A0A087X1N3_HUMAN Loading...

Ribonuclease P 40kDa subunit, isoform CRA_c

AlphaFold DB , UniProt , Accession A0A087X1N3, Species HUMAN (Homo sapiens, Human), Gene RPP40, Length 321 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	53.3	Low	68.2	Low	195 Å²	195	143.5 Å²	143.5	96%	0.961	72%	0.715	S	S	*	*				0	-33.8	0	-77	-169.9	-174.2	0	0	114.1	T3	M1-T3 PolarHBondContact O-N 3.5Å
2	A	59.8	Low	68.2	Low	76 Å²	76	147.9 Å²	147.9	63%	0.628	72%	0.717	S	S	*	*	H	α-helix	trans	-66.6	-32.4	178.4	0	0	0	0	0	114.5	R5	A2-R5 PolarHBondContact O-N 3.49Å
3	T	60.7	Low	68.7	Low	112 Å²	112	147.8 Å²	147.8	69%	0.687	71%	0.714	S	S	*	*	H	α-helix	trans	-66.9	-35.4	179.5	38.4	0	0	0	0	113.8	M1 R5	M1-T3 PolarHBondContact O-N 3.5Å; T3-R5 VanDerWaalsContact C-N 3.32Å; T3-R5 PolarHBondContact O-N 3.32Å
4	L	71.6	Confident	69.5	Low	116 Å²	116	143.4 Å²	143.4	61%	0.607	70%	0.695	S	S	*	*	H	α-helix	trans	-75.1	-20.5	177.4	-65	175.3	0	0	0	113.2	L7	L4-L7 HydrophobicContact CD2-CD1 4.06Å
5	R	72.7	Confident	70.5	Confident	191 Å²	191	137.7 Å²	137.7	72%	0.721	67%	0.669	S	S	*	*	H	α-helix	trans	-69.9	-43.8	177.9	-72.5	-176.4	178.6	179.7	-1.3	111.6	A2 T3 L7 R8 E9	A2-R5 PolarHBondContact O-N 3.49Å; T3-R5 VanDerWaalsContact C-N 3.32Å; T3-R5 PolarHBondContact O-N 3.32Å; R5-L7 PolarHBondContact O-N 2.97Å; R5-R8 PolarHBondContact O-N 3.47Å; R5-E9 PolarHBondContact O-N 3.45Å; R5-E9 VanDerWaalsContact O-N 3.1Å
6	R	71.4	Confident	71.7	Confident	207 Å²	207	131.2 Å²	131.2	78%	0.781	64%	0.64	S	S	*	*	H	α-helix	trans	-62.9	-24.9	177.5	-69.3	-174.4	178.8	179.5	-0.3	113.5	R8	R6-R8 VanDerWaalsContact C-N 3.31Å
7	L	70.9	Confident	72.9	Confident	141 Å²	141	126.1 Å²	126.1	74%	0.738	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-18.8	176	-65.1	175.5	0	0	0	113.4	L4 R5	L4-L7 HydrophobicContact CD2-CD1 4.06Å; R5-L7 PolarHBondContact O-N 2.97Å
8	R	71.7	Confident	74.1	Confident	235 Å²	235	122.8 Å²	122.8	89%	0.887	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	-1	178.9	-67.4	-176.2	171.6	-175.1	-3.4	112.9	R5 R6	R5-R8 PolarHBondContact O-N 3.47Å; R6-R8 VanDerWaalsContact C-N 3.31Å
9	E	78.4	Confident	75.2	Confident	141 Å²	141	120.9 Å²	120.9	66%	0.659	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-77.1	128	-177.9	-168	168.1	-166.3	0	0	109.5	R5	R5-E9 PolarHBondContact O-N 3.45Å; R5-E9 VanDerWaalsContact O-N 3.1Å
10	A	68.8	Low	76.3	Confident	74 Å²	74	116.3 Å²	116.3	61%	0.612	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-70	138.1	-178.8	0	0	0	0	0	110.2
11	P	71.1	Confident	77.3	Confident	90 Å²	90	112.6 Å²	112.6	58%	0.584	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-60.6	146.2	167.9	28.7	-33.5	0	0	0	109.2	H13	P11-H13 PolarHBondContact O-N 3.49Å; P11-H13 PolarHBondContact O-ND1 3.34Å
