CG-CG1 3.82Å; P158-P176 WeakPolarHBondContact O-CA 3.41Å; P158-E178 WeakPolarHBondContact CD-O 3.43Å
159	Q	98.8	Very high	98.7	Very high	19 Å²	19	12.9 Å²	12.9	9%	0.089	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	-49	179.4	-172.3	-77.8	-59.5	0	0	111.3	P176 R197 Y199 L345 I346	Q159-P176 WeakPolarHBondContact O-CG 3.22Å; Q159-R197 WeakPolarHBondContact CB-O 3.34Å; Q159-R197 PolarHBondContact N-O 3.34Å; Q159-R197 VanDerWaalsContact OE1-CZ 3.29Å; Q159-Y199 HydrophobicContact CB-CD2 4.37Å; Q159-Y199 HydrophobicContact CB-CE2 3.87Å; Q159-Y199 HydrophobicContact CG-CE2 3.96Å; Q159-L345 WeakPolarHBondContact CG-O 3.33Å; Q159-I346 WeakPolarHBondContact CG-O 3.24Å; Q159-I346 PolarHBondContact NE2-O 2.76Å
160	Q	98.6	Very high	98.7	Very high	67 Å²	67	12.5 Å²	12.5	31%	0.313	7%	0.072	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	129.2	177.1	179.6	-178.2	-35.8	0	0	109.1	I102 E195 T196 R197	I102-Q160 HydrophobicContact CD1-CG 4.44Å; Q160-E195 PolarHBondContact NE2-O 3.41Å; Q160-T196 CarbonylContact O-C 3.51Å; Q160-T196 VanDerWaalsContact O-CA 3.26Å; Q160-T196 WeakPolarHBondContact O-CA 3.42Å; Q160-T196 WeakPolarHBondContact O-CG2 3.2Å; Q160-R197 HydrophobicContact CB-CB 4.33Å; Q160-R197 PolarHBondContact N-O 2.97Å; Q160-R197 PolarHBondContact O-N 3.34Å
161	G	97.9	Very high	98.7	Very high	28 Å²	28	13.4 Å²	13.4	29%	0.289	7%	0.072	S	C	.	.	S	Bend	trans	80.9	139	-176.5	0	0	0	0	0	112.3
162	E	97.5	Very high	98.7	Very high	65 Å²	65	13.1 Å²	13.1	30%	0.304	7%	0.07	S	C	.	.			trans	-77.1	151.3	166.9	69.2	-173.7	155.4	0	0	110	M173 V174 E175 F193	E162-M173 HydrophobicContact CB-SD 4.1Å; E162-M173 HydrophobicContact CG-SD 3.98Å; E162-V174 WeakPolarHBondContact CA-O 3.42Å; E162-E175 HydrophobicContact CB-CG 3.92Å; E162-F193 HydrophobicContact CG-CD2 3.5Å; E162-F193 HydrophobicContact CG-CE2 3.85Å
163	V	98.6	Very high	98.7	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.012	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.1	176.7	-64.9	0	0	0	0	110.4	P158 I165 M173 V174 V190 V192 T196	P158-V163 HydrophobicContact CG-CG2 4.09Å; V163-I165 HydrophobicContact CG2-CD1 4.17Å; V163-I165 HydrophobicContact CG2-CG1 4.12Å; V163-M173 VanDerWaalsContact O-SD 3.41Å; V163-V174 HydrophobicContact CG2-CB 3.96Å; V163-V174 PolarHBondContact N-O 2.88Å; V163-V174 PolarHBondContact O-N 2.81Å; V163-V190 HydrophobicContact CB-CG1 3.99Å; V163-V190 HydrophobicContact CG1-CG1 4.14Å; V163-V192 HydrophobicContact CG1-CG1 4.05Å; V163-T196 HydrophobicContact CG1-CG2 3.61Å
164	L	98.9	Very high	98.7	Very high	22 Å²	22	13.8 Å²	13.8	12%	0.115	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	112	170.7	171	67.4	0	0	0	108.5	L4 K171 M173 D191 F193	L4-L164 HydrophobicContact CD1-CD1 4.07Å; L164-K171 HydrophobicContact CD1-CB 4.27Å; L164-M173 HydrophobicContact CB-CE 4.04Å; L164-M173 HydrophobicContact CB-SD 4Å; L164-D191 HydrophobicContact CB-CB 3.97Å; L164-D191 HydrophobicContact CD2-CB 4.34Å; L164-D191 HydrophobicContact CG-CB 4.4Å; L164-D191 PolarHBondContact N-O 2.65Å; L164-D191 PolarHBondContact O-N 2.85Å; L164-F193 HydrophobicContact CB-CE2 4.06Å; L164-F193 HydrophobicContact CB-CZ 3.9Å; L164-F193 HydrophobicContact CD2-CZ 4.5Å
165	I	98.9	Very high	98.7	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	115.2	-178.7	-54.1	177.6	0	0	0	108.5	I156 V163 T167 K171 M172 V174 C180 I182 F188 S189 V190	I156-I165 HydrophobicContact CD1-CD1 4.41Å; V163-I165 HydrophobicContact CG2-CD1 4.17Å; V163-I165 HydrophobicContact CG2-CG1 4.12Å; I165-T167 HydrophobicContact CG2-CG2 3.83Å; I165-K171 WeakPolarHBondContact O-CA 3.25Å; I165-M172 PolarHBondContact N-O 2.53Å; I165-M172 PolarHBondContact O-N 3.1Å; I165-V174 HydrophobicContact CD1-CG2 4.09Å; I165-C180 WeakPolarHBondContact CD1-SG 3.16Å; I165-I182 HydrophobicContact CG2-CD1 4.18Å; I165-F188 HydrophobicContact CG2-CB 3.99Å; I165-F188 HydrophobicContact CG2-CD2 4.04Å; I165-F188 HydrophobicContact CG2-CG 4.38Å; I165-S189 WeakPolarHBondContact CA-O 3.46Å; I165-V190 HydrophobicContact CG1-CG2 4.43Å
166	T	98.9	Very high	98.7	Very high	8 Å²	8	20.7 Å²	20.7	5%	0.049	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	122.7	169.6	-59.4	0	0	0	0	108.4	K171 F188 S189 W233 F263	T166-K171 HydrophobicContact CG2-CG 4.17Å; T166-K171 WeakPolarHBondContact OG1-CE 3.42Å; T166-F188 CarbonylContact O-C 3.58Å; T166-F188 WeakPolarHBondContact O-CA 3.4Å; T166-F188 WeakPolarHBondContact O-CB 3.32Å; T166-S189 PolarHBondContact N-O 2.85Å; T166-S189 PolarHBondContact O-N 2.83Å; T166-W233 HydrophobicContact CG2-CE3 4.15Å; T166-W233 HydrophobicContact CG2-CZ3 3.72Å; T166-F263 HydrophobicContact CG2-CB 4.18Å; T166-F263 HydrophobicContact CG2-CD1 3.99Å; T166-F263 HydrophobicContact CG2-CD2 3.68Å; T166-F263 HydrophobicContact CG2-CE1 4.32Å; T166-F263 HydrophobicContact CG2-CE2 4.02Å; T166-F263 HydrophobicContact CG2-CG 3.66Å; T166-F263 HydrophobicContact CG2-CZ 4.34Å; T166-F263 WeakPolarHBondContact O-CE1 3.32Å
167	T	98.9	Very high	98.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	171.4	178.3	72.1	0	0	0	0	110.2	I165 F169 G170 M172 I182 R187 F188 P274	I165-T167 HydrophobicContact CG2-CG2 3.83Å; T167-F169 PolarHBondContact O-N 3.18Å; T167-F169 PolarHBondContact OG1-N 2.84Å; T167-F169 VanDerWaalsContact OG1-N 3.07Å; T167-G170 PolarHBondContact N-O 3.26Å; T167-G170 PolarHBondContact O-N 2.87Å; T167-G170 PolarHBondContact OG1-N 2.89Å; T167-G170 PolarHBondContact OG1-O 3.36Å; T167-M172 HydrophobicContact CG2-CE 4.45Å; T167-I182 HydrophobicContact CG2-CD1 3.88Å; T167-R187 WeakPolarHBondContact CA-O 3.46Å; T167-F188 HydrophobicContact CG2-CB 4.05Å; T167-P274 HydrophobicContact CG2-CB 4.15Å; T167-P274 HydrophobicContact CG2-CG 3.98Å
168	E	98.9	Very high	98.7	Very high	5 Å²	5	22 Å²	22	2%	0.023	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-19	168.7	-68.5	174.3	104.7	0	0	113.5	R63 R187 V265	R63-E168 IonicContact CZ-OE1 3.75Å; R63-E168 IonicContact NH1-OE1 3.83Å; R63-E168 PolarHBondContact NH1-OE1 3.28Å; R63-E168 IonicContact NH2-OE1 3.48Å; E168-R187 HydrophobicContact CG-CB 3.97Å; E168-R187 PolarHBondContact N-O 3.14Å; E168-R187 WeakPolarHBondContact OE2-CB 3.41Å; E168-R187 PolarHBondContact OE2-N 2.82Å; E168-V265 HydrophobicContact CB-CG2 4.08Å; E168-V265 VanDerWaalsContact O-CB 3.22Å; E168-V265 WeakPolarHBondContact O-CB 3.44Å; E168-V265 WeakPolarHBondContact O-CG2 3.32Å
169	F	98.9	Very high	98.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-8.9	-178.2	-65.1	-99.5	0	0	0	113.1	L44 L61 T167 M186 P230 V231 A232 W268 Y272 T273 P274	L44-F169 HydrophobicContact CD2-CE2 4.21Å; L44-F169 HydrophobicContact CD2-CZ 4.14Å; L61-F169 HydrophobicContact CD2-CD1 4.46Å; L61-F169 HydrophobicContact CD2-CE1 3.81Å; L61-F169 HydrophobicContact CD2-CE2 4.44Å; L61-F169 HydrophobicContact CD2-CZ 3.79Å; T167-F169 PolarHBondContact O-N 3.18Å; T167-F169 PolarHBondContact OG1-N 2.84Å; T167-F169 VanDerWaalsContact OG1-N 3.07Å; F169-M186 HydrophobicContact CD2-SD 4.34Å; F169-M186 HydrophobicContact CE2-CE 3.9Å; F169-M186 HydrophobicContact CE2-CG 4.04Å; F169-M186 HydrophobicContact CE2-SD 3.93Å; F169-M186 HydrophobicContact CZ-CE 4.11Å; F169-P230 HydrophobicContact CB-CG 4.08Å; F169-V231 CarbonylContact O-C 3.47Å; F169-A232 WeakPolarHBondContact O-CA 3.43Å; F169-A232 PolarHBondContact O-N 2.84Å; F169-W268 HydrophobicContact CB-CZ2 4.46Å; F169-W268 AromaticContact CD1-CD2 3.56Å; F169-W268 HydrophobicContact CD1-CD2 3.56Å; F169-W268 AromaticContact CD1-CE2 3.75Å; F169-W268 AromaticContact CD1-CE3 3.8Å; F169-W268 HydrophobicContact CD1-CE3 3.8Å; F169-W268 AromaticContact CD1-CG 3.89Å; F169-W268 HydrophobicContact CD1-CG 3.89Å; F169-W268 HydrophobicContact CD1-CH2 4.44Å; F169-W268 HydrophobicContact CD1-CZ2 4.22Å; F169-W268 HydrophobicContact CD1-CZ3 4.22Å; F169-W268 HydrophobicContact CE1-CD2 4.16Å; F169-W268 HydrophobicContact CE1-CE3 4.07Å; F169-W268 HydrophobicContact CE1-CG 4.41Å; F169-W268 PolarHBondContact O-NE1 2.84Å; F169-Y272 WeakPolarHBondContact CE1-O 3.25Å; F169-Y272 WeakPolarHBondContact CZ-O 3.39Å; F169-T273 HydrophobicContact CD1-CG2 4.09Å; F169-T273 HydrophobicContact CE1-CG2 4.11Å; F169-P274 HydrophobicContact CB-CG 3.84Å; F169-P274 HydrophobicContact CD2-CG 4.04Å; F169-P274 VanDerWaalsContact CG-CD 3.42Å; F169-P274 HydrophobicContact CG-CG 4.11Å
170	G	98.9	Very high	98.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	129	-163.2	-175.5	0	0	0	0	0	113.1	T167 V231	T167-G170 PolarHBondContact N-O 3.26Å; T167-G170 PolarHBondContact O-N 2.87Å; T167-G170 PolarHBondContact OG1-N 2.89Å; T167-G170 PolarHBondContact OG1-O 3.36Å; G170-V231 WeakPolarHBondContact CA-O 3.34Å
171	K	98.9	Very high	98.7	Very high	52 Å²	52	18 Å²	18	23%	0.226	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	138	-170.1	-67.4	179.1	169.7	176.2	0	112.5	L4 L164 I165 T166 P230 W233	L4-K171 HydrophobicContact CD1-CB 4.36Å; L4-K171 HydrophobicContact CD2-CB 4.1Å; L164-K171 HydrophobicContact CD1-CB 4.27Å; I165-K171 WeakPolarHBondContact O-CA 3.25Å; T166-K171 HydrophobicContact CG2-CG 4.17Å; T166-K171 WeakPolarHBondContact OG1-CE 3.42Å; K171-P230 WeakPolarHBondContact O-CB 3.34Å; K171-W233 HydrophobicContact CD-CD2 4.13Å; K171-W233 HydrophobicContact CD-CE3 4.32Å; K171-W233 HydrophobicContact CG-CD2 4.38Å; K171-W233 HydrophobicContact CG-CE3 4.28Å
172	M	98.7	Very high	98.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124.7	172.9	-56.1	-171.7	-65.9	0	0	109.9	Y6 I165 T167 V174 C180 I182 P230 P274 K276	Y6-M172 HydrophobicContact CE1-CB 4.25Å; Y6-M172 HydrophobicContact CE1-CG 4.07Å; I165-M172 PolarHBondContact N-O 2.53Å; I165-M172 PolarHBondContact O-N 3.1Å; T167-M172 HydrophobicContact CG2-CE 4.45Å; M172-V174 HydrophobicContact CB-CG2 4.29Å; M172-C180 HydrophobicContact CE-CB 4.18Å; M172-I182 HydrophobicContact CE-CD1 3.74Å; M172-P230 HydrophobicContact CG-CB 3.88Å; M172-P230 HydrophobicContact CG-CG 3.91Å; M172-P230 HydrophobicContact SD-CG 4.28Å; M172-P274 HydrophobicContact CE-CB 3.77Å; M172-P274 HydrophobicContact CE-CG 4.48Å; M172-P274 HydrophobicContact SD-CB 4.42Å; M172-K276 HydrophobicContact CB-CD 4.45Å; M172-K276 HydrophobicContact SD-CB 4.21Å; M172-K276 HydrophobicContact SD-CG 4.37Å
173	M	98.6	Very high	98.8	Very high	18 Å²	18	14.4 Å²	14.4	9%	0.089	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	134.5	162.1	-174.6	62.5	85.2	0	0	107.9	M1 L4 Y6 E162 V163 L164 E175 F193 K276	M1-M173 HydrophobicContact CE-CE 3.53Å; M1-M173 HydrophobicContact SD-CE 4.04Å; L4-M173 HydrophobicContact CD1-CB 4.04Å; Y6-M173 PolarHBondContact OH-N 2.57Å; Y6-M173 VanDerWaalsContact OH-N 3.15Å; E162-M173 HydrophobicContact CB-SD 4.1Å; E162-M173 HydrophobicContact CG-SD 3.98Å; V163-M173 VanDerWaalsContact O-SD 3.41Å; L164-M173 HydrophobicContact CB-CE 4.04Å; L164-M173 HydrophobicContact CB-SD 4Å; M173-E175 HydrophobicContact CG-CG 4.48Å; M173-F193 HydrophobicContact CE-CE2 3.77Å; M173-F193 HydrophobicContact CE-CZ 3.85Å; M173-F193 HydrophobicContact SD-CE2 4.07Å; M173-K276 WeakPolarHBondContact O-CD 3.43Å; M173-K276 WeakPolarHBondContact O-CE 3.24Å; M173-K276 PolarHBondContact O-NZ 2.75Å
174	V	98.8	Very high	98.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	115.7	178.8	-164.8	0	0	0	0	108.8	P158 E162 V163 I165 M172 E178 C180 K276	P158-V174 HydrophobicContact CG-CB 4.28Å; P158-V174 HydrophobicContact CG-CG1 3.82Å; E162-V174 WeakPolarHBondContact CA-O 3.42Å; V163-V174 HydrophobicContact CG2-CB 3.96Å; V163-V174 PolarHBondContact N-O 2.88Å; V163-V174 PolarHBondContact O-N 2.81Å; I165-V174 HydrophobicContact CD1-CG2 4.09Å; M172-V174 HydrophobicContact CB-CG2 4.29Å; V174-E178 HydrophobicContact CG1-CB 3.88Å; V174-C180 HydrophobicContact CG1-CB 4.24Å; V174-C180 HydrophobicContact CG2-CB 3.82Å; V174-K276 HydrophobicContact CG2-CB 4.45Å
175	E	98.2	Very high	98.8	Very high	99 Å²	99	16.3 Å²	16.3	46%	0.463	9%	0.088	S	C	.	.			trans	-98.7	160.8	-178.3	-64.7	173.1	-158.4	0	0	111	E162 M173 N177 E178	E162-E175 HydrophobicContact CB-CG 3.92Å; M173-E175 HydrophobicContact CG-CG 4.48Å; E175-N177 PolarHBondContact O-N 2.94Å; E175-E178 PolarHBondContact N-OE2 2.78Å; E175-E178 WeakPolarHBondContact O-CA 3.4Å; E175-E178 VanDerWaalsContact O-CB 3.3Å; E175-E178 WeakPolarHBondContact O-CB 3.44Å; E175-E178 PolarHBondContact O-N 2.81Å
176	P	98.7	Very high	98.8	Very high	48 Å²	48	16.3 Å²	16.3	31%	0.312	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	138.3	167.4	-26.5	35.8	0	0	0	111.6	P158 Q159 E178 I346	P158-P176 WeakPolarHBondContact O-CA 3.41Å; Q159-P176 WeakPolarHBondContact O-CG 3.22Å; P176-E178 VanDerWaalsContact C-N 3.28Å; P176-I346 HydrophobicContact CB-CG2 4.19Å
177	N	98.8	Very high	98.8	Very high	13 Å²	13	17 Å²	17	7%	0.07	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	6.2	-169.5	-155.5	87.9	0	0	0	114.6	E175 N278 L279 K280 K347 M396	E175-N177 PolarHBondContact O-N 2.94Å; N177-N278 PolarHBondContact O-OD1 2.8Å; N177-L279 VanDerWaalsContact O-CB 3.32Å; N177-L279 WeakPolarHBondContact O-CB 3.45Å; N177-L279 WeakPolarHBondContact O-CG 3.45Å; N177-L279 PolarHBondContact O-N 2.98Å; N177-K280 PolarHBondContact ND2-N 2.9Å; N177-K347 VanDerWaalsContact OD1-CE 3.28Å; N177-K347 WeakPolarHBondContact OD1-CE 3.23Å; N177-K347 PolarHBondContact OD1-NZ 3Å; N177-M396 WeakPolarHBondContact OD1-CB 3.48Å; N177-M396 WeakPolarHBondContact OD1-CE 3.34Å; N177-M396 WeakPolarHBondContact OD1-CG 3.24Å
178	E	98.9	Very high	98.8	Very high	16 Å²	16	17 Å²	17	8%	0.075	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	160.6	159.4	-52.2	-173.6	119.4	0	0	109.3	P158 V174 E175 P176 K276 Y277 N278	P158-E178 WeakPolarHBondContact CD-O 3.43Å; V174-E178 HydrophobicContact CG1-CB 3.88Å; E175-E178 PolarHBondContact N-OE2 2.78Å; E175-E178 WeakPolarHBondContact O-CA 3.4Å; E175-E178 VanDerWaalsContact O-CB 3.3Å; E175-E178 WeakPolarHBondContact O-CB 3.44Å; E175-E178 PolarHBondContact O-N 2.81Å; P176-E178 VanDerWaalsContact C-N 3.28Å; E178-K276 VanDerWaalsContact CD-CE 3.49Å; E178-K276 WeakPolarHBondContact OE1-CE 3.47Å; E178-K276 IonicContact OE1-NZ 3.54Å; E178-K276 PolarHBondContact OE1-NZ 2.85Å; E178-K276 VanDerWaalsContact OE2-CE 3.28Å; E178-K276 WeakPolarHBondContact OE2-CE 3.4Å; E178-K276 IonicContact OE2-NZ 3.21Å; E178-K276 PolarHBondContact OE2-NZ 3.29Å; E178-Y277 CarbonylContact C-O 3.59Å; E178-Y277 VanDerWaalsContact CA-O 3.24Å; E178-Y277 WeakPolarHBondContact CA-O 3.38Å; E178-Y277 WeakPolarHBondContact CB-O 3.4Å; E178-N278 HydrophobicContact CG-CB 4.05Å; E178-N278 PolarHBondContact OE1-ND2 2.8Å; E178-N278 VanDerWaalsContact OE1-ND2 3.16Å
179	I	98.9	Very high	98.8	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	161.7	169	66.4	173.9	0	0	0	108.8	I156 V157 K276 Y277 L279 V300 L301 F315	I156-I179 WeakPolarHBondContact O-CA 3.28Å; V157-I179 HydrophobicContact CB-CG2 4.49Å; V157-I179 HydrophobicContact CG1-CG2 4.29Å; V157-I179 HydrophobicContact CG2-CG2 4.01Å; I179-K276 CarbonylContact O-C 3.53Å; I179-K276 WeakPolarHBondContact O-CA 3.17Å; I179-K276 VanDerWaalsContact O-CB 3.31Å; I179-K276 WeakPolarHBondContact O-CB 3.28Å; I179-Y277 HydrophobicContact CD1-CD1 4.4Å; I179-Y277 HydrophobicContact CG1-CD1 4.4Å; I179-Y277 PolarHBondContact N-O 2.64Å; I179-Y277 PolarHBondContact O-N 2.87Å; I179-L279 HydrophobicContact CD1-CD2 4.5Å; I179-L279 HydrophobicContact CG2-CD1 4.17Å; I179-L279 HydrophobicContact CG2-CD2 3.98Å; I179-L279 HydrophobicContact CG2-CG 4.22Å; I179-V300 HydrophobicContact CD1-CG1 4.26Å; I179-L301 HydrophobicContact CD1-CD1 4.05Å; I179-F315 HydrophobicContact CD1-CD1 4.07Å; I179-F315 HydrophobicContact CD1-CE1 3.69Å; I179-F315 HydrophobicContact CG2-CE1 3.9Å; I179-F315 HydrophobicContact CG2-CZ 3.82Å
180	C	98.9	Very high	98.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	157	162.5	70.4	0	0	0	0	111.7	I156 I165 M172 V174 Y275 K276	I156-C180 PolarHBondContact N-O 3.35Å; I156-C180 PolarHBondContact O-N 2.87Å; I165-C180 WeakPolarHBondContact CD1-SG 3.16Å; M172-C180 HydrophobicContact CE-CB 4.18Å; V174-C180 HydrophobicContact CG1-CB 4.24Å; V174-C180 HydrophobicContact CG2-CB 3.82Å; C180-Y275 CarbonylContact C-O 3.55Å; C180-Y275 WeakPolarHBondContact CA-O 3.23Å; C180-Y275 VanDerWaalsContact CB-O 3.28Å; C180-Y275 WeakPolarHBondContact CB-O 3.28Å; C180-K276 HydrophobicContact CB-CB 3.95Å
181	V	99	Very high	98.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.4	174.6	177.5	0	0	0	0	109.1	F154 L155 Q183 F208 P274 Y275 L301	F154-V181 CarbonylContact O-C 3.46Å; F154-V181 VanDerWaalsContact O-CA 3.23Å; F154-V181 WeakPolarHBondContact O-CA 3.45Å; L155-V181 HydrophobicContact CB-CG2 4.16Å; L155-V181 HydrophobicContact CG-CG2 4.15Å; V181-Q183 HydrophobicContact CG1-CG 4.01Å; V181-F208 HydrophobicContact CG1-CD2 4.1Å; V181-F208 HydrophobicContact CG2-CD2 4.32Å; V181-P274 WeakPolarHBondContact O-CA 3.34Å; V181-Y275 HydrophobicContact CB-CD1 4.34Å; V181-Y275 HydrophobicContact CB-CD2 4.06Å; V181-Y275 HydrophobicContact CB-CE1 3.82Å; V181-Y275 HydrophobicContact CB-CE2 3.52Å; V181-Y275 HydrophobicContact CB-CG 4.46Å; V181-Y275 HydrophobicContact CG1-CE1 3.99Å; V181-Y275 HydrophobicContact CG1-CE2 4.4Å; V181-Y275 HydrophobicContact CG2-CD2 4.23Å; V181-Y275 HydrophobicContact CG2-CE1 4.46Å; V181-Y275 HydrophobicContact CG2-CE2 3.39Å; V181-Y275 WeakPolarHBondContact CG2-OH 3.25Å; V181-Y275 PolarHBondContact N-O 2.93Å; V181-Y275 PolarHBondContact O-N 3.48Å; V181-L301 HydrophobicContact CG2-CD1 4.09Å
182	I	98.9	Very high	98.8	Very high	5 Å²	5	17.8 Å²	17.8	3%	0.026	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	113.4	168.6	-51.5	-61	0	0	0	107.2	F154 I156 I165 T167 M172 M186 F188 P274	F154-I182 PolarHBondContact N-O 2.77Å; F154-I182 PolarHBondContact O-N 3.16Å; I156-I182 HydrophobicContact CD1-CG1 4.22Å; I165-I182 HydrophobicContact CG2-CD1 4.18Å; T167-I182 HydrophobicContact CG2-CD1 3.88Å; M172-I182 HydrophobicContact CE-CD1 3.74Å; I182-M186 HydrophobicContact CG2-CB 3.92Å; I182-F188 HydrophobicContact CB-CD1 4.39Å; I182-F188 HydrophobicContact CB-CE1 4.38Å; I182-F188 HydrophobicContact CG1-CD1 4.45Å; I182-F188 HydrophobicContact CG1-CG 4.5Å; I182-F188 HydrophobicContact CG2-CD1 3.59Å; I182-F188 HydrophobicContact CG2-CE1 3.9Å; I182-F188 HydrophobicContact CG2-CG 4.27Å; I182-P274 HydrophobicContact CD1-CB 3.65Å
183	Q	98.9	Very high	98.7	Very high	12 Å²	12	23 Å²	23	6%	0.056	12%	0.12	C	C	.	.			trans	-81.1	160.4	-174.4	-56.1	-177.9	85.4	0	0	111.5	D153 V181 G185 M186 Y272 T273	D153-Q183 VanDerWaalsContact OD1-CA 3.26Å; D153-Q183 WeakPolarHBondContact OD1-CA 3.02Å; D153-Q183 WeakPolarHBondContact OD1-CB 3.49Å; V181-Q183 HydrophobicContact CG1-CG 4.01Å; Q183-G185 PolarHBondContact O-N 2.82Å; Q183-M186 HydrophobicContact CB-CE 3.93Å; Q183-M186 HydrophobicContact CB-SD 4.17Å; Q183-M186 HydrophobicContact CG-CE 4.46Å; Q183-M186 WeakPolarHBondContact O-CB 3.38Å; Q183-M186 WeakPolarHBondContact O-CG 3.23Å; Q183-M186 PolarHBondContact O-N 2.66Å; Q183-Y272 HydrophobicContact CB-CD2 4.26Å; Q183-Y272 HydrophobicContact CB-CE1 4.4Å; Q183-Y272 HydrophobicContact CB-CE2 3.38Å; Q183-Y272 VanDerWaalsContact CB-CZ 3.46Å; Q183-Y272 VanDerWaalsContact CB-OH 3.32Å; Q183-Y272 WeakPolarHBondContact CB-OH 3.44Å; Q183-Y272 VanDerWaalsContact CD-CD2 3.47Å; Q183-Y272 HydrophobicContact CG-CD2 4.48Å; Q183-Y272 HydrophobicContact CG-CE2 3.93Å; Q183-T273 PolarHBondContact NE2-O 2.64Å
184	Q	98.8	Very high	98.6	Very high	40 Å²	40	23.7 Å²	23.7	19%	0.187	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.6	130.6	-176.5	-170.9	-177.4	17.4	0	0	112.5	N149 S150 G152 D153 M186 Y272	N149-Q184 CarbonylContact O-C 3.51Å; S150-Q184 PolarHBondContact O-NE2 3.37Å; G152-Q184 WeakPolarHBondContact O-CA 3.01Å; D153-Q184 PolarHBondContact OD1-N 3.32Å; Q184-M186 VanDerWaalsContact C-N 3.29Å; Q184-M186 PolarHBondContact O-N 3.08Å; Q184-Y272 WeakPolarHBondContact CA-OH 3.49Å; Q184-Y272 PolarHBondContact N-OH 2.89Å; Q184-Y272 PolarHBondContact O-OH 3.3Å
185	G	98.6	Very high	98.6	Very high	25 Å²	25	27.7 Å²	27.7	26%	0.258	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	-16.2	174.5	0	0	0	0	0	115.6	N149 Q183 R187	N149-G185 PolarHBondContact O-N 3.41Å; Q183-G185 PolarHBondContact O-N 2.82Å; G185-R187 PolarHBondContact O-N 2.82Å
186	M	98.9	Very high	98.6	Very high	1 Å²	1	23 Å²	23	1%	0.005	13%	0.129	C	C	.	.			trans	-66.5	132.8	178	-63.2	-180	-179.4	0	0	111	L44 N148 F169 I182 Q183 Q184 Y272 P274	L44-M186 HydrophobicContact CD2-CE 4.23Å; L44-M186 HydrophobicContact CD2-CG 3.8Å; N148-M186 WeakPolarHBondContact CB-O 3.48Å; F169-M186 HydrophobicContact CD2-SD 4.34Å; F169-M186 HydrophobicContact CE2-CE 3.9Å; F169-M186 HydrophobicContact CE2-CG 4.04Å; F169-M186 HydrophobicContact CE2-SD 3.93Å; F169-M186 HydrophobicContact CZ-CE 4.11Å; I182-M186 HydrophobicContact CG2-CB 3.92Å; Q183-M186 HydrophobicContact CB-CE 3.93Å; Q183-M186 HydrophobicContact CB-SD 4.17Å; Q183-M186 HydrophobicContact CG-CE 4.46Å; Q183-M186 WeakPolarHBondContact O-CB 3.38Å; Q183-M186 WeakPolarHBondContact O-CG 3.23Å; Q183-M186 PolarHBondContact O-N 2.66Å; Q184-M186 VanDerWaalsContact C-N 3.29Å; Q184-M186 PolarHBondContact O-N 3.08Å; M186-Y272 VanDerWaalsContact CE-C 3.45Å; M186-Y272 HydrophobicContact CE-CD1 3.54Å; M186-Y272 HydrophobicContact CE-CD2 4.22Å; M186-Y272 HydrophobicContact CE-CE1 3.64Å; M186-Y272 HydrophobicContact CE-CE2 4.33Å; M186-Y272 HydrophobicContact CE-CG 3.85Å; M186-Y272 VanDerWaalsContact CE-O 3.22Å; M186-Y272 WeakPolarHBondContact CE-O 3.28Å; M186-P274 HydrophobicContact SD-CB 4.25Å; M186-P274 HydrophobicContact SD-CG 4.44Å
187	R	98.9	Very high	98.6	Very high	21 Å²	21	21.8 Å²	21.8	8%	0.079	12%	0.118	C	C	.	.			trans	-83.4	134.2	173.4	-59.3	171.6	-178.7	-134.4	3.3	109.8	S67 F147 N148 T167 E168 G185 Q258	S67-R187 PolarHBondContact O-NH2 3.24Å; F147-R187 WeakPolarHBondContact O-CA 3.46Å; N148-R187 HydrophobicContact CB-CG 4Å; T167-R187 WeakPolarHBondContact CA-O 3.46Å; E168-R187 HydrophobicContact CG-CB 3.97Å; E168-R187 PolarHBondContact N-O 3.14Å; E168-R187 WeakPolarHBondContact OE2-CB 3.41Å; E168-R187 PolarHBondContact OE2-N 2.82Å; G185-R187 PolarHBondContact O-N 2.82Å; R187-Q258 VanDerWaalsContact NH1-OE1 3.09Å
188	F	98.9	Very high	98.7	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.009	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	157.6	174.9	69.7	-82.1	0	0	0	112.9	F112 C146 F147 F154 I165 T166 T167 I182 V190	F112-F188 HydrophobicContact CD1-CE2 4.26Å; F112-F188 AromaticContact CE1-CE2 3.84Å; F112-F188 HydrophobicContact CE1-CE2 3.84Å; F112-F188 HydrophobicContact CE1-CZ 4.09Å; F112-F188 HydrophobicContact CZ-CE2 4.48Å; C146-F188 CarbonylContact C-O 3.5Å; C146-F188 VanDerWaalsContact CA-O 3.28Å; C146-F188 WeakPolarHBondContact CA-O 3.28Å; C146-F188 WeakPolarHBondContact CB-O 3.13Å; F147-F188 HydrophobicContact CB-CE1 4.39Å; F147-F188 HydrophobicContact CB-CZ 4.36Å; F147-F188 AromaticContact CD1-CE1 3.58Å; F147-F188 HydrophobicContact CD1-CE1 3.58Å; F147-F188 AromaticContact CD1-CZ 3.58Å; F147-F188 HydrophobicContact CD1-CZ 3.58Å; F147-F188 HydrophobicContact CE1-CE1 4.4Å; F147-F188 HydrophobicContact CE1-CZ 4.39Å; F147-F188 HydrophobicContact CG-CE1 4.48Å; F147-F188 HydrophobicContact CG-CZ 4.43Å; F147-F188 PolarHBondContact N-O 3.42Å; F147-F188 VanDerWaalsContact O-CD1 3.28Å; F147-F188 WeakPolarHBondContact O-CD1 3.2Å; F147-F188 PolarHBondContact O-N 2.92Å; F154-F188 HydrophobicContact CD2-CZ 4.23Å; I165-F188 HydrophobicContact CG2-CB 3.99Å; I165-F188 HydrophobicContact CG2-CD2 4.04Å; I165-F188 HydrophobicContact CG2-CG 4.38Å; T166-F188 CarbonylContact O-C 3.58Å; T166-F188 WeakPolarHBondContact O-CA 3.4Å; T166-F188 WeakPolarHBondContact O-CB 3.32Å; T167-F188 HydrophobicContact CG2-CB 4.05Å; I182-F188 HydrophobicContact CB-CD1 4.39Å; I182-F188 HydrophobicContact CB-CE1 4.38Å; I182-F188 HydrophobicContact CG1-CD1 4.45Å; I182-F188 HydrophobicContact CG1-CG 4.5Å; I182-F188 HydrophobicContact CG2-CD1 3.59Å; I182-F188 HydrophobicContact CG2-CE1 3.9Å; I182-F188 HydrophobicContact CG2-CG 4.27Å; F188-V190 HydrophobicContact CD2-CG2 3.78Å; F188-V190 HydrophobicContact CE2-CG2 3.78Å