12	R	67.8	Low	79.3	Confident	197 Å²	197	104.6 Å²	104.6	74%	0.743	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-64.9	131	172.2	-66.9	-178.8	177.7	-177.5	-2.3	108.4	A315	R12-A315 HydrophobicContact CB-CB 3.96Å; R12-A315 WeakPolarHBondContact CB-O 3.32Å; R12-A315 WeakPolarHBondContact O-CA 3.48Å; R12-A315 WeakPolarHBondContact O-CB 2.91Å
13	H	75.3	Confident	81	Confident	146 Å²	146	103.6 Å²	103.6	68%	0.676	51%	0.512	S	S	*	.			trans	-146.6	143.9	171.5	54.9	-78.7	0	0	0	106.2	P11	P11-H13 PolarHBondContact O-N 3.49Å; P11-H13 PolarHBondContact O-ND1 3.34Å
14	L	79.4	Confident	82.7	Confident	86 Å²	86	101.5 Å²	101.5	45%	0.45	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	123.3	177.2	-176.5	68.5	0	0	0	108.2	V16 V313 C319	L14-V16 HydrophobicContact CD2-CG2 4.16Å; L14-V16 HydrophobicContact CG-CG2 4.08Å; L14-V313 HydrophobicContact CB-CB 4.45Å; L14-V313 PolarHBondContact N-O 3.36Å; L14-V313 PolarHBondContact O-N 2.98Å; L14-C319 HydrophobicContact CD2-CB 3.92Å
15	L	85.4	Confident	83.7	Confident	58 Å²	58	103.9 Å²	103.9	30%	0.304	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125	167.1	-170.6	77.7	0	0	0	107.8	L196 F199 M311 A312	L15-L196 HydrophobicContact CD2-CD1 3.36Å; L15-F199 HydrophobicContact CD1-CD1 4.38Å; L15-F199 HydrophobicContact CD1-CD2 3.93Å; L15-F199 HydrophobicContact CD1-CE1 4.2Å; L15-F199 HydrophobicContact CD1-CE2 3.73Å; L15-F199 HydrophobicContact CD1-CG 4.27Å; L15-F199 HydrophobicContact CD1-CZ 3.89Å; L15-F199 HydrophobicContact CD2-CG 4.4Å; L15-M311 WeakPolarHBondContact CA-O 3.16Å; L15-M311 WeakPolarHBondContact CD1-O 3.5Å; L15-A312 HydrophobicContact CD1-CB 3.92Å
16	V	88.9	Confident	84.7	Confident	34 Å²	34	102.2 Å²	102.2	21%	0.206	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	130.1	173	179.5	0	0	0	0	107.9	L14 E18 Q310 M311 C319	L14-V16 HydrophobicContact CD2-CG2 4.16Å; L14-V16 HydrophobicContact CG-CG2 4.08Å; V16-E18 HydrophobicContact CG1-CG 4.03Å; V16-Q310 CarbonylContact O-C 3.58Å; V16-Q310 WeakPolarHBondContact O-CA 3.25Å; V16-M311 HydrophobicContact CB-CB 4.48Å; V16-M311 HydrophobicContact CB-CE 4.17Å; V16-M311 HydrophobicContact CG1-CE 3.98Å; V16-M311 PolarHBondContact N-O 3.4Å; V16-M311 PolarHBondContact O-N 3.17Å; V16-C319 HydrophobicContact CG2-CB 3.87Å; V16-C319 WeakPolarHBondContact CG2-SG 3.5Å
17	C	92.4	Very high	85.7	Confident	45 Å²	45	93.3 Å²	93.3	30%	0.304	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.9	175.9	-165.7	0	0	0	0	110.1	A195 L309	C17-A195 WeakPolarHBondContact SG-CB 3.24Å; C17-L309 CarbonylContact C-O 3.55Å; C17-L309 WeakPolarHBondContact CA-O 3.37Å
18	E	94.1	Very high	86.8	Confident	66 Å²	66	92.8 Å²	92.8	31%	0.308	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.7	-179.7	-59.6	-174.5	165.7	0	0	110.2	V16 W308 L309	V16-E18 HydrophobicContact CG1-CG 4.03Å; E18-W308 CarbonylContact O-C 3.56Å; E18-W308 VanDerWaalsContact O-CA 3.29Å; E18-W308 WeakPolarHBondContact O-CA 3.27Å; E18-L309 HydrophobicContact CB-CB 4.38Å; E18-L309 PolarHBondContact N-O 2.82Å; E18-L309 PolarHBondContact O-N 2.88Å
19	K	95.9	Very high	87.8	Confident	88 Å²	88	82.9 Å²	82.9	38%	0.383	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	134.4	168.9	-177.6	-155.2	173.4	-166.3	0	108.6	S182 L185 D306 Y307	K19-S182 WeakPolarHBondContact CD-O 3.41Å; K19-S182 WeakPolarHBondContact CE-O 3.23Å; K19-L185 HydrophobicContact CB-CD1 4.09Å; K19-L185 HydrophobicContact CB-CD2 4.16Å; K19-L185 HydrophobicContact CB-CG 4.19Å; K19-D306 WeakPolarHBondContact CE-OD2 3.4Å; K19-D306 IonicContact NZ-OD2 3.63Å; K19-Y307 WeakPolarHBondContact CA-O 3.29Å
20	S	97.1	Very high	88.5	Confident	27 Å²	27	82 Å²	82	19%	0.189	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	-170.8	172.9	-176.2	0	0	0	0	110.3	S27 D306 Y307	S20-S27 PolarHBondContact OG-OG 2.73Å; S20-D306 WeakPolarHBondContact O-CA 3.24Å; S20-Y307 VanDerWaalsContact CB-CZ 3.43Å; S20-Y307 WeakPolarHBondContact CB-OH 3.14Å; S20-Y307 PolarHBondContact N-O 2.76Å; S20-Y307 PolarHBondContact O-N 2.84Å; S20-Y307 PolarHBondContact OG-OH 2.94Å
21	N	97.1	Very high	89.6	Confident	40 Å²	40	83 Å²	83	21%	0.214	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	142.2	-177.1	-174.8	-79.3	0	0	0	109.8	G23 N24 S27 N304 Q305 D306	N21-G23 WeakPolarHBondContact OD1-CA 3.44Å; N21-G23 PolarHBondContact OD1-N 3.48Å; N21-N24 HydrophobicContact CB-CB 4.32Å; N21-N24 PolarHBondContact O-N 2.75Å; N21-S27 VanDerWaalsContact O-CB 3.23Å; N21-S27 WeakPolarHBondContact O-CB 3.47Å; N21-S27 PolarHBondContact O-OG 2.96Å; N21-N304 PolarHBondContact ND2-O 3.16Å; N21-Q305 CarbonylContact C-O 2.83Å; N21-Q305 WeakPolarHBondContact CA-O 3.24Å; N21-Q305 PolarHBondContact ND2-O 3.2Å; N21-D306 PolarHBondContact ND2-OD1 3.23Å
22	F	95.8	Very high	90.5	Very high	26 Å²	26	79.3 Å²	79.3	11%	0.114	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-34.3	-179.4	-72.2	-72.3	0	0	0	112.7	N24 H29 L252 C256 F299 I301 Q305 Y307	F22-N24 VanDerWaalsContact C-N 3.28Å; F22-N24 PolarHBondContact O-N 3.15Å; F22-H29 AromaticContact CD1-CD2 3.71Å; F22-H29 AromaticContact CD1-CE1 3.97Å; F22-H29 AromaticContact CD1-CG 3.87Å; F22-H29 AromaticContact CD1-NE2 3.83Å; F22-H29 HydrophobicContact CE1-CB 4.29Å; F22-H29 AromaticContact CE1-CD2 3.9Å; F22-H29 AromaticContact CE1-CG 4Å; F22-L252 HydrophobicContact CE1-CD1 4.03Å; F22-L252 HydrophobicContact CE1-CD2 4.38Å; F22-L252 HydrophobicContact CE1-CG 4.25Å; F22-L252 HydrophobicContact CZ-CD1 3.98Å; F22-C256 HydrophobicContact CD2-CB 4.46Å; F22-F299 HydrophobicContact