189	S	98.9	Very high	98.7	Very high	10 Å²	10	20.4 Å²	20.4	7%	0.07	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	145.1	172.5	-175.4	0	0	0	0	108.8	M142 R145 I165 T166	M142-S189 VanDerWaalsContact CB-OG 3.27Å; M142-S189 WeakPolarHBondContact CB-OG 3.4Å; R145-S189 PolarHBondContact O-OG 2.92Å; I165-S189 WeakPolarHBondContact CA-O 3.46Å; T166-S189 PolarHBondContact N-O 2.85Å; T166-S189 PolarHBondContact O-N 2.83Å
190	V	98.9	Very high	98.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118.9	-175.4	-175.2	0	0	0	0	109.9	F112 M142 V163 I165 F188 V192	F112-V190 HydrophobicContact CB-CB 3.81Å; F112-V190 HydrophobicContact CB-CG1 4.17Å; F112-V190 HydrophobicContact CB-CG2 4.04Å; F112-V190 HydrophobicContact CD1-CG2 3.95Å; F112-V190 HydrophobicContact CD2-CB 4.35Å; F112-V190 HydrophobicContact CD2-CG1 4.13Å; F112-V190 HydrophobicContact CD2-CG2 4.06Å; F112-V190 HydrophobicContact CE1-CG2 4.41Å; F112-V190 HydrophobicContact CG-CB 4.04Å; F112-V190 HydrophobicContact CG-CG1 4.3Å; F112-V190 HydrophobicContact CG-CG2 3.75Å; M142-V190 PolarHBondContact N-O 3.05Å; M142-V190 HydrophobicContact SD-CB 3.98Å; M142-V190 HydrophobicContact SD-CG2 4.16Å; M142-V190 PolarHBondContact SD-N 2.95Å; M142-V190 VanDerWaalsContact SD-N 3.37Å; V163-V190 HydrophobicContact CB-CG1 3.99Å; V163-V190 HydrophobicContact CG1-CG1 4.14Å; I165-V190 HydrophobicContact CG1-CG2 4.43Å; F188-V190 HydrophobicContact CD2-CG2 3.78Å; F188-V190 HydrophobicContact CE2-CG2 3.78Å; V190-V192 HydrophobicContact CG1-CG1 4.13Å
191	D	98.9	Very high	98.7	Very high	51 Å²	51	20.4 Å²	20.4	27%	0.273	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	136.6	166.1	-77.3	-47.2	0	0	0	110	S141 L164	S141-D191 WeakPolarHBondContact CB-OD1 3.24Å; S141-D191 WeakPolarHBondContact OG-CA 3.44Å; S141-D191 PolarHBondContact OG-OD1 3.12Å; L164-D191 HydrophobicContact CB-CB 3.97Å; L164-D191 HydrophobicContact CD2-CB 4.34Å; L164-D191 HydrophobicContact CG-CB 4.4Å; L164-D191 PolarHBondContact N-O 2.65Å; L164-D191 PolarHBondContact O-N 2.85Å
192	V	98.6	Very high	98.7	Very high	12 Å²	12	20.4 Å²	20.4	7%	0.073	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	151.8	177.5	-65.7	0	0	0	0	110.1	T140 S141 V163 V190 T196	T140-V192 WeakPolarHBondContact O-CG2 3.49Å; S141-V192 PolarHBondContact OG-N 2.89Å; S141-V192 VanDerWaalsContact OG-N 3.14Å; S141-V192 PolarHBondContact OG-O 3.45Å; V163-V192 HydrophobicContact CG1-CG1 4.05Å; V190-V192 HydrophobicContact CG1-CG1 4.13Å; V192-T196 HydrophobicContact CG1-CG2 4.01Å
193	F	97.6	Very high	98.6	Very high	108 Å²	108	20.1 Å²	20.1	47%	0.474	11%	0.11	S	C	.	.	S	Bend	trans	-110.1	14.2	-173.9	-52.2	-81.8	0	0	0	113.1	M1 E162 L164 M173	M1-F193 HydrophobicContact CE-CE1 4.28Å; M1-F193 HydrophobicContact CE-CZ 4.15Å; E162-F193 HydrophobicContact CG-CD2 3.5Å; E162-F193 HydrophobicContact CG-CE2 3.85Å; L164-F193 HydrophobicContact CB-CE2 4.06Å; L164-F193 HydrophobicContact CB-CZ 3.9Å; L164-F193 HydrophobicContact CD2-CZ 4.5Å; M173-F193 HydrophobicContact CE-CE2 3.77Å; M173-F193 HydrophobicContact CE-CZ 3.85Å; M173-F193 HydrophobicContact SD-CE2 4.07Å
194	G	96.5	Very high	98.6	Very high	33 Å²	33	19.6 Å²	19.6	34%	0.34	11%	0.107	S	C	.	.	S	Bend	trans	158.6	-157.8	-179	0	0	0	0	0	112	T196	G194-T196 PolarHBondContact O-N 2.75Å; G194-T196 PolarHBondContact O-OG1 2.8Å
195	E	98.1	Very high	98.2	Very high	84 Å²	84	20 Å²	20	39%	0.393	12%	0.122	S	C	.	.	S	Bend	trans	-62.7	115.9	173	-71.6	-178.8	-179.5	0	0	110.5	I102 Q160	I102-E195 HydrophobicContact CB-CB 4.37Å; I102-E195 HydrophobicContact CD1-CB 4.05Å; I102-E195 HydrophobicContact CG2-CB 3.79Å; I102-E195 HydrophobicContact CG2-CG 3.99Å; Q160-E195 PolarHBondContact NE2-O 3.41Å
196	T	98.8	Very high	98.1	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.1	-169.2	-53.5	0	0	0	0	110.2	Y136 T137 C138 Q160 V163 V192 G194	Y136-T196 HydrophobicContact CE2-CG2 3.79Å; T137-T196 WeakPolarHBondContact CA-O 3.3Å; C138-T196 PolarHBondContact N-O 2.96Å; C138-T196 PolarHBondContact O-N 2.69Å; Q160-T196 CarbonylContact O-C 3.51Å; Q160-T196 VanDerWaalsContact O-CA 3.26Å; Q160-T196 WeakPolarHBondContact O-CA 3.42Å; Q160-T196 WeakPolarHBondContact O-CG2 3.2Å; V163-T196 HydrophobicContact CG1-CG2 3.61Å; V192-T196 HydrophobicContact CG1-CG2 4.01Å; G194-T196 PolarHBondContact O-N 2.75Å; G194-T196 PolarHBondContact O-OG1 2.8Å
197	R	98.8	Very high	98	Very high	23 Å²	23	21.2 Å²	21.2	9%	0.087	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	146.7	176.1	177.7	174.4	61.1	-115.9	-14.6	111.4	F100 I102 V135 Y136 T137 Q159 Q160	F100-R197 VanDerWaalsContact O-CD 3.31Å; F100-R197 WeakPolarHBondContact O-CD 3.28Å; F100-R197 PolarHBondContact O-NH1 2.85Å; I102-R197 HydrophobicContact CD1-CB 3.73Å; I102-R197 HydrophobicContact CG1-CB 3.91Å; V135-R197 HydrophobicContact CG2-CG 4.04Å; Y136-R197 VanDerWaalsContact O-CA 3.25Å; Y136-R197 WeakPolarHBondContact O-CA 3.27Å; T137-R197 HydrophobicContact CG2-CB 4.26Å; T137-R197 HydrophobicContact CG2-CG 3.91Å; Q159-R197 WeakPolarHBondContact CB-O 3.34Å; Q159-R197 PolarHBondContact N-O 3.34Å; Q159-R197 VanDerWaalsContact OE1-CZ 3.29Å; Q160-R197 HydrophobicContact CB-CB 4.33Å; Q160-R197 PolarHBondContact N-O 2.97Å; Q160-R197 PolarHBondContact O-N 3.34Å
198	G	98.8	Very high	98	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.7	-174	168.8	0	0	0	0	0	111.8	V135 Y136 V157	V135-G198 WeakPolarHBondContact CA-O 3.25Å; V135-G198 WeakPolarHBondContact CG2-O 3.05Å; Y136-G198 VanDerWaalsContact CD1-C 3.47Å; Y136-G198 VanDerWaalsContact CD1-O 3.31Å; Y136-G198 WeakPolarHBondContact CD1-O 3.36Å; Y136-G198 VanDerWaalsContact CZ-CA 3.44Å; Y136-G198 PolarHBondContact N-O 3.19Å; Y136-G198 PolarHBondContact O-N 2.97Å; V157-G198 CarbonylContact O-C 3.47Å; V157-G198 VanDerWaalsContact O-CA 3.28Å; V157-G198 WeakPolarHBondContact O-CA 3.47Å
199	Y	98.9	Very high	98	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	156.6	-174.2	-48	-96.8	0	0	0	110.6	H134 V157 Q159 F342 L345 G360 G361 F398	H134-Y199 CarbonylContact O-C 3.48Å; H134-Y199 WeakPolarHBondContact O-CA 3.36Å; V157-Y199 HydrophobicContact CB-CD2 4.47Å; V157-Y199 PolarHBondContact N-O 2.86Å; V157-Y199 PolarHBondContact O-N 3.18Å; Q159-Y199 HydrophobicContact CB-CD2 4.37Å; Q159-Y199 HydrophobicContact CB-CE2 3.87Å; Q159-Y199 HydrophobicContact CG-CE2 3.96Å; Y199-F342 HydrophobicContact CD1-CE1 4.22Å; Y199-F342 HydrophobicContact CD1-CZ 4.39Å; Y199-L345 PolarHBondContact OH-N 2.86Å; Y199-L345 PolarHBondContact OH-O 2.67Å; Y199-G360 WeakPolarHBondContact OH-CA 3.43Å; Y199-G360 PolarHBondContact OH-N 3.38Å; Y199-G361 VanDerWaalsContact CE1-O 3.23Å; Y199-G361 WeakPolarHBondContact CE1-O 3.45Å; Y199-G361 PolarHBondContact OH-N 2.85Å; Y199-G361 PolarHBondContact OH-O 3.4Å; Y199-F398 HydrophobicContact CD1-CZ 4.04Å; Y199-F398 AromaticContact CD2-CE1 3.65Å; Y199-F398 HydrophobicContact CD2-CE1 3.65Å; Y199-F398 AromaticContact CD2-CZ 3.47Å; Y199-F398 HydrophobicContact CD2-CZ 3.47Å; Y199-F398 VanDerWaalsContact CD2-CZ 3.47Å; Y199-F398 HydrophobicContact CE1-CZ 4.37Å; Y199-F398 AromaticContact CE2-CE1 3.72Å; Y199-F398 HydrophobicContact CE2-CE1 3.72Å; Y199-F398 AromaticContact CE2-CZ 3.86Å; Y199-F398 HydrophobicContact CE2-CZ 3.86Å; Y199-F398 HydrophobicContact CG-CE1 4.23Å; Y199-F398 AromaticContact CG-CZ 3.55Å; Y199-F398 HydrophobicContact CG-CZ 3.55Å
200	I	99	Very high	98	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	129.7	173.4	-53.4	179.4	0	0	0	108.5	F112 L116 I133 H134 Y136 F154 L155 I156	F112-I200 HydrophobicContact CE1-CD1 4.37Å; F112-I200 HydrophobicContact CE2-CD1 4.28Å; F112-I200 HydrophobicContact CZ-CD1 3.59Å; L116-I200 HydrophobicContact CD2-CD1 3.46Å; L116-I200 VanDerWaalsContact CD2-CD1 3.46Å; I133-I200 WeakPolarHBondContact CA-O 3.15Å; H134-I200 HydrophobicContact CB-CB 4.18Å; H134-I200 PolarHBondContact N-O 2.83Å; H134-I200 PolarHBondContact O-N 3.14Å; Y136-I200 HydrophobicContact CD1-CD1 4.03Å; Y136-I200 HydrophobicContact CD1-CG1 3.89Å; Y136-I200 HydrophobicContact CE1-CG1 4.38Å; F154-I200 HydrophobicContact CB-CG2 3.9Å; F154-I200 HydrophobicContact CD1-CG2 3.54Å; F154-I200 HydrophobicContact CD2-CG2 4.36Å; F154-I200 HydrophobicContact CE1-CG2 4.04Å; F154-I200 HydrophobicContact CG-CG2 3.71Å; L155-I200 CarbonylContact O-C 3.55Å; L155-I200 VanDerWaalsContact O-CA 3.27Å; L155-I200 WeakPolarHBondContact O-CA 3.45Å; I156-I200 HydrophobicContact CG1-CD1 4.46Å; I156-I200 HydrophobicContact CG1-CG1 4.26Å; I156-I200 HydrophobicContact CG2-CG1 4.46Å
201	L	98.9	Very high	98	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	118.2	160.6	173.2	63.9	0	0	0	108	I131 I133 L155 V203 F208 A313 F400	I131-L201 HydrophobicContact CB-CD1 4.36Å; I131-L201 HydrophobicContact CD1-CD1 4.33Å; I133-L201 HydrophobicContact CG1-CD1 4.07Å; L155-L201 HydrophobicContact CB-CB 4.39Å; L155-L201 PolarHBondContact N-O 2.69Å; L155-L201 PolarHBondContact O-N 3.06Å; L201-V203 HydrophobicContact CD1-CG1 4.44Å; L201-V203 HydrophobicContact CD2-CG1 4.43Å; L201-V203 HydrophobicContact CG-CG1 4.18Å; L201-F208 HydrophobicContact CD2-CE1 3.75Å; L201-F208 HydrophobicContact CD2-CZ 3.76Å; L201-F208 HydrophobicContact CG-CE1 4.46Å; L201-F208 HydrophobicContact CG-CZ 3.98Å; L201-A313 HydrophobicContact CD1-CB 4.25Å; L201-A313 HydrophobicContact CD2-CB 3.77Å; L201-F400 HydrophobicContact CB-CD1 3.89Å; L201-F400 HydrophobicContact CB-CD2 3.96Å; L201-F400 HydrophobicContact CB-CE1 3.77Å; L201-F400 HydrophobicContact CB-CE2 3.83Å; L201-F400 HydrophobicContact CB-CG 3.99Å; L201-F400 HydrophobicContact CB-CZ 3.74Å; L201-F400 HydrophobicContact CD1-CB 4.34Å; L201-F400 HydrophobicContact CD1-CG 4.36Å; L201-F400 HydrophobicContact CD2-CB 4.35Å; L201-F400 HydrophobicContact CD2-CD1 3.78Å; L201-F400 HydrophobicContact CD2-CE1 4.27Å; L201-F400 HydrophobicContact CD2-CG 4.11Å; L201-F400 HydrophobicContact CG-CD1 4.36Å; L201-F400 HydrophobicContact CG-CG 4.38Å
202	E	98.9	Very high	98	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	130.5	170.7	-173.1	175.5	-171	0	0	109.4	I131 G132 H134 N149 D153 F154 Y204 K248	I131-E202 CarbonylContact C-O 3.6Å; I131-E202 WeakPolarHBondContact CA-O 3.46Å; I131-E202 WeakPolarHBondContact CB-O 3.49Å; G132-E202 PolarHBondContact N-O 2.81Å; G132-E202 PolarHBondContact O-N 3.43Å; H134-E202 IonicContact CE1-OE2 3.6Å; H134-E202 WeakPolarHBondContact NE2-CB 3.27Å; H134-E202 IonicContact NE2-OE2 3.65Å; H134-E202 PolarHBondContact NE2-OE2 2.94Å; N149-E202 PolarHBondContact ND2-OE1 3.1Å; N149-E202 PolarHBondContact OD1-OE1 3.22Å; D153-E202 WeakPolarHBondContact O-CA 3.26Å; F154-E202 HydrophobicContact CD1-CB 3.74Å; F154-E202 HydrophobicContact CD1-CG 3.76Å; F154-E202 HydrophobicContact CE1-CB 3.69Å; F154-E202 VanDerWaalsContact CE1-CD 3.45Å; F154-E202 HydrophobicContact CE1-CG 3.59Å; E202-Y204 HydrophobicContact CG-CD1 4.2Å; E202-Y204 HydrophobicContact CG-CE1 3.65Å; E202-Y204 WeakPolarHBondContact OE1-CE1 3.41Å; E202-K248 IonicContact OE1-NZ 3.27Å; E202-K248 PolarHBondContact OE1-NZ 2.88Å; E202-K248 WeakPolarHBondContact OE2-CE 3.13Å; E202-K248 IonicContact OE2-NZ 3.47Å; E202-K248 PolarHBondContact OE2-NZ 3.36Å
203	V	98.8	Very high	98	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	132.8	175.7	-66.3	0	0	0	0	110.7	I131 G152 D153 L201 A206 F208 A303 I312 A313	I131-V203 HydrophobicContact CG2-CG1 3.99Å; G152-V203 WeakPolarHBondContact CA-O 3.36Å; D153-V203 HydrophobicContact CB-CG2 3.95Å; D153-V203 PolarHBondContact N-O 3.05Å; D153-V203 PolarHBondContact O-N 3.44Å; D153-V203 VanDerWaalsContact O-N 3.14Å; L201-V203 HydrophobicContact CD1-CG1 4.44Å; L201-V203 HydrophobicContact CD2-CG1 4.43Å; L201-V203 HydrophobicContact CG-CG1 4.18Å; V203-A206 WeakPolarHBondContact CG2-O 3.45Å; V203-F208 HydrophobicContact CB-CZ 4.33Å; V203-F208 HydrophobicContact CG1-CE1 3.96Å; V203-F208 HydrophobicContact CG1-CE2 4.35Å; V203-F208 HydrophobicContact CG1-CZ 3.59Å; V203-F208 HydrophobicContact CG2-CD2 4.25Å; V203-F208 HydrophobicContact CG2-CE1 4.4Å; V203-F208 HydrophobicContact CG2-CE2 3.64Å; V203-F208 HydrophobicContact CG2-CZ 3.74Å; V203-A303 HydrophobicContact CB-CB 4.39Å; V203-A303 HydrophobicContact CG1-CB 4.03Å; V203-A303 HydrophobicContact CG2-CB 4.35Å; V203-I312 HydrophobicContact CB-CD1 3.86Å; V203-I312 HydrophobicContact CG1-CD1 4.18Å; V203-A313 HydrophobicContact CG1-CB 4.08Å
204	Y	98.2	Very high	98	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	122.6	180	-47.3	-48.2	0	0	0	110.8	E83 A125 R128 G130 D151 E202	E83-Y204 PolarHBondContact OE1-OH 2.84Å; A125-Y204 HydrophobicContact CB-CD1 4.16Å; A125-Y204 HydrophobicContact CB-CE1 4.19Å; A125-Y204 HydrophobicContact CB-CG 4.34Å; R128-Y204 CarbonylContact C-O 3.6Å; G130-Y204 WeakPolarHBondContact O-CD2 3.5Å; G130-Y204 PolarHBondContact O-N 3.39Å; D151-Y204 HydrophobicContact CB-CD1 4.23Å; D151-Y204 HydrophobicContact CB-CE1 4.29Å; E202-Y204 HydrophobicContact CG-CD1 4.2Å; E202-Y204 HydrophobicContact CG-CE1 3.65Å; E202-Y204 WeakPolarHBondContact OE1-CE1 3.41Å
205	G	89.6	Confident	98.1	Very high	48 Å²	48	35.3 Å²	35.3	50%	0.495	22%	0.217	S	C	.	.	S	Bend	trans	80.9	9.9	170.4	0	0	0	0	0	116.6	R128	R128-G205 WeakPolarHBondContact O-CA 3.45Å
206	A	96.1	Very high	98.1	Very high	21 Å²	21	34 Å²	34	17%	0.174	21%	0.212	C	C	.	.			trans	-140.1	159.7	170.7	0	0	0	0	0	110.5	V203 A303 I312	V203-A206 WeakPolarHBondContact CG2-O 3.45Å; A206-A303 HydrophobicContact CB-CB 4.29Å; A206-I312 HydrophobicContact CB-CD1 3.91Å
207	H	98.6	Very high	98.1	Very high	31 Å²	31	36 Å²	36	14%	0.144	23%	0.233	C	C	.	.			trans	-104.6	153	169.7	-59.6	-57.2	0	0	0	109.8	G46 D153 Y272	G46-H207 PolarHBondContact O-NE2 2.85Å; D153-H207 VanDerWaalsContact CG-ND1 3.34Å; D153-H207 IonicContact OD1-CE1 3.76Å; D153-H207 IonicContact OD1-ND1 3.77Å; D153-H207 PolarHBondContact OD1-ND1 2.82Å; D153-H207 WeakPolarHBondContact OD2-CA 3.21Å; D153-H207 IonicContact OD2-CE1 3.64Å; D153-H207 IonicContact OD2-CG 3.41Å; D153-H207 IonicContact OD2-ND1 2.84Å; D153-H207 PolarHBondContact OD2-ND1 3.37Å; H207-Y272 AromaticContact CE1-CE2 3.6Å
208	F	98.9	Very high	98.1	Very high	5 Å²	5	39.2 Å²	39.2	2%	0.022	26%	0.264	C	S	.	.			trans	-69.1	135.7	170.9	-66.9	-75.9	0	0	0	110.9	F10 D153 L155 V181 L201 V203 L301 T302 A303	F10-F208 WeakPolarHBondContact CZ-O 3.32Å; D153-F208 HydrophobicContact CB-CD2 4.23Å; D153-F208 HydrophobicContact CB-CE2 4.16Å; L155-F208 HydrophobicContact CB-CD2 4.19Å; L155-F208 HydrophobicContact CB-CE1 4.38Å; L155-F208 HydrophobicContact CB-CE2 3.54Å; L155-F208 HydrophobicContact CB-CZ 3.63Å; L155-F208 HydrophobicContact CD1-CD1 4.16Å; L155-F208 HydrophobicContact CD1-CE1 3.95Å; L155-F208 HydrophobicContact CD1-CE2 4.38Å; L155-F208 HydrophobicContact CD1-CG 4.46Å; L155-F208 HydrophobicContact CD1-CZ 4.06Å; V181-F208 HydrophobicContact CG1-CD2 4.1Å; V181-F208 HydrophobicContact CG2-CD2 4.32Å; L201-F208 HydrophobicContact CD2-CE1 3.75Å; L201-F208 HydrophobicContact CD2-CZ 3.76Å; L201-F208 HydrophobicContact CG-CE1 4.46Å; L201-F208 HydrophobicContact CG-CZ 3.98Å; V203-F208 HydrophobicContact CB-CZ 4.33Å; V203-F208 HydrophobicContact CG1-CE1 3.96Å; V203-F208 HydrophobicContact CG1-CE2 4.35Å; V203-F208 HydrophobicContact CG1-CZ 3.59Å; V203-F208 HydrophobicContact CG2-CD2 4.25Å; V203-F208 HydrophobicContact CG2-CE1 4.4Å; V203-F208 HydrophobicContact CG2-CE2 3.64Å; V203-F208 HydrophobicContact CG2-CZ 3.74Å; F208-L301 HydrophobicContact CB-CB 4.22Å; F208-L301 HydrophobicContact CB-CD1 4.16Å; F208-L301 HydrophobicContact CB-CD2 4.33Å; F208-L301 HydrophobicContact CB-CG 4.47Å; F208-L301 HydrophobicContact CD1-CB 4.16Å; F208-T302 CarbonylContact C-O 3.53Å; F208-T302 WeakPolarHBondContact CA-O 3.5Å; F208-A303 HydrophobicContact CD1-CB 4.1Å; F208-A303 HydrophobicContact CE1-CB 4.19Å
209	E	98.8	Very high	98.1	Very high	71 Å²	71	45 Å²	45	33%	0.332	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-127.8	160.9	178	-65.3	175.3	-130	0	0	109.8	L301 T302 K304	E209-L301 WeakPolarHBondContact O-CA 3.37Å; E209-L301 WeakPolarHBondContact O-CD2 3.19Å; E209-T302 PolarHBondContact N-O 2.9Å; E209-T302 PolarHBondContact O-N 2.85Å; E209-K304 IonicContact OE1-NZ 2.79Å; E209-K304 IonicContact OE2-NZ 3.62Å; E209-K304 PolarHBondContact OE2-NZ 3.18Å
210	L	98.8	Very high	98.1	Very high	38 Å²	38	45.2 Å²	45.2	20%	0.199	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-69.7	143.8	165.7	-68.5	174.6	0	0	0	109.7	F10 A222 P224 F227 L301	F10-L210 HydrophobicContact CB-CD1 4.12Å; F10-L210 HydrophobicContact CD1-CD1 3.88Å; F10-L210 HydrophobicContact CD1-CG 3.87Å; F10-L210 HydrophobicContact CE1-CG 4.09Å; F10-L210 HydrophobicContact CG-CD1 4.04Å; F10-L210 HydrophobicContact CG-CG 4.11Å; F10-L210 HydrophobicContact CZ-CG 4.5Å; L210-A222 HydrophobicContact CD2-CB 4.05Å; L210-A222 WeakPolarHBondContact CD2-O 3.47Å; L210-P224 HydrophobicContact CD1-CB 4.16Å; L210-P224 HydrophobicContact CD1-CG 3.67Å; L210-F227 HydrophobicContact CD2-CE2 3.67Å; L210-F227 HydrophobicContact CD2-CZ 3.65Å; L210-L301 HydrophobicContact CD2-CD2 4.21Å
211	P	98.6	Very high	98.1	Very high	25 Å²	25	45.6 Å²	45.6	16%	0.162	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-67	149.7	176.9	29.9	-35.7	0	0	0	111.1	L213 L221 T299 T302	P211-L213 PolarHBondContact O-N 3.23Å; P211-L221 HydrophobicContact CG-CD1 4.02Å; P211-T299 HydrophobicContact CB-CG2 3.99Å; P211-T299 HydrophobicContact CG-CG2 3.97Å; P211-T302 HydrophobicContact CB-CG2 4.43Å
212	D	98.1	Very high	98.1	Very high	148 Å²	148	45.8 Å²	45.8	79%	0.791	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-63.2	123.7	166.9	-69.5	-29.6	0	0	0	108.8	G214	D212-G214 VanDerWaalsContact C-N 3.28Å; D212-G214 PolarHBondContact O-N 3.32Å
213	L	98.6	Very high	98.1	Very high	43 Å²	43	47.7 Å²	47.7	23%	0.225	31%	0.311	C	S	.	.			trans	-74.8	-16.4	-173.2	-70.9	-175.7	0	0	0	113.8	P211 I216 G217 L221	P211-L213 PolarHBondContact O-N 3.23Å; L213-I216 HydrophobicContact CB-CB 4.15Å; L213-I216 HydrophobicContact CD2-CG2 4.45Å; L213-I216 VanDerWaalsContact O-CB 3.23Å; L213-I216 WeakPolarHBondContact O-CB 3.26Å; L213-I216 WeakPolarHBondContact O-CG1 3.27Å; L213-I216 PolarHBondContact O-N 3.36Å; L213-G217 VanDerWaalsContact CB-O 3.24Å; L213-G217 WeakPolarHBondContact CB-O 3.5Å; L213-G217 WeakPolarHBondContact CD1-O 3.17Å; L213-L221 HydrophobicContact CD2-CB 4.29Å; L213-L221 HydrophobicContact CD2-CD1 3.6Å; L213-L221 HydrophobicContact CD2-CG 3.83Å
214	G	98.4	Very high	98.1	Very high	55 Å²	55	50.8 Å²	50.8	57%	0.567	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	49.8	-130.3	-178.3	0	0	0	0	0	111.8	D212 I216 G217	D212-G214 VanDerWaalsContact C-N 3.28Å; D212-G214 PolarHBondContact O-N 3.32Å; G214-I216 PolarHBondContact O-N 3.09Å; G214-G217 PolarHBondContact O-N 2.85Å
215	P	98.6	Very high	98.1	Very high	148 Å²	148	59 Å²	59	96%	0.961	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-62.8	-14.8	178.2	-24.4	35.6	0	0	0	116.2	G217	P215-G217 PolarHBondContact O-N 3.04Å
216	I	98.8	Very high	98.5	Very high	57 Å²	57	58 Å²	58	29%	0.292	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-63	-29	172.4	-59.6	170.3	0	0	0	109.7	L213 G214 N219 L221 I285	L213-I216 HydrophobicContact CB-CB 4.15Å; L213-I216 HydrophobicContact CD2-CG2 4.45Å; L213-I216 VanDerWaalsContact O-CB 3.23Å; L213-I216 WeakPolarHBondContact O-CB 3.26Å; L213-I216 WeakPolarHBondContact O-CG1 3.27Å; L213-I216 PolarHBondContact O-N 3.36Å; G214-I216 PolarHBondContact O-N 3.09Å; I216-N219 WeakPolarHBondContact CG2-O 3.32Å; I216-L221 HydrophobicContact CD1-CD1 4.05Å; I216-L221 HydrophobicContact CD1-CD2 4.08Å; I216-L221 HydrophobicContact CD1-CG 4.11Å; I216-I285 HydrophobicContact CD1-CG1 4.43Å; I216-I285 HydrophobicContact CG2-CG1 4.3Å
217	G	98.6	Very high	98.7	Very high	43 Å²	43	57.1 Å²	57.1	44%	0.443	34%	0.338	S	S	.	.			trans	94.1	-129	171.3	0	0	0	0	0	112.7	L213 G214 P215	L213-G217 VanDerWaalsContact CB-O 3.24Å; L213-G217 WeakPolarHBondContact CB-O 3.5Å; L213-G217 WeakPolarHBondContact CD1-O 3.17Å; G214-G217 PolarHBondContact O-N 2.85Å; P215-G217 PolarHBondContact O-N 3.04Å
218	A	98.4	Very high	98.7	Very high	89 Å²	89	57.7 Å²	57.7	74%	0.736	34%	0.342	S	S	*	.	S	Bend	trans	-101.2	-5	-169.7	0	0	0	0	0	114.6
219	N	98.7	Very high	98.7	Very high	122 Å²	122	57.5 Å²	57.5	65%	0.652	34%	0.341	S	S	*	.	S	Bend	trans	-149	145	-176	-53.6	-89.5	0	0	0	110.2	I216	I216-N219 WeakPolarHBondContact CG2-O 3.32Å
220	G	98.1	Very high	98.7	Very high	5 Å²	5	54.1 Å²	54.1	5%	0.052	33%	0.326	C	S	.	.			trans	136.7	173	-179.3	0	0	0	0	0	112	A222 N223	G220-A222 PolarHBondContact O-N 2.65Å; G220-N223 PolarHBondContact N-OD1 2.92Å
221	L	98.8	Very high	98.7	Very high	7 Å²	7	54.5 Å²	54.5	4%	0.037	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	57.2	-128.9	-177.9	-47.7	-171.9	0	0	0	111.6	P211 L213 I216 N223 F282 M283 I285 I297	P211-L221 HydrophobicContact CG-CD1 4.02Å; L213-L221 HydrophobicContact CD2-CB 4.29Å; L213-L221 HydrophobicContact CD2-CD1 3.6Å; L213-L221 HydrophobicContact CD2-CG 3.83Å; I216-L221 HydrophobicContact CD1-CD1 4.05Å; I216-L221 HydrophobicContact CD1-CD2 4.08Å; I216-L221 HydrophobicContact CD1-CG 4.11Å; L221-N223 PolarHBondContact O-N 2.9Å; L221-F282 VanDerWaalsContact C-CD2 3.44Å; L221-F282 VanDerWaalsContact C-CE2 3.48Å; L221-F282 HydrophobicContact CB-CD2 4.49Å; L221-F282 HydrophobicContact CB-CE2 3.63Å; L221-F282 HydrophobicContact CB-CZ 3.76Å; L221-F282 HydrophobicContact CD2-CE1 4.24Å; L221-F282 HydrophobicContact CD2-CE2 4.49Å; L221-F282 HydrophobicContact CD2-CZ 3.74Å; L221-F282 HydrophobicContact CG-CZ 4.28Å; L221-M283 WeakPolarHBondContact CA-O 3.45Å; L221-M283 PolarHBondContact N-O 2.84Å; L221-M283 PolarHBondContact O-N 3.31Å; L221-I285 HydrophobicContact CD2-CB 4.24Å; L221-I285 HydrophobicContact CD2-CG1 3.97Å; L221-I297 WeakPolarHBondContact CD2-O 3.21Å
222	A	98.9	Very high	98.7	Very high	5 Å²	5	53.4 Å²	53.4	4%	0.041	32%	0.322	C	S	.	.	S	Bend	trans	-86.5	92.8	174.9	0	0	0	0	0	110.7	L210 G220 F227 Y277 F282 V300	L210-A222 HydrophobicContact CD2-CB 4.05Å; L210-A222 WeakPolarHBondContact CD2-O 3.47Å; G220-A222 PolarHBondContact O-N 2.65Å; A222-F227 HydrophobicContact CB-CE2 3.87Å; A222-F227 HydrophobicContact CB-CZ 3.93Å; A222-Y277 HydrophobicContact CB-CE1 4.28Å; A222-Y277 HydrophobicContact CB-CE2 4.19Å; A222-F282 HydrophobicContact CB-CD2 4.07Å; A222-F282 HydrophobicContact CB-CE2 4.29Å; A222-V300 HydrophobicContact CB-CG1 3.98Å
223	N	98.9	Very high	98.7	Very high	39 Å²	39	49.4 Å²	49.4	21%	0.209	30%	0.296	C	S	.	.			trans	-62.7	133.8	-178.6	-72.8	-60.3	0	0	0	111.4	G220 L221 R225 D226	G220-N223 PolarHBondContact N-OD1 2.92Å; L221-N223 PolarHBondContact O-N 2.9Å; N223-R225 PolarHBondContact O-N 3.15Å; N223-D226 PolarHBondContact O-N 3.02Å
224	P	98.8	Very high	98.7	Very high	66 Å²	66	49.3 Å²	49.3	43%	0.429	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-55.5	-32.3	-173.8	-26.4	30.4	0	0	0	115.1	G9 F10 L210 D226 F227	G9-P224 CarbonylContact C-O 3.59Å; G9-P224 VanDerWaalsContact CA-O 3.27Å; G9-P224 WeakPolarHBondContact CA-O 3.13Å; F10-P224 HydrophobicContact CB-CB 4.09Å; F10-P224 PolarHBondContact N-O 2.67Å; L210-P224 HydrophobicContact CD1-CB 4.16Å; L210-P224 HydrophobicContact CD1-CG 3.67Å; P224-D226 PolarHBondContact O-N 3.14Å; P224-F227 PolarHBondContact O-N 2.84Å
225	R	98.9	Very high	98.7	Very high	174 Å²	174	48.7 Å²	48.7	66%	0.657	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-60.9	-28.9	-179.3	-178.2	178.4	63.8	104.1	10.9	112.9	T8 N223 F227	T8-R225 WeakPolarHBondContact CB-O 3.49Å; N223-R225 PolarHBondContact O-N 3.15Å; R225-F227 VanDerWaalsContact C-N 3.27Å; R225-F227 PolarHBondContact O-N 3.11Å
226	D	98.9	Very high	98.7	Very high	25 Å²	25	46.8 Å²	46.8	13%	0.134	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-86.9	-0.9	-172	-61.8	-41.6	0	0	0	112.7	N223 P224 Y277 N281	N223-D226 PolarHBondContact O-N 3.02Å; P224-D226 PolarHBondContact O-N 3.14Å; D226-Y277 HydrophobicContact CB-CD2 4.11Å; D226-Y277 HydrophobicContact CB-CE2 3.73Å; D226-N281 HydrophobicContact CB-CB 4.18Å
227	F	98.9	Very high	98.7	Very high	3 Å²	3	47.8 Å²	47.8	1%	0.013	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	125.5	169.3	-70.2	-98.8	0	0	0	110.4	T8 G9 F10 L210 A222 P224 R225 Y275 Y277 L301	T8-F227 WeakPolarHBondContact CA-O 3.27Å; G9-F227 PolarHBondContact N-O 3.15Å; F10-F227 HydrophobicContact CB-CB 4.02Å; F10-F227 HydrophobicContact CB-CD2 3.89Å; F10-F227 HydrophobicContact CB-CG 3.92Å; F10-F227 HydrophobicContact CD2-CB 4.3Å; F10-F227 AromaticContact CD2-CD1 3.56Å; F10-F227 HydrophobicContact CD2-CD1 3.56Å; F10-F227 HydrophobicContact CD2-CD2 4.17Å; F10-F227 AromaticContact CD2-CE1 3.82Å; F10-F227 HydrophobicContact CD2-CE1 3.82Å; F10-F227 HydrophobicContact CD2-CE2 4.41Å; F10-F227 AromaticContact CD2-CG 3.75Å; F10-F227 HydrophobicContact CD2-CG 3.75Å; F10-F227 HydrophobicContact CD2-CZ 4.23Å; F10-F227 HydrophobicContact CE2-CD1 4.25Å; F10-F227 HydrophobicContact CE2-CE1 4.19Å; F10-F227 HydrophobicContact CG-CD2 4.42Å; F10-F227 HydrophobicContact CG-CG 4.31Å; L210-F227 HydrophobicContact CD2-CE2 3.67Å; L210-F227 HydrophobicContact CD2-CZ 3.65Å; A222-F227 HydrophobicContact CB-CE2 3.87Å; A222-F227 HydrophobicContact CB-CZ 3.93Å; P224-F227 PolarHBondContact O-N 2.84Å; R225-F227 VanDerWaalsContact C-N 3.27Å; R225-F227 PolarHBondContact O-N 3.11Å; F227-Y275 AromaticContact CD1-CD2 3.74Å; F227-Y275 HydrophobicContact CD1-CD2 3.74Å; F227-Y275 AromaticContact CD1-CE2 3.99Å; F227-Y275 HydrophobicContact CD1-CE2 3.99Å; F227-Y275 HydrophobicContact CE1-CD2 4.3Å; F227-Y275 HydrophobicContact CE1-CE2 4.12Å; F227-Y277 HydrophobicContact CD1-CD2 4.23Å; F227-Y277 HydrophobicContact CD1-CG 4.3Å; F227-Y277 AromaticContact CD2-CD2 3.85Å; F227-Y277 HydrophobicContact CD2-CD2 3.85Å; F227-Y277 HydrophobicContact CD2-CE2 4.34Å; F227-Y277 HydrophobicContact CE1-CD2 4.13Å; F227-Y277 HydrophobicContact CE1-CG 4.01Å; F227-Y277 AromaticContact CE2-CD2 3.73Å; F227-Y277 HydrophobicContact CE2-CD2 3.73Å; F227-Y277 AromaticContact CE2-CE2 3.99Å; F227-Y277 HydrophobicContact CE2-CE2 3.99Å; F227-Y277 HydrophobicContact CE2-CG 4.35Å; F227-Y277 HydrophobicContact CG-CD2 4.11Å; F227-Y277 AromaticContact CZ-CD2 3.89Å; F227-Y277 HydrophobicContact CZ-CD2 3.89Å; F227-Y277 HydrophobicContact CZ-CE2 4.36Å; F227-Y277 HydrophobicContact CZ-CG 4.03Å; F227-L301 HydrophobicContact CE1-CD1 4.39Å; F227-L301 HydrophobicContact CE1-CD2 4.12Å; F227-L301 HydrophobicContact CE1-CG 4.46Å; F227-L301 HydrophobicContact CZ-CD2 4.2Å
228	L	98.9	Very high	98.6	Very high	43 Å²	43	53.8 Å²	53.8	23%	0.225	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124.1	-172.3	-56.1	-176.2	0	0	0	110.8	Y6 L7 T8 Y275 K276	Y6-L228 HydrophobicContact CD1-CB 4.05Å; Y6-L228 HydrophobicContact CD2-CD1 4.13Å; Y6-L228 HydrophobicContact CG-CB 3.93Å; Y6-L228 HydrophobicContact CG-CD1 4.23Å; L7-L228 CarbonylContact O-C 3.58Å; L7-L228 WeakPolarHBondContact O-CA 3.33Å; T8-L228 HydrophobicContact CG2-CD2 3.41Å; T8-L228 VanDerWaalsContact CG2-CD2 3.41Å; L228-Y275 CarbonylContact O-C 3.58Å; L228-Y275 VanDerWaalsContact O-CA 3.24Å; L228-Y275 WeakPolarHBondContact O-CA 3.41Å; L228-K276 HydrophobicContact CB-CG 3.84Å; L228-K276 PolarHBondContact N-O 3.13Å; L228-K276 PolarHBondContact O-N 3.35Å
229	C	98.8	Very high	98.6	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.014	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	138.2	173.2	177.1	0	0	0	0	109.5	Y6 L7 F14 W268 T273	Y6-C229 CarbonylContact C-O 3.54Å; Y6-C229 WeakPolarHBondContact CA-O 3.49Å; Y6-C229 WeakPolarHBondContact CB-O 3.4Å; L7-C229 HydrophobicContact CB-CB 4.34Å; L7-C229 PolarHBondContact N-O 2.96Å; L7-C229 PolarHBondContact O-N 3.31Å; F14-C229 HydrophobicContact CD2-CB 4.15Å; F14-C229 HydrophobicContact CE2-CB 3.72Å; F14-C229 HydrophobicContact CZ-CB 4.06Å; C229-W268 VanDerWaalsContact SG-CH2 3.56Å; C229-T273 WeakPolarHBondContact SG-CB 3.47Å; C229-T273 PolarHBondContact SG-OG1 2.84Å
230	P	98.8	Very high	98.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	150.3	177.8	28.3	-35.2	0	0	0	111	F169 K171 M172 W268 P274	F169-P230 HydrophobicContact CB-CG 4.08Å; K171-P230 WeakPolarHBondContact O-CB 3.34Å; M172-P230 HydrophobicContact CG-CB 3.88Å; M172-P230 HydrophobicContact CG-CG 3.91Å; M172-P230 HydrophobicContact SD-CG 4.28Å; P230-W268 WeakPolarHBondContact O-CZ2 3.49Å; P230-P274 WeakPolarHBondContact CD-O 3.22Å; P230-P274 HydrophobicContact CG-CG 3.9Å
231	V	98.9	Very high	97.8	Very high	45 Å²	45	54.8 Å²	54.8	27%	0.273	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-79.6	150.9	165.4	-61.8	0	0	0	0	110.3	K5 L7 F169 G170 W233	K5-V231 HydrophobicContact CB-CG1 4.24Å; K5-V231 HydrophobicContact CB-CG2 4.18Å; L7-V231 HydrophobicContact CD2-CG1 4.15Å; L7-V231 HydrophobicContact CG-CG1 4.11Å; F169-V231 CarbonylContact O-C 3.47Å; G170-V231 WeakPolarHBondContact CA-O 3.34Å; V231-W233 PolarHBondContact O-N 3.46Å
232	A	98.9	Very high	97.7	Very high	2 Å²	2	55.4 Å²	55.4	2%	0.017	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-48.8	132.4	176.3	0	0	0	0	0	111.6	S16 F169	S16-A232 WeakPolarHBondContact OG-CB 3.49Å; S16-A232 PolarHBondContact OG-N 3.24Å; F169-A232 WeakPolarHBondContact O-CA 3.43Å; F169-A232 PolarHBondContact O-N 2.84Å
233	W	98.8	Very high	97.7	Very high	64 Å²	64	55.3 Å²	55.3	24%	0.242	29%	0.285	C	S	.	.			trans	-149.9	138.3	175.3	174.2	88.1	0	0	0	108.2	D18 T166 K171 V231 E235 F263	D18-W233 WeakPolarHBondContact OD2-CA 3.48Å; T166-W233 HydrophobicContact CG2-CE3 4.15Å; T166-W233 HydrophobicContact CG2-CZ3 3.72Å; K171-W233 HydrophobicContact CD-CD2 4.13Å; K171-W233 HydrophobicContact CD-CE3 4.32Å; K171-W233 HydrophobicContact CG-CD2 4.38Å; K171-W233 HydrophobicContact CG-CE3 4.28Å; V231-W233 PolarHBondContact O-N 3.46Å; W233-E235 HydrophobicContact CH2-CB 3.74Å; W233-E235 HydrophobicContact CH2-CG 3.77Å; W233-E235 HydrophobicContact CZ2-CB 4.23Å; W233-E235 HydrophobicContact CZ3-CB 4.35Å; W233-E235 HydrophobicContact CZ3-CG 4.08Å; W233-F263 HydrophobicContact CZ3-CB 4.04Å
234	Y	98.9	Very high	97.7	Very high	42 Å²	42	54.5 Å²	54.5	17%	0.165	28%	0.282	C	S	.	.			trans	-132.4	157.1	177.5	81.5	-80.9	0	0	0	113.3	D18 R20 I64 D236 F263 V265 V266	D18-Y234 HydrophobicContact CB-CD1 3.89Å; D18-Y234 HydrophobicContact CB-CE1 4.18Å; D18-Y234 WeakPolarHBondContact OD2-CD1 3.18Å; D18-Y234 PolarHBondContact OD2-N 3.02Å; R20-Y234 VanDerWaalsContact NH2-CD1 3.27Å; R20-Y234 PolarHBondContact NH2-O 2.8Å; I64-Y234 HydrophobicContact CD1-CD2 3.65Å; I64-Y234 HydrophobicContact CD1-CE2 3.86Å; Y234-D236 HydrophobicContact CE2-CB 4.25Å; Y234-F263 CarbonylContact C-O 3.51Å; Y234-F263 WeakPolarHBondContact CA-O 3.39Å; Y234-V265 WeakPolarHBondContact CB-O 3.14Å; Y234-V266 HydrophobicContact CD1-CB 4.39Å; Y234-V266 HydrophobicContact CD1-CG1 4.35Å; Y234-V266 HydrophobicContact CD1-CG2 4Å; Y234-V266 HydrophobicContact CD2-CG2 4.1Å; Y234-V266 HydrophobicContact CE1-CG1 4.39Å; Y234-V266 HydrophobicContact CE1-CG2 4.32Å; Y234-V266 HydrophobicContact CE2-CG2 4.4Å; Y234-V266 HydrophobicContact CG-CG2 3.9Å
235	E	98.4	Very high	97.7	Very high	42 Å²	42	51.4 Å²	51.4	20%	0.196	26%	0.262	C	S	.	.			trans	-122.2	130.1	158.8	57.5	174.2	-162.9	0	0	110.9	W233 R237 S261 F263	W233-E235 HydrophobicContact CH2-CB 3.74Å; W233-E235 HydrophobicContact CH2-CG 3.77Å; W233-E235 HydrophobicContact CZ2-CB 4.23Å; W233-E235 HydrophobicContact CZ3-CB 4.35Å; W233-E235 HydrophobicContact CZ3-CG 4.08Å; E235-R237 VanDerWaalsContact C-N 3.33Å; E235-R237 HydrophobicContact CB-CB 4.26Å; E235-R237 HydrophobicContact CG-CB 4.19Å; E235-R237 PolarHBondContact O-N 2.98Å; E235-R237 IonicContact OE1-CZ 3.49Å; E235-R237 IonicContact OE1-NE 2.66Å; E235-R237 PolarHBondContact OE1-NE 2.83Å; E235-R237 VanDerWaalsContact OE1-NE 3.1Å; E235-R237 IonicContact OE1-NH2 3.52Å; E235-R237 IonicContact OE2-NE 3.37Å; E235-R237 PolarHBondContact OE2-NE 2.93Å; E235-S261 WeakPolarHBondContact OE1-CB 3.24Å; E235-S261 PolarHBondContact OE1-OG 2.83Å; E235-F263 HydrophobicContact CG-CB 4.24Å; E235-F263 PolarHBondContact N-O 3.16Å
236	D	98.4	Very high	97.7	Very high	107 Å²	107	43.5 Å²	43.5	57%	0.572	23%	0.233	S	C	*	.			trans	-92.8	72.4	166.5	-173	11.7	0	0	0	109.1	I64 Y234	I64-D236 HydrophobicContact CD1-CB 3.62Å; Y234-D236 HydrophobicContact CE2-CB 4.25Å
237	R	98.3	Very high	97.7	Very high	78 Å²	78	43.3 Å²	43.3	29%	0.294	23%	0.232	S	C	.	.			trans	-110.1	113.2	-172.4	-166.9	171.8	65.9	84.9	-1.5	110.6	D144 E235 V239 F260 S261	D144-R237 IonicContact OD1-CZ 2.79Å; D144-R237 IonicContact OD1-NH1 3.94Å; D144-R237 PolarHBondContact OD1-NH1 2.79Å; D144-R237 IonicContact OD1-NH2 3.85Å; D144-R237 PolarHBondContact OD1-NH2 2.97Å; E235-R237 VanDerWaalsContact C-N 3.33Å; E235-R237 HydrophobicContact CB-CB 4.26Å; E235-R237 HydrophobicContact CG-CB 4.19Å; E235-R237 PolarHBondContact O-N 2.98Å; E235-R237 IonicContact OE1-CZ 3.49Å; E235-R237 IonicContact OE1-NE 2.66Å; E235-R237 PolarHBondContact OE1-NE 2.83Å; E235-R237 VanDerWaalsContact OE1-NE 3.1Å; E235-R237 IonicContact OE1-NH2 3.52Å; E235-R237 IonicContact OE2-NE 3.37Å; E235-R237 PolarHBondContact OE2-NE 2.93Å; R237-V239 VanDerWaalsContact NH1-CG2 3.29Å; R237-F260 CarbonylContact O-C 3.59Å; R237-F260 VanDerWaalsContact O-CA 3.28Å; R237-F260 WeakPolarHBondContact O-CA 3.44Å; R237-S261 PolarHBondContact O-N 2.93Å
238	K	97.3	Very high	97.6	Very high	170 Å²	170	43.3 Å²	43.3	74%	0.739	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	139.7	168.7	-63.9	-175.3	-177.5	179	0	109.9	D259	K238-D259 WeakPolarHBondContact CA-O 3.48Å
239	V	96.8	Very high	97.6	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.024	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	79.9	177.7	-169.1	0	0	0	0	107.9	D144 R237 S241 G242 Y243 D259	D144-V239 HydrophobicContact CB-CG1 4.31Å; R237-V239 VanDerWaalsContact NH1-CG2 3.29Å; V239-S241 PolarHBondContact O-N 3.23Å; V239-S241 VanDerWaalsContact O-N 3.16Å; V239-G242 WeakPolarHBondContact CG1-O 3.35Å; V239-G242 WeakPolarHBondContact O-CA 3.28Å; V239-G242 PolarHBondContact O-N 3.4Å; V239-Y243 HydrophobicContact CG2-CD2 4.14Å; V239-D259 PolarHBondContact N-O 3.37Å
240	P	90.3	Very high	97.6	Very high	125 Å²	125	50 Å²	50	81%	0.812	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.4	-27.9	-175.5	-24.9	35	0	0	0	113.6	G242	P240-G242 PolarHBondContact O-N 2.91Å
241	S	90.9	Very high	97.5	Very high	107 Å²	107	50.3 Å²	50.3	75%	0.748	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	-11	174.4	48.9	0	0	0	0	114	V239	V239-S241 PolarHBondContact O-N 3.23Å; V239-S241 VanDerWaalsContact O-N 3.16Å
242	G	95.6	Very high	97.5	Very high	20 Å²	20	53.7 Å²	53.7	21%	0.206	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	98.8	129.7	-174.2	0	0	0	0	0	112.5	V239 P240	V239-G242 WeakPolarHBondContact CG1-O 3.35Å; V239-G242 WeakPolarHBondContact O-CA 3.28Å; V239-G242 PolarHBondContact O-N 3.4Å; P240-G242 PolarHBondContact O-N 2.91Å
243	Y	98.6	Very high	97.5	Very high	3 Å²	3	54 Å²	54	1%	0.012	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.5	165.8	-171.7	-74.7	0	0	0	108.8	D144 R145 C146 V239 V245 Q257 Q258 F260 P262 F263	D144-Y243 HydrophobicContact CB-CD2 4.31Å; D144-Y243 WeakPolarHBondContact O-CA 3.21Å; R145-Y243 VanDerWaalsContact C-CZ 3.46Å; R145-Y243 PolarHBondContact O-OH 2.87Å; C146-Y243 HydrophobicContact CB-CE1 3.88Å; C146-Y243 WeakPolarHBondContact CB-OH 3.31Å; C146-Y243 PolarHBondContact N-OH 3.4Å; V239-Y243 HydrophobicContact CG2-CD2 4.14Å; Y243-V245 HydrophobicContact CD1-CG2 4.27Å; Y243-Q257 WeakPolarHBondContact O-CA 3.37Å; Y243-Q257 PolarHBondContact O-OE1 3.02Å; Y243-Q258 HydrophobicContact CD1-CG 4.38Å; Y243-Q258 PolarHBondContact N-O 2.99Å; Y243-Q258 PolarHBondContact O-N 2.77Å; Y243-F260 WeakPolarHBondContact CB-O 3.38Å; Y243-P262 HydrophobicContact CD1-CG 4.32Å; Y243-P262 HydrophobicContact CE1-CG 3.59Å; Y243-F263 WeakPolarHBondContact OH-CE2 3.47Å
244	S	98.7	Very high	97.5	Very high	23 Å²	23	53.7 Å²	53.7	16%	0.161	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	120.6	-175.6	-168.2	0	0	0	0	112.1	D144 R145 C146 C256 Q257	D144-S244 PolarHBondContact O-N 2.68Å; R145-S244 CarbonylContact C-O 3.33Å; R145-S244 WeakPolarHBondContact CA-O 3.17Å; R145-S244 WeakPolarHBondContact CB-O 3.46Å; C146-S244 PolarHBondContact N-O 3.25Å; S244-C256 WeakPolarHBondContact CA-O 3.31Å; S244-Q257 PolarHBondContact OG-NE2 2.87Å
245	V	98.9	Very high	97.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	118.1	173.5	178.9	0	0	0	0	107.6	F73 Y243 A255 C256 Q258	F73-V245 HydrophobicContact CE1-CG1 4.42Å; F73-V245 HydrophobicContact CZ-CG1 4.25Å; Y243-V245 HydrophobicContact CD1-CG2 4.27Å; V245-A255 CarbonylContact O-C 3.54Å; V245-A255 VanDerWaalsContact O-CA 3.27Å; V245-A255 WeakPolarHBondContact O-CA 3.37Å; V245-C256 PolarHBondContact N-O 2.91Å; V245-C256 PolarHBondContact O-N 3.36Å; V245-Q258 HydrophobicContact CG2-CG 4.07Å; V245-Q258 VanDerWaalsContact CG2-OE1 3.23Å
246	I	98.9	Very high	97.5	Very high	9 Å²	9	50.3 Å²	50.3	5%	0.046	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.1	179.9	-61	169.7	0	0	0	109.2	V113 R145 C146 F147 N148 L253 F254 A255	V113-I246 HydrophobicContact CG1-CG2 4.4Å; R145-I246 VanDerWaalsContact NE-CD1 3.27Å; C146-I246 PolarHBondContact O-N 2.69Å; F147-I246 CarbonylContact C-O 3.58Å; F147-I246 VanDerWaalsContact CA-O 3.25Å; F147-I246 WeakPolarHBondContact CA-O 3.47Å; F147-I246 HydrophobicContact CD2-CB 4.09Å; F147-I246 HydrophobicContact CD2-CG2 3.76Å; F147-I246 HydrophobicContact CE2-CG2 4.1Å; N148-I246 PolarHBondContact N-O 2.86Å; N148-I246 PolarHBondContact OD1-O 3.44Å; I246-L253 HydrophobicContact CG2-CD2 4.44Å; I246-F254 CarbonylContact C-O 3.52Å; I246-F254 VanDerWaalsContact CA-O 3.26Å; I246-F254 WeakPolarHBondContact CA-O 3.37Å; I246-A255 HydrophobicContact CG1-CB 4.1Å
247	N	98.9	Very high	97.5	Very high	20 Å²	20	48.5 Å²	48.5	11%	0.107	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.3	179.7	-174.2	17.1	0	0	0	109.6	F73 N148 S150 F254	F73-N247 HydrophobicContact CD1-CB 4.3Å; F73-N247 HydrophobicContact CE1-CB 3.65Å; F73-N247 HydrophobicContact CZ-CB 4.04Å; N148-N247 PolarHBondContact ND2-OD1 3.5Å; N148-N247 WeakPolarHBondContact O-CA 3.39Å; N148-N247 PolarHBondContact O-OD1 3.18Å; N148-N247 WeakPolarHBondContact OD1-CB 3.44Å; S150-N247 VanDerWaalsContact OG-CG 3.27Å; S150-N247 PolarHBondContact OG-ND2 3.49Å; S150-N247 VanDerWaalsContact OG-ND2 3.1Å; S150-N247 PolarHBondContact OG-OD1 2.88Å; N247-F254 PolarHBondContact N-O 3.05Å; N247-F254 PolarHBondContact O-N 3.06Å
248	K	98.8	Very high	97.5	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.017	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	118.5	161.3	177.9	179.1	179.2	-71.9	0	108.5	E83 F147 N148 S150 D151 E202 K252 L253	E83-K248 WeakPolarHBondContact OE1-CE 3.38Å; E83-K248 IonicContact OE1-NZ 2.81Å; E83-K248 PolarHBondContact OE1-NZ 2.8Å; F147-K248 HydrophobicContact CE1-CB 4.48Å; F147-K248 HydrophobicContact CE2-CB 3.89Å; F147-K248 HydrophobicContact CZ-CB 3.48Å; F147-K248 VanDerWaalsContact CZ-CB 3.48Å; F147-K248 HydrophobicContact CZ-CD 4.37Å; N148-K248 PolarHBondContact O-N 3.01Å; S150-K248 WeakPolarHBondContact CA-O 3.46Å; S150-K248 VanDerWaalsContact CB-O 3.26Å; S150-K248 WeakPolarHBondContact CB-O 3.41Å; S150-K248 PolarHBondContact N-O 2.83Å; D151-K248 WeakPolarHBondContact OD2-CG 3.39Å; D151-K248 IonicContact OD2-NZ 3.68Å; D151-K248 PolarHBondContact OD2-NZ 3.39Å; E202-K248 IonicContact OE1-NZ 3.27Å; E202-K248 PolarHBondContact OE1-NZ 2.88Å; E202-K248 WeakPolarHBondContact OE2-CE 3.13Å; E202-K248 IonicContact OE2-NZ 3.47Å; E202-K248 PolarHBondContact OE2-NZ 3.36Å; K248-K252 CarbonylContact C-O 3.53Å; K248-K252 WeakPolarHBondContact CA-O 3.27Å; K248-L253 HydrophobicContact CB-CD2 3.77Å; K248-L253 HydrophobicContact CG-CD2 4.24Å
249	Y	98.7	Very high	97.5	Very high	108 Å²	108	41 Å²	41	42%	0.424	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	121.4	-178.6	178.5	-100.6	0	0	0	110.1	G251 K252 F254	Y249-G251 VanDerWaalsContact C-N 3.29Å; Y249-G251 PolarHBondContact O-N 3.38Å; Y249-K252 PolarHBondContact N-O 2.98Å; Y249-K252 PolarHBondContact O-N 3.09Å; Y249-K252 VanDerWaalsContact O-N 3.1Å; Y249-F254 HydrophobicContact CD1-CE2 4.21Å
250	Q	98	Very high	97.6	Very high	77 Å²	77	41.1 Å²	41.1	36%	0.36	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	47.2	-174.7	-58.6	-177.6	-5.9	0	0	112.4	K126 D151 K252	K126-Q250 HydrophobicContact CG-CB 4.09Å; K126-Q250 HydrophobicContact CG-CG 4.06Å; D151-Q250 VanDerWaalsContact CG-N 3.29Å; D151-Q250 WeakPolarHBondContact OD1-CA 3.5Å; D151-Q250 PolarHBondContact OD1-N 3.05Å; D151-Q250 PolarHBondContact OD2-N 3.08Å; D151-Q250 VanDerWaalsContact OD2-N 3.14Å; Q250-K252 PolarHBondContact O-N 3.27Å
251	G	96.8	Very high	98	Very high	7 Å²	7	35.2 Å²	35.2	7%	0.072	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	9.6	179.3	0	0	0	0	0	115	E83 D151 Y249	E83-G251 WeakPolarHBondContact OE1-CA 3.16Å; E83-G251 WeakPolarHBondContact OE2-CA 3.27Å; D151-G251 PolarHBondContact OD2-N 3.14Å; Y249-G251 VanDerWaalsContact C-N 3.29Å; Y249-G251 PolarHBondContact O-N 3.38Å
252	K	98.4	Very high	98.3	Very high	115 Å²	115	30.1 Å²	30.1	50%	0.5	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	152.4	177.5	-59.9	-60	175.6	-165.3	0	111.4	K248 Y249 Q250 F254	K248-K252 CarbonylContact C-O 3.53Å; K248-K252 WeakPolarHBondContact CA-O 3.27Å; Y249-K252 PolarHBondContact N-O 2.98Å; Y249-K252 PolarHBondContact O-N 3.09Å; Y249-K252 VanDerWaalsContact O-N 3.1Å; Q250-K252 PolarHBondContact O-N 3.27Å; K252-F254 HydrophobicContact CB-CE2 3.77Å; K252-F254 HydrophobicContact CB-CZ 4.26Å
253	L	98.8	Very high	98.5	Very high	10 Å²	10	29.5 Å²	29.5	5%	0.052	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	135.8	175.6	-62.2	-168.9	0	0	0	111.2	V76 C78 L81 V113 F147 I246 K248	V76-L253 HydrophobicContact CG2-CB 3.55Å; V76-L253 PolarHBondContact N-O 3.25Å; C78-L253 HydrophobicContact CB-CG 4.5Å; C78-L253 PolarHBondContact SG-N 3.16Å; C78-L253 VanDerWaalsContact SG-N 3.36Å; L81-L253 HydrophobicContact CD1-CD1 4.09Å; L81-L253 HydrophobicContact CD1-CD2 4.04Å; L81-L253 HydrophobicContact CD1-CG 4.26Å; V113-L253 HydrophobicContact CG1-CD1 4.28Å; F147-L253 HydrophobicContact CE2-CD2 3.86Å; F147-L253 HydrophobicContact CZ-CD2 4.49Å; I246-L253 HydrophobicContact CG2-CD2 4.44Å; K248-L253 HydrophobicContact CB-CD2 3.77Å; K248-L253 HydrophobicContact CG-CD2 4.24Å
254	F	98.9	Very high	98.5	Very high	56 Å²	56	29.5 Å²	29.5	25%	0.246	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	150.5	171.2	-60.8	-95.4	0	0	0	109.4	F73 T74 A75 I246 N247 Y249 K252	F73-F254 HydrophobicContact CB-CB 4.09Å; F73-F254 HydrophobicContact CD1-CB 3.82Å; F73-F254 HydrophobicContact CG-CB 4.3Å; T74-F254 CarbonylContact O-C 3.56Å; T74-F254 WeakPolarHBondContact O-CA 3.14Å; A75-F254 HydrophobicContact CB-CD1 4.13Å; A75-F254 HydrophobicContact CB-CE1 4.03Å; I246-F254 CarbonylContact C-O 3.52Å; I246-F254 VanDerWaalsContact CA-O 3.26Å; I246-F254 WeakPolarHBondContact CA-O 3.37Å; N247-F254 PolarHBondContact N-O 3.05Å; N247-F254 PolarHBondContact O-N 3.06Å; Y249-F254 HydrophobicContact CD1-CE2 4.21Å; K252-F254 HydrophobicContact CB-CE2 3.77Å; K252-F254 HydrophobicContact CB-CZ 4.26Å
255	A	98.7	Very high	98.5	Very high	10 Å²	10	28.4 Å²	28.4	8%	0.083	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	142.6	173.4	0	0	0	0	0	110.8	F73 T74 V76 V245 I246	F73-A255 CarbonylContact C-O 3.47Å; F73-A255 WeakPolarHBondContact CA-O 3.49Å; F73-A255 VanDerWaalsContact CD1-C 3.5Å; T74-A255 PolarHBondContact N-O 3.12Å; T74-A255 PolarHBondContact O-N 3.47Å; T74-A255 PolarHBondContact OG1-O 2.92Å; V76-A255 HydrophobicContact CG1-CB 3.6Å; V76-A255 HydrophobicContact CG2-CB 4.42Å; V245-A255 CarbonylContact O-C 3.54Å; V245-A255 VanDerWaalsContact O-CA 3.27Å; V245-A255 WeakPolarHBondContact O-CA 3.37Å; I246-A255 HydrophobicContact CG1-CB 4.1Å
256	C	98.6	Very high	98.5	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.02	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	170.3	165.1	75.9	0	0	0	0	111	H70 K71 F73 S244 V245	H70-C256 PolarHBondContact ND1-SG 2.66Å; K71-C256 WeakPolarHBondContact O-CB 3.31Å; F73-C256 HydrophobicContact CB-CB 4.48Å; F73-C256 HydrophobicContact CD1-CB 3.68Å; F73-C256 HydrophobicContact CD2-CB 4.16Å; F73-C256 HydrophobicContact CE1-CB 3.84Å; F73-C256 VanDerWaalsContact CE1-SG 3.6Å; F73-C256 HydrophobicContact CE2-CB 4.31Å; F73-C256 HydrophobicContact CG-CB 3.85Å; F73-C256 HydrophobicContact CZ-CB 4.15Å; F73-C256 WeakPolarHBondContact CZ-SG 3.38Å; S244-C256 WeakPolarHBondContact CA-O 3.31Å; V245-C256 PolarHBondContact N-O 2.91Å; V245-C256 PolarHBondContact O-N 3.36Å
257	Q	98.4	Very high	98.5	Very high	69 Å²	69	28.2 Å²	28.2	32%	0.322	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	141.7	-179.8	-62.8	-64.1	-42.1	0	0	110.9	K71 Y243 S244	K71-Q257 WeakPolarHBondContact CB-O 3.37Å; K71-Q257 HydrophobicContact CD-CB 4.3Å; K71-Q257 PolarHBondContact N-O 3.18Å; Y243-Q257 WeakPolarHBondContact O-CA 3.37Å; Y243-Q257 PolarHBondContact O-OE1 3.02Å; S244-Q257 PolarHBondContact OG-NE2 2.87Å
258	Q	98.3	Very high	98.5	Very high	10 Å²	10	27.2 Å²	27.2	5%	0.047	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	160.7	170	56.4	179.6	74	0	0	110.1	H70 R187 Y243 V245 F260	H70-Q258 HydrophobicContact CB-CB 4.31Å; R187-Q258 VanDerWaalsContact NH1-OE1 3.09Å; Y243-Q258 HydrophobicContact CD1-CG 4.38Å; Y243-Q258 PolarHBondContact N-O 2.99Å; Y243-Q258 PolarHBondContact O-N 2.77Å; V245-Q258 HydrophobicContact CG2-CG 4.07Å; V245-Q258 VanDerWaalsContact CG2-OE1 3.23Å; Q258-F260 VanDerWaalsContact C-N 3.34Å; Q258-F260 HydrophobicContact CB-CD1 4.18Å; Q258-F260 HydrophobicContact CB-CE1 3.89Å; Q258-F260 HydrophobicContact CB-CZ 4.47Å; Q258-F260 HydrophobicContact CG-CE1 4.45Å; Q258-F260 WeakPolarHBondContact CG-O 3.17Å; Q258-F260 VanDerWaalsContact NE2-CE2 3.27Å; Q258-F260 PolarHBondContact NE2-O 3.41Å
259	D	97.8	Very high	98.5	Very high	82 Å²	82	28.5 Å²	28.5	44%	0.439	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	14.2	-174.5	62.9	-29.6	0	0	0	113.9	K69 K238 V239	K69-D259 WeakPolarHBondContact CE-OD1 3.24Å; K69-D259 IonicContact NZ-OD1 2.78Å; K69-D259 PolarHBondContact NZ-OD1 2.83Å; K69-D259 IonicContact NZ-OD2 3.56Å; K69-D259 PolarHBondContact NZ-OD2 2.95Å; K238-D259 WeakPolarHBondContact CA-O 3.48Å; V239-D259 PolarHBondContact N-O 3.37Å
260	F	98.4	Very high	98.5	Very high	6 Å²	6	23.3 Å²	23.3	3%	0.026	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	160.9	-174.1	63	-77.7	0	0	0	111.5	L65 K69 R237 Y243 Q258 N264	L65-F260 HydrophobicContact CB-CD2 4.1Å; L65-F260 HydrophobicContact CB-CE1 4.4Å; L65-F260 HydrophobicContact CB-CE2 3.67Å; L65-F260 HydrophobicContact CB-CZ 3.84Å; L65-F260 HydrophobicContact CD1-CB 4.27Å; L65-F260 HydrophobicContact CD1-CD1 3.71Å; L65-F260 HydrophobicContact CD1-CD2 3.9Å; L65-F260 HydrophobicContact CD1-CE1 3.98Å; L65-F260 HydrophobicContact CD1-CE2 4.17Å; L65-F260 HydrophobicContact CD1-CG 3.69Å; L65-F260 HydrophobicContact CD1-CZ 4.21Å; K69-F260 HydrophobicContact CB-CE1 4.07Å; K69-F260 HydrophobicContact CB-CZ 4.08Å; K69-F260 HydrophobicContact CD-CD1 4.44Å; K69-F260 HydrophobicContact CD-CE1 3.72Å; K69-F260 HydrophobicContact CD-CZ 4.34Å; K69-F260 HydrophobicContact CG-CE1 3.99Å; K69-F260 HydrophobicContact CG-CZ 4.49Å; K69-F260 VanDerWaalsContact O-CE1 3.3Å; K69-F260 WeakPolarHBondContact O-CE1 3.43Å; R237-F260 CarbonylContact O-C 3.59Å; R237-F260 VanDerWaalsContact O-CA 3.28Å; R237-F260 WeakPolarHBondContact O-CA 3.44Å; Y243-F260 WeakPolarHBondContact CB-O 3.38Å; Q258-F260 VanDerWaalsContact C-N 3.34Å; Q258-F260 HydrophobicContact CB-CD1 4.18Å; Q258-F260 HydrophobicContact CB-CE1 3.89Å; Q258-F260 HydrophobicContact CB-CZ 4.47Å; Q258-F260 HydrophobicContact CG-CE1 4.45Å; Q258-F260 WeakPolarHBondContact CG-O 3.17Å; Q258-F260 VanDerWaalsContact NE2-CE2 3.27Å; Q258-F260 PolarHBondContact NE2-O 3.41Å; F260-N264 WeakPolarHBondContact CD2-ND2 3.37Å; F260-N264 WeakPolarHBondContact CE2-ND2 3.39Å