CZ-CD1 4.42Å; F22-I301 HydrophobicContact CE2-CB 4.44Å; F22-I301 HydrophobicContact CE2-CG1 4.13Å; F22-I301 HydrophobicContact CE2-CG2 3.84Å; F22-I301 HydrophobicContact CZ-CD1 4.35Å; F22-I301 HydrophobicContact CZ-CG1 4.03Å; F22-Q305 HydrophobicContact CB-CB 4.45Å; F22-Q305 WeakPolarHBondContact CD2-O 3.34Å; F22-Q305 PolarHBondContact N-O 2.65Å; F22-Y307 AromaticContact CD1-CD1 3.97Å; F22-Y307 HydrophobicContact CD1-CD1 3.97Å; F22-Y307 HydrophobicContact CD1-CE1 4.11Å; F22-Y307 AromaticContact CD2-CD1 3.77Å; F22-Y307 HydrophobicContact CD2-CD1 3.77Å; F22-Y307 AromaticContact CE1-CD1 3.8Å; F22-Y307 HydrophobicContact CE1-CD1 3.8Å; F22-Y307 HydrophobicContact CE1-CE1 4.15Å; F22-Y307 HydrophobicContact CE1-CG 4.36Å; F22-Y307 AromaticContact CE2-CD1 3.57Å; F22-Y307 HydrophobicContact CE2-CD1 3.57Å; F22-Y307 AromaticContact CE2-CG 3.96Å; F22-Y307 HydrophobicContact CE2-CG 3.96Å; F22-Y307 AromaticContact CG-CD1 3.95Å; F22-Y307 HydrophobicContact CG-CD1 3.95Å; F22-Y307 HydrophobicContact CG-CE1 4.32Å; F22-Y307 AromaticContact CZ-CD1 3.58Å; F22-Y307 HydrophobicContact CZ-CD1 3.58Å; F22-Y307 HydrophobicContact CZ-CE1 4.38Å; F22-Y307 AromaticContact CZ-CG 3.84Å; F22-Y307 HydrophobicContact CZ-CG 3.84Å
23	G	94.8	Very high	91.7	Very high	56 Å²	56	69.9 Å²	69.9	58%	0.577	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-8.7	177.3	0	0	0	0	0	114.6	N21 H25	N21-G23 WeakPolarHBondContact OD1-CA 3.44Å; N21-G23 PolarHBondContact OD1-N 3.48Å; G23-H25 PolarHBondContact O-N 3.14Å
24	N	95.3	Very high	92.4	Very high	68 Å²	68	65.9 Å²	65.9	36%	0.364	33%	0.327	S	S	.	.			trans	-74.5	120.8	178.9	-176.9	-9.5	0	0	0	111.1	N21 F22 K26 S27	N21-N24 HydrophobicContact CB-CB 4.32Å; N21-N24 PolarHBondContact O-N 2.75Å; F22-N24 VanDerWaalsContact C-N 3.28Å; F22-N24 PolarHBondContact O-N 3.15Å; N24-K26 PolarHBondContact O-N 3.04Å; N24-K26 PolarHBondContact OD1-N 3.23Å; N24-S27 WeakPolarHBondContact O-CB 3.45Å; N24-S27 PolarHBondContact O-N 3.4Å
25	H	93.2	Very high	92.7	Very high	165 Å²	165	62.3 Å²	62.3	76%	0.764	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-20.8	177.9	64.9	-78.7	0	0	0	115.3	G23	G23-H25 PolarHBondContact O-N 3.14Å
26	K	93.4	Very high	92.9	Very high	156 Å²	156	59.6 Å²	59.6	68%	0.678	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-2.7	175.3	-64.4	178.6	-177.7	174.9	0	113.4	N24 R28	N24-K26 PolarHBondContact O-N 3.04Å; N24-K26 PolarHBondContact OD1-N 3.23Å; K26-R28 PolarHBondContact O-N 3.04Å
27	S	93.4	Very high	92.9	Very high	21 Å²	21	58.7 Å²	58.7	15%	0.147	29%	0.288	C	S	.	.			trans	-62.7	130.6	-179.9	-162	0	0	0	0	110.2	S20 N21 N24 H29 Y307	S20-S27 PolarHBondContact OG-OG 2.73Å; N21-S27 VanDerWaalsContact O-CB 3.23Å; N21-S27 WeakPolarHBondContact O-CB 3.47Å; N21-S27 PolarHBondContact O-OG 2.96Å; N24-S27 WeakPolarHBondContact O-CB 3.45Å; N24-S27 PolarHBondContact O-N 3.4Å; S27-H29 WeakPolarHBondContact CB-ND1 3.22Å; S27-H29 PolarHBondContact OG-ND1 3.06Å; S27-Y307 WeakPolarHBondContact OG-CE1 2.97Å; S27-Y307 PolarHBondContact OG-OH 3.18Å
28	R	92.7	Very high	92.9	Very high	129 Å²	129	56.6 Å²	56.6	49%	0.487	27%	0.273	S	S	.	.			trans	-101.9	6.5	-176.1	-61.1	-174.3	-166.8	156	9.6	114	K26 R30 H31 L32 P321	K26-R28 PolarHBondContact O-N 3.04Å; R28-R30 VanDerWaalsContact C-N 3.28Å; R28-R30 PolarHBondContact O-N 2.97Å; R28-R30 VanDerWaalsContact O-N 3.15Å; R28-H31 WeakPolarHBondContact O-CA 3.17Å; R28-H31 WeakPolarHBondContact O-CB 3.42Å; R28-H31 PolarHBondContact O-N 3.17Å; R28-L32 PolarHBondContact O-N 3.45Å; R28-P321 PolarHBondContact NH1-O 3.37Å; R28-P321 PolarHBondContact NH1-OXT 3.32Å
29	H	94	Very high	92.9	Very high	28 Å²	28	53.4 Å²	53.4	13%	0.13	26%	0.259	C	S	.	.	H	α-helix	trans	-46.6	-48.5	-177.7	59.8	-84.4	0	0	0	113	F22 S27 L32 V33 F299 Y307	F22-H29 AromaticContact CD1-CD2 3.71Å; F22-H29 AromaticContact CD1-CE1 3.97Å; F22-H29 AromaticContact CD1-CG 3.87Å; F22-H29 AromaticContact CD1-NE2 3.83Å; F22-H29 HydrophobicContact CE1-CB 4.29Å; F22-H29 AromaticContact CE1-CD2 3.9Å; F22-H29 AromaticContact CE1-CG 4Å; S27-H29 WeakPolarHBondContact CB-ND1 3.22Å; S27-H29 PolarHBondContact OG-ND1 3.06Å; H29-L32 PolarHBondContact O-N 3.06Å; H29-V33 WeakPolarHBondContact O-CG2 3.28Å; H29-V33 PolarHBondContact O-N 2.97Å; H29-F299 HydrophobicContact CB-CE1 3.74Å; H29-F299 HydrophobicContact CB-CZ 3.96Å; H29-Y307 HydrophobicContact CB-CE1 4.15Å; H29-Y307 HydrophobicContact CB-CE2 4.37Å
30	R	93.3	Very high	92.8	Very high	122 Å²	122	54.2 Å²	54.2	46%	0.46	26%	0.26	S	S	.	.	H	α-helix	trans	-67	-41.9	179.6	-173.2	-178.7	-79.4	165.5	-2.3	112	R28 Q34 E253	R28-R30 VanDerWaalsContact C-N 3.28Å; R28-R30 PolarHBondContact O-N 2.97Å; R28-R30 VanDerWaalsContact O-N 3.15Å; R30-Q34 HydrophobicContact CG-CG 4.42Å; R30-Q34 WeakPolarHBondContact O-CB 3.39Å; R30-Q34 VanDerWaalsContact O-CG 3.22Å; R30-Q34 WeakPolarHBondContact O-CG 3.42Å; R30-Q34 PolarHBondContact O-N 2.92Å; R30-E253 IonicContact CZ-OE1 3.25Å; R30-E253 VanDerWaalsContact CZ-OE1 3.25Å; R30-E253 IonicContact NE-OE1 3.14Å; R30-E253 PolarHBondContact NE-OE1 2.96Å; R30-E253 VanDerWaalsContact NE-OE1 3.14Å; R30-E253 IonicContact NH2-OE1 2.65Å; R30-E253 PolarHBondContact NH2-OE1 3.29Å