261	S	98.6	Very high	98.6	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.007	10%	0.102	C	C	.	.			trans	-70.1	137.2	172.2	-178.2	0	0	0	0	112.5	E235 R237 F263	E235-S261 WeakPolarHBondContact OE1-CB 3.24Å; E235-S261 PolarHBondContact OE1-OG 2.83Å; R237-S261 PolarHBondContact O-N 2.93Å; S261-F263 PolarHBondContact O-N 3.11Å; S261-F263 WeakPolarHBondContact OG-CD2 3.33Å; S261-F263 PolarHBondContact OG-N 3.1Å
262	P	98.6	Very high	98.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	-71.8	-14.4	174.1	32.2	-36.2	0	0	0	112.9	R63 C146 Y243 N264	R63-P262 PolarHBondContact NH2-O 3.36Å; C146-P262 HydrophobicContact CB-CG 4.08Å; Y243-P262 HydrophobicContact CD1-CG 4.32Å; Y243-P262 HydrophobicContact CE1-CG 3.59Å; P262-N264 PolarHBondContact O-N 2.94Å; P262-N264 PolarHBondContact O-OD1 3.44Å
263	F	98.9	Very high	98.7	Very high	6 Å²	6	15.3 Å²	15.3	3%	0.026	8%	0.077	C	C	.	.			trans	-83.3	53.6	179.9	-49.3	-54.5	0	0	0	111.1	C146 T166 W233 Y234 E235 Y243 S261	C146-F263 HydrophobicContact CB-CZ 3.86Å; T166-F263 HydrophobicContact CG2-CB 4.18Å; T166-F263 HydrophobicContact CG2-CD1 3.99Å; T166-F263 HydrophobicContact CG2-CD2 3.68Å; T166-F263 HydrophobicContact CG2-CE1 4.32Å; T166-F263 HydrophobicContact CG2-CE2 4.02Å; T166-F263 HydrophobicContact CG2-CG 3.66Å; T166-F263 HydrophobicContact CG2-CZ 4.34Å; T166-F263 WeakPolarHBondContact O-CE1 3.32Å; W233-F263 HydrophobicContact CZ3-CB 4.04Å; Y234-F263 CarbonylContact C-O 3.51Å; Y234-F263 WeakPolarHBondContact CA-O 3.39Å; E235-F263 HydrophobicContact CG-CB 4.24Å; E235-F263 PolarHBondContact N-O 3.16Å; Y243-F263 WeakPolarHBondContact OH-CE2 3.47Å; S261-F263 PolarHBondContact O-N 3.11Å; S261-F263 WeakPolarHBondContact OG-CD2 3.33Å; S261-F263 PolarHBondContact OG-N 3.1Å
264	N	98.8	Very high	98.7	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.021	7%	0.074	C	C	.	.			trans	-115.6	24.7	-172.5	69.3	-5.4	0	0	0	112.7	R63 I64 L65 F260 P262	R63-N264 CarbonylContact C-O 3.51Å; R63-N264 VanDerWaalsContact CA-O 3.29Å; R63-N264 WeakPolarHBondContact CA-O 3.28Å; R63-N264 PolarHBondContact NE-OD1 3.14Å; R63-N264 PolarHBondContact NH2-OD1 2.96Å; I64-N264 HydrophobicContact CB-CB 4.16Å; I64-N264 HydrophobicContact CD1-CB 4.24Å; I64-N264 HydrophobicContact CG1-CB 4.39Å; I64-N264 PolarHBondContact N-O 2.93Å; L65-N264 PolarHBondContact N-ND2 3.08Å; L65-N264 PolarHBondContact O-ND2 2.88Å; F260-N264 WeakPolarHBondContact CD2-ND2 3.37Å; F260-N264 WeakPolarHBondContact CE2-ND2 3.39Å; P262-N264 PolarHBondContact O-N 2.94Å; P262-N264 PolarHBondContact O-OD1 3.44Å
265	V	98.9	Very high	98.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	109.1	177.6	-178.7	0	0	0	0	109	L61 R63 E168 Y234 A267 W268	L61-V265 HydrophobicContact CB-CG1 4Å; L61-V265 HydrophobicContact CB-CG2 4.26Å; L61-V265 HydrophobicContact CD1-CG2 4.36Å; L61-V265 HydrophobicContact CD2-CG1 4.25Å; R63-V265 HydrophobicContact CB-CB 4.49Å; R63-V265 HydrophobicContact CB-CG2 4.05Å; E168-V265 HydrophobicContact CB-CG2 4.08Å; E168-V265 VanDerWaalsContact O-CB 3.22Å; E168-V265 WeakPolarHBondContact O-CB 3.44Å; E168-V265 WeakPolarHBondContact O-CG2 3.32Å; Y234-V265 WeakPolarHBondContact CB-O 3.14Å; V265-A267 VanDerWaalsContact CG1-O 3.23Å; V265-A267 WeakPolarHBondContact CG1-O 3.35Å; V265-W268 HydrophobicContact CG1-CB 4.13Å
266	V	98.9	Very high	98.7	Very high	4 Å²	4	13 Å²	13	2%	0.024	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	-35.9	-176.7	178.9	0	0	0	0	111.1	D18 C21 L39 Y62 I64 Y234	D18-V266 HydrophobicContact CB-CG1 4.41Å; D18-V266 VanDerWaalsContact CB-O 3.28Å; D18-V266 WeakPolarHBondContact CB-O 3.26Å; D18-V266 PolarHBondContact N-O 3.16Å; C21-V266 HydrophobicContact CB-CG1 3.45Å; C21-V266 VanDerWaalsContact CB-CG1 3.45Å; L39-V266 HydrophobicContact CD1-CB 3.88Å; L39-V266 HydrophobicContact CD1-CG1 4.29Å; L39-V266 HydrophobicContact CD1-CG2 4.34Å; L39-V266 HydrophobicContact CD2-CB 4.18Å; L39-V266 HydrophobicContact CD2-CG2 3.71Å; Y62-V266 PolarHBondContact O-N 3.1Å; I64-V266 HydrophobicContact CD1-CG2 4.29Å; I64-V266 HydrophobicContact CG1-CG2 3.95Å; Y234-V266 HydrophobicContact CD1-CB 4.39Å; Y234-V266 HydrophobicContact CD1-CG1 4.35Å; Y234-V266 HydrophobicContact CD1-CG2 4Å; Y234-V266 HydrophobicContact CD2-CG2 4.1Å; Y234-V266 HydrophobicContact CE1-CG1 4.39Å; Y234-V266 HydrophobicContact CE1-CG2 4.32Å; Y234-V266 HydrophobicContact CE2-CG2 4.4Å; Y234-V266 HydrophobicContact CG-CG2 3.9Å
267	A	98.9	Very high	98.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	157	175.9	0	0	0	0	0	111.2	S16 E17 S24 L25 Y62 V265	S16-A267 CarbonylContact O-C 3.54Å; S16-A267 VanDerWaalsContact O-CA 3.29Å; S16-A267 WeakPolarHBondContact O-CA 3.11Å; S16-A267 WeakPolarHBondContact O-CB 3.5Å; E17-A267 HydrophobicContact CB-CB 4.37Å; E17-A267 HydrophobicContact CG-CB 3.96Å; S24-A267 WeakPolarHBondContact OG-CB 3.39Å; L25-A267 HydrophobicContact CD2-CB 3.74Å; L25-A267 HydrophobicContact CG-CB 3.97Å; Y62-A267 HydrophobicContact CD2-CB 4.49Å; Y62-A267 PolarHBondContact N-O 3.08Å; Y62-A267 PolarHBondContact O-N 3.07Å; V265-A267 VanDerWaalsContact CG1-O 3.23Å; V265-A267 WeakPolarHBondContact CG1-O 3.35Å
268	W	98.9	Very high	98.8	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	154.2	175.9	61.3	-98.9	0	0	0	111.3	L7 F14 S16 W60 L61 F169 C229 P230 V265 T273	L7-W268 HydrophobicContact CD1-CH2 4.1Å; L7-W268 HydrophobicContact CD1-CZ2 4.29Å; F14-W268 HydrophobicContact CB-CH2 3.51Å; F14-W268 HydrophobicContact CB-CZ3 3.51Å; F14-W268 HydrophobicContact CD2-CH2 4.35Å; F14-W268 HydrophobicContact CG-CH2 4.2Å; S16-W268 PolarHBondContact N-O 2.94Å; S16-W268 PolarHBondContact O-N 2.79Å; W60-W268 CarbonylContact O-C 3.51Å; W60-W268 WeakPolarHBondContact O-CA 3.32Å; W60-W268 VanDerWaalsContact O-CB 3.26Å; W60-W268 WeakPolarHBondContact O-CB 3.45Å; L61-W268 HydrophobicContact CD2-CB 3.78Å; F169-W268 HydrophobicContact CB-CZ2 4.46Å; F169-W268 AromaticContact CD1-CD2 3.56Å; F169-W268 HydrophobicContact CD1-CD2 3.56Å; F169-W268 AromaticContact CD1-CE2 3.75Å; F169-W268 AromaticContact CD1-CE3 3.8Å; F169-W268 HydrophobicContact CD1-CE3 3.8Å; F169-W268 AromaticContact CD1-CG 3.89Å; F169-W268 HydrophobicContact CD1-CG 3.89Å; F169-W268 HydrophobicContact CD1-CH2 4.44Å; F169-W268 HydrophobicContact CD1-CZ2 4.22Å; F169-W268 HydrophobicContact CD1-CZ3 4.22Å; F169-W268 HydrophobicContact CE1-CD2 4.16Å; F169-W268 HydrophobicContact CE1-CE3 4.07Å; F169-W268 HydrophobicContact CE1-CG 4.41Å; F169-W268 PolarHBondContact O-NE1 2.84Å; C229-W268 VanDerWaalsContact SG-CH2 3.56Å; P230-W268 WeakPolarHBondContact O-CZ2 3.49Å; V265-W268 HydrophobicContact CG1-CB 4.13Å; W268-T273 HydrophobicContact CE3-CG2 4.31Å; W268-T273 HydrophobicContact CH2-CG2 3.7Å; W268-T273 HydrophobicContact CZ3-CG2 3.47Å; W268-T273 VanDerWaalsContact CZ3-CG2 3.47Å
269	H	98.9	Very high	98.8	Very high	30 Å²	30	10.3 Å²	10.3	14%	0.139	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	150.3	166.7	74.4	88.6	0	0	0	110.6	F14 S15 L25 N30 S59 W60 Y62	F14-H269 CarbonylContact O-C 3.56Å; F14-H269 WeakPolarHBondContact O-CA 3.5Å; F14-H269 VanDerWaalsContact O-CB 3.29Å; F14-H269 WeakPolarHBondContact O-CB 3.45Å; S15-H269 WeakPolarHBondContact OG-CB 3.3Å; L25-H269 HydrophobicContact CD1-CB 4.49Å; L25-H269 HydrophobicContact CD2-CB 4.39Å; N30-H269 PolarHBondContact OD1-CE1 2.94Å; N30-H269 VanDerWaalsContact OD1-CE1 3.27Å; N30-H269 PolarHBondContact OD1-NE2 3.35Å; S59-H269 CarbonylContact C-O 3.5Å; S59-H269 WeakPolarHBondContact CA-O 3.45Å; W60-H269 AromaticContact CD1-CE1 3.63Å; W60-H269 AromaticContact CD1-NE2 3.91Å; W60-H269 AromaticContact CG-CE1 3.97Å; W60-H269 AromaticContact CG-NE2 3.79Å; W60-H269 PolarHBondContact N-O 2.78Å; W60-H269 PolarHBondContact O-N 2.9Å; Y62-H269 AromaticContact CE2-CD2 3.8Å; Y62-H269 PolarHBondContact OH-NE2 2.79Å
270	G	98.9	Very high	98.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.8	-175.1	-178.6	0	0	0	0	0	114.2	E13 F14 R58	E13-G270 WeakPolarHBondContact OE2-CA 3.47Å; F14-G270 PolarHBondContact N-O 3.27Å; F14-G270 PolarHBondContact O-N 3.27Å; R58-G270 WeakPolarHBondContact O-CA 3.46Å
271	N	98.9	Very high	98.9	Very high	20 Å²	20	16 Å²	16	11%	0.107	8%	0.076	C	C	.	.	S	Bend	trans	-121.9	10.4	-179	70.4	-10.8	0	0	0	113.5	N12 E13 N56 K57 R58	N12-N271 VanDerWaalsContact O-CA 3.24Å; N12-N271 WeakPolarHBondContact O-CA 3.21Å; N12-N271 VanDerWaalsContact O-CB 3.23Å; N12-N271 WeakPolarHBondContact O-CB 3.34Å; E13-N271 HydrophobicContact CG-CB 4.19Å; E13-N271 PolarHBondContact OE2-N 2.83Å; N56-N271 PolarHBondContact O-ND2 2.86Å; N56-N271 PolarHBondContact O-OD1 2.82Å; K57-N271 WeakPolarHBondContact CA-OD1 2.99Å; R58-N271 PolarHBondContact N-OD1 3.3Å; R58-N271 PolarHBondContact O-N 2.68Å; R58-N271 VanDerWaalsContact O-N 3.1Å; R58-N271 PolarHBondContact O-OD1 3.31Å
272	Y	98.9	Very high	98.9	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.008	8%	0.079	C	C	.	.			trans	-113.7	88.4	175.3	-171	-121.7	0	0	0	109.1	L44 K57 S59 F169 Q183 Q184 M186 H207	L44-Y272 HydrophobicContact CD1-CE1 4.47Å; L44-Y272 HydrophobicContact CD2-CD1 3.71Å; L44-Y272 HydrophobicContact CD2-CE1 3.73Å; L44-Y272 HydrophobicContact CG-CD1 3.79Å; L44-Y272 HydrophobicContact CG-CE1 3.82Å; K57-Y272 HydrophobicContact CB-CD2 3.7Å; K57-Y272 HydrophobicContact CB-CE2 4.43Å; K57-Y272 HydrophobicContact CB-CG 4.16Å; K57-Y272 HydrophobicContact CG-CD2 4.43Å; S59-Y272 VanDerWaalsContact OG-C 3.3Å; S59-Y272 PolarHBondContact OG-N 3.35Å; S59-Y272 PolarHBondContact OG-O 3.39Å; F169-Y272 WeakPolarHBondContact CE1-O 3.25Å; F169-Y272 WeakPolarHBondContact CZ-O 3.39Å; Q183-Y272 HydrophobicContact CB-CD2 4.26Å; Q183-Y272 HydrophobicContact CB-CE1 4.4Å; Q183-Y272 HydrophobicContact CB-CE2 3.38Å; Q183-Y272 VanDerWaalsContact CB-CZ 3.46Å; Q183-Y272 VanDerWaalsContact CB-OH 3.32Å; Q183-Y272 WeakPolarHBondContact CB-OH 3.44Å; Q183-Y272 VanDerWaalsContact CD-CD2 3.47Å; Q183-Y272 HydrophobicContact CG-CD2 4.48Å; Q183-Y272 HydrophobicContact CG-CE2 3.93Å; Q184-Y272 WeakPolarHBondContact CA-OH 3.49Å; Q184-Y272 PolarHBondContact N-OH 2.89Å; Q184-Y272 PolarHBondContact O-OH 3.3Å; M186-Y272 VanDerWaalsContact CE-C 3.45Å; M186-Y272 HydrophobicContact CE-CD1 3.54Å; M186-Y272 HydrophobicContact CE-CD2 4.22Å; M186-Y272 HydrophobicContact CE-CE1 3.64Å; M186-Y272 HydrophobicContact CE-CE2 4.33Å; M186-Y272 HydrophobicContact CE-CG 3.85Å; M186-Y272 VanDerWaalsContact CE-O 3.22Å; M186-Y272 WeakPolarHBondContact CE-O 3.28Å; H207-Y272 AromaticContact CE1-CE2 3.6Å
273	T	98.9	Very high	98.9	Very high	8 Å²	8	21.1 Å²	21.1	5%	0.049	10%	0.101	C	C	.	.			trans	-131.5	156.6	-170.7	67.9	0	0	0	0	110.9	F14 F169 Q183 C229 W268	F14-T273 HydrophobicContact CD2-CG2 4.21Å; F169-T273 HydrophobicContact CD1-CG2 4.09Å; F169-T273 HydrophobicContact CE1-CG2 4.11Å; Q183-T273 PolarHBondContact NE2-O 2.64Å; C229-T273 WeakPolarHBondContact SG-CB 3.47Å; C229-T273 PolarHBondContact SG-OG1 2.84Å; W268-T273 HydrophobicContact CE3-CG2 4.31Å; W268-T273 HydrophobicContact CH2-CG2 3.7Å; W268-T273 HydrophobicContact CZ3-CG2 3.47Å; W268-T273 VanDerWaalsContact CZ3-CG2 3.47Å
274	P	98.9	Very high	98.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.113	C	C	.	.			trans	-69.8	155	163.3	32.9	-35	0	0	0	109.3	T167 F169 M172 V181 I182 M186 P230	T167-P274 HydrophobicContact CG2-CB 4.15Å; T167-P274 HydrophobicContact CG2-CG 3.98Å; F169-P274 HydrophobicContact CB-CG 3.84Å; F169-P274 HydrophobicContact CD2-CG 4.04Å; F169-P274 VanDerWaalsContact CG-CD 3.42Å; F169-P274 HydrophobicContact CG-CG 4.11Å; M172-P274 HydrophobicContact CE-CB 3.77Å; M172-P274 HydrophobicContact CE-CG 4.48Å; M172-P274 HydrophobicContact SD-CB 4.42Å; V181-P274 WeakPolarHBondContact O-CA 3.34Å; I182-P274 HydrophobicContact CD1-CB 3.65Å; M186-P274 HydrophobicContact SD-CB 4.25Å; M186-P274 HydrophobicContact SD-CG 4.44Å; P230-P274 WeakPolarHBondContact CD-O 3.22Å; P230-P274 HydrophobicContact CG-CG 3.9Å
275	Y	98.9	Very high	98.9	Very high	16 Å²	16	24.5 Å²	24.5	6%	0.063	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	158.4	177.5	55.4	-95.4	0	0	0	112.1	F10 C180 V181 F227 L228 L301	F10-Y275 HydrophobicContact CD2-CE2 4.43Å; F10-Y275 HydrophobicContact CE2-CE1 4.18Å; F10-Y275 AromaticContact CE2-CE2 3.96Å; F10-Y275 HydrophobicContact CE2-CE2 3.96Å; F10-Y275 AromaticContact CE2-CZ 3.67Å; C180-Y275 CarbonylContact C-O 3.55Å; C180-Y275 WeakPolarHBondContact CA-O 3.23Å; C180-Y275 VanDerWaalsContact CB-O 3.28Å; C180-Y275 WeakPolarHBondContact CB-O 3.28Å; V181-Y275 HydrophobicContact CB-CD1 4.34Å; V181-Y275 HydrophobicContact CB-CD2 4.06Å; V181-Y275 HydrophobicContact CB-CE1 3.82Å; V181-Y275 HydrophobicContact CB-CE2 3.52Å; V181-Y275 HydrophobicContact CB-CG 4.46Å; V181-Y275 HydrophobicContact CG1-CE1 3.99Å; V181-Y275 HydrophobicContact CG1-CE2 4.4Å; V181-Y275 HydrophobicContact CG2-CD2 4.23Å; V181-Y275 HydrophobicContact CG2-CE1 4.46Å; V181-Y275 HydrophobicContact CG2-CE2 3.39Å; V181-Y275 WeakPolarHBondContact CG2-OH 3.25Å; V181-Y275 PolarHBondContact N-O 2.93Å; V181-Y275 PolarHBondContact O-N 3.48Å; F227-Y275 AromaticContact CD1-CD2 3.74Å; F227-Y275 HydrophobicContact CD1-CD2 3.74Å; F227-Y275 AromaticContact CD1-CE2 3.99Å; F227-Y275 HydrophobicContact CD1-CE2 3.99Å; F227-Y275 HydrophobicContact CE1-CD2 4.3Å; F227-Y275 HydrophobicContact CE1-CE2 4.12Å; L228-Y275 CarbonylContact O-C 3.58Å; L228-Y275 VanDerWaalsContact O-CA 3.24Å; L228-Y275 WeakPolarHBondContact O-CA 3.41Å; Y275-L301 HydrophobicContact CE2-CD1 4.17Å
276	K	98.9	Very high	98.8	Very high	11 Å²	11	26.5 Å²	26.5	5%	0.048	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	157.2	171.2	67.6	170.9	-66.7	-164	0	111.6	Y6 M172 M173 V174 E178 I179 C180 L228	Y6-K276 HydrophobicContact CE1-CD 4.04Å; M172-K276 HydrophobicContact CB-CD 4.45Å; M172-K276 HydrophobicContact SD-CB 4.21Å; M172-K276 HydrophobicContact SD-CG 4.37Å; M173-K276 WeakPolarHBondContact O-CD 3.43Å; M173-K276 WeakPolarHBondContact O-CE 3.24Å; M173-K276 PolarHBondContact O-NZ 2.75Å; V174-K276 HydrophobicContact CG2-CB 4.45Å; E178-K276 VanDerWaalsContact CD-CE 3.49Å; E178-K276 WeakPolarHBondContact OE1-CE 3.47Å; E178-K276 IonicContact OE1-NZ 3.54Å; E178-K276 PolarHBondContact OE1-NZ 2.85Å; E178-K276 VanDerWaalsContact OE2-CE 3.28Å; E178-K276 WeakPolarHBondContact OE2-CE 3.4Å; E178-K276 IonicContact OE2-NZ 3.21Å; E178-K276 PolarHBondContact OE2-NZ 3.29Å; I179-K276 CarbonylContact O-C 3.53Å; I179-K276 WeakPolarHBondContact O-CA 3.17Å; I179-K276 VanDerWaalsContact O-CB 3.31Å; I179-K276 WeakPolarHBondContact O-CB 3.28Å; C180-K276 HydrophobicContact CB-CB 3.95Å; L228-K276 HydrophobicContact CB-CG 3.84Å; L228-K276 PolarHBondContact N-O 3.13Å; L228-K276 PolarHBondContact O-N 3.35Å
277	Y	98.9	Very high	98.7	Very high	1 Å²	1	27.7 Å²	27.7	0%	0.004	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	138.5	178.6	174.7	-101.4	0	0	0	110.4	E178 I179 A222 D226 F227 L279 N281 F282 V300	E178-Y277 CarbonylContact C-O 3.59Å; E178-Y277 VanDerWaalsContact CA-O 3.24Å; E178-Y277 WeakPolarHBondContact CA-O 3.38Å; E178-Y277 WeakPolarHBondContact CB-O 3.4Å; I179-Y277 HydrophobicContact CD1-CD1 4.4Å; I179-Y277 HydrophobicContact CG1-CD1 4.4Å; I179-Y277 PolarHBondContact N-O 2.64Å; I179-Y277 PolarHBondContact O-N 2.87Å; A222-Y277 HydrophobicContact CB-CE1 4.28Å; A222-Y277 HydrophobicContact CB-CE2 4.19Å; D226-Y277 HydrophobicContact CB-CD2 4.11Å; D226-Y277 HydrophobicContact CB-CE2 3.73Å; F227-Y277 HydrophobicContact CD1-CD2 4.23Å; F227-Y277 HydrophobicContact CD1-CG 4.3Å; F227-Y277 AromaticContact CD2-CD2 3.85Å; F227-Y277 HydrophobicContact CD2-CD2 3.85Å; F227-Y277 HydrophobicContact CD2-CE2 4.34Å; F227-Y277 HydrophobicContact CE1-CD2 4.13Å; F227-Y277 HydrophobicContact CE1-CG 4.01Å; F227-Y277 AromaticContact CE2-CD2 3.73Å; F227-Y277 HydrophobicContact CE2-CD2 3.73Å; F227-Y277 AromaticContact CE2-CE2 3.99Å; F227-Y277 HydrophobicContact CE2-CE2 3.99Å; F227-Y277 HydrophobicContact CE2-CG 4.35Å; F227-Y277 HydrophobicContact CG-CD2 4.11Å; F227-Y277 AromaticContact CZ-CD2 3.89Å; F227-Y277 HydrophobicContact CZ-CD2 3.89Å; F227-Y277 HydrophobicContact CZ-CE2 4.36Å; F227-Y277 HydrophobicContact CZ-CG 4.03Å; Y277-L279 HydrophobicContact CD1-CD2 3.91Å; Y277-L279 HydrophobicContact CE1-CD2 3.99Å; Y277-N281 HydrophobicContact CE2-CB 4.48Å; Y277-F282 WeakPolarHBondContact OH-CA 3.42Å; Y277-F282 PolarHBondContact OH-N 3.48Å; Y277-F282 VanDerWaalsContact OH-N 3.09Å; Y277-V300 HydrophobicContact CD1-CG1 4.1Å; Y277-V300 HydrophobicContact CE1-CG1 4.02Å
278	N	98.9	Very high	98.7	Very high	24 Å²	24	33.9 Å²	33.9	13%	0.128	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	117.1	177.6	-164.8	-42	0	0	0	110.3	N177 E178 K280 N281	N177-N278 PolarHBondContact O-OD1 2.8Å; E178-N278 HydrophobicContact CG-CB 4.05Å; E178-N278 PolarHBondContact OE1-ND2 2.8Å; E178-N278 VanDerWaalsContact OE1-ND2 3.16Å; N278-K280 HydrophobicContact CB-CG 4.45Å; N278-K280 WeakPolarHBondContact ND2-CE 3.36Å; N278-K280 PolarHBondContact O-N 2.89Å; N278-K280 WeakPolarHBondContact OD1-CB 3.31Å; N278-K280 WeakPolarHBondContact OD1-CD 3.48Å; N278-K280 WeakPolarHBondContact OD1-CG 3.49Å; N278-K280 PolarHBondContact OD1-N 3.27Å; N278-K280 VanDerWaalsContact OD1-N 3.12Å; N278-N281 WeakPolarHBondContact O-CB 3.34Å; N278-N281 PolarHBondContact O-N 3.35Å
279	L	98.9	Very high	98.6	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-62.6	-20.4	-175.1	-58.8	179.5	0	0	0	112.9	N177 I179 Y277 N281 F282 F315 I317 I346 M396	N177-L279 VanDerWaalsContact O-CB 3.32Å; N177-L279 WeakPolarHBondContact O-CB 3.45Å; N177-L279 WeakPolarHBondContact O-CG 3.45Å; N177-L279 PolarHBondContact O-N 2.98Å; I179-L279 HydrophobicContact CD1-CD2 4.5Å; I179-L279 HydrophobicContact CG2-CD1 4.17Å; I179-L279 HydrophobicContact CG2-CD2 3.98Å; I179-L279 HydrophobicContact CG2-CG 4.22Å; Y277-L279 HydrophobicContact CD1-CD2 3.91Å; Y277-L279 HydrophobicContact CE1-CD2 3.99Å; L279-N281 PolarHBondContact O-N 2.98Å; L279-F282 WeakPolarHBondContact O-CB 3.47Å; L279-F282 PolarHBondContact O-N 3.48Å; L279-F315 HydrophobicContact CD2-CE1 4.06Å; L279-F315 HydrophobicContact CD2-CZ 4.33Å; L279-I317 HydrophobicContact CB-CD1 4.46Å; L279-I317 HydrophobicContact CD1-CG2 4.22Å; L279-I317 HydrophobicContact CD2-CD1 4.4Å; L279-I317 HydrophobicContact CD2-CG2 4.1Å; L279-I346 HydrophobicContact CD1-CD1 3.64Å; L279-M396 HydrophobicContact CB-CE 3.96Å; L279-M396 HydrophobicContact CB-SD 4.35Å; L279-M396 HydrophobicContact CD1-CG 3.92Å; L279-M396 HydrophobicContact CD1-SD 4.25Å
280	K	98.5	Very high	98.6	Very high	146 Å²	146	41.2 Å²	41.2	64%	0.635	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-65	-21.2	174.9	84.5	-167.1	175.5	-179.7	0	113.4	N177 N278 F282	N177-K280 PolarHBondContact ND2-N 2.9Å; N278-K280 HydrophobicContact CB-CG 4.45Å; N278-K280 WeakPolarHBondContact ND2-CE 3.36Å; N278-K280 PolarHBondContact O-N 2.89Å; N278-K280 WeakPolarHBondContact OD1-CB 3.31Å; N278-K280 WeakPolarHBondContact OD1-CD 3.48Å; N278-K280 WeakPolarHBondContact OD1-CG 3.49Å; N278-K280 PolarHBondContact OD1-N 3.27Å; N278-K280 VanDerWaalsContact OD1-N 3.12Å; K280-F282 VanDerWaalsContact C-N 3.28Å
281	N	98.8	Very high	98.6	Very high	61 Å²	61	46 Å²	46	33%	0.326	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-86.7	-2.3	-178.5	-64.1	-12.8	0	0	0	112.3	D226 Y277 N278 L279 M283	D226-N281 HydrophobicContact CB-CB 4.18Å; Y277-N281 HydrophobicContact CE2-CB 4.48Å; N278-N281 WeakPolarHBondContact O-CB 3.34Å; N278-N281 PolarHBondContact O-N 3.35Å; L279-N281 PolarHBondContact O-N 2.98Å; N281-M283 PolarHBondContact O-N 3.01Å
282	F	98.9	Very high	98.6	Very high	16 Å²	16	47 Å²	47	7%	0.07	25%	0.25	C	S	.	.			trans	-64.3	120.9	178.9	-170.2	-97.4	0	0	0	110.5	L221 A222 Y277 L279 K280 A284 F298 V300 I317 P319	L221-F282 VanDerWaalsContact C-CD2 3.44Å; L221-F282 VanDerWaalsContact C-CE2 3.48Å; L221-F282 HydrophobicContact CB-CD2 4.49Å; L221-F282 HydrophobicContact CB-CE2 3.63Å; L221-F282 HydrophobicContact CB-CZ 3.76Å; L221-F282 HydrophobicContact CD2-CE1 4.24Å; L221-F282 HydrophobicContact CD2-CE2 4.49Å; L221-F282 HydrophobicContact CD2-CZ 3.74Å; L221-F282 HydrophobicContact CG-CZ 4.28Å; A222-F282 HydrophobicContact CB-CD2 4.07Å; A222-F282 HydrophobicContact CB-CE2 4.29Å; Y277-F282 WeakPolarHBondContact OH-CA 3.42Å; Y277-F282 PolarHBondContact OH-N 3.48Å; Y277-F282 VanDerWaalsContact OH-N 3.09Å; L279-F282 WeakPolarHBondContact O-CB 3.47Å; L279-F282 PolarHBondContact O-N 3.48Å; K280-F282 VanDerWaalsContact C-N 3.28Å; F282-A284 HydrophobicContact CD1-CB 4.11Å; F282-A284 HydrophobicContact CE1-CB 4.32Å; F282-A284 PolarHBondContact O-N 3.07Å; F282-A284 VanDerWaalsContact O-N 3.09Å; F282-F298 HydrophobicContact CE1-CD1 4.22Å; F282-V300 HydrophobicContact CD2-CG2 3.83Å; F282-V300 HydrophobicContact CE2-CB 4.49Å; F282-V300 HydrophobicContact CE2-CG2 3.74Å; F282-I317 HydrophobicContact CB-CD1 3.79Å; F282-I317 HydrophobicContact CD1-CD1 3.94Å; F282-I317 HydrophobicContact CD1-CG1 4.43Å; F282-I317 HydrophobicContact CD2-CD1 4.05Å; F282-I317 HydrophobicContact CG-CD1 3.67Å; F282-I317 HydrophobicContact CG-CG1 4.46Å; F282-P319 HydrophobicContact CD1-CG 4.13Å
283	M	98.8	Very high	98.5	Very high	93 Å²	93	48 Å²	48	46%	0.458	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-82.3	88	175.4	-167.6	-79.9	168.7	0	0	107.9	L221 N281 I285	L221-M283 WeakPolarHBondContact CA-O 3.45Å; L221-M283 PolarHBondContact N-O 2.84Å; L221-M283 PolarHBondContact O-N 3.31Å; N281-M283 PolarHBondContact O-N 3.01Å; M283-I285 HydrophobicContact CE-CD1 3.7Å; M283-I285 PolarHBondContact O-N 3.41Å; M283-I285 HydrophobicContact SD-CD1 3.34Å; M283-I285 WeakPolarHBondContact SD-CD1 3.4Å; M283-I285 HydrophobicContact SD-CG1 4.01Å
284	A	98.5	Very high	98.5	Very high	35 Å²	35	52.3 Å²	52.3	29%	0.289	28%	0.282	S	S	.	.			trans	-63.7	125.8	-177	0	0	0	0	0	111.3	F282 F298 P319	F282-A284 HydrophobicContact CD1-CB 4.11Å; F282-A284 HydrophobicContact CE1-CB 4.32Å; F282-A284 PolarHBondContact O-N 3.07Å; F282-A284 VanDerWaalsContact O-N 3.09Å; A284-F298 HydrophobicContact CB-CE1 4.49Å; A284-P319 HydrophobicContact CB-CG 4.1Å
285	I	98.6	Very high	98.5	Very high	46 Å²	46	53.7 Å²	53.7	24%	0.236	29%	0.291	C	S	.	.			trans	-104.6	141.3	171	-58.6	-66.3	0	0	0	108.2	I216 L221 M283 I297 F298	I216-I285 HydrophobicContact CD1-CG1 4.43Å; I216-I285 HydrophobicContact CG2-CG1 4.3Å; L221-I285 HydrophobicContact CD2-CB 4.24Å; L221-I285 HydrophobicContact CD2-CG1 3.97Å; M283-I285 HydrophobicContact CE-CD1 3.7Å; M283-I285 PolarHBondContact O-N 3.41Å; M283-I285 HydrophobicContact SD-CD1 3.34Å; M283-I285 WeakPolarHBondContact SD-CD1 3.4Å; M283-I285 HydrophobicContact SD-CG1 4.01Å; I285-I297 HydrophobicContact CB-CD1 4.29Å; I285-I297 HydrophobicContact CB-CG1 4.16Å; I285-I297 HydrophobicContact CG2-CD1 3.77Å; I285-I297 HydrophobicContact CG2-CG1 4.13Å; I285-F298 WeakPolarHBondContact O-CE1 3.34Å
286	N	98.3	Very high	98.5	Very high	42 Å²	42	56.3 Å²	56.3	23%	0.225	31%	0.312	C	S	.	.			trans	-158.7	-175.8	174.3	-147.6	-87.5	0	0	0	111.5	F298	N286-F298 WeakPolarHBondContact ND2-CZ 3.05Å
287	C	96.8	Very high	98.5	Very high	29 Å²	29	57.5 Å²	57.5	20%	0.196	32%	0.318	C	S	.	.			trans	-59	139.6	169.7	66.8	0	0	0	0	111.1	F290 D291	C287-F290 WeakPolarHBondContact CB-O 3.48Å; C287-D291 PolarHBondContact SG-O 3.49Å
288	V	98.2	Very high	98.5	Very high	131 Å²	131	57.5 Å²	57.5	79%	0.794	32%	0.318	S	S	*	.	S	Bend	trans	-122.7	17.4	173.1	-62.9	0	0	0	0	111.7