31	H	90.7	Very high	92.8	Very high	94 Å²	94	56.3 Å²	56.3	44%	0.435	26%	0.264	S	S	.	.	H	α-helix	trans	-62.8	-44.7	178.8	178.3	65	0	0	0	111.2	R28 V33 Q34 T35 E283	R28-H31 WeakPolarHBondContact O-CA 3.17Å; R28-H31 WeakPolarHBondContact O-CB 3.42Å; R28-H31 PolarHBondContact O-N 3.17Å; H31-V33 PolarHBondContact O-N 3.47Å; H31-Q34 PolarHBondContact O-N 2.98Å; H31-T35 VanDerWaalsContact CE1-CG2 3.42Å; H31-T35 WeakPolarHBondContact CE1-CG2 3.41Å; H31-T35 WeakPolarHBondContact O-CG2 3.22Å; H31-T35 PolarHBondContact O-N 3.1Å; H31-T35 PolarHBondContact O-OG1 3.37Å; H31-E283 IonicContact CE1-OE1 3.27Å; H31-E283 PolarHBondContact CE1-OE1 3.31Å; H31-E283 IonicContact NE2-OE1 3.02Å; H31-E283 PolarHBondContact NE2-OE1 3.37Å
32	L	90.9	Very high	92.8	Very high	13 Å²	13	54.5 Å²	54.5	7%	0.068	25%	0.254	C	S	.	.	H	α-helix	trans	-60	-44.6	179.4	-176.7	152.9	0	0	0	112.8	R28 H29 T35 H36 W282 Y297 L309 M311	R28-L32 PolarHBondContact O-N 3.45Å; H29-L32 PolarHBondContact O-N 3.06Å; L32-T35 PolarHBondContact O-N 2.98Å; L32-T35 PolarHBondContact O-OG1 2.91Å; L32-H36 PolarHBondContact O-N 3.33Å; L32-W282 HydrophobicContact CD2-CZ2 4.33Å; L32-W282 PolarHBondContact O-NE1 3.45Å; L32-Y297 HydrophobicContact CD2-CD2 4.08Å; L32-Y297 HydrophobicContact CD2-CE2 4.36Å; L32-Y297 HydrophobicContact CD2-CG 4.18Å; L32-L309 HydrophobicContact CD1-CD1 4.06Å; L32-L309 HydrophobicContact CD1-CD2 3.44Å; L32-L309 VanDerWaalsContact CD1-CD2 3.44Å; L32-L309 HydrophobicContact CD1-CG 4.33Å; L32-L309 HydrophobicContact CD2-CD1 4.33Å; L32-M311 HydrophobicContact CD1-CE 4.41Å; L32-M311 HydrophobicContact CD1-SD 3.63Å
33	V	92.6	Very high	92.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.5	-44.3	176.8	176.5	0	0	0	0	110.4	H29 H31 T35 H36 P245 I248 C249 L252 Y297 F299	H29-V33 WeakPolarHBondContact O-CG2 3.28Å; H29-V33 PolarHBondContact O-N 2.97Å; H31-V33 PolarHBondContact O-N 3.47Å; V33-T35 VanDerWaalsContact C-N 3.27Å; V33-T35 PolarHBondContact O-N 3.19Å; V33-H36 PolarHBondContact O-N 2.84Å; V33-P245 VanDerWaalsContact O-CB 3.24Å; V33-P245 WeakPolarHBondContact O-CB 3.15Å; V33-I248 HydrophobicContact CG1-CB 3.86Å; V33-I248 HydrophobicContact CG1-CG2 3.71Å; V33-C249 VanDerWaalsContact CG1-SG 3.52Å; V33-L252 HydrophobicContact CG2-CD2 3.99Å; V33-Y297 HydrophobicContact CG2-CE2 4Å; V33-F299 HydrophobicContact CG2-CE2 3.8Å; V33-F299 HydrophobicContact CG2-CZ 4.19Å
34	Q	90.1	Very high	93	Very high	61 Å²	61	50.7 Å²	50.7	29%	0.285	22%	0.222	S	C	.	.	H	α-helix	trans	-68.8	-21.8	-178.9	-71.8	179.5	-6.8	0	0	114.5	R30 H31 C249	R30-Q34 HydrophobicContact CG-CG 4.42Å; R30-Q34 WeakPolarHBondContact O-CB 3.39Å; R30-Q34 VanDerWaalsContact O-CG 3.22Å; R30-Q34 WeakPolarHBondContact O-CG 3.42Å; R30-Q34 PolarHBondContact O-N 2.92Å; H31-Q34 PolarHBondContact O-N 2.98Å; Q34-C249 VanDerWaalsContact CG-SG 3.54Å
35	T	86.3	Confident	93.2	Very high	11 Å²	11	47.5 Å²	47.5	7%	0.067	21%	0.205	C	C	.	.	H	α-helix	trans	-96.2	-3	178.2	55.9	0	0	0	0	113.5	H31 L32 V33 Y37 W282 E283	H31-T35 VanDerWaalsContact CE1-CG2 3.42Å; H31-T35 WeakPolarHBondContact CE1-CG2 3.41Å; H31-T35 WeakPolarHBondContact O-CG2 3.22Å; H31-T35 PolarHBondContact O-N 3.1Å; H31-T35 PolarHBondContact O-OG1 3.37Å; L32-T35 PolarHBondContact O-N 2.98Å; L32-T35 PolarHBondContact O-OG1 2.91Å; V33-T35 VanDerWaalsContact C-N 3.27Å; V33-T35 PolarHBondContact O-N 3.19Å; T35-Y37 PolarHBondContact O-N 2.88Å; T35-W282 WeakPolarHBondContact O-CA 3.48Å; T35-E283 HydrophobicContact CG2-CG 3.58Å; T35-E283 WeakPolarHBondContact CG2-OE1 3.39Å; T35-E283 PolarHBondContact O-N 2.76Å; T35-E283 VanDerWaalsContact O-N 3.11Å
36	H	89.3	Confident	93.4	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	17%	0.168	C	C	.	.			trans	-91.8	91.8	169.3	-170.7	-86.2	0	0	0	110.4	L32 V33 Y38 N39 W282 H295 Y297	L32-H36 PolarHBondContact O-N 3.33Å; V33-H36 PolarHBondContact O-N 2.84Å; H36-Y38 PolarHBondContact CE1-O 3.1Å; H36-N39 PolarHBondContact CE1-OD1 3.32Å; H36-N39 VanDerWaalsContact CE1-OD1 3.29Å; H36-N39 PolarHBondContact ND1-OD1 3.29Å; H36-N39 PolarHBondContact O-ND2 3.2Å; H36-W282 AromaticContact CD2-CD2 3.66Å; H36-W282 AromaticContact CD2-CE2 3.38Å; H36-W282 AromaticContact CD2-CE3 3.95Å; H36-W282 AromaticContact CD2-CH2 3.75Å; H36-W282 AromaticContact CD2-CZ2 3.44Å; H36-W282 VanDerWaalsContact CD2-CZ2 3.44Å; H36-W282 WeakPolarHBondContact CD2-CZ2 3.38Å; H36-W282 AromaticContact CD2-CZ3 4Å; H36-W282 AromaticContact CD2-NE1 3.86Å; H36-H295 AromaticContact CD2-ND1 3.77Å; H36-H295 AromaticContact NE2-CE1 3.74Å; H36-H295 AromaticContact NE2-CG 3.37Å; H36-H295 AromaticContact NE2-ND1 3.15Å; H36-H295 PolarHBondContact NE2-ND1 3.45Å; H36-H295 VanDerWaalsContact NE2-ND1 3.15Å; H36-Y297 HydrophobicContact CB-CE1 4.07Å; H36-Y297 AromaticContact CD2-CE1 3.98Å; H36-Y297 AromaticContact CG-CE1 3.68Å; H36-Y297 AromaticContact ND1-CE1 3.78Å
37	Y	89.1	Confident	93.5	Very high	15 Å²	15	32.2 Å²	32.2	6%	0.059	14%	0.136	C	C	.	.			trans	-74.7	-36	-163.3	-56.2	-43.4	0	0	0	115.1	T35 Y93 L110 P111	T35-Y37 PolarHBondContact O-N 2.88Å; Y37-Y93 HydrophobicContact CD1-CE1 4.31Å; Y37-L110 HydrophobicContact CD2-CD2 4.06Å; Y37-L110 HydrophobicContact CD2-CG 3.84Å; Y37-L110 HydrophobicContact CE2-CD2 3.63Å; Y37-L110 HydrophobicContact CE2-CG 3.88Å; Y37-P111 HydrophobicContact CD1-CG 3.77Å; Y37-P111 HydrophobicContact CE1-CG 3.73Å; Y37-P111 HydrophobicContact CG-CG 4.48Å
38	Y	91.5	Very high	93.6	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	15%	0.148	C	C	.	.			