289	A	98.3	Very high	98.5	Very high	50 Å²	50	56.7 Å²	56.7	41%	0.413	31%	0.314	S	S	.	.	S	Bend	trans	-139.9	-77	-178.3	0	0	0	0	0	110.8	A325 D326	A289-A325 CarbonylContact O-C 3.59Å; A289-A325 WeakPolarHBondContact O-CA 3.44Å; A289-D326 PolarHBondContact O-N 3.12Å
290	F	98.2	Very high	98.5	Very high	133 Å²	133	56.7 Å²	56.7	58%	0.583	31%	0.314	S	S	*	.	S	Bend	trans	-149.8	176.8	-177.6	60	-93.4	0	0	0	110.7	C287	C287-F290 WeakPolarHBondContact CB-O 3.48Å
291	D	98.5	Very high	98.5	Very high	102 Å²	102	49.7 Å²	49.7	55%	0.545	28%	0.284	S	S	.	.	S	Bend	trans	63.2	173.4	-175.6	-70.5	-11.8	0	0	0	114.7	C287 T328	C287-D291 PolarHBondContact SG-O 3.49Å; D291-T328 PolarHBondContact N-OG1 3.04Å
292	H	98.3	Very high	98.5	Very high	39 Å²	39	47.5 Å²	47.5	18%	0.181	27%	0.273	C	S	.	.			trans	-107.9	118.1	174.3	-173.1	103.5	0	0	0	108.4	R330 P331 Y333	H292-R330 PolarHBondContact CE1-O 3.05Å; H292-R330 PolarHBondContact ND1-O 3.12Å; H292-P331 PolarHBondContact ND1-O 3.05Å; H292-Y333 HydrophobicContact CB-CD1 4.26Å; H292-Y333 AromaticContact CD2-CD1 3.98Å; H292-Y333 AromaticContact CD2-CE1 3.85Å
293	A	98.4	Very high	98.5	Very high	24 Å²	24	46.8 Å²	46.8	20%	0.198	27%	0.269	C	S	.	.			trans	-68.9	145.1	179.3	0	0	0	0	0	111.7	I297	A293-I297 HydrophobicContact CB-CD1 4.16Å; A293-I297 HydrophobicContact CB-CG2 4.23Å
294	D	98.6	Very high	98.4	Very high	99 Å²	99	46.9 Å²	46.9	53%	0.529	27%	0.267	S	S	.	.			trans	-54.2	141.6	175	-61.9	-28.6	0	0	0	111.2	S296 I297 Y333	D294-S296 PolarHBondContact O-N 3.21Å; D294-S296 VanDerWaalsContact O-N 3.08Å; D294-I297 WeakPolarHBondContact O-CB 3.39Å; D294-I297 VanDerWaalsContact O-CG2 3.25Å; D294-I297 WeakPolarHBondContact O-CG2 3.18Å; D294-I297 PolarHBondContact O-N 3.22Å; D294-I297 VanDerWaalsContact O-N 3.1Å; D294-Y333 PolarHBondContact OD1-OH 3.15Å; D294-Y333 VanDerWaalsContact OD1-OH 3.07Å
295	P	98.4	Very high	98.3	Very high	29 Å²	29	46.5 Å²	46.5	19%	0.188	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-66.4	-15.9	-173.4	26.2	-35.1	0	0	0	114	I297 F298 V316 F318 M399	P295-I297 PolarHBondContact O-N 3.35Å; P295-I297 VanDerWaalsContact O-N 3.11Å; P295-F298 PolarHBondContact O-N 2.99Å; P295-V316 VanDerWaalsContact O-CG1 3.23Å; P295-V316 WeakPolarHBondContact O-CG1 3.43Å; P295-F318 HydrophobicContact CB-CE1 4.18Å; P295-F318 HydrophobicContact CB-CZ 4.38Å; P295-M399 HydrophobicContact CB-CE 4.5Å
296	S	98.6	Very high	98.1	Very high	70 Å²	70	50.9 Å²	50.9	49%	0.49	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-58.7	-19.9	172.3	60.5	0	0	0	0	113.1	D294 F298 T299	D294-S296 PolarHBondContact O-N 3.21Å; D294-S296 VanDerWaalsContact O-N 3.08Å; S296-F298 PolarHBondContact O-N 3.14Å; S296-F298 VanDerWaalsContact O-N 3.11Å; S296-T299 WeakPolarHBondContact O-CB 3.41Å; S296-T299 PolarHBondContact O-N 3.47Å; S296-T299 VanDerWaalsContact O-N 3.14Å; S296-T299 PolarHBondContact O-OG1 3.47Å
297	I	98.8	Very high	98	Very high	37 Å²	37	55.5 Å²	55.5	19%	0.19	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-63.8	-13.2	171.8	-152.8	163.9	0	0	0	113.1	L221 I285 A293 D294 P295	L221-I297 WeakPolarHBondContact CD2-O 3.21Å; I285-I297 HydrophobicContact CB-CD1 4.29Å; I285-I297 HydrophobicContact CB-CG1 4.16Å; I285-I297 HydrophobicContact CG2-CD1 3.77Å; I285-I297 HydrophobicContact CG2-CG1 4.13Å; A293-I297 HydrophobicContact CB-CD1 4.16Å; A293-I297 HydrophobicContact CB-CG2 4.23Å; D294-I297 WeakPolarHBondContact O-CB 3.39Å; D294-I297 VanDerWaalsContact O-CG2 3.25Å; D294-I297 WeakPolarHBondContact O-CG2 3.18Å; D294-I297 PolarHBondContact O-N 3.22Å; D294-I297 VanDerWaalsContact O-N 3.1Å; P295-I297 PolarHBondContact O-N 3.35Å; P295-I297 VanDerWaalsContact O-N 3.11Å
298	F	98.8	Very high	98	Very high	1 Å²	1	60 Å²	60	0%	0.004	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-107.1	16.2	176.8	-54	-60.8	0	0	0	114.2	F282 A284 I285 N286 P295 S296 V300 V316 I317 F318	F282-F298 HydrophobicContact CE1-CD1 4.22Å; A284-F298 HydrophobicContact CB-CE1 4.49Å; I285-F298 WeakPolarHBondContact O-CE1 3.34Å; N286-F298 WeakPolarHBondContact ND2-CZ 3.05Å; P295-F298 PolarHBondContact O-N 2.99Å; S296-F298 PolarHBondContact O-N 3.14Å; S296-F298 VanDerWaalsContact O-N 3.11Å; F298-V300 PolarHBondContact O-N 3.32Å; F298-V316 HydrophobicContact CB-CG1 3.76Å; F298-I317 WeakPolarHBondContact CB-O 3.05Å; F298-I317 WeakPolarHBondContact CG-O 3.41Å; F298-I317 PolarHBondContact O-N 2.85Å; F298-I317 VanDerWaalsContact O-N 3.16Å; F298-F318 HydrophobicContact CD2-CD1 4.29Å; F298-F318 HydrophobicContact CD2-CE1 4.45Å; F298-F318 HydrophobicContact CE2-CD1 4.48Å
299	T	98.9	Very high	97.7	Very high	7 Å²	7	58.1 Å²	58.1	4%	0.043	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	126.4	174.7	-62.8	0	0	0	0	111.2	P211 S296	P211-T299 HydrophobicContact CB-CG2 3.99Å; P211-T299 HydrophobicContact CG-CG2 3.97Å; S296-T299 WeakPolarHBondContact O-CB 3.41Å; S296-T299 PolarHBondContact O-N 3.47Å; S296-T299 VanDerWaalsContact O-N 3.14Å; S296-T299 PolarHBondContact O-OG1 3.47Å
300	V	98.9	Very high	97.7	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-49.4	174.4	178.2	0	0	0	0	110.3	I179 A222 Y277 F282 F298 F315 I317	I179-V300 HydrophobicContact CD1-CG1 4.26Å; A222-V300 HydrophobicContact CB-CG1 3.98Å; Y277-V300 HydrophobicContact CD1-CG1 4.1Å; Y277-V300 HydrophobicContact CE1-CG1 4.02Å; F282-V300 HydrophobicContact CD2-CG2 3.83Å; F282-V300 HydrophobicContact CE2-CB 4.49Å; F282-V300 HydrophobicContact CE2-CG2 3.74Å; F298-V300 PolarHBondContact O-N 3.32Å; V300-F315 HydrophobicContact CB-CD1 3.72Å; V300-F315 HydrophobicContact CB-CE1 3.98Å; V300-F315 HydrophobicContact CG1-CD1 4.07Å; V300-F315 HydrophobicContact CG1-CE1 4.11Å; V300-F315 HydrophobicContact CG2-CD1 4.3Å; V300-F315 HydrophobicContact CG2-CE1 4.16Å; V300-F315 PolarHBondContact N-O 3.42Å; V300-I317 HydrophobicContact CG2-CB 4.28Å; V300-I317 HydrophobicContact CG2-CD1 3.8Å; V300-I317 HydrophobicContact CG2-CG1 3.66Å; V300-I317 HydrophobicContact CG2-CG2 3.75Å
301	L	98.9	Very high	97.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	147.2	178.6	-73.7	170.4	0	0	0	109.6	F10 L155 I179 V181 F208 E209 L210 F227 Y275 F315	F10-L301 HydrophobicContact CE2-CD2 3.85Å; F10-L301 HydrophobicContact CZ-CD2 4.14Å; L155-L301 HydrophobicContact CD1-CB 4.46Å; L155-L301 HydrophobicContact CD1-CD1 3.98Å; I179-L301 HydrophobicContact CD1-CD1 4.05Å; V181-L301 HydrophobicContact CG2-CD1 4.09Å; F208-L301 HydrophobicContact CB-CB 4.22Å; F208-L301 HydrophobicContact CB-CD1 4.16Å; F208-L301 HydrophobicContact CB-CD2 4.33Å; F208-L301 HydrophobicContact CB-CG 4.47Å; F208-L301 HydrophobicContact CD1-CB 4.16Å; E209-L301 WeakPolarHBondContact O-CA 3.37Å; E209-L301 WeakPolarHBondContact O-CD2 3.19Å; L210-L301 HydrophobicContact CD2-CD2 4.21Å; F227-L301 HydrophobicContact CE1-CD1 4.39Å; F227-L301 HydrophobicContact CE1-CD2 4.12Å; F227-L301 HydrophobicContact CE1-CG 4.46Å; F227-L301 HydrophobicContact CZ-CD2 4.2Å; Y275-L301 HydrophobicContact CE2-CD1 4.17Å; L301-F315 PolarHBondContact N-O 2.92Å; L301-F315 PolarHBondContact O-N 3.47Å
302	T	98.9	Very high	97.6	Very high	15 Å²	15	47.1 Å²	47.1	9%	0.092	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146.5	177.4	-175.1	0	0	0	0	110.6	F208 E209 P211 A311 D314	F208-T302 CarbonylContact C-O 3.53Å; F208-T302 WeakPolarHBondContact CA-O 3.5Å; E209-T302 PolarHBondContact N-O 2.9Å; E209-T302 PolarHBondContact O-N 2.85Å; P211-T302 HydrophobicContact CB-CG2 4.43Å; T302-A311 WeakPolarHBondContact OG1-CB 3.43Å; T302-D314 WeakPolarHBondContact CB-OD1 3.09Å; T302-D314 PolarHBondContact OG1-OD1 2.89Å
303	A	98.8	Very high	97.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118.9	170.1	0	0	0	0	0	108.8	V203 A206 F208 A311 I312 A313	V203-A303 HydrophobicContact CB-CB 4.39Å; V203-A303 HydrophobicContact CG1-CB 4.03Å; V203-A303 HydrophobicContact CG2-CB 4.35Å; A206-A303 HydrophobicContact CB-CB 4.29Å; F208-A303 HydrophobicContact CD1-CB 4.1Å; F208-A303 HydrophobicContact CE1-CB 4.19Å; A303-A311 CarbonylContact O-C 3.54Å; A303-A311 VanDerWaalsContact O-CA 3.3Å; A303-A311 WeakPolarHBondContact O-CA 3.43Å; A303-A311 WeakPolarHBondContact O-CB 3.49Å; A303-I312 HydrophobicContact CB-CD1 4.11Å; A303-I312 HydrophobicContact CB-CG1 3.73Å; A303-I312 VanDerWaalsContact O-CG1 3.27Å; A303-I312 WeakPolarHBondContact O-CG1 3.49Å; A303-I312 PolarHBondContact O-N 2.88Å; A303-A313 PolarHBondContact N-O 2.89Å; A303-A313 PolarHBondContact O-N 2.97Å
304	K	97.4	Very high	97.7	Very high	95 Å²	95	45.3 Å²	45.3	41%	0.413	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	144	-173.2	-69.2	170.3	178.3	155.2	0	112.2	E209	E209-K304 IonicContact OE1-NZ 2.79Å; E209-K304 IonicContact OE2-NZ 3.62Å; E209-K304 PolarHBondContact OE2-NZ 3.18Å
305	S	96.6	Very high	97.7	Very high	27 Å²	27	40.6 Å²	40.6	19%	0.189	25%	0.252	C	S	.	.			trans	-87.7	177.6	163.3	83	0	0	0	0	111.6	K307 V310 I312	S305-K307 PolarHBondContact O-N 2.94Å; S305-K307 PolarHBondContact OG-N 2.88Å; S305-K307 PolarHBondContact OG-O 3.21Å; S305-V310 WeakPolarHBondContact CB-O 3.26Å; S305-V310 PolarHBondContact N-O 2.97Å; S305-V310 PolarHBondContact OG-O 3.38Å; S305-I312 VanDerWaalsContact CB-CG2 3.46Å
306	T	93.7	Very high	97.7	Very high	139 Å²	139	39.2 Å²	39.2	85%	0.853	24%	0.243	S	C	*	.	S	Bend	trans	-70.8	-13.9	170.4	55.3	0	0	0	0	113.1
307	K	96.3	Very high	97.7	Very high	138 Å²	138	35.9 Å²	35.9	60%	0.6	22%	0.22	S	C	*	.	S	Bend	trans	-92.2	117.9	175.2	-177.3	175	172.9	-171.5	0	109.4	S305 G309 V310	S305-K307 PolarHBondContact O-N 2.94Å; S305-K307 PolarHBondContact OG-N 2.88Å; S305-K307 PolarHBondContact OG-O 3.21Å; K307-G309 PolarHBondContact O-N 2.82Å; K307-V310 HydrophobicContact CB-CB 4.18Å; K307-V310 HydrophobicContact CB-CG2 4.37Å; K307-V310 HydrophobicContact CD-CB 4.35Å; K307-V310 HydrophobicContact CD-CG2 3.74Å; K307-V310 HydrophobicContact CG-CB 4.26Å; K307-V310 HydrophobicContact CG-CG2 3.89Å; K307-V310 PolarHBondContact O-N 3.1Å; K307-V310 VanDerWaalsContact O-N 3.08Å
308	P	96	Very high	97.7	Very high	124 Å²	124	34.8 Å²	34.8	81%	0.805	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	134.8	179.4	-26.6	35.1	0	0	0	112.4	V310	P308-V310 PolarHBondContact O-N 3.49Å
309	G	92.8	Very high	97.7	Very high	92 Å²	92	35 Å²	35	95%	0.948	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.4	1.4	-179.1	0	0	0	0	0	115.2	K307	K307-G309 PolarHBondContact O-N 2.82Å
310	V	97.1	Very high	97.7	Very high	40 Å²	40	36.8 Å²	36.8	24%	0.242	23%	0.227	C	C	.	.			trans	-115.1	118.7	175.6	-178.9	0	0	0	0	109.1	S305 K307 P308 S403	S305-V310 WeakPolarHBondContact CB-O 3.26Å; S305-V310 PolarHBondContact N-O 2.97Å; S305-V310 PolarHBondContact OG-O 3.38Å; K307-V310 HydrophobicContact CB-CB 4.18Å; K307-V310 HydrophobicContact CB-CG2 4.37Å; K307-V310 HydrophobicContact CD-CB 4.35Å; K307-V310 HydrophobicContact CD-CG2 3.74Å; K307-V310 HydrophobicContact CG-CB 4.26Å; K307-V310 HydrophobicContact CG-CG2 3.89Å; K307-V310 PolarHBondContact O-N 3.1Å; K307-V310 VanDerWaalsContact O-N 3.08Å; P308-V310 PolarHBondContact O-N 3.49Å; V310-S403 VanDerWaalsContact CG1-CB 3.45Å
311	A	98.2	Very high	97.6	Very high	10 Å²	10	38 Å²	38	8%	0.083	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	141.4	174.2	0	0	0	0	0	110.5	T302 A303 D314 S403	T302-A311 WeakPolarHBondContact OG1-CB 3.43Å; A303-A311 CarbonylContact O-C 3.54Å; A303-A311 VanDerWaalsContact O-CA 3.3Å; A303-A311 WeakPolarHBondContact O-CA 3.43Å; A303-A311 WeakPolarHBondContact O-CB 3.49Å; A311-D314 VanDerWaalsContact CB-OD2 3.24Å; A311-D314 WeakPolarHBondContact CB-OD2 3.45Å; A311-S403 VanDerWaalsContact O-CB 3.27Å; A311-S403 WeakPolarHBondContact O-CB 3.01Å; A311-S403 PolarHBondContact O-OG 3.07Å; A311-S403 VanDerWaalsContact O-OG 3.12Å
312	I	98	Very high	97.6	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.015	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	-32.4	163.4	58.4	169.6	0	0	0	110.4	I131 V203 A206 A303 S305 S402 F404	I131-I312 HydrophobicContact CG2-CB 4.41Å; I131-I312 HydrophobicContact CG2-CD1 4.44Å; V203-I312 HydrophobicContact CB-CD1 3.86Å; V203-I312 HydrophobicContact CG1-CD1 4.18Å; A206-I312 HydrophobicContact CB-CD1 3.91Å; A303-I312 HydrophobicContact CB-CD1 4.11Å; A303-I312 HydrophobicContact CB-CG1 3.73Å; A303-I312 VanDerWaalsContact O-CG1 3.27Å; A303-I312 WeakPolarHBondContact O-CG1 3.49Å; A303-I312 PolarHBondContact O-N 2.88Å; S305-I312 VanDerWaalsContact CB-CG2 3.46Å; I312-S402 WeakPolarHBondContact O-CA 3.2Å; I312-S402 WeakPolarHBondContact O-CB 3.12Å; I312-S402 PolarHBondContact O-OG 2.8Å; I312-F404 HydrophobicContact CB-CE2 3.9Å; I312-F404 HydrophobicContact CG2-CE2 3.68Å; I312-F404 HydrophobicContact CG2-CZ 4.17Å
313	A	98.8	Very high	97.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	141.5	170.1	0	0	0	0	0	113	I131 L201 V203 A303 E401	I131-A313 HydrophobicContact CG2-CB 4.2Å; L201-A313 HydrophobicContact CD1-CB 4.25Å; L201-A313 HydrophobicContact CD2-CB 3.77Å; V203-A313 HydrophobicContact CG1-CB 4.08Å; A303-A313 PolarHBondContact N-O 2.89Å; A303-A313 PolarHBondContact O-N 2.97Å; A313-E401 CarbonylContact C-O 3.58Å; A313-E401 WeakPolarHBondContact CA-O 3.36Å
314	D	98.9	Very high	97.5	Very high	25 Å²	25	46.7 Å²	46.7	13%	0.134	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.6	165.8	-70	-56.7	0	0	0	109.5	T302 A311 V316 F400 E401	T302-D314 WeakPolarHBondContact CB-OD1 3.09Å; T302-D314 PolarHBondContact OG1-OD1 2.89Å; A311-D314 VanDerWaalsContact CB-OD2 3.24Å; A311-D314 WeakPolarHBondContact CB-OD2 3.45Å; D314-V316 HydrophobicContact CB-CG2 4.1Å; D314-F400 WeakPolarHBondContact O-CA 3.31Å; D314-E401 PolarHBondContact N-O 2.99Å; D314-E401 PolarHBondContact O-N 3.27Å
315	F	98.9	Very high	97.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	106.5	167.9	174	-120.9	0	0	0	109.1	L155 V157 I179 L279 V300 L301 I317 F398 F400	L155-F315 HydrophobicContact CD1-CB 3.77Å; L155-F315 HydrophobicContact CD1-CD1 3.87Å; L155-F315 HydrophobicContact CD1-CG 3.82Å; L155-F315 HydrophobicContact CD2-CD1 4.45Å; L155-F315 HydrophobicContact CD2-CD2 4.38Å; L155-F315 HydrophobicContact CD2-CE2 4.48Å; L155-F315 HydrophobicContact CD2-CG 4.33Å; V157-F315 HydrophobicContact CG2-CE2 4.15Å; V157-F315 HydrophobicContact CG2-CZ 4.32Å; I179-F315 HydrophobicContact CD1-CD1 4.07Å; I179-F315 HydrophobicContact CD1-CE1 3.69Å; I179-F315 HydrophobicContact CG2-CE1 3.9Å; I179-F315 HydrophobicContact CG2-CZ 3.82Å; L279-F315 HydrophobicContact CD2-CE1 4.06Å; L279-F315 HydrophobicContact CD2-CZ 4.33Å; V300-F315 HydrophobicContact CB-CD1 3.72Å; V300-F315 HydrophobicContact CB-CE1 3.98Å; V300-F315 HydrophobicContact CG1-CD1 4.07Å; V300-F315 HydrophobicContact CG1-CE1 4.11Å; V300-F315 HydrophobicContact CG2-CD1 4.3Å; V300-F315 HydrophobicContact CG2-CE1 4.16Å; V300-F315 PolarHBondContact N-O 3.42Å; L301-F315 PolarHBondContact N-O 2.92Å; L301-F315 PolarHBondContact O-N 3.47Å; F315-I317 HydrophobicContact CE1-CG2 3.91Å; F315-I317 HydrophobicContact CE2-CG2 4.23Å; F315-I317 HydrophobicContact CZ-CG2 3.63Å; F315-F398 HydrophobicContact CD2-CB 4.5Å; F315-F398 HydrophobicContact CD2-CD2 4.2Å; F315-F398 HydrophobicContact CE2-CB 3.67Å; F315-F398 AromaticContact CE2-CD2 3.67Å; F315-F398 HydrophobicContact CE2-CD2 3.67Å; F315-F398 AromaticContact CE2-CG 3.8Å; F315-F398 HydrophobicContact CE2-CG 3.8Å; F315-F398 HydrophobicContact CZ-CB 4.29Å; F315-F400 AromaticContact CD2-CD1 3.64Å; F315-F400 HydrophobicContact CD2-CD1 3.64Å; F315-F400 AromaticContact CD2-CE1 3.36Å; F315-F400 HydrophobicContact CD2-CE1 3.36Å; F315-F400 HydrophobicContact CE2-CD1 4.39Å; F315-F400 AromaticContact CE2-CE1 3.78Å; F315-F400 HydrophobicContact CE2-CE1 3.78Å; F315-F400 HydrophobicContact CG-CD1 4.5Å; F315-F400 HydrophobicContact CG-CE1 4.28Å
316	V	98.9	Very high	97.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	144.5	-175.9	-178.5	0	0	0	0	109	P295 F298 D314 F318 F398 M399	P295-V316 VanDerWaalsContact O-CG1 3.23Å; P295-V316 WeakPolarHBondContact O-CG1 3.43Å; F298-V316 HydrophobicContact CB-CG1 3.76Å; D314-V316 HydrophobicContact CB-CG2 4.1Å; V316-F318 HydrophobicContact CG1-CZ 4.4Å; V316-F398 CarbonylContact O-C 3.5Å; V316-F398 WeakPolarHBondContact O-CA 3.47Å; V316-F398 VanDerWaalsContact O-CB 3.25Å; V316-F398 WeakPolarHBondContact O-CB 3.37Å; V316-M399 HydrophobicContact CB-CB 4.23Å; V316-M399 HydrophobicContact CB-CE 4.41Å; V316-M399 HydrophobicContact CG2-CE 4.4Å; V316-M399 PolarHBondContact N-O 2.81Å; V316-M399 PolarHBondContact O-N 2.96Å
317	I	98.9	Very high	97.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	161.3	175.3	62.5	169.1	0	0	0	112	L279 F282 F298 V300 F315 P319 M396 F398	L279-I317 HydrophobicContact CB-CD1 4.46Å; L279-I317 HydrophobicContact CD1-CG2 4.22Å; L279-I317 HydrophobicContact CD2-CD1 4.4Å; L279-I317 HydrophobicContact CD2-CG2 4.1Å; F282-I317 HydrophobicContact CB-CD1 3.79Å; F282-I317 HydrophobicContact CD1-CD1 3.94Å; F282-I317 HydrophobicContact CD1-CG1 4.43Å; F282-I317 HydrophobicContact CD2-CD1 4.05Å; F282-I317 HydrophobicContact CG-CD1 3.67Å; F282-I317 HydrophobicContact CG-CG1 4.46Å; F298-I317 WeakPolarHBondContact CB-O 3.05Å; F298-I317 WeakPolarHBondContact CG-O 3.41Å; F298-I317 PolarHBondContact O-N 2.85Å; F298-I317 VanDerWaalsContact O-N 3.16Å; V300-I317 HydrophobicContact CG2-CB 4.28Å; V300-I317 HydrophobicContact CG2-CD1 3.8Å; V300-I317 HydrophobicContact CG2-CG1 3.66Å; V300-I317 HydrophobicContact CG2-CG2 3.75Å; F315-I317 HydrophobicContact CE1-CG2 3.91Å; F315-I317 HydrophobicContact CE2-CG2 4.23Å; F315-I317 HydrophobicContact CZ-CG2 3.63Å; I317-P319 HydrophobicContact CD1-CB 4.04Å; I317-P319 HydrophobicContact CD1-CG 4.12Å; I317-P319 HydrophobicContact CG1-CG 4.26Å; I317-P319 WeakPolarHBondContact O-CD 3.4Å; I317-M396 HydrophobicContact CB-SD 4.13Å; I317-M396 HydrophobicContact CD1-SD 4.25Å; I317-F398 HydrophobicContact CG2-CB 4.14Å
318	F	98.4	Very high	97.9	Very high	14 Å²	14	40.4 Å²	40.4	6%	0.061	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	81.6	171.1	-57.5	-86.3	0	0	0	108.3	P295 F298 V316 M343 Y350 A397 M399	P295-F318 HydrophobicContact CB-CE1 4.18Å; P295-F318 HydrophobicContact CB-CZ 4.38Å; F298-F318 HydrophobicContact CD2-CD1 4.29Å; F298-F318 HydrophobicContact CD2-CE1 4.45Å; F298-F318 HydrophobicContact CE2-CD1 4.48Å; V316-F318 HydrophobicContact CG1-CZ 4.4Å; F318-M343 HydrophobicContact CD2-CE 3.96Å; F318-M343 HydrophobicContact CD2-SD 4.32Å; F318-M343 HydrophobicContact CE2-CE 3.72Å; F318-M343 HydrophobicContact CE2-SD 3.49Å; F318-M343 WeakPolarHBondContact CE2-SD 3.26Å; F318-M343 HydrophobicContact CZ-SD 4.13Å; F318-Y350 HydrophobicContact CB-CE2 4.24Å; F318-Y350 HydrophobicContact CD1-CE2 4.33Å; F318-Y350 HydrophobicContact CD2-CE2 4.17Å; F318-Y350 AromaticContact CG-CE2 3.98Å; F318-Y350 HydrophobicContact CG-CE2 3.98Å; F318-A397 HydrophobicContact CB-CB 4.18Å; F318-A397 HydrophobicContact CD2-CB 4.03Å; F318-A397 PolarHBondContact N-O 2.94Å; F318-M399 HydrophobicContact CE2-CB 4.1Å; F318-M399 HydrophobicContact CZ-CE 4.5Å
319	P	98.1	Very high	98	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.032	22%	0.216	C	C	.	.			trans	-84	167.9	-169.9	34.8	-32.7	0	0	0	111.5	F282 A284 I317 R321 M396	F282-P319 HydrophobicContact CD1-CG 4.13Å; A284-P319 HydrophobicContact CB-CG 4.1Å; I317-P319 HydrophobicContact CD1-CB 4.04Å; I317-P319 HydrophobicContact CD1-CG 4.12Å; I317-P319 HydrophobicContact CG1-CG 4.26Å; I317-P319 WeakPolarHBondContact O-CD 3.4Å; P319-R321 PolarHBondContact O-N 2.95Å; P319-R321 PolarHBondContact O-NH1 3.45Å; P319-M396 HydrophobicContact CB-CE 3.87Å; P319-M396 HydrophobicContact CB-SD 4.12Å
320	P	98.3	Very high	98.2	Very high	46 Å²	46	34.2 Å²	34.2	30%	0.299	18%	0.176	S	C	.	.	S	Bend	trans	-54.2	129.2	166	-21	30.1	0	0	0	111.1	V391 A392	P320-V391 VanDerWaalsContact CA-O 3.31Å; P320-V391 WeakPolarHBondContact CA-O 3.28Å; P320-A392 WeakPolarHBondContact CG-O 3.49Å
321	R	98.2	Very high	98.1	Very high	24 Å²	24	32.6 Å²	32.6	9%	0.091	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	170.5	-174.3	65.3	-169.9	-176.2	-78.6	-0.1	112.3	P319 E351 V391	P319-R321 PolarHBondContact O-N 2.95Å; P319-R321 PolarHBondContact O-NH1 3.45Å; R321-E351 IonicContact CZ-OE1 2.78Å; R321-E351 IonicContact NH1-OE1 2.67Å; R321-E351 IonicContact NH2-OE1 2.77Å; R321-E351 PolarHBondContact NH2-OE1 2.7Å; R321-E351 IonicContact NH2-OE2 2.7Å; R321-E351 PolarHBondContact NH2-OE2 2.86Å; R321-V391 HydrophobicContact CG-CB 4.08Å; R321-V391 PolarHBondContact N-O 2.83Å; R321-V391 PolarHBondContact O-N 3.39Å
322	W	98.5	Very high	98	Very high	145 Å²	145	33.3 Å²	33.3	55%	0.549	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	133.5	167.9	-80.3	106.9	0	0	0	110.2	V324 P388 E389 R390	W322-V324 HydrophobicContact CB-CG1 4.3Å; W322-P388 HydrophobicContact CE3-CB 4.34Å; W322-P388 HydrophobicContact CZ3-CB 4.12Å; W322-E389 WeakPolarHBondContact CA-O 3.35Å; W322-E389 VanDerWaalsContact CE3-O 3.26Å; W322-R390 VanDerWaalsContact CE2-CD 3.42Å; W322-R390 HydrophobicContact CE3-CG 4.41Å; W322-R390 HydrophobicContact CH2-CG 4.11Å; W322-R390 HydrophobicContact CZ2-CG 4.27Å; W322-R390 HydrophobicContact CZ3-CG 4.18Å
323	G	98	Very high	98	Very high	12 Å²	12	36.9 Å²	36.9	12%	0.124	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	117.7	166.5	0	0	0	0	0	109.5	R330 P388 E389	G323-R330 PolarHBondContact O-NH1 3.42Å; G323-P388 WeakPolarHBondContact O-CA 3.42Å; G323-E389 PolarHBondContact N-O 3.27Å; G323-E389 PolarHBondContact O-N 2.96Å
324	V	98.4	Very high	97.9	Very high	41 Å²	41	42 Å²	42	25%	0.248	20%	0.204	C	C	.	.			trans	-134.7	2	-173.7	-59.7	0	0	0	0	113.9	W322 D326 P388	W322-V324 HydrophobicContact CB-CG1 4.3Å; V324-D326 PolarHBondContact O-N 2.93Å; V324-P388 HydrophobicContact CG1-CB 4.12Å
325	A	98.4	Very high	97.9	Very high	3 Å²	3	42.9 Å²	42.9	3%	0.025	21%	0.207	C	C	.	.			trans	-60.8	124.5	-177.3	0	0	0	0	0	111.7	A289 T328 R330	A289-A325 CarbonylContact O-C 3.59Å; A289-A325 WeakPolarHBondContact O-CA 3.44Å; A325-T328 HydrophobicContact CB-CG2 3.82Å; A325-R330 HydrophobicContact CB-CG 4.35Å; A325-R330 PolarHBondContact O-NE 2.93Å; A325-R330 PolarHBondContact O-NH2 3.3Å
326	D	97.7	Very high	97.9	Very high	93 Å²	93	50.8 Å²	50.8	50%	0.497	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	147.9	177	-75.4	-35.6	0	0	0	111.2	A289 V324 T328	A289-D326 PolarHBondContact O-N 3.12Å; V324-D326 PolarHBondContact O-N 2.93Å; D326-T328 WeakPolarHBondContact O-CB 3.39Å; D326-T328 PolarHBondContact O-N 3.24Å; D326-T328 PolarHBondContact O-OG1 2.95Å
327	N	96.9	Very high	97.7	Very high	158 Å²	158	51.8 Å²	51.8	85%	0.845	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.7	34	178.2	-56.6	-56.5	0	0	0	114.1	L386	N327-L386 VanDerWaalsContact N-CD1 3.28Å
328	T	98.1	Very high	97.6	Very high	14 Å²	14	55.2 Å²	55.2	9%	0.086	27%	0.265	C	S	.	.	S	Bend	trans	-127	137.3	-167.8	-66.4	0	0	0	0	110.4	D291 A325 D326 R330	D291-T328 PolarHBondContact N-OG1 3.04Å; A325-T328 HydrophobicContact CB-CG2 3.82Å; D326-T328 WeakPolarHBondContact O-CB 3.39Å; D326-T328 PolarHBondContact O-N 3.24Å; D326-T328 PolarHBondContact O-OG1 2.95Å; T328-R330 PolarHBondContact O-N 3.01Å; T328-R330 VanDerWaalsContact O-N 3.13Å
329	F	97.6	Very high	97.6	Very high	60 Å²	60	55.7 Å²	55.7	26%	0.263	27%	0.268	S	S	.	.			trans	-72.6	100.4	163.3	-177.1	-96.7	0	0	0	108.6	P331 P373 F378 N381	F329-P331 HydrophobicContact CD1-CB 4.41Å; F329-P331 HydrophobicContact CD1-CG 4.44Å; F329-P331 HydrophobicContact CE1-CB 3.69Å; F329-P331 HydrophobicContact CE1-CG 3.86Å; F329-P331 HydrophobicContact CE2-CG 4.25Å; F329-P331 HydrophobicContact CZ-CB 3.97Å; F329-P331 HydrophobicContact CZ-CG 3.75Å; F329-P373 HydrophobicContact CE1-CG 3.92Å; F329-P373 HydrophobicContact CZ-CB 4.45Å; F329-P373 HydrophobicContact CZ-CG 4.12Å; F329-F378 AromaticContact CE2-CD2 3.97Å; F329-F378 HydrophobicContact CE2-CD2 3.97Å; F329-F378 HydrophobicContact CZ-CD2 4.15Å; F329-N381 HydrophobicContact CD2-CB 4.14Å; F329-N381 HydrophobicContact CE2-CB 3.73Å; F329-N381 HydrophobicContact CZ-CB 4.39Å