trans	-116.1	104.7	-170.5	-56.1	-63.9	0	0	0	110.8	H36 A94 L95 A108 L109 F242 G274	H36-Y38 PolarHBondContact CE1-O 3.1Å; Y38-A94 PolarHBondContact OH-O 2.81Å; Y38-L95 HydrophobicContact CD1-CB 4.23Å; Y38-L95 HydrophobicContact CD1-CD2 4.25Å; Y38-L95 HydrophobicContact CE1-CB 4.12Å; Y38-L95 HydrophobicContact CG-CD2 4.22Å; Y38-A108 HydrophobicContact CE2-CB 4.06Å; Y38-A108 WeakPolarHBondContact OH-CB 3.27Å; Y38-L109 VanDerWaalsContact OH-C 3.25Å; Y38-L109 PolarHBondContact OH-N 3.21Å; Y38-L109 PolarHBondContact OH-O 3.15Å; Y38-F242 AromaticContact CD1-CE2 3.74Å; Y38-F242 HydrophobicContact CD1-CE2 3.74Å; Y38-F242 AromaticContact CD1-CZ 3.74Å; Y38-F242 HydrophobicContact CD1-CZ 3.74Å; Y38-F242 HydrophobicContact CE1-CE2 4.43Å; Y38-F242 HydrophobicContact CE1-CZ 4.11Å; Y38-G274 WeakPolarHBondContact O-CA 3.4Å
39	N	94.2	Very high	93.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	126.9	-176.4	-48.7	-87.1	0	0	0	110.1	H36 I243 I248 V272 F275	H36-N39 PolarHBondContact CE1-OD1 3.32Å; H36-N39 VanDerWaalsContact CE1-OD1 3.29Å; H36-N39 PolarHBondContact ND1-OD1 3.29Å; H36-N39 PolarHBondContact O-ND2 3.2Å; N39-I243 HydrophobicContact CB-CB 4.12Å; N39-I243 WeakPolarHBondContact CB-O 3.36Å; N39-I243 PolarHBondContact ND2-O 2.94Å; N39-I243 PolarHBondContact O-N 2.54Å; N39-I248 HydrophobicContact CB-CD1 3.68Å; N39-I248 WeakPolarHBondContact OD1-CD1 3.3Å; N39-V272 HydrophobicContact CB-CG1 4.07Å; N39-V272 VanDerWaalsContact OD1-CG1 3.24Å; N39-V272 WeakPolarHBondContact OD1-CG1 3.43Å; N39-F275 WeakPolarHBondContact O-CE2 3.35Å
40	Y	95.2	Very high	93	Very high	104 Å²	104	30 Å²	30	41%	0.408	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-48.9	-177.8	176.5	-117.6	0	0	0	112.6	T240 G241 Q273 F275	Y40-T240 HydrophobicContact CD2-CG2 4.47Å; Y40-T240 HydrophobicContact CE1-CG2 3.9Å; Y40-T240 HydrophobicContact CE2-CG2 3.77Å; Y40-T240 VanDerWaalsContact CZ-CG2 3.44Å; Y40-T240 WeakPolarHBondContact O-CA 3.35Å; Y40-T240 WeakPolarHBondContact OH-CG2 3.42Å; Y40-G241 CarbonylContact C-O 3.55Å; Y40-G241 VanDerWaalsContact CA-O 3.28Å; Y40-G241 WeakPolarHBondContact CA-O 3.34Å; Y40-G241 WeakPolarHBondContact CD2-O 3.45Å; Y40-G241 PolarHBondContact O-N 3.21Å; Y40-Q273 PolarHBondContact N-O 3.03Å; Y40-F275 HydrophobicContact CD2-CD1 4.22Å; Y40-F275 AromaticContact CD2-CE1 3.47Å; Y40-F275 HydrophobicContact CD2-CE1 3.47Å; Y40-F275 VanDerWaalsContact CD2-CE1 3.47Å; Y40-F275 HydrophobicContact CD2-CE2 4.48Å; Y40-F275 AromaticContact CD2-CZ 3.62Å; Y40-F275 HydrophobicContact CD2-CZ 3.62Å; Y40-F275 HydrophobicContact CE2-CE1 4.31Å; Y40-F275 HydrophobicContact CG-CD1 4.33Å; Y40-F275 AromaticContact CG-CE1 3.98Å; Y40-F275 HydrophobicContact CG-CE1 3.98Å; Y40-F275 HydrophobicContact CG-CZ 4.13Å
41	R	96.1	Very high	92.6	Very high	72 Å²	72	31 Å²	31	27%	0.272	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	122.8	-175.8	-170.8	177.5	67.1	166.9	-0.8	109.9	T238 I239 V272 Q273	R41-T238 HydrophobicContact CG-CG2 3.76Å; R41-I239 WeakPolarHBondContact CA-O 3.31Å; R41-V272 WeakPolarHBondContact O-CA 3.49Å; R41-Q273 