330	R	97	Very high	97.6	Very high	26 Å²	26	55.5 Å²	55.5	10%	0.098	27%	0.267	C	S	.	.			trans	-71.5	-30.8	-169.3	-68.9	-176	176.5	174	1.6	116.6	H292 G323 A325 T328 L386 K387 E389	H292-R330 PolarHBondContact CE1-O 3.05Å; H292-R330 PolarHBondContact ND1-O 3.12Å; G323-R330 PolarHBondContact O-NH1 3.42Å; A325-R330 HydrophobicContact CB-CG 4.35Å; A325-R330 PolarHBondContact O-NE 2.93Å; A325-R330 PolarHBondContact O-NH2 3.3Å; T328-R330 PolarHBondContact O-N 3.01Å; T328-R330 VanDerWaalsContact O-N 3.13Å; R330-L386 HydrophobicContact CG-CD2 4.39Å; R330-K387 PolarHBondContact NH1-O 3.38Å; R330-K387 PolarHBondContact NH2-O 2.77Å; R330-E389 WeakPolarHBondContact CD-OE1 3.48Å; R330-E389 IonicContact CZ-OE1 3.32Å; R330-E389 IonicContact NH1-OE1 3.97Å; R330-E389 PolarHBondContact NH1-OE1 2.94Å
331	P	95.8	Very high	97.7	Very high	6 Å²	6	54 Å²	54	4%	0.039	26%	0.256	C	S	.	.	S	Bend	trans	-60.5	165.9	173.6	-22.8	33.3	0	0	0	112.1	H292 F329 Y333 P373 N381	H292-P331 PolarHBondContact ND1-O 3.05Å; F329-P331 HydrophobicContact CD1-CB 4.41Å; F329-P331 HydrophobicContact CD1-CG 4.44Å; F329-P331 HydrophobicContact CE1-CB 3.69Å; F329-P331 HydrophobicContact CE1-CG 3.86Å; F329-P331 HydrophobicContact CE2-CG 4.25Å; F329-P331 HydrophobicContact CZ-CB 3.97Å; F329-P331 HydrophobicContact CZ-CG 3.75Å; P331-Y333 PolarHBondContact O-N 2.69Å; P331-P373 HydrophobicContact CB-CG 4.03Å; P331-N381 HydrophobicContact CG-CB 3.58Å; P331-N381 WeakPolarHBondContact CG-ND2 3.45Å
332	P	96.3	Very high	97.7	Very high	25 Å²	25	52.9 Å²	52.9	16%	0.162	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-50.5	140.1	171.5	-26.5	35.4	0	0	0	111.6	A352 P373	P332-A352 HydrophobicContact CG-CB 4.24Å; P332-P373 WeakPolarHBondContact O-CD 3.34Å; P332-P373 WeakPolarHBondContact O-CG 3.48Å
333	Y	97.1	Very high	97.7	Very high	77 Å²	77	46.4 Å²	46.4	30%	0.302	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-69.8	158	177.3	44.2	-96.6	0	0	0	111.6	H292 D294 P331 H335	H292-Y333 HydrophobicContact CB-CD1 4.26Å; H292-Y333 AromaticContact CD2-CD1 3.98Å; H292-Y333 AromaticContact CD2-CE1 3.85Å; D294-Y333 PolarHBondContact OD1-OH 3.15Å; D294-Y333 VanDerWaalsContact OD1-OH 3.07Å; P331-Y333 PolarHBondContact O-N 2.69Å; Y333-H335 HydrophobicContact CD2-CB 4Å; Y333-H335 HydrophobicContact CE2-CB 4.08Å; Y333-H335 AromaticContact CE2-CD2 3.67Å; Y333-H335 AromaticContact CE2-CG 3.88Å; Y333-H335 PolarHBondContact O-N 2.9Å
334	Y	98.1	Very high	97.7	Very high	107 Å²	107	45.9 Å²	45.9	42%	0.42	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-61.4	130.3	167.5	-69.9	-72.1	0	0	0	109.6	P373 F378 L430	Y334-P373 WeakPolarHBondContact CE1-O 3.26Å; Y334-F378 HydrophobicContact CE2-CD2 4.09Å; Y334-L430 HydrophobicContact CE1-CD1 3.99Å; Y334-L430 VanDerWaalsContact OH-CD2 3.24Å; Y334-L430 WeakPolarHBondContact OH-CD2 3.49Å
335	H	98.4	Very high	97.7	Very high	44 Å²	44	43.9 Å²	43.9	20%	0.204	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-141	149	-160.2	-173.4	-142.3	0	0	0	112.9	Y333 N337 E341 P370 H371	Y333-H335 HydrophobicContact CD2-CB 4Å; Y333-H335 HydrophobicContact CE2-CB 4.08Å; Y333-H335 AromaticContact CE2-CD2 3.67Å; Y333-H335 AromaticContact CE2-CG 3.88Å; Y333-H335 PolarHBondContact O-N 2.9Å; H335-N337 VanDerWaalsContact CE1-CB 3.44Å; H335-N337 WeakPolarHBondContact CE1-CB 3.4Å; H335-E341 IonicContact CE1-OE1 3.1Å; H335-E341 PolarHBondContact CE1-OE1 3.37Å; H335-E341 IonicContact ND1-OE1 3.76Å; H335-P370 WeakPolarHBondContact O-CA 3.49Å; H335-H371 AromaticContact CG-CE1 3.88Å; H335-H371 AromaticContact CG-NE2 3.61Å; H335-H371 PolarHBondContact N-O 3.25Å; H335-H371 AromaticContact ND1-CE1 3.38Å; H335-H371 PolarHBondContact ND1-CE1 3.19Å; H335-H371 AromaticContact ND1-NE2 3.07Å; H335-H371 PolarHBondContact ND1-NE2 2.65Å; H335-H371 PolarHBondContact O-N 2.97Å
336	R	98.3	Very high	97.7	Very high	167 Å²	167	43.9 Å²	43.9	63%	0.63	21%	0.209	S	C	*	.			trans	-142.6	123.9	171.2	-71.4	164.9	60.9	-152.8	-4.4	106.5	P370	R336-P370 HydrophobicContact CG-CB 3.93Å; R336-P370 HydrophobicContact CG-CG 3.95Å
337	N	95.8	Very high	97.7	Very high	21 Å²	21	43.6 Å²	43.6	11%	0.112	20%	0.204	C	C	.	.			trans	-122.5	151.9	-167.8	-163.6	-5.3	0	0	0	112.4	H335 M339 E341 M368 E401	H335-N337 VanDerWaalsContact CE1-CB 3.44Å; H335-N337 WeakPolarHBondContact CE1-CB 3.4Å; N337-M339 VanDerWaalsContact C-N 3.25Å; N337-M339 WeakPolarHBondContact ND2-CB 3.45Å; N337-M339 PolarHBondContact OD1-N 3.32Å; N337-M339 VanDerWaalsContact OD1-N 3.13Å; N337-E341 WeakPolarHBondContact CB-OE1 3.23Å; N337-E341 PolarHBondContact ND2-OE1 3.27Å; N337-M368 WeakPolarHBondContact O-CA 3.48Å; N337-M368 PolarHBondContact O-N 3.46Å; N337-E401 PolarHBondContact ND2-OE1 2.92Å
338	C	97.3	Very high	97.5	Very high	71 Å²	71	37.1 Å²	37.1	48%	0.48	18%	0.175	S	C	.	.	S	Bend	trans	-75.4	-15.3	167	61.9	0	0	0	0	113.1	M367 M368	C338-M367 WeakPolarHBondContact O-CE 3.48Å; C338-M367 WeakPolarHBondContact O-CG 3.48Å; C338-M368 HydrophobicContact CB-CE 3.85Å
339	M	98.2	Very high	97	Very high	24 Å²	24	42.6 Å²	42.6	12%	0.118	20%	0.199	C	C	.	.	S	Bend	trans	-88.4	164.5	173.2	-46.2	-64.4	-84.3	0	0	110.8	N337 E401 S402 S403	N337-M339 VanDerWaalsContact C-N 3.25Å; N337-M339 WeakPolarHBondContact ND2-CB 3.45Å; N337-M339 PolarHBondContact OD1-N 3.32Å; N337-M339 VanDerWaalsContact OD1-N 3.13Å; M339-E401 HydrophobicContact CB-CG 3.44Å; M339-E401 VanDerWaalsContact CB-CG 3.44Å; M339-E401 WeakPolarHBondContact CB-OE1 3.31Å; M339-E401 HydrophobicContact CE-CG 4.1Å; M339-E401 HydrophobicContact CG-CG 3.88Å; M339-E401 WeakPolarHBondContact CG-OE1 3.4Å; M339-S402 CarbonylContact C-O 3.51Å; M339-S402 WeakPolarHBondContact CA-O 3.25Å; M339-S402 WeakPolarHBondContact CB-O 3.41Å; M339-S403 VanDerWaalsContact CE-N 3.32Å
340	S	98.4	Very high	96.1	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	142.8	162	62.4	0	0	0	0	110.2	H365 E401 S402 F404 M406	S340-H365 WeakPolarHBondContact CA-O 3.44Å; S340-E401 CarbonylContact O-C 3.52Å; S340-E401 WeakPolarHBondContact O-CA 3.25Å; S340-S402 PolarHBondContact N-O 3.26Å; S340-S402 PolarHBondContact O-N 2.74Å; S340-F404 PolarHBondContact OG-O 2.78Å; S340-M406 WeakPolarHBondContact O-CE 3.42Å; S340-M406 WeakPolarHBondContact OG-CE 3.49Å; S340-M406 WeakPolarHBondContact OG-CG 3.12Å
341	E	98.7	Very high	94.9	Very high	15 Å²	15	42.8 Å²	42.8	7%	0.07	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	108.6	-166.6	-65.2	173.2	-152.9	0	0	109.9	H335 N337 L364 H365 H371 M399 E401	H335-E341 IonicContact CE1-OE1 3.1Å; H335-E341 PolarHBondContact CE1-OE1 3.37Å; H335-E341 IonicContact ND1-OE1 3.76Å; N337-E341 WeakPolarHBondContact CB-OE1 3.23Å; N337-E341 PolarHBondContact ND2-OE1 3.27Å; E341-L364 WeakPolarHBondContact O-CA 3.28Å; E341-H365 HydrophobicContact CB-CB 4.32Å; E341-H365 PolarHBondContact N-O 3.01Å; E341-H365 PolarHBondContact O-N 3.44Å; E341-H371 IonicContact OE1-CE1 3.83Å; E341-H371 PolarHBondContact OE1-CE1 3.01Å; E341-H371 IonicContact OE1-NE2 3.15Å; E341-H371 IonicContact OE2-CE1 3.82Å; E341-H371 IonicContact OE2-NE2 3.54Å; E341-H371 PolarHBondContact OE2-NE2 3.38Å; E341-M399 HydrophobicContact CB-CG 4.38Å; E341-M399 HydrophobicContact CB-SD 3.64Å; E341-M399 HydrophobicContact CG-SD 3.65Å; E341-E401 HydrophobicContact CG-CG 4.32Å
342	F	98.8	Very high	93.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	113	169.3	178.2	-88.3	0	0	0	110	W97 I119 I133 Y199 S363 L364 M399 F400 M406	W97-F342 HydrophobicContact CE3-CE2 4.38Å; W97-F342 HydrophobicContact CZ3-CD2 4.36Å; W97-F342 HydrophobicContact CZ3-CE2 4.05Å; I119-F342 HydrophobicContact CD1-CE2 4.08Å; I119-F342 HydrophobicContact CD1-CZ 3.86Å; I119-F342 HydrophobicContact CG2-CE2 4.13Å; I133-F342 HydrophobicContact CD1-CB 3.45Å; I133-F342 VanDerWaalsContact CD1-CB 3.45Å; I133-F342 HydrophobicContact CD1-CD1 4.01Å; I133-F342 HydrophobicContact CD1-CD2 4.3Å; I133-F342 HydrophobicContact CD1-CG 3.66Å; I133-F342 HydrophobicContact CG2-CD1 3.95Å; I133-F342 HydrophobicContact CG2-CD2 4.32Å; I133-F342 HydrophobicContact CG2-CE1 3.85Å; I133-F342 HydrophobicContact CG2-CE2 4.23Å; I133-F342 HydrophobicContact CG2-CG 4.19Å; I133-F342 HydrophobicContact CG2-CZ 4Å; Y199-F342 HydrophobicContact CD1-CE1 4.22Å; Y199-F342 HydrophobicContact CD1-CZ 4.39Å; F342-S363 CarbonylContact C-O 3.58Å; F342-S363 VanDerWaalsContact CA-O 3.28Å; F342-S363 WeakPolarHBondContact CA-O 3.17Å; F342-L364 HydrophobicContact CB-CD1 4.33Å; F342-M399 CarbonylContact O-C 3.55Å; F342-M399 VanDerWaalsContact O-CA 3.28Å; F342-M399 WeakPolarHBondContact O-CA 3.21Å; F342-F400 HydrophobicContact CB-CB 4.37Å; F342-F400 HydrophobicContact CD1-CB 4.46Å; F342-F400 AromaticContact CD1-CD2 3.72Å; F342-F400 HydrophobicContact CD1-CD2 3.72Å; F342-F400 HydrophobicContact CD1-CE2 4.45Å; F342-F400 HydrophobicContact CD1-CG 4.42Å; F342-F400 HydrophobicContact CE1-CD2 4.2Å; F342-F400 PolarHBondContact N-O 3.33Å; F342-F400 PolarHBondContact O-N 3.33Å; F342-M406 HydrophobicContact CB-CE 4.01Å
343	M	98.6	Very high	92.1	Very high	10 Å²	10	42.1 Å²	42.1	5%	0.049	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	140.8	177.4	-76.6	-76.3	-52.9	0	0	111.2	F318 Y350 F357 G362 S363 A397 F398 M399	F318-M343 HydrophobicContact CD2-CE 3.96Å; F318-M343 HydrophobicContact CD2-SD 4.32Å; F318-M343 HydrophobicContact CE2-CE 3.72Å; F318-M343 HydrophobicContact CE2-SD 3.49Å; F318-M343 WeakPolarHBondContact CE2-SD 3.26Å; F318-M343 HydrophobicContact CZ-SD 4.13Å; M343-Y350 HydrophobicContact CE-CD1 4.32Å; M343-Y350 HydrophobicContact CE-CD2 4.32Å; M343-Y350 HydrophobicContact CE-CE1 3.94Å; M343-Y350 HydrophobicContact CE-CE2 3.97Å; M343-Y350 HydrophobicContact CE-CG 4.49Å; M343-F357 HydrophobicContact CB-CE2 4.28Å; M343-F357 HydrophobicContact CB-CZ 3.91Å; M343-F357 HydrophobicContact CE-CE1 4.39Å; M343-F357 HydrophobicContact CE-CZ 4.41Å; M343-G362 CarbonylContact O-C 3.43Å; M343-G362 WeakPolarHBondContact O-CA 3.47Å; M343-S363 WeakPolarHBondContact CB-OG 3.35Å; M343-S363 PolarHBondContact N-O 3.28Å; M343-S363 PolarHBondContact O-N 2.83Å; M343-A397 HydrophobicContact CE-CB 3.98Å; M343-F398 WeakPolarHBondContact CA-O 3.4Å; M343-M399 HydrophobicContact SD-CB 3.7Å; M343-M399 HydrophobicContact SD-CG 4.12Å; M343-M399 HydrophobicContact SD-SD 4.15Å
344	G	98.6	Very high	90.5	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	165.8	170.2	0	0	0	0	0	112.6	A397 F398	G344-A397 WeakPolarHBondContact O-CA 3.48Å; G344-F398 PolarHBondContact N-O 2.91Å; G344-F398 PolarHBondContact O-N 3.16Å
345	L	98.5	Very high	89	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	118.1	-178.4	-173	58.5	0	0	0	110.6	Q159 Y199 K347 F357 P359 G360 T395 A397	Q159-L345 WeakPolarHBondContact CG-O 3.33Å; Y199-L345 PolarHBondContact OH-N 2.86Å; Y199-L345 PolarHBondContact OH-O 2.67Å; L345-K347 WeakPolarHBondContact CD1-O 3.47Å; L345-F357 HydrophobicContact CB-CD1 4.21Å; L345-F357 HydrophobicContact CB-CE1 3.65Å; L345-F357 HydrophobicContact CB-CZ 4.02Å; L345-F357 HydrophobicContact CD2-CD1 3.94Å; L345-F357 HydrophobicContact CD2-CE1 4.17Å; L345-F357 WeakPolarHBondContact CD2-O 3.31Å; L345-F357 HydrophobicContact CG-CE1 4.33Å; L345-P359 HydrophobicContact CD2-CG 4.07Å; L345-P359 HydrophobicContact CG-CG 4.14Å; L345-P359 WeakPolarHBondContact O-CA 3.49Å; L345-G360 PolarHBondContact O-N 3.45Å; L345-T395 HydrophobicContact CD1-CG2 4.1Å; L345-A397 HydrophobicContact CD1-CB 3.83Å
346	I	98.5	Very high	87.9	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-49.7	179.1	-64.7	170.4	0	0	0	110.1	V157 Q159 P176 L279 M396 F398	V157-I346 HydrophobicContact CG1-CD1 3.53Å; V157-I346 HydrophobicContact CG1-CG1 3.83Å; Q159-I346 WeakPolarHBondContact CG-O 3.24Å; Q159-I346 PolarHBondContact NE2-O 2.76Å; P176-I346 HydrophobicContact CB-CG2 4.19Å; L279-I346 HydrophobicContact CD1-CD1 3.64Å; I346-M396 HydrophobicContact CB-CB 4.24Å; I346-M396 HydrophobicContact CB-CG 4.49Å; I346-M396 WeakPolarHBondContact CB-O 3.05Å; I346-M396 HydrophobicContact CD1-CB 4.5Å; I346-M396 HydrophobicContact CD1-CG 3.84Å; I346-M396 PolarHBondContact N-O 2.89Å; I346-F398 HydrophobicContact CD1-CD1 4.17Å; I346-F398 HydrophobicContact CG1-CD1 3.91Å; I346-F398 HydrophobicContact CG1-CE1 4.04Å
347	K	96.6	Very high	87.5	Confident	87 Å²	87	37.1 Å²	37.1	38%	0.378	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	161	-177.3	62.1	179.9	-178.5	-175	0	111.2	N177 L345 T395 M396	N177-K347 VanDerWaalsContact OD1-CE 3.28Å; N177-K347 WeakPolarHBondContact OD1-CE 3.23Å; N177-K347 PolarHBondContact OD1-NZ 3Å; L345-K347 WeakPolarHBondContact CD1-O 3.47Å; K347-T395 WeakPolarHBondContact O-CA 3.11Å; K347-M396 HydrophobicContact CG-CB 4.17Å; K347-M396 PolarHBondContact O-N 3.18Å
348	G	93.7	Very high	87.4	Confident	23 Å²	23	39.6 Å²	39.6	24%	0.237	21%	0.205	C	C	.	.	S	Bend	trans	77.3	-146	176.8	0	0	0	0	0	113.6	T395	G348-T395 WeakPolarHBondContact CA-OG1 3.44Å
349	H	86.3	Confident	87.5	Confident	128 Å²	128	38 Å²	38	59%	0.593	19%	0.193	S	C	*	.			trans	-136.7	134.5	-174.9	-61.2	-82.1	0	0	0	110.7	T395	H349-T395 PolarHBondContact N-OG1 3.36Å; H349-T395 WeakPolarHBondContact O-CG2 3.32Å; H349-T395 PolarHBondContact O-OG1 3.08Å
350	Y	78.7	Confident	87.4	Confident	30 Å²	30	36.8 Å²	36.8	12%	0.118	19%	0.187	C	C	.	.			trans	-84.5	130.7	-178.4	-175	-124	0	0	0	111.9	F318 M343 A352 K353 F357 A397	F318-Y350 HydrophobicContact CB-CE2 4.24Å; F318-Y350 HydrophobicContact CD1-CE2 4.33Å; F318-Y350 HydrophobicContact CD2-CE2 4.17Å; F318-Y350 AromaticContact CG-CE2 3.98Å; F318-Y350 HydrophobicContact CG-CE2 3.98Å; M343-Y350 HydrophobicContact CE-CD1 4.32Å; M343-Y350 HydrophobicContact CE-CD2 4.32Å; M343-Y350 HydrophobicContact CE-CE1 3.94Å; M343-Y350 HydrophobicContact CE-CE2 3.97Å; M343-Y350 HydrophobicContact CE-CG 4.49Å; Y350-A352 VanDerWaalsContact C-N 3.28Å; Y350-A352 HydrophobicContact CD1-CB 4.07Å; Y350-A352 HydrophobicContact CE1-CB 3.6Å; Y350-A352 PolarHBondContact O-N 2.92Å; Y350-K353 HydrophobicContact CD1-CB 4.46Å; Y350-K353 HydrophobicContact CD1-CG 4.25Å; Y350-K353 CarbonylContact O-C 3.57Å; Y350-K353 PolarHBondContact O-N 3.16Å; Y350-K353 VanDerWaalsContact O-N 3.08Å; Y350-F357 HydrophobicContact CD1-CD1 4.39Å; Y350-F357 HydrophobicContact CD1-CE1 4.46Å; Y350-F357 HydrophobicContact CG-CD1 4.34Å; Y350-F357 HydrophobicContact CG-CE1 4.33Å; Y350-A397 HydrophobicContact CD2-CB 3.59Å; Y350-A397 HydrophobicContact CE2-CB 4.12Å; Y350-A397 HydrophobicContact CG-CB 4.28Å
351	E	72.9	Confident	87.4	Confident	60 Å²	60	36.8 Å²	36.8	28%	0.28	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-28	-169.6	69.6	-167.4	147.9	0	0	115.3	R321 K353 V391	R321-E351 IonicContact CZ-OE1 2.78Å; R321-E351 IonicContact NH1-OE1 2.67Å; R321-E351 IonicContact NH2-OE1 2.77Å; R321-E351 PolarHBondContact NH2-OE1 2.7Å; R321-E351 IonicContact NH2-OE2 2.7Å; R321-E351 PolarHBondContact NH2-OE2 2.86Å; E351-K353 VanDerWaalsContact C-N 3.31Å; E351-V391 WeakPolarHBondContact OE2-CG1 2.96Å
352	A	65.2	Low	87.4	Confident	5 Å²	5	36 Å²	36	4%	0.041	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-0	-178.9	0	0	0	0	0	113.4	P332 Y350	P332-A352 HydrophobicContact CG-CB 4.24Å; Y350-A352 VanDerWaalsContact C-N 3.28Å; Y350-A352 HydrophobicContact CD1-CB 4.07Å; Y350-A352 HydrophobicContact CE1-CB 3.6Å; Y350-A352 PolarHBondContact O-N 2.92Å
353	K	67.6	Low	87.4	Confident	13 Å²	13	36.2 Å²	36.2	6%	0.057	19%	0.185	C	C	.	.			trans	-143.8	93	-177.2	-63.9	-64.3	170.6	-161.4	0	110.2	Y350 E351 E355 F357 Y423 C426	Y350-K353 HydrophobicContact CD1-CB 4.46Å; Y350-K353 HydrophobicContact CD1-CG 4.25Å; Y350-K353 CarbonylContact O-C 3.57Å; Y350-K353 PolarHBondContact O-N 3.16Å; Y350-K353 VanDerWaalsContact O-N 3.08Å; E351-K353 VanDerWaalsContact C-N 3.31Å; K353-E355 VanDerWaalsContact C-N 3.27Å; K353-E355 PolarHBondContact O-N 3.15Å; K353-F357 HydrophobicContact CB-CB 4.06Å; K353-F357 HydrophobicContact CG-CB 4.46Å; K353-Y423 HydrophobicContact CD-CE2 4.45Å; K353-C426 PolarHBondContact NZ-SG 3.02Å
354	E	63.3	Low	87.4	Confident	95 Å²	95	36.1 Å²	36.1	44%	0.444	18%	0.184	S	C	.	.	S	Bend	trans	-64.2	-33.1	-179.1	-67.4	-157.2	157.9	0	0	111.9	K380	E354-K380 IonicContact OE1-NZ 2.69Å; E354-K380 PolarHBondContact OE1-NZ 3Å
355	E	67.7	Low	87.3	Confident	166 Å²	166	36.8 Å²	36.8	78%	0.776	19%	0.187	S	C	*	.	S	Bend	trans	-131.6	153.4	179.3	-61.3	-168.1	167.4	0	0	114.5	R96 K353 F357	R96-E355 PolarHBondContact NH1-O 2.9Å; K353-E355 VanDerWaalsContact C-N 3.27Å; K353-E355 PolarHBondContact O-N 3.15Å; E355-F357 PolarHBondContact O-N 2.96Å
356	G	74.6	Confident	87.3	Confident	22 Å²	22	37.9 Å²	37.9	23%	0.227	20%	0.195	C	C	.	.	S	Bend	trans	84.6	-12.7	169.3	0	0	0	0	0	116.9
357	F	89.1	Confident	87.2	Confident	6 Å²	6	41 Å²	41	3%	0.026	21%	0.21	C	C	.	.			trans	-106.1	96.8	172.5	-171.8	-111.7	0	0	0	110.6	M343 L345 Y350 K353 E355	M343-F357 HydrophobicContact CB-CE2 4.28Å; M343-F357 HydrophobicContact CB-CZ 3.91Å; M343-F357 HydrophobicContact CE-CE1 4.39Å; M343-F357 HydrophobicContact CE-CZ 4.41Å; L345-F357 HydrophobicContact CB-CD1 4.21Å; L345-F357 HydrophobicContact CB-CE1 3.65Å; L345-F357 HydrophobicContact CB-CZ 4.02Å; L345-F357 HydrophobicContact CD2-CD1 3.94Å; L345-F357 HydrophobicContact CD2-CE1 4.17Å; L345-F357 WeakPolarHBondContact CD2-O 3.31Å; L345-F357 HydrophobicContact CG-CE1 4.33Å; Y350-F357 HydrophobicContact CD1-CD1 4.39Å; Y350-F357 HydrophobicContact CD1-CE1 4.46Å; Y350-F357 HydrophobicContact CG-CD1 4.34Å; Y350-F357 HydrophobicContact CG-CE1 4.33Å; K353-F357 HydrophobicContact CB-CB 4.06Å; K353-F357 HydrophobicContact CG-CB 4.46Å; E355-F357 PolarHBondContact O-N 2.96Å
358	L	95.1	Very high	87.3	Confident	74 Å²	74	41.6 Å²	41.6	39%	0.387	22%	0.216	S	C	.	.			trans	-111.7	156.3	-170.8	-63.3	175.9	0	0	0	112.4	P99 G360 G361	P99-L358 HydrophobicContact CG-CB 3.63Å; P99-L358 HydrophobicContact CG-CD1 4.43Å; L358-G360 PolarHBondContact O-N 2.81Å; L358-G361 PolarHBondContact O-N 3.13Å
359	P	97.8	Very high	87.6	Confident	36 Å²	36	41.4 Å²	41.4	23%	0.234	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	126.6	177.1	-28.7	35.8	0	0	0	112.9	P99 L345	P99-P359 WeakPolarHBondContact CB-O 3.22Å; P99-P359 WeakPolarHBondContact CG-O 3.39Å; L345-P359 HydrophobicContact CD2-CG 4.07Å; L345-P359 HydrophobicContact CG-CG 4.14Å; L345-P359 WeakPolarHBondContact O-CA 3.49Å
360	G	97.8	Very high	88.1	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	-4.2	-174.6	0	0	0	0	0	115.2	P99 F100 Y199 L345 L358	P99-G360 WeakPolarHBondContact CA-O 3.4Å; F100-G360 VanDerWaalsContact CD2-O 3.25Å; F100-G360 WeakPolarHBondContact CD2-O 3.48Å; F100-G360 PolarHBondContact N-O 3.37Å; F100-G360 VanDerWaalsContact N-O 3.13Å; Y199-G360 WeakPolarHBondContact OH-CA 3.43Å; Y199-G360 PolarHBondContact OH-N 3.38Å; L345-G360 PolarHBondContact O-N 3.45Å; L358-G360 PolarHBondContact O-N 2.81Å
361	G	97.8	Very high	89	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.206	C	C	.	.			trans	-87.1	-166.1	171	0	0	0	0	0	112.5	W97 Y199 L358	W97-G361 CarbonylContact O-C 3.45Å; W97-G361 WeakPolarHBondContact O-CA 3.29Å; Y199-G361 VanDerWaalsContact CE1-O 3.23Å; Y199-G361 WeakPolarHBondContact CE1-O 3.45Å; Y199-G361 PolarHBondContact OH-N 2.85Å; Y199-G361 PolarHBondContact OH-O 3.4Å; L358-G361 PolarHBondContact O-N 3.13Å
362	G	98	Very high	90.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166	168.9	175.7	0	0	0	0	0	112.8	R96 W97 M343	R96-G362 CarbonylContact C-O 3.48Å; R96-G362 WeakPolarHBondContact CA-O 3.45Å; W97-G362 PolarHBondContact N-O 2.68Å; W97-G362 PolarHBondContact O-N 3.48Å; M343-G362 CarbonylContact O-C 3.43Å; M343-G362 WeakPolarHBondContact O-CA 3.47Å
363	S	98.4	Very high	91.5	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.028	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	153.5	165.3	60.2	0	0	0	0	111.1	L95 F342 M343	L95-S363 CarbonylContact O-C 3.42Å; L95-S363 WeakPolarHBondContact O-CA 3.43Å; L95-S363 WeakPolarHBondContact O-CB 3.33Å; F342-S363 CarbonylContact C-O 3.58Å; F342-S363 VanDerWaalsContact CA-O 3.28Å; F342-S363 WeakPolarHBondContact CA-O 3.17Å; M343-S363 WeakPolarHBondContact CB-OG 3.35Å; M343-S363 PolarHBondContact N-O 3.28Å; M343-S363 PolarHBondContact O-N 2.83Å
364	L	98.6	Very high	92.7	Very high	7 Å²	7	36 Å²	36	4%	0.037	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	120	175.1	179.1	63.7	0	0	0	108.9	L95 W97 C120 E341 F342 M406	L95-L364 HydrophobicContact CB-CB 4.34Å; L95-L364 HydrophobicContact CD1-CD2 4.49Å; L95-L364 PolarHBondContact N-O 3.02Å; L95-L364 PolarHBondContact O-N 2.98Å; W97-L364 HydrophobicContact CH2-CB 3.77Å; W97-L364 HydrophobicContact CH2-CD2 4.43Å; W97-L364 HydrophobicContact CZ3-CB 3.73Å; C120-L364 HydrophobicContact CB-CD2 4.32Å; E341-L364 WeakPolarHBondContact O-CA 3.28Å; F342-L364 HydrophobicContact CB-CD1 4.33Å; L364-M406 HydrophobicContact CD1-CB 4.26Å; L364-M406 HydrophobicContact CD1-CE 3.65Å; L364-M406 HydrophobicContact CD1-SD 4.44Å
365	H	98.3	Very high	94.1	Very high	14 Å²	14	31.8 Å²	31.8	7%	0.065	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	114	167.8	-60.2	131.2	0	0	0	108.3	Q94 S340 E341 H371 Y423	Q94-H365 PolarHBondContact OE1-CD2 3.21Å; Q94-H365 PolarHBondContact OE1-NE2 3.31Å; S340-H365 WeakPolarHBondContact CA-O 3.44Å; E341-H365 HydrophobicContact CB-CB 4.32Å; E341-H365 PolarHBondContact N-O 3.01Å; E341-H365 PolarHBondContact O-N 3.44Å; H365-H371 AromaticContact ND1-CG 3.97Å; H365-Y423 PolarHBondContact CE1-OH 3.27Å; H365-Y423 AromaticContact NE2-CE1 3.81Å; H365-Y423 AromaticContact NE2-CZ 3.83Å; H365-Y423 PolarHBondContact NE2-OH 3.43Å; H365-Y423 VanDerWaalsContact NE2-OH 3.09Å
366	S	97.2	Very high	95.3	Very high	23 Å²	23	29.1 Å²	29.1	16%	0.161	17%	0.168	C	C	.	.			trans	-74.1	161.7	-178.3	57.6	0	0	0	0	111.4	P92 M368 T369	P92-S366 PolarHBondContact O-OG 2.6Å; S366-M368 PolarHBondContact O-N 3.15Å; S366-T369 VanDerWaalsContact O-CB 3.29Å; S366-T369 WeakPolarHBondContact O-CB 3.49Å; S366-T369 PolarHBondContact O-N 3.38Å; S366-T369 WeakPolarHBondContact OG-CB 3.44Å; S366-T369 PolarHBondContact OG-OG1 3.32Å
367	M	97.8	Very high	96.2	Very high	67 Å²	67	28.1 Å²	28.1	33%	0.33	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	130.8	-178.4	-75.5	177.7	66.1	0	0	111.6	C338 T369 S405	C338-M367 WeakPolarHBondContact O-CE 3.48Å; C338-M367 WeakPolarHBondContact O-CG 3.48Å; M367-T369 PolarHBondContact O-N 2.83Å; M367-T369 VanDerWaalsContact O-N 3.12Å; M367-S405 PolarHBondContact SD-N 2.77Å; M367-S405 PolarHBondContact SD-OG 3.22Å
368	M	98.3	Very high	96.5	Very high	100 Å²	100	30.1 Å²	30.1	49%	0.493	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	1.1	-179.8	-61.2	-66.4	176	0	0	116.3	N337 C338 S366 P370	N337-M368 WeakPolarHBondContact O-CA 3.48Å; N337-M368 PolarHBondContact O-N 3.46Å; C338-M368 HydrophobicContact CB-CE 3.85Å; S366-M368 PolarHBondContact O-N 3.15Å; M368-P370 WeakPolarHBondContact O-CD 3.35Å
369	T	98.4	Very high	96.5	Very high	19 Å²	19	29.4 Å²	29.4	12%	0.117	16%	0.161	C	C	.	.			trans	-70.6	123.4	177.3	-66.8	0	0	0	0	110.2	P92 Q94 S366 M367 H371	P92-T369 PolarHBondContact O-OG1 2.76Å; Q94-T369 HydrophobicContact CG-CG2 3.48Å; Q94-T369 VanDerWaalsContact CG-CG2 3.48Å; S366-T369 VanDerWaalsContact O-CB 3.29Å; S366-T369 WeakPolarHBondContact O-CB 3.49Å; S366-T369 PolarHBondContact O-N 3.38Å; S366-T369 WeakPolarHBondContact OG-CB 3.44Å; S366-T369 PolarHBondContact OG-OG1 3.32Å; M367-T369 PolarHBondContact O-N 2.83Å; M367-T369 VanDerWaalsContact O-N 3.12Å; T369-H371 PolarHBondContact O-N 3.13Å; T369-H371 PolarHBondContact O-ND1 3.24Å; T369-H371 VanDerWaalsContact O-ND1 3.13Å
370	P	98.3	Very high	96.4	Very high	80 Å²	80	33.4 Å²	33.4	52%	0.519	18%	0.175	S	C	.	.			trans	-61.4	133.8	179.2	-19.2	30.4	0	0	0	110.9	Q94 H335 R336 M368	Q94-P370 PolarHBondContact NE2-O 3.02Å; H335-P370 WeakPolarHBondContact O-CA 3.49Å; R336-P370 HydrophobicContact CG-CB 3.93Å; R336-P370 HydrophobicContact CG-CG 3.95Å; M368-P370 WeakPolarHBondContact O-CD 3.35Å
371	H	97.5	Very high	96.3	Very high	22 Å²	22	35.3 Å²	35.3	10%	0.102	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-145.8	175.2	174	60.2	-89.1	0	0	0	110	H335 E341 H365 T369	H335-H371 AromaticContact CG-CE1 3.88Å; H335-H371 AromaticContact CG-NE2 3.61Å; H335-H371 PolarHBondContact N-O 3.25Å; H335-H371 AromaticContact ND1-CE1 3.38Å; H335-H371 PolarHBondContact ND1-CE1 3.19Å; H335-H371 AromaticContact ND1-NE2 3.07Å; H335-H371 PolarHBondContact ND1-NE2 2.65Å; H335-H371 PolarHBondContact O-N 2.97Å; E341-H371 IonicContact OE1-CE1 3.83Å; E341-H371 PolarHBondContact OE1-CE1 3.01Å; E341-H371 IonicContact OE1-NE2 3.15Å; E341-H371 IonicContact OE2-CE1 3.82Å; E341-H371 IonicContact OE2-NE2 3.54Å; E341-H371 PolarHBondContact OE2-NE2 3.38Å; H365-H371 AromaticContact ND1-CG 3.97Å; T369-H371 PolarHBondContact O-N 3.13Å; T369-H371 PolarHBondContact O-ND1 3.24Å; T369-H371 VanDerWaalsContact O-ND1 3.13Å
372	G	96.3	Very high	96.2	Very high	10 Å²	10	38.1 Å²	38.1	10%	0.103	21%	0.205	C	C	.	.			trans	156.8	-171.7	-179	0	0	0	0	0	111.8	W427	G372-W427 PolarHBondContact O-NE1 2.76Å
373	P	94.2	Very high	96.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.238	C	C	.	.			trans	-55.2	146.4	175.6	-23.6	33.8	0	0	0	112.2	F329 P331 P332 Y334 C377 W427	F329-P373 HydrophobicContact CE1-CG 3.92Å; F329-P373 HydrophobicContact CZ-CB 4.45Å; F329-P373 HydrophobicContact CZ-CG 4.12Å; P331-P373 HydrophobicContact CB-CG 4.03Å; P332-P373 WeakPolarHBondContact O-CD 3.34Å; P332-P373 WeakPolarHBondContact O-CG 3.48Å; Y334-P373 WeakPolarHBondContact CE1-O 3.26Å; P373-C377 HydrophobicContact CB-CB 3.93Å; P373-W427 VanDerWaalsContact O-CD1 3.25Å; P373-W427 PolarHBondContact O-NE1 3.48Å; P373-W427 VanDerWaalsContact O-NE1 3.16Å
374	D	92.6	Very high	95.9	Very high	10 Å²	10	45.6 Å²	45.6	5%	0.053	26%	0.255	C	S	.	.			trans	-71.3	174.1	168.8	57.4	39.3	0	0	0	111.9	D376 C377 F378 C426	D374-D376 PolarHBondContact O-N 2.84Å; D374-C377 PolarHBondContact O-N 3.14Å; D374-C377 WeakPolarHBondContact OD1-CB 3.46Å; D374-C377 PolarHBondContact OD1-N 2.93Å; D374-F378 PolarHBondContact O-N 3.08Å; D374-C426 HydrophobicContact CB-CB 3.98Å; D374-C426 WeakPolarHBondContact CB-O 3.3Å
375	A	93.1	Very high	95.8	Very high	7 Å²	7	52.3 Å²	52.3	6%	0.058	29%	0.286	C	S	.	.	H	α-helix	trans	-61.9	-41.8	-175	0	0	0	0	0	113.2	F378 E379 C426 P429 L430	A375-F378 PolarHBondContact O-N 2.91Å; A375-E379 WeakPolarHBondContact O-CG 3.46Å; A375-E379 PolarHBondContact O-N 3.41Å; A375-C426 PolarHBondContact N-O 3.2Å; A375-P429 HydrophobicContact CB-CB 3.76Å; A375-P429 HydrophobicContact CB-CG 4.29Å; A375-L430 HydrophobicContact CB-CD2 4.02Å; A375-L430 HydrophobicContact CB-CG 4.11Å
376	D	92	Very high	95.7	Very high	110 Å²	110	54.2 Å²	54.2	59%	0.588	30%	0.297	S	S	*	.	H	α-helix	trans	-67.2	-43	-179.2	-65.5	-33	0	0	0	111	D374 F378 E379 K380	D374-D376 PolarHBondContact O-N 2.84Å; D376-F378 VanDerWaalsContact C-N 3.3Å; D376-F378 PolarHBondContact O-N 3.13Å; D376-E379 PolarHBondContact O-N 2.69Å; D376-K380 WeakPolarHBondContact O-CB 3.35Å; D376-K380 PolarHBondContact O-N 3.45Å
377	C	93.6	Very high	95.8	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.014	31%	0.314	C	S	.	.	H	α-helix	trans	-58.7	-42.4	173.7	-172.6	0	0	0	0	111.5	P373 D374 N381	P373-C377 HydrophobicContact CB-CB 3.93Å; D374-C377 PolarHBondContact O-N 3.14Å; D374-C377 WeakPolarHBondContact OD1-CB 3.46Å; D374-C377 PolarHBondContact OD1-N 2.93Å; C377-N381 WeakPolarHBondContact O-CB 2.97Å; C377-N381 PolarHBondContact O-N 2.84Å; C377-N381 PolarHBondContact O-ND2 2.91Å
378	F	96.3	Very high	95.8	Very high	47 Å²	47	60.1 Å²	60.1	21%	0.206	33%	0.328	C	S	.	.	H	α-helix	trans	-63.4	-54.1	177.3	176.1	-92.6	0	0	0	112.8	F329 Y334 D374 A375 D376 K380 N381 S382 L430 H433	F329-F378 AromaticContact CE2-CD2 3.97Å; F329-F378 HydrophobicContact CE2-CD2 3.97Å; F329-F378 HydrophobicContact CZ-CD2 4.15Å; Y334-F378 HydrophobicContact CE2-CD2 4.09Å; D374-F378 PolarHBondContact O-N 3.08Å; A375-F378 PolarHBondContact O-N 2.91Å; D376-F378 VanDerWaalsContact C-N 3.3Å; D376-F378 PolarHBondContact O-N 3.13Å; F378-K380 VanDerWaalsContact C-N 3.29Å; F378-K380 PolarHBondContact O-N 3.21Å; F378-N381 PolarHBondContact O-N 3.04Å; F378-S382 WeakPolarHBondContact O-CB 3.49Å; F378-S382 PolarHBondContact O-N 3.41Å; F378-S382 PolarHBondContact O-OG 2.76Å; F378-L430 HydrophobicContact CB-CD2 4.16Å; F378-L430 HydrophobicContact CD1-CD2 4.49Å; F378-L430 HydrophobicContact CG-CD2 4.35Å; F378-H433 AromaticContact CE1-CD2 3.63Å; F378-H433 AromaticContact CE1-NE2 3.63Å
379	E	95.1	Very high	95.7	Very high	60 Å²	60	59.4 Å²	59.4	28%	0.28	32%	0.323	S	S	.	.	H	α-helix	trans	-63.3	-37.8	-176.1	-64.6	-76.9	157.6	0	0	111.1	A375 D376 S382 T383 R431 H433	A375-E379 WeakPolarHBondContact O-CG 3.46Å; A375-E379 PolarHBondContact O-N 3.41Å; D376-E379 PolarHBondContact O-N 2.69Å; E379-S382 PolarHBondContact O-OG 3.09Å; E379-T383 PolarHBondContact O-OG1 3.23Å; E379-T383 VanDerWaalsContact O-OG1 3.04Å; E379-R431 IonicContact OE1-NE 3.4Å; E379-R431 PolarHBondContact OE1-NE 3.48Å; E379-R431 IonicContact OE1-NH2 3.74Å; E379-R431 IonicContact OE2-NH2 2.77Å; E379-R431 PolarHBondContact OE2-NH2 3Å; E379-H433 IonicContact OE1-CE1 2.9Å; E379-H433 PolarHBondContact OE1-CE1 3.01Å; E379-H433 IonicContact OE1-NE2 2.65Å; E379-H433 PolarHBondContact OE1-NE2 3.27Å; E379-H433 IonicContact OE2-CE1 3.41Å; E379-H433 IonicContact OE2-NE2 3.2Å
380	K	94.8	Very high	95.7	Very high	119 Å²	119	63.9 Å²	63.9	52%	0.517	34%	0.338	S	S	.	.	H	α-helix	trans	-64.4	-51.3	176	-178.1	-175.5	-175.9	-179.4	0	112.4	E354 D376 F378 A384	E354-K380 IonicContact OE1-NZ 2.69Å; E354-K380 PolarHBondContact OE1-NZ 3Å; D376-K380 WeakPolarHBondContact O-CB 3.35Å; D376-K380 PolarHBondContact O-N 3.45Å; F378-K380 VanDerWaalsContact C-N 3.29Å; F378-K380 PolarHBondContact O-N 3.21Å; K380-A384 WeakPolarHBondContact O-CB 3.39Å; K380-A384 PolarHBondContact O-N 3.46Å
381	N	95.4	Very high	95.5	Very high	40 Å²	40	60.9 Å²	60.9	21%	0.214	32%	0.318	C	S	.	.	H	α-helix	trans	-85	-16.5	-171.4	-71.6	-83.6	0	0	0	114	F329 P331 C377 F378 T383	F329-N381 HydrophobicContact CD2-CB 4.14Å; F329-N381 HydrophobicContact CE2-CB 3.73Å; F329-N381 HydrophobicContact CZ-CB 4.39Å; P331-N381 HydrophobicContact CG-CB 3.58Å; P331-N381 WeakPolarHBondContact CG-ND2 3.45Å; C377-N381 WeakPolarHBondContact O-CB 2.97Å; C377-N381 PolarHBondContact O-N 2.84Å; C377-N381 PolarHBondContact O-ND2 2.91Å; F378-N381 PolarHBondContact O-N 3.04Å; N381-T383 VanDerWaalsContact C-N 3.29Å
382	S	96.5	Very high	95.3	Very high	59 Å²	59	60.8 Å²	60.8	41%	0.413	32%	0.321	S	S	.	.	H	α-helix	trans	-76.6	-15.3	174.3	56.4	0	0	0	0	113.7	F378 E379	F378-S382 WeakPolarHBondContact O-CB 3.49Å; F378-S382 PolarHBondContact O-N 3.41Å; F378-S382 PolarHBondContact O-OG 2.76Å; E379-S382 PolarHBondContact O-OG 3.09Å
383	T	94.9	Very high	95.3	Very high	115 Å²	115	65.3 Å²	65.3	71%	0.706	34%	0.339	S	S	*	.	H	α-helix	trans	-123.7	-5.7	-177.4	59.8	0	0	0	0	114.1	E379 N381	E379-T383 PolarHBondContact O-OG1 3.23Å; E379-T383 VanDerWaalsContact O-OG1 3.04Å; N381-T383 VanDerWaalsContact C-N 3.29Å
384	A	93.9	Very high	95.3	Very high	47 Å²	47	67.6 Å²	67.6	39%	0.388	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-60.2	142.8	-179.9	0	0	0	0	0	112.3	K380 L386	K380-A384 WeakPolarHBondContact O-CB 3.39Å; K380-A384 PolarHBondContact O-N 3.46Å; A384-L386 PolarHBondContact O-N 3.42Å
385	E	96.7	Very high	95.5	Very high	147 Å²	147	67.6 Å²	67.6	69%	0.687	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-70.4	119	167	-171.8	-171.2	-176.3	0	0	109.1	K387	E385-K387 PolarHBondContact O-N 2.92Å; E385-K387 WeakPolarHBondContact OE1-CE 3.34Å; E385-K387 IonicContact OE1-NZ 2.83Å; E385-K387 PolarHBondContact OE1-NZ 3.41Å; E385-K387 WeakPolarHBondContact OE2-CE 3.13Å; E385-K387 IonicContact OE2-NZ 2.75Å; E385-K387 PolarHBondContact OE2-NZ 2.88Å
386	L	97.6	Very high	95.7	Very high	55 Å²	55	67.4 Å²	67.4	29%	0.288	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-79.7	116.6	-177.2	-62	177.4	0	0	0	110.8	N327 R330 A384	N327-L386 VanDerWaalsContact N-CD1 3.28Å; R330-L386 HydrophobicContact CG-CD2 4.39Å; A384-L386 PolarHBondContact O-N 3.42Å
387	K	97.6	Very high	96	Very high	117 Å²	117	62.1 Å²	62.1	51%	0.509	33%	0.334	S	S	.	.			trans	-135.9	158.2	172.8	-70.9	175.1	174.1	150.3	0	109.5	R330 E385 E389	R330-K387 PolarHBondContact NH1-O 3.38Å; R330-K387 PolarHBondContact NH2-O 2.77Å; E385-K387 PolarHBondContact O-N 2.92Å; E385-K387 WeakPolarHBondContact OE1-CE 3.34Å; E385-K387 IonicContact OE1-NZ 2.83Å; E385-K387 PolarHBondContact OE1-NZ 3.41Å; E385-K387 WeakPolarHBondContact OE2-CE 3.13Å; E385-K387 IonicContact OE2-NZ 2.75Å; E385-K387 PolarHBondContact OE2-NZ 2.88Å; K387-E389 PolarHBondContact O-N 2.72Å
388	P	98.3	Very high	96.3	Very high	96 Å²	96	62 Å²	62	62%	0.623	33%	0.333	S	S	*	.			trans	-54.6	127.4	170.5	-27.4	36.3	0	0	0	111.3	W322 G323 V324	W322-P388 HydrophobicContact CE3-CB 4.34Å; W322-P388 HydrophobicContact CZ3-CB 4.12Å; G323-P388 WeakPolarHBondContact O-CA 3.42Å; V324-P388 HydrophobicContact CG1-CB 4.12Å
389	E	97.4	Very high	96.4	Very high	86 Å²	86	60 Å²	60	40%	0.402	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	154.5	-177.1	73.8	-169.3	135.3	0	0	112.3	W322 G323 R330 K387 V391	W322-E389 WeakPolarHBondContact CA-O 3.35Å; W322-E389 VanDerWaalsContact CE3-O 3.26Å; G323-E389 PolarHBondContact N-O 3.27Å; G323-E389 PolarHBondContact O-N 2.96Å; R330-E389 WeakPolarHBondContact CD-OE1 3.48Å; R330-E389 IonicContact CZ-OE1 3.32Å; R330-E389 IonicContact NH1-OE1 3.97Å; R330-E389 PolarHBondContact NH1-OE1 2.94Å; K387-E389 PolarHBondContact O-N 2.72Å; E389-V391 HydrophobicContact CG-CG2 3.84Å
390	R	97	Very high	96.6	Very high	112 Å²	112	57.1 Å²	57.1	42%	0.423	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	116.4	171.1	-66	-65.9	-64.2	179.8	-0.5	108.9	W322 E393	W322-R390 VanDerWaalsContact CE2-CD 3.42Å; W322-R390 HydrophobicContact CE3-CG 4.41Å; W322-R390 HydrophobicContact CH2-CG 4.11Å; W322-R390 HydrophobicContact CZ2-CG 4.27Å; W322-R390 HydrophobicContact CZ3-CG 4.18Å; R390-E393 HydrophobicContact CB-CG 3.66Å; R390-E393 IonicContact CZ-OE1 2.78Å; R390-E393 IonicContact NE-OE1 2.94Å; R390-E393 PolarHBondContact NE-OE1 3.38Å; R390-E393 IonicContact NH2-OE1 3.22Å; R390-E393 PolarHBondContact NH2-OE1 3.27Å
391	V	94.6	Very high	96.8	Very high	17 Å²	17	52.4 Å²	52.4	10%	0.103	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	144.5	-178.9	179	0	0	0	0	109.5	P320 R321 E351 E389 E393	P320-V391 VanDerWaalsContact CA-O 3.31Å; P320-V391 WeakPolarHBondContact CA-O 3.28Å; R321-V391 HydrophobicContact CG-CB 4.08Å; R321-V391 PolarHBondContact N-O 2.83Å; R321-V391 PolarHBondContact O-N 3.39Å; E351-V391 WeakPolarHBondContact OE2-CG1 2.96Å; E389-V391 HydrophobicContact CG-CG2 3.84Å; V391-E393 PolarHBondContact O-N 2.93Å; V391-E393 VanDerWaalsContact O-N 3.16Å
392	A	93.7	Very high	96.9	Very high	20 Å²	20	50.5 Å²	50.5	17%	0.165	28%	0.28	C	S	.	.	S	Bend	trans	56.7	27.1	176.1	0	0	0	0	0	114.6	P320 G394 T395	P320-A392 WeakPolarHBondContact CG-O 3.49Å; A392-G394 PolarHBondContact O-N 2.76Å; A392-T395 HydrophobicContact CB-CG2 4.42Å; A392-T395 WeakPolarHBondContact O-CB 3.37Å; A392-T395 PolarHBondContact O-N 2.78Å
393	E	95.1	Very high	97	Very high	105 Å²	105	49 Å²	49	49%	0.491	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	133.3	171.4	-77.9	-64.2	161.9	0	0	111.1	R390 V391 T395	R390-E393 HydrophobicContact CB-CG 3.66Å; R390-E393 IonicContact CZ-OE1 2.78Å; R390-E393 IonicContact NE-OE1 2.94Å; R390-E393 PolarHBondContact NE-OE1 3.38Å; R390-E393 IonicContact NH2-OE1 3.22Å; R390-E393 PolarHBondContact NH2-OE1 3.27Å; V391-E393 PolarHBondContact O-N 2.93Å; V391-E393 VanDerWaalsContact O-N 3.16Å; E393-T395 PolarHBondContact O-N 3.13Å; E393-T395 VanDerWaalsContact O-N 3.13Å
394	G	94.9	Very high	97.2	Very high	49 Å²	49	45.8 Å²	45.8	51%	0.505	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	2.2	-173.8	0	0	0	0	0	115.4	A392	A392-G394 PolarHBondContact O-N 2.76Å
395	T	96.3	Very high	97.4	Very high	10 Å²	10	47.4 Å²	47.4	6%	0.061	26%	0.255	C	S	.	.			trans	-110.2	148.8	-176.5	-63.1	0	0	0	0	111.6	L345 K347 G348 H349 A392 E393	L345-T395 HydrophobicContact CD1-CG2 4.1Å; K347-T395 WeakPolarHBondContact O-CA 3.11Å; G348-T395 WeakPolarHBondContact CA-OG1 3.44Å; H349-T395 PolarHBondContact N-OG1 3.36Å; H349-T395 WeakPolarHBondContact O-CG2 3.32Å; H349-T395 PolarHBondContact O-OG1 3.08Å; A392-T395 HydrophobicContact CB-CG2 4.42Å; A392-T395 WeakPolarHBondContact O-CB 3.37Å; A392-T395 PolarHBondContact O-N 2.78Å; E393-T395 PolarHBondContact O-N 3.13Å; E393-T395 VanDerWaalsContact O-N 3.13Å
396	M	98.5	Very high	97.4	Very high	2 Å²	2	41 Å²	41	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	96	165.7	-173.1	64.2	67.6	0	0	109.4	N177 L279 I317 P319 I346 K347	N177-M396 WeakPolarHBondContact OD1-CB 3.48Å; N177-M396 WeakPolarHBondContact OD1-CE 3.34Å; N177-M396 WeakPolarHBondContact OD1-CG 3.24Å; L279-M396 HydrophobicContact CB-CE 3.96Å; L279-M396 HydrophobicContact CB-SD 4.35Å; L279-M396 HydrophobicContact CD1-CG 3.92Å; L279-M396 HydrophobicContact CD1-SD 4.25Å; I317-M396 HydrophobicContact CB-SD 4.13Å; I317-M396 HydrophobicContact CD1-SD 4.25Å; P319-M396 HydrophobicContact CB-CE 3.87Å; P319-M396 HydrophobicContact CB-SD 4.12Å; I346-M396 HydrophobicContact CB-CB 4.24Å; I346-M396 HydrophobicContact CB-CG 4.49Å; I346-M396 WeakPolarHBondContact CB-O 3.05Å; I346-M396 HydrophobicContact CD1-CB 4.5Å; I346-M396 HydrophobicContact CD1-CG 3.84Å; I346-M396 PolarHBondContact N-O 2.89Å; K347-M396 HydrophobicContact CG-CB 4.17Å; K347-M396 PolarHBondContact O-N 3.18Å
397	A	98.4	Very high	97.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	162.8	167.1	0	0	0	0	0	109.8	F318 M343 G344 L345 Y350	F318-A397 HydrophobicContact CB-CB 4.18Å; F318-A397 HydrophobicContact CD2-CB 4.03Å; F318-A397 PolarHBondContact N-O 2.94Å; M343-A397 HydrophobicContact CE-CB 3.98Å; G344-A397 WeakPolarHBondContact O-CA 3.48Å; L345-A397 HydrophobicContact CD1-CB 3.83Å; Y350-A397 HydrophobicContact CD2-CB 3.59Å; Y350-A397 HydrophobicContact CE2-CB 4.12Å; Y350-A397 HydrophobicContact CG-CB 4.28Å
398	F	98.9	Very high	97.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	165.7	174.9	71	-90.4	0	0	0	110.7	V157 Y199 F315 V316 I317 M343 G344 I346 F400	V157-F398 HydrophobicContact CG1-CD1 4.26Å; V157-F398 HydrophobicContact CG1-CE1 4Å; V157-F398 HydrophobicContact CG1-CZ 4.4Å; Y199-F398 HydrophobicContact CD1-CZ 4.04Å; Y199-F398 AromaticContact CD2-CE1 3.65Å; Y199-F398 HydrophobicContact CD2-CE1 3.65Å; Y199-F398 AromaticContact CD2-CZ 3.47Å; Y199-F398 HydrophobicContact CD2-CZ 3.47Å; Y199-F398 VanDerWaalsContact CD2-CZ 3.47Å; Y199-F398 HydrophobicContact CE1-CZ 4.37Å; Y199-F398 AromaticContact CE2-CE1 3.72Å; Y199-F398 HydrophobicContact CE2-CE1 3.72Å; Y199-F398 AromaticContact CE2-CZ 3.86Å; Y199-F398 HydrophobicContact CE2-CZ 3.86Å; Y199-F398 HydrophobicContact CG-CE1 4.23Å; Y199-F398 AromaticContact CG-CZ 3.55Å; Y199-F398 HydrophobicContact CG-CZ 3.55Å; F315-F398 HydrophobicContact CD2-CB 4.5Å; F315-F398 HydrophobicContact CD2-CD2 4.2Å; F315-F398 HydrophobicContact CE2-CB 3.67Å; F315-F398 AromaticContact CE2-CD2 3.67Å; F315-F398 HydrophobicContact CE2-CD2 3.67Å; F315-F398 AromaticContact CE2-CG 3.8Å; F315-F398 HydrophobicContact CE2-CG 3.8Å; F315-F398 HydrophobicContact CZ-CB 4.29Å; V316-F398 CarbonylContact O-C 3.5Å; V316-F398 WeakPolarHBondContact O-CA 3.47Å; V316-F398 VanDerWaalsContact O-CB 3.25Å; V316-F398 WeakPolarHBondContact O-CB 3.37Å; I317-F398 HydrophobicContact CG2-CB 4.14Å; M343-F398 WeakPolarHBondContact CA-O 3.4Å; G344-F398 PolarHBondContact N-O 2.91Å; G344-F398 PolarHBondContact O-N 3.16Å; I346-F398 HydrophobicContact CD1-CD1 4.17Å; I346-F398 HydrophobicContact CG1-CD1 3.91Å; I346-F398 HydrophobicContact CG1-CE1 4.04Å; F398-F400 HydrophobicContact CD2-CD1 4.12Å; F398-F400 AromaticContact CD2-CE1 3.85Å; F398-F400 HydrophobicContact CD2-CE1 3.85Å; F398-F400 HydrophobicContact CD2-CZ 4.06Å; F398-F400 HydrophobicContact CE2-CD1 4.12Å; F398-F400 HydrophobicContact CE2-CD2 4.03Å; F398-F400 AromaticContact CE2-CE1 3.7Å; F398-F400 HydrophobicContact CE2-CE1 3.7Å; F398-F400 AromaticContact CE2-CE2 3.61Å; F398-F400 HydrophobicContact CE2-CE2 3.61Å; F398-F400 HydrophobicContact CE2-CG 4.27Å; F398-F400 AromaticContact CE2-CZ 3.42Å; F398-F400 HydrophobicContact CE2-CZ 3.42Å; F398-F400 VanDerWaalsContact CE2-CZ 3.42Å; F398-F400 HydrophobicContact CZ-CE2 4.35Å; F398-F400 HydrophobicContact CZ-CZ 4.21Å
399	M	98.9	Very high	97.5	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.015	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	137.6	175.6	-173.3	164.3	62.6	0	0	110.4	P295 V316 F318 E341 F342 M343 E401	P295-M399 HydrophobicContact CB-CE 4.5Å; V316-M399 HydrophobicContact CB-CB 4.23Å; V316-M399 HydrophobicContact CB-CE 4.41Å; V316-M399 HydrophobicContact CG2-CE 4.4Å; V316-M399 PolarHBondContact N-O 2.81Å; V316-M399 PolarHBondContact O-N 2.96Å; F318-M399 HydrophobicContact CE2-CB 4.1Å; F318-M399 HydrophobicContact CZ-CE 4.5Å; E341-M399 HydrophobicContact CB-CG 4.38Å; E341-M399 HydrophobicContact CB-SD 3.64Å; E341-M399 HydrophobicContact CG-SD 3.65Å; F342-M399 CarbonylContact O-C 3.55Å; F342-M399 VanDerWaalsContact O-CA 3.28Å; F342-M399 WeakPolarHBondContact O-CA 3.21Å; M343-M399 HydrophobicContact SD-CB 3.7Å; M343-M399 HydrophobicContact SD-CG 4.12Å; M343-M399 HydrophobicContact SD-SD 4.15Å; M399-E401 HydrophobicContact CE-CB 4.09Å; M399-E401 HydrophobicContact CG-CB 4.19Å; M399-E401 HydrophobicContact SD-CB 4.4Å
400	F	98.9	Very high	97.6	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	100.7	156.6	-56.3	-37.1	0	0	0	106.7	I133 L155 V157 L201 D314 F315 F342 F398	I133-F400 HydrophobicContact CD1-CB 3.9Å; I133-F400 HydrophobicContact CD1-CD2 3.97Å; I133-F400 HydrophobicContact CD1-CG 4.43Å; I133-F400 HydrophobicContact CG1-CD2 4.13Å; I133-F400 HydrophobicContact CG2-CD2 4.08Å; I133-F400 HydrophobicContact CG2-CE2 4.38Å; L155-F400 HydrophobicContact CD2-CE1 4Å; L155-F400 HydrophobicContact CD2-CZ 4.31Å; V157-F400 HydrophobicContact CG2-CE1 4.21Å; V157-F400 HydrophobicContact CG2-CZ 3.86Å; L201-F400 HydrophobicContact CB-CD1 3.89Å; L201-F400 HydrophobicContact CB-CD2 3.96Å; L201-F400 HydrophobicContact CB-CE1 3.77Å; L201-F400 HydrophobicContact CB-CE2 3.83Å; L201-F400 HydrophobicContact CB-CG 3.99Å; L201-F400 HydrophobicContact CB-CZ 3.74Å; L201-F400 HydrophobicContact CD1-CB 4.34Å; L201-F400 HydrophobicContact CD1-CG 4.36Å; L201-F400 HydrophobicContact CD2-CB 4.35Å; L201-F400 HydrophobicContact CD2-CD1 3.78Å; L201-F400 HydrophobicContact CD2-CE1 4.27Å; L201-F400 HydrophobicContact CD2-CG 4.11Å; L201-F400 HydrophobicContact CG-CD1 4.36Å; L201-F400 HydrophobicContact CG-CG 4.38Å; D314-F400 WeakPolarHBondContact O-CA 3.31Å; F315-F400 AromaticContact CD2-CD1 3.64Å; F315-F400 HydrophobicContact CD2-CD1 3.64Å; F315-F400 AromaticContact CD2-CE1 3.36Å; F315-F400 HydrophobicContact CD2-CE1 3.36Å; F315-F400 HydrophobicContact CE2-CD1 4.39Å; F315-F400 AromaticContact CE2-CE1 3.78Å; F315-F400 HydrophobicContact CE2-CE1 3.78Å; F315-F400 HydrophobicContact CG-CD1 4.5Å; F315-F400 HydrophobicContact CG-CE1 4.28Å; F342-F400 HydrophobicContact CB-CB 4.37Å; F342-F400 HydrophobicContact CD1-CB 4.46Å; F342-F400 AromaticContact CD1-CD2 3.72Å; F342-F400 HydrophobicContact CD1-CD2 3.72Å; F342-F400 HydrophobicContact CD1-CE2 4.45Å; F342-F400 HydrophobicContact CD1-CG 4.42Å; F342-F400 HydrophobicContact CE1-CD2 4.2Å; F342-F400 PolarHBondContact N-O 3.33Å; F342-F400 PolarHBondContact O-N 3.33Å; F398-F400 HydrophobicContact CD2-CD1 4.12Å; F398-F400 AromaticContact CD2-CE1 3.85Å; F398-F400 HydrophobicContact CD2-CE1 3.85Å; F398-F400 HydrophobicContact CD2-CZ 4.06Å; F398-F400 HydrophobicContact CE2-CD1 4.12Å; F398-F400 HydrophobicContact CE2-CD2 4.03Å; F398-F400 AromaticContact CE2-CE1 3.7Å; F398-F400 HydrophobicContact CE2-CE1 3.7Å; F398-F400 AromaticContact CE2-CE2 3.61Å; F398-F400 HydrophobicContact CE2-CE2 3.61Å; F398-F400 HydrophobicContact CE2-CG 4.27Å; F398-F400 AromaticContact CE2-CZ 3.42Å; F398-F400 HydrophobicContact CE2-CZ 3.42Å; F398-F400 VanDerWaalsContact CE2-CZ 3.42Å; F398-F400 HydrophobicContact CZ-CE2 4.35Å; F398-F400 HydrophobicContact CZ-CZ 4.21Å
401	E	98.8	Very high	97.7	Very high	19 Å²	19	27.5 Å²	27.5	9%	0.089	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	138.6	176.1	-177.3	178.8	-134.4	0	0	109.1	A313 D314 N337 M339 S340 E341 M399	A313-E401 CarbonylContact C-O 3.58Å; A313-E401 WeakPolarHBondContact CA-O 3.36Å; D314-E401 PolarHBondContact N-O 2.99Å; D314-E401 PolarHBondContact O-N 3.27Å; N337-E401 PolarHBondContact ND2-OE1 2.92Å; M339-E401 HydrophobicContact CB-CG 3.44Å; M339-E401 VanDerWaalsContact CB-CG 3.44Å; M339-E401 WeakPolarHBondContact CB-OE1 3.31Å; M339-E401 HydrophobicContact CE-CG 4.1Å; M339-E401 HydrophobicContact CG-CG 3.88Å; M339-E401 WeakPolarHBondContact CG-OE1 3.4Å; S340-E401 CarbonylContact O-C 3.52Å; S340-E401 WeakPolarHBondContact O-CA 3.25Å; E341-E401 HydrophobicContact CG-CG 4.32Å; M399-E401 HydrophobicContact CE-CB 4.09Å; M399-E401 HydrophobicContact CG-CB 4.19Å; M399-E401 HydrophobicContact SD-CB 4.4Å
402	S	98.7	Very high	97.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	143.3	-178.9	-173.4	0	0	0	0	113	I131 I312 M339 S340 F404	I131-S402 VanDerWaalsContact CD1-CB 3.41Å; I131-S402 VanDerWaalsContact CD1-OG 3.31Å; I131-S402 WeakPolarHBondContact CD1-OG 3.24Å; I312-S402 WeakPolarHBondContact O-CA 3.2Å; I312-S402 WeakPolarHBondContact O-CB 3.12Å; I312-S402 PolarHBondContact O-OG 2.8Å; M339-S402 CarbonylContact C-O 3.51Å; M339-S402 WeakPolarHBondContact CA-O 3.25Å; M339-S402 WeakPolarHBondContact CB-O 3.41Å; S340-S402 PolarHBondContact N-O 3.26Å; S340-S402 PolarHBondContact O-N 2.74Å; S402-F404 PolarHBondContact O-N 2.94Å; S402-F404 PolarHBondContact OG-N 3.33Å
403	S	98.3	Very high	98	Very high	29 Å²	29	27.4 Å²	27.4	20%	0.203	16%	0.158	C	C	.	.	S	Bend	trans	-71.3	-9.4	172.3	67.3	0	0	0	0	114.1	V310 A311 M339	V310-S403 VanDerWaalsContact CG1-CB 3.45Å; A311-S403 VanDerWaalsContact O-CB 3.27Å; A311-S403 WeakPolarHBondContact O-CB 3.01Å; A311-S403 PolarHBondContact O-OG 3.07Å; A311-S403 VanDerWaalsContact O-OG 3.12Å; M339-S403 VanDerWaalsContact CE-N 3.32Å
404	F	98.1	Very high	98	Very high	46 Å²	46	27.8 Å²	27.8	20%	0.202	16%	0.16	C	C	.	.	S	Bend	trans	-91.8	151.2	177.3	-63.6	-72.9	0	0	0	111.3	A122 N129 I312 S340 S402 M406	A122-F404 HydrophobicContact CB-CB 3.5Å; A122-F404 VanDerWaalsContact CB-CB 3.5Å; A122-F404 HydrophobicContact CB-CG 4.11Å; N129-F404 WeakPolarHBondContact ND2-CZ 3.2Å; I312-F404 HydrophobicContact CB-CE2 3.9Å; I312-F404 HydrophobicContact CG2-CE2 3.68Å; I312-F404 HydrophobicContact CG2-CZ 4.17Å; S340-F404 PolarHBondContact OG-O 2.78Å; S402-F404 PolarHBondContact O-N 2.94Å; S402-F404 PolarHBondContact OG-N 3.33Å; F404-M406 PolarHBondContact O-N 3.28Å
405	S	98.1	Very high	98.1	Very high	81 Å²	81	28.9 Å²	28.9	57%	0.566	16%	0.157	S	C	*	.			trans	-70.6	97.2	163.9	-66.3	0	0	0	0	109.4	M367 A407	M367-S405 PolarHBondContact SD-N 2.77Å; M367-S405 PolarHBondContact SD-OG 3.22Å; S405-A407 PolarHBondContact O-N 2.83Å
406	M	98.4	Very high	98.2	Very high	14 Å²	14	29 Å²	29	7%	0.069	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-65.5	122.5	177.4	-71.1	-173	-82.9	0	0	111.5	C120 G121 I131 I133 S340 F342 L364 F404	C120-M406 HydrophobicContact CB-CB 4.47Å; G121-M406 WeakPolarHBondContact O-CA 3.36Å; I131-M406 HydrophobicContact CD1-CG 3.99Å; I131-M406 HydrophobicContact CD1-SD 3.65Å; I133-M406 HydrophobicContact CD1-CE 4.22Å; I133-M406 HydrophobicContact CD1-SD 3.41Å; I133-M406 WeakPolarHBondContact CD1-SD 3.48Å; I133-M406 HydrophobicContact CG1-SD 4.3Å; S340-M406 WeakPolarHBondContact O-CE 3.42Å; S340-M406 WeakPolarHBondContact OG-CE 3.49Å; S340-M406 WeakPolarHBondContact OG-CG 3.12Å; F342-M406 HydrophobicContact CB-CE 4.01Å; L364-M406 HydrophobicContact CD1-CB 4.26Å; L364-M406 HydrophobicContact CD1-CE 3.65Å; L364-M406 HydrophobicContact CD1-SD 4.44Å; F404-M406 PolarHBondContact O-N 3.28Å
407	A	98.5	Very high	98	Very high	31 Å²	31	36.6 Å²	36.6	26%	0.256	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	136.5	173.3	0	0	0	0	0	110.2	W85 C120 G121 S405	W85-A407 HydrophobicContact CB-CB 4.04Å; C120-A407 CarbonylContact C-O 3.59Å; C120-A407 WeakPolarHBondContact CA-O 3.5Å; C120-A407 WeakPolarHBondContact CB-O 3.24Å; G121-A407 PolarHBondContact N-O 3.22Å; G121-A407 PolarHBondContact O-N 3.43Å; S405-A407 PolarHBondContact O-N 2.83Å
408	V	98.4	Very high	98	Very high	12 Å²	12	39.2 Å²	39.2	7%	0.073	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	141.8	176.7	68.7	0	0	0	0	110.8	V88 L95 W97 I119 L413	V88-V408 HydrophobicContact CG1-CG1 4.23Å; V88-V408 WeakPolarHBondContact CG2-O 3.48Å; L95-V408 HydrophobicContact CD1-CB 4.13Å; L95-V408 HydrophobicContact CD1-CG1 4.19Å; L95-V408 HydrophobicContact CD1-CG2 4.2Å; W97-V408 HydrophobicContact CH2-CG2 4.49Å; W97-V408 HydrophobicContact CZ2-CG2 3.88Å; I119-V408 WeakPolarHBondContact O-CG2 3.49Å; V408-L413 HydrophobicContact CG1-CB 3.92Å; V408-L413 HydrophobicContact CG1-CD1 4.31Å; V408-L413 HydrophobicContact CG1-CD2 4.27Å; V408-L413 HydrophobicContact CG1-CG 4.4Å; V408-L413 HydrophobicContact CG2-CB 4.05Å
409	T	98.7	Very high	97.9	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-78.8	165.7	175.4	68.8	0	0	0	0	111.2	T82 W85 E87 T118 I119 W411 G412 L413	T82-T409 HydrophobicContact CG2-CG2 3.58Å; W85-T409 HydrophobicContact CE3-CG2 4.46Å; W85-T409 HydrophobicContact CZ3-CG2 3.98Å; E87-T409 WeakPolarHBondContact OE1-CA 3.49Å; E87-T409 WeakPolarHBondContact OE1-CB 3.33Å; T118-T409 HydrophobicContact CG2-CG2 3.86Å; T118-T409 WeakPolarHBondContact O-CG2 3.5Å; T118-T409 PolarHBondContact O-OG1 2.78Å; I119-T409 PolarHBondContact O-N 3.4Å; I119-T409 PolarHBondContact O-OG1 2.76Å; T409-W411 PolarHBondContact O-N 2.7Å; T409-W411 PolarHBondContact OG1-N 3.34Å; T409-G412 PolarHBondContact O-N 3.22Å; T409-G412 PolarHBondContact OG1-N 3.34Å; T409-L413 WeakPolarHBondContact O-CB 3.35Å; T409-L413 PolarHBondContact O-N 3.36Å
410	K	98.3	Very high	97.7	Very high	110 Å²	110	42.3 Å²	42.3	48%	0.478	22%	0.22	S	C	.	.	H	α-helix	trans	-57.4	-36.2	171.1	-177.3	175.2	-177.4	174.3	0	111.5	E87 V88 Q414 T415	E87-K410 HydrophobicContact CG-CB 4.18Å; E87-K410 WeakPolarHBondContact OE1-CB 3Å; E87-K410 PolarHBondContact OE1-N 3.36Å; V88-K410 HydrophobicContact CG2-CB 4.24Å; K410-Q414 WeakPolarHBondContact O-CB 3.35Å; K410-Q414 PolarHBondContact O-N 2.77Å; K410-T415 PolarHBondContact O-N 2.74Å
411	W	98.5	Very high	97.5	Very high	27 Å²	27	50.8 Å²	50.8	10%	0.102	26%	0.257	C	S	.	.	I	π-helix	trans	-67.2	-49.1	176.2	-178.6	86.9	0	0	0	111.8	N80 F100 H117 I119 V135 T409 L413 T415 C416	N80-W411 HydrophobicContact CB-CB 4.43Å; N80-W411 HydrophobicContact CB-CG 4.12Å; F100-W411 AromaticContact CD1-CH2 3.47Å; F100-W411 HydrophobicContact CD1-CH2 3.47Å; F100-W411 VanDerWaalsContact CD1-CH2 3.47Å; F100-W411 HydrophobicContact CD1-CZ2 4.26Å; F100-W411 HydrophobicContact CD1-CZ3 4.2Å; F100-W411 AromaticContact CE1-CH2 3.6Å; F100-W411 HydrophobicContact CE1-CH2 3.6Å; F100-W411 AromaticContact CE1-CZ3 3.85Å; F100-W411 HydrophobicContact CE1-CZ3 3.85Å; F100-W411 HydrophobicContact CG-CH2 4.31Å; H117-W411 HydrophobicContact CB-CD2 3.79Å; H117-W411 HydrophobicContact CB-CE3 3.74Å; H117-W411 HydrophobicContact CB-CH2 3.5Å; H117-W411 VanDerWaalsContact CB-CH2 3.5Å; H117-W411 HydrophobicContact CB-CZ2 3.54Å; H117-W411 HydrophobicContact CB-CZ3 3.59Å; H117-W411 AromaticContact CE1-NE1 3.88Å; H117-W411 AromaticContact CG-CE2 3.65Å; H117-W411 AromaticContact CG-CH2 3.97Å; H117-W411 AromaticContact CG-CZ2 3.51Å; H117-W411 AromaticContact ND1-CD1 3.9Å; H117-W411 AromaticContact ND1-CE2 3.32Å; H117-W411 VanDerWaalsContact ND1-CE2 3.32Å; H117-W411 AromaticContact ND1-CZ2 3.58Å; H117-W411 AromaticContact ND1-NE1 3.24Å; H117-W411 PolarHBondContact ND1-NE1 2.81Å; I119-W411 HydrophobicContact CG1-CE3 4.49Å; I119-W411 HydrophobicContact CG1-CZ3 3.75Å; V135-W411 HydrophobicContact CG1-CH2 3.42Å; V135-W411 VanDerWaalsContact CG1-CH2 3.42Å; V135-W411 HydrophobicContact CG1-CZ2 4.44Å; V135-W411 HydrophobicContact CG1-CZ3 3.81Å; T409-W411 PolarHBondContact O-N 2.7Å; T409-W411 PolarHBondContact OG1-N 3.34Å; W411-L413 VanDerWaalsContact C-N 3.33Å; W411-L413 PolarHBondContact O-N 3.04Å; W411-T415 WeakPolarHBondContact CA-OG1 3.45Å; W411-T415 PolarHBondContact O-N 2.83Å; W411-C416 HydrophobicContact CD2-CB 3.93Å; W411-C416 HydrophobicContact CE3-CB 4.22Å; W411-C416 HydrophobicContact CH2-CB 3.9Å; W411-C416 HydrophobicContact CZ2-CB 3.58Å; W411-C416 HydrophobicContact CZ3-CB 4.2Å; W411-C416 VanDerWaalsContact O-CB 3.24Å; W411-C416 WeakPolarHBondContact O-CB 3.17Å; W411-C416 PolarHBondContact O-N 3.46Å; W411-C416 PolarHBondContact O-SG 3.26Å
412	G	97.9	Very high	97.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.272	C	S	.	.	I	π-helix	trans	-58.1	-44.4	177.7	0	0	0	0	0	112.1	W97 T409 C416	W97-G412 PolarHBondContact NE1-O 2.94Å; T409-G412 PolarHBondContact O-N 3.22Å; T409-G412 PolarHBondContact OG1-N 3.34Å; G412-C416 PolarHBondContact O-SG 2.85Å
413	L	97.5	Very high	97.1	Very high	35 Å²	35	53.5 Å²	53.5	18%	0.183	27%	0.274	C	S	.	.	I	π-helix	trans	-81.9	-39.7	-174.9	-172.7	65.2	0	0	0	113.9	V88 L95 V408 T409 W411 L419	V88-L413 HydrophobicContact CG1-CD2 3.43Å; V88-L413 VanDerWaalsContact CG1-CD2 3.43Å; L95-L413 HydrophobicContact CD2-CD1 4.39Å; V408-L413 HydrophobicContact CG1-CB 3.92Å; V408-L413 HydrophobicContact CG1-CD1 4.31Å; V408-L413 HydrophobicContact CG1-CD2 4.27Å; V408-L413 HydrophobicContact CG1-CG 4.4Å; V408-L413 HydrophobicContact CG2-CB 4.05Å; T409-L413 WeakPolarHBondContact O-CB 3.35Å; T409-L413 PolarHBondContact O-N 3.36Å; W411-L413 VanDerWaalsContact C-N 3.33Å; W411-L413 PolarHBondContact O-N 3.04Å; L413-L419 HydrophobicContact CD1-CD2 3.91Å
414	Q	95.8	Very high	97	Very high	113 Å²	113	58.2 Å²	58.2	53%	0.528	29%	0.288	S	S	.	.	I	π-helix	trans	-120.2	-53.1	-163.8	-58	175.1	-3.6	0	0	113.3	K410	K410-Q414 WeakPolarHBondContact O-CB 3.35Å; K410-Q414 PolarHBondContact O-N 2.77Å
415	T	97.2	Very high	96.8	Very high	72 Å²	72	59.9 Å²	59.9	44%	0.442	30%	0.296	S	S	.	.	I	π-helix	trans	-93.9	-12.2	-164.4	68.1	0	0	0	0	114.6	K410 W411 Q417	K410-T415 PolarHBondContact O-N 2.74Å; W411-T415 WeakPolarHBondContact CA-OG1 3.45Å; W411-T415 PolarHBondContact O-N 2.83Å; T415-Q417 PolarHBondContact O-N 2.99Å
416	C	96.8	Very high	96.6	Very high	13 Å²	13	57.4 Å²	57.4	9%	0.088	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-23.6	172.2	73.7	0	0	0	0	112.9	F100 W411 G412 R418	F100-C416 HydrophobicContact CE1-CB 4.46Å; W411-C416 HydrophobicContact CD2-CB 3.93Å; W411-C416 HydrophobicContact CE3-CB 4.22Å; W411-C416 HydrophobicContact CH2-CB 3.9Å; W411-C416 HydrophobicContact CZ2-CB 3.58Å; W411-C416 HydrophobicContact CZ3-CB 4.2Å; W411-C416 VanDerWaalsContact O-CB 3.24Å; W411-C416 WeakPolarHBondContact O-CB 3.17Å; W411-C416 PolarHBondContact O-N 3.46Å; W411-C416 PolarHBondContact O-SG 3.26Å; G412-C416 PolarHBondContact O-SG 2.85Å; C416-R418 HydrophobicContact CB-CG 4.49Å; C416-R418 WeakPolarHBondContact O-CG 3.43Å; C416-R418 PolarHBondContact O-N 3.39Å; C416-R418 PolarHBondContact SG-N 3.06Å; C416-R418 VanDerWaalsContact SG-N 3.42Å
417	Q	95.8	Very high	96.5	Very high	162 Å²	162	58.5 Å²	58.5	76%	0.757	28%	0.282	S	S	*	.	S	Bend	trans	57	26.4	-176.9	-53.9	179.6	14.7	0	0	114.2	T415	T415-Q417 PolarHBondContact O-N 2.99Å
418	R	96.9	Very high	96.4	Very high	55 Å²	55	62.9 Å²	62.9	21%	0.208	30%	0.297	C	S	.	.			trans	-113.3	-6.3	179.8	-54.6	-49.6	-69.5	156.1	-7.5	114.6	W97 L98 P99 F100 C416 D420	W97-R418 CarbonylContact C-O 3.46Å; W97-R418 WeakPolarHBondContact CA-O 3.22Å; W97-R418 HydrophobicContact CB-CB 4.4Å; L98-R418 HydrophobicContact CB-CB 4.48Å; L98-R418 VanDerWaalsContact CB-NH2 3.33Å; L98-R418 PolarHBondContact N-O 2.92Å; P99-R418 VanDerWaalsContact O-CZ 3.23Å; P99-R418 PolarHBondContact O-NE 3.35Å; P99-R418 PolarHBondContact O-NH2 3.45Å; F100-R418 HydrophobicContact CD1-CB 4.33Å; F100-R418 HydrophobicContact CD1-CG 4.03Å; F100-R418 HydrophobicContact CE1-CB 4.46Å; C416-R418 HydrophobicContact CB-CG 4.49Å; C416-R418 WeakPolarHBondContact O-CG 3.43Å; C416-R418 PolarHBondContact O-N 3.39Å; C416-R418 PolarHBondContact SG-N 3.06Å; C416-R418 VanDerWaalsContact SG-N 3.42Å; R418-D420 PolarHBondContact O-N 3.34Å
419	L	96.7	Very high	96.3	Very high	43 Å²	43	66.5 Å²	66.5	23%	0.225	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-64	125.1	179.4	-169.2	76.1	0	0	0	110.5	L95 R96 W97 L413 K421	L95-L419 HydrophobicContact CB-CD1 4.03Å; L95-L419 HydrophobicContact CD2-CD1 4.03Å; L95-L419 HydrophobicContact CG-CD1 4.48Å; R96-L419 WeakPolarHBondContact O-CA 3.22Å; W97-L419 HydrophobicContact CD2-CD1 4.46Å; W97-L419 HydrophobicContact CZ2-CD1 4.31Å; L413-L419 HydrophobicContact CD1-CD2 3.91Å; L419-K421 PolarHBondContact O-N 3.47Å
420	D	95.7	Very high	96.2	Very high	25 Å²	25	69.3 Å²	69.3	13%	0.134	34%	0.336	C	S	.	.			trans	-83.2	104.3	170.8	174.6	10.8	0	0	0	109.7	R96 R418 T422	R96-D420 HydrophobicContact CB-CB 4.36Å; R96-D420 IonicContact CZ-OD2 2.77Å; R96-D420 IonicContact NE-OD2 2.66Å; R96-D420 PolarHBondContact NE-OD2 3.37Å; R96-D420 IonicContact NH2-OD2 3.76Å; R96-D420 PolarHBondContact NH2-OD2 3.22Å; R96-D420 PolarHBondContact O-N 2.81Å; R418-D420 PolarHBondContact O-N 3.34Å; D420-T422 PolarHBondContact O-N 3.1Å; D420-T422 WeakPolarHBondContact OD1-CA 3.13Å; D420-T422 PolarHBondContact OD1-N 3.23Å; D420-T422 PolarHBondContact OD1-OG1 3.17Å
421	K	94.4	Very high	96.1	Very high	179 Å²	179	71.8 Å²	71.8	78%	0.778	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-9	-179.9	-63	-176.6	178.1	-178.4	0	113.6	L419	L419-K421 PolarHBondContact O-N 3.47Å
422	T	95.1	Very high	96.1	Very high	69 Å²	69	75.4 Å²	75.4	42%	0.423	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	10.4	-177.1	46.3	0	0	0	0	112.8	D420 Y424 Q425	D420-T422 PolarHBondContact O-N 3.1Å; D420-T422 WeakPolarHBondContact OD1-CA 3.13Å; D420-T422 PolarHBondContact OD1-N 3.23Å; D420-T422 PolarHBondContact OD1-OG1 3.17Å; T422-Y424 VanDerWaalsContact C-N 3.3Å; T422-Y424 PolarHBondContact O-N 3.17Å; T422-Q425 VanDerWaalsContact O-CB 3.3Å; T422-Q425 WeakPolarHBondContact O-CB 3.43Å; T422-Q425 WeakPolarHBondContact O-CG 3.34Å; T422-Q425 PolarHBondContact O-N 3.31Å
423	Y	95.3	Very high	96	Very high	6 Å²	6	80 Å²	80	2%	0.024	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-55.4	-41.5	-174.3	-176	-153.1	0	0	0	114.1	Q94 R96 K353 H365 Q425 C426 W427	Q94-Y423 HydrophobicContact CB-CD1 3.84Å; Q94-Y423 HydrophobicContact CB-CE1 3.79Å; R96-Y423 HydrophobicContact CB-CD1 3.5Å; R96-Y423 VanDerWaalsContact CB-CD1 3.5Å; R96-Y423 HydrophobicContact CB-CD2 3.92Å; R96-Y423 HydrophobicContact CB-CE1 3.82Å; R96-Y423 HydrophobicContact CB-CE2 4.23Å; R96-Y423 HydrophobicContact CB-CG 3.52Å; R96-Y423 HydrophobicContact CG-CD2 4.42Å; R96-Y423 HydrophobicContact CG-CG 4.48Å; R96-Y423 VanDerWaalsContact NE-CD2 3.29Å; K353-Y423 HydrophobicContact CD-CE2 4.45Å; H365-Y423 PolarHBondContact CE1-OH 3.27Å; H365-Y423 AromaticContact NE2-CE1 3.81Å; H365-Y423 AromaticContact NE2-CZ 3.83Å; H365-Y423 PolarHBondContact NE2-OH 3.43Å; H365-Y423 VanDerWaalsContact NE2-OH 3.09Å; Y423-Q425 PolarHBondContact O-N 3.12Å; Y423-Q425 VanDerWaalsContact O-N 3.12Å; Y423-C426 PolarHBondContact O-N 3.03Å; Y423-C426 PolarHBondContact O-SG 2.64Å; Y423-W427 HydrophobicContact CD1-CZ3 4.47Å; Y423-W427 HydrophobicContact CD2-CH2 4.13Å; Y423-W427 HydrophobicContact CD2-CZ3 4.05Å; Y423-W427 AromaticContact CE1-CH2 3.98Å; Y423-W427 HydrophobicContact CE1-CH2 3.98Å; Y423-W427 HydrophobicContact CE1-CZ3 4.37Å; Y423-W427 AromaticContact CE2-CH2 3.51Å; Y423-W427 HydrophobicContact CE2-CH2 3.51Å; Y423-W427 AromaticContact CE2-CZ3 3.91Å; Y423-W427 HydrophobicContact CE2-CZ3 3.91Å; Y423-W427 HydrophobicContact CG-CZ3 4.34Å; Y423-W427 AromaticContact CZ-CH2 3.45Å; Y423-W427 VanDerWaalsContact CZ-CH2 3.45Å; Y423-W427 WeakPolarHBondContact O-CZ3 3.45Å
424	Y	94.3	Very high	96	Very high	128 Å²	128	86.1 Å²	86.1	50%	0.502	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-59.4	-25.4	-179.6	72.3	-84.9	0	0	0	113.5	T422 C426 W427 E428	T422-Y424 VanDerWaalsContact C-N 3.3Å; T422-Y424 PolarHBondContact O-N 3.17Å; Y424-C426 PolarHBondContact O-N 3.18Å; Y424-W427 PolarHBondContact O-N 2.67Å; Y424-E428 HydrophobicContact CD2-CG 4.26Å; Y424-E428 HydrophobicContact CE2-CG 4.42Å; Y424-E428 VanDerWaalsContact CE2-OE1 3.29Å; Y424-E428 WeakPolarHBondContact CE2-OE1 3.32Å
425	Q	95.6	Very high	96	Very high	81 Å²	81	84.9 Å²	84.9	38%	0.379	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-65.4	-20.8	-175.6	-61.6	-176.1	-25.8	0	0	112.7	T422 Y423 W427 E428 P429	T422-Q425 VanDerWaalsContact O-CB 3.3Å; T422-Q425 WeakPolarHBondContact O-CB 3.43Å; T422-Q425 WeakPolarHBondContact O-CG 3.34Å; T422-Q425 PolarHBondContact O-N 3.31Å; Y423-Q425 PolarHBondContact O-N 3.12Å; Y423-Q425 VanDerWaalsContact O-N 3.12Å; Q425-W427 PolarHBondContact O-N 2.88Å; Q425-W427 VanDerWaalsContact O-N 3.17Å; Q425-E428 PolarHBondContact O-N 3.36Å; Q425-P429 VanDerWaalsContact O-CD 3.31Å; Q425-P429 WeakPolarHBondContact O-CD 3.45Å
426	C	93	Very high	95.9	Very high	29 Å²	29	86 Å²	86	20%	0.196	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-66.3	-16.7	178.2	71.1	0	0	0	0	113.9	K353 D374 A375 Y423 Y424	K353-C426 PolarHBondContact NZ-SG 3.02Å; D374-C426 HydrophobicContact CB-CB 3.98Å; D374-C426 WeakPolarHBondContact CB-O 3.3Å; A375-C426 PolarHBondContact N-O 3.2Å; Y423-C426 PolarHBondContact O-N 3.03Å; Y423-C426 PolarHBondContact O-SG 2.64Å; Y424-C426 PolarHBondContact O-N 3.18Å
427	W	95.7	Very high	95.9	Very high	37 Å²	37	91.8 Å²	91.8	14%	0.14	45%	0.454	C	S	.	.	G	3₁₀ helix	trans	-103.1	-13.8	175	-62.8	-77.7	0	0	0	114.1	G372 P373 Y423 Y424 Q425 P429 L430	G372-W427 PolarHBondContact O-NE1 2.76Å; P373-W427 VanDerWaalsContact O-CD1 3.25Å; P373-W427 PolarHBondContact O-NE1 3.48Å; P373-W427 VanDerWaalsContact O-NE1 3.16Å; Y423-W427 HydrophobicContact CD1-CZ3 4.47Å; Y423-W427 HydrophobicContact CD2-CH2 4.13Å; Y423-W427 HydrophobicContact CD2-CZ3 4.05Å; Y423-W427 AromaticContact CE1-CH2 3.98Å; Y423-W427 HydrophobicContact CE1-CH2 3.98Å; Y423-W427 HydrophobicContact CE1-CZ3 4.37Å; Y423-W427 AromaticContact CE2-CH2 3.51Å; Y423-W427 HydrophobicContact CE2-CH2 3.51Å; Y423-W427 AromaticContact CE2-CZ3 3.91Å; Y423-W427 HydrophobicContact CE2-CZ3 3.91Å; Y423-W427 HydrophobicContact CG-CZ3 4.34Å; Y423-W427 AromaticContact CZ-CH2 3.45Å; Y423-W427 VanDerWaalsContact CZ-CH2 3.45Å; Y423-W427 WeakPolarHBondContact O-CZ3 3.45Å; Y424-W427 PolarHBondContact O-N 2.67Å; Q425-W427 PolarHBondContact O-N 2.88Å; Q425-W427 VanDerWaalsContact O-N 3.17Å; W427-P429 VanDerWaalsContact C-CD 3.42Å; W427-P429 VanDerWaalsContact C-N 3.32Å; W427-L430 HydrophobicContact CB-CD1 4.12Å; W427-L430 HydrophobicContact CG-CD1 4.45Å; W427-L430 WeakPolarHBondContact O-CB 3.29Å; W427-L430 WeakPolarHBondContact O-CG 3.3Å; W427-L430 PolarHBondContact O-N 3.04Å; W427-L430 VanDerWaalsContact O-N 3.1Å
428	E	96.4	Very high	95.9	Very high	124 Å²	124	92.5 Å²	92.5	58%	0.579	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-35.5	-179	-72.9	-173.2	137.8	0	0	114.3	Y424 Q425 L430	Y424-E428 HydrophobicContact CD2-CG 4.26Å; Y424-E428 HydrophobicContact CE2-CG 4.42Å; Y424-E428 VanDerWaalsContact CE2-OE1 3.29Å; Y424-E428 WeakPolarHBondContact CE2-OE1 3.32Å; Q425-E428 PolarHBondContact O-N 3.36Å; E428-L430 PolarHBondContact O-N 3.01Å
429	P	96.8	Very high	95.7	Very high	88 Å²	88	98 Å²	98	57%	0.571	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-6.6	178.4	-19.5	33	0	0	0	115	A375 Q425 W427 R431	A375-P429 HydrophobicContact CB-CB 3.76Å; A375-P429 HydrophobicContact CB-CG 4.29Å; Q425-P429 VanDerWaalsContact O-CD 3.31Å; Q425-P429 WeakPolarHBondContact O-CD 3.45Å; W427-P429 VanDerWaalsContact C-CD 3.42Å; W427-P429 VanDerWaalsContact C-N 3.32Å; P429-R431 PolarHBondContact O-N 3.24Å
430	L	96.4	Very high	95.2	Very high	59 Å²	59	100.5 Å²	100.5	31%	0.309	49%	0.494	S	S	.	.			trans	-61.1	133.9	176.4	-72.5	171.6	0	0	0	110.8	Y334 A375 F378 W427 E428	Y334-L430 HydrophobicContact CE1-CD1 3.99Å; Y334-L430 VanDerWaalsContact OH-CD2 3.24Å; Y334-L430 WeakPolarHBondContact OH-CD2 3.49Å; A375-L430 HydrophobicContact CB-CD2 4.02Å; A375-L430 HydrophobicContact CB-CG 4.11Å; F378-L430 HydrophobicContact CB-CD2 4.16Å; F378-L430 HydrophobicContact CD1-CD2 4.49Å; F378-L430 HydrophobicContact CG-CD2 4.35Å; W427-L430 HydrophobicContact CB-CD1 4.12Å; W427-L430 HydrophobicContact CG-CD1 4.45Å; W427-L430 WeakPolarHBondContact O-CB 3.29Å; W427-L430 WeakPolarHBondContact O-CG 3.3Å; W427-L430 PolarHBondContact O-N 3.04Å; W427-L430 VanDerWaalsContact O-N 3.1Å; E428-L430 PolarHBondContact O-N 3.01Å
431	R	97	Very high	94.2	Very high	162 Å²	162	109.7 Å²	109.7	61%	0.611	53%	0.527	S	S	*	.			trans	-127.5	160.1	-176	63.2	-177.7	172.8	167.7	0.1	112	E379 P429 H433	E379-R431 IonicContact OE1-NE 3.4Å; E379-R431 PolarHBondContact OE1-NE 3.48Å; E379-R431 IonicContact OE1-NH2 3.74Å; E379-R431 IonicContact OE2-NH2 2.77Å; E379-R431 PolarHBondContact OE2-NH2 3Å; P429-R431 PolarHBondContact O-N 3.24Å; R431-H433 PolarHBondContact NE-CE1 3.11Å; R431-H433 PolarHBondContact O-CD2 3.05Å; R431-H433 PolarHBondContact O-N 3.32Å
432	S	97.6	Very high	92.6	Very high	103 Å²	103	111.5 Å²	111.5	72%	0.72	53%	0.534	S	S	*	.			trans	-70.3	125.6	171.5	-177.1	0	0	0	0	110.7	F434	S432-F434 PolarHBondContact OG-N 3.31Å
433	H	95.7	Very high	90.7	Very high	97 Å²	97	115.7 Å²	115.7	45%	0.449	55%	0.549	S	S	.	.			trans	-103.4	5.3	168.2	-68.1	-79.6	0	0	0	112.3	F378 E379 R431 N435	F378-H433 AromaticContact CE1-CD2 3.63Å; F378-H433 AromaticContact CE1-NE2 3.63Å; E379-H433 IonicContact OE1-CE1 2.9Å; E379-H433 PolarHBondContact OE1-CE1 3.01Å; E379-H433 IonicContact OE1-NE2 2.65Å; E379-H433 PolarHBondContact OE1-NE2 3.27Å; E379-H433 IonicContact OE2-CE1 3.41Å; E379-H433 IonicContact OE2-NE2 3.2Å; R431-H433 PolarHBondContact NE-CE1 3.11Å; R431-H433 PolarHBondContact O-CD2 3.05Å; R431-H433 PolarHBondContact O-N 3.32Å; H433-N435 PolarHBondContact O-N 3.41Å
434	F	97.3	Very high	88.3	Confident	163 Å²	163	126 Å²	126	72%	0.715	59%	0.59	S	S	*	*			trans	-66.4	121.6	-176	176.1	-114.8	0	0	0	111.3	S432 P436	S432-F434 PolarHBondContact OG-N 3.31Å; F434-P436 HydrophobicContact CE1-CB 3.9Å; F434-P436 HydrophobicContact CE1-CG 4.21Å; F434-P436 HydrophobicContact CZ-CB 3.82Å
435	N	96.2	Very high	85.9	Confident	87 Å²	87	131 Å²	131	47%	0.465	61%	0.608	S	S	.	*			trans	-121	104.4	173.8	178.9	0.7	0	0	0	109.6	H433 N437 W438	H433-N435 PolarHBondContact O-N 3.41Å; N435-N437 PolarHBondContact O-N 2.77Å; N435-N437 VanDerWaalsContact O-N 3.11Å; N435-N437 WeakPolarHBondContact OD1-CB 3.48Å; N435-N437 PolarHBondContact OD1-N 3.4Å; N435-W438 HydrophobicContact CB-CB 4.25Å; N435-W438 VanDerWaalsContact O-CB 3.3Å; N435-W438 WeakPolarHBondContact O-CB 3.31Å; N435-W438 PolarHBondContact O-N 3.2Å
436	P	96.2	Very high	83.5	Confident	95 Å²	95	133.5 Å²	133.5	62%	0.617	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-14.2	-178.2	27.2	-34.9	0	0	0	113.5	F434	F434-P436 HydrophobicContact CE1-CB 3.9Å; F434-P436 HydrophobicContact CE1-CG 4.21Å; F434-P436 HydrophobicContact CZ-CB 3.82Å
437	N	96.6	Very high	81.1	Confident	135 Å²	135	142.2 Å²	142.2	72%	0.722	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	2.2	177.4	-60.6	-49.4	0	0	0	113	N435 K439	N435-N437 PolarHBondContact O-N 2.77Å; N435-N437 VanDerWaalsContact O-N 3.11Å; N435-N437 WeakPolarHBondContact OD1-CB 3.48Å; N435-N437 PolarHBondContact OD1-N 3.4Å; N437-K439 PolarHBondContact O-N 3.44Å
438	W	95.8	Very high	78.8	Confident	177 Å²	177	143.7 Å²	143.7	67%	0.67	69%	0.688	S	S	*	*			trans	-61.1	136.9	177.8	-178.3	93	0	0	0	110.4	N435 P440	N435-W438 HydrophobicContact CB-CB 4.25Å; N435-W438 VanDerWaalsContact O-CB 3.3Å; N435-W438 WeakPolarHBondContact O-CB 3.31Å; N435-W438 PolarHBondContact O-N 3.2Å; W438-P440 VanDerWaalsContact CH2-CA 3.41Å; W438-P440 HydrophobicContact CH2-CB 3.88Å; W438-P440 HydrophobicContact CZ3-CB 3.96Å; W438-P440 HydrophobicContact CZ3-CG 4.5Å
439	K	91.8	Very high	76.3	Confident	170 Å²	170	146.1 Å²	146.1	74%	0.739	70%	0.699	S	S	*	*			trans	-118.2	139.4	175.3	-65	-174.1	179.9	-178.2	0	109	N437 R441	N437-K439 PolarHBondContact O-N 3.44Å; K439-R441 PolarHBondContact O-N 3.41Å
440	P	87.4	Confident	73.7	Confident	96 Å²	96	151.4 Å²	151.4	62%	0.623	72%	0.716	S	S	*	*			trans	-58.5	132.6	174.8	23.4	-31.4	0	0	0	109.8	W438 K442	W438-P440 VanDerWaalsContact CH2-CA 3.41Å; W438-P440 HydrophobicContact CH2-CB 3.88Å; W438-P440 HydrophobicContact CZ3-CB 3.96Å; W438-P440 HydrophobicContact CZ3-CG 4.5Å; P440-K442 PolarHBondContact O-N 3.43Å
441	R	74.6	Confident	70.9	Confident	219 Å²	219	153.7 Å²	153.7	83%	0.826	74%	0.744	S	S	*	*			trans	-61.5	130.3	166.8	-72.5	-176.7	178.4	-179.6	0.6	106.8	K439 Q443	K439-R441 PolarHBondContact O-N 3.41Å; R441-Q443 VanDerWaalsContact C-N 3.28Å; R441-Q443 PolarHBondContact O-N 3.25Å
442	K	58.8	Low	68.3	Low	216 Å²	216	150.7 Å²	150.7	94%	0.939	75%	0.748	S	S	*	*			trans	-62.4	92.3	170.8	-75.2	-177.6	175.9	-175.7	0	108.2	P440	P440-K442 PolarHBondContact O-N 3.43Å
443	Q	55.3	Low	65.6	Low	157 Å²	157	154.1 Å²	154.1	73%	0.734	75%	0.754	S	S	*	*			trans	-130.7	130.3	163.8	-91.1	177.9	-28.8	0	0	106.7	R441	R441-Q443 VanDerWaalsContact C-N 3.28Å; R441-Q443 PolarHBondContact O-N 3.25Å
444	Y	44.7	Very low	62.7	Low	223 Å²	223	158.8 Å²	158.8	88%	0.875	78%	0.779	S	S	*	*	S	Bend	trans	86.5	59.5	-170.2	-56.3	-78.8	0	0	0	117.3
445	R	44.6	Very low	59.8	Low	234 Å²	234	155.5 Å²	155.5	88%	0.883	78%	0.782	S	S	*	*	S	Bend	trans	-143.4	138.9	132.5	-77.4	-163.4	178.7	-177	-2.8	108.2
446	D	45.6	Very low	57.2	Low	132 Å²	132	157.6 Å²	157.6	71%	0.706	80%	0.8	S	S	*	*			trans	90.8	64.8	168.2	-46.8	-23.2	0	0	0	117.7
447	E	43.2	Very low	54.6	Low	213 Å²	213	157.9 Å²	157.9	100%	0.995	81%	0.81	S	S	*	*	S	Bend	trans	-112.5	75.1	137.5	-76.9	-170.4	-178.6	0	0	107.6
448	G	46.4	Very low	52	Low	68 Å²	68	164.3 Å²	164.3	70%	0.701	84%	0.836	S	S	*	*	S	Bend	trans	162.8	35.4	179.2	0	0	0	0	0	117.1
449	E	44.4	Very low	49.8	Very low	174 Å²	174	163.7 Å²	163.7	81%	0.813	84%	0.844	S	S	*	*	S	Bend	trans	-163.1	83.6	163.6	-116.1	171.5	-159.7	0	0	110.2
450	E	41.3	Very low	47.5	Very low	199 Å²	199	163.3 Å²	163.3	93%	0.93	85%	0.85	S	S	*	*			trans	177.7	75.1	142.4	-101.5	-177.3	179.6	0	0	109.7
451	A	39.4	Very low	45.3	Very low	107 Å²	107	167.1 Å²	167.1	88%	0.884	86%	0.863	S	S	*	*			trans	-142.9	54.9	161	0	0	0	0	0	109.5
452	S	41.6	Very low	43.6	Very low	100 Å²	100	164 Å²	164	70%	0.699	87%	0.865	S	S	*	*			trans	-156.6	142.2	159.5	100.1	0	0	0	0	110.6
453	M	41	Very low	42.7	Very low	174 Å²	174	160.8 Å²	160.8	86%	0.857	86%	0.86	S	S	*	*			trans	87.3	80	176.1	-46.9	-160.1	-153.1	0	0	116.5
454	M	34.5	Very low	41.8	Very low	196 Å²	196	161 Å²	161	97%	0.966	87%	0.868	S	S	*	*				-150.8	99.4	116.2	-80.1	-152.4	179.6	0	0	109.4
455	A	36.2	Very low	41.6	Very low	94 Å²	94	156.6 Å²	156.6	78%	0.777	87%	0.868	S	S	*	*	P	Polyproline II helix	trans	-90.4	138.4	154.8	0	0	0	0	0	107.6
456	P	41.3	Very low	41.4	Very low	130 Å²	130	150.6 Å²	150.6	84%	0.844	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-78.5	130.9	177.9	31.4	-30.1	0	0	0	109.9
457	A	41.1	Very low	41	Very low	101 Å²	101	152.2 Å²	152.2	84%	0.835	88%	0.88	S	S	*	*	P	Polyproline II helix	trans	-76.3	142.5	167.6	0	0	0	0	0	110.3
458	Q	42	Very low	40.8	Very low	270 Å²	270	146.6 Å²	146.6	100%	1.262	87%	0.87	S	S	*	*			trans	-63.4	0	165.7	-74.2	179.7	-18.6	0	0	112

Retrieved 458 of 458 residues in 1283.9 ms (Link to these results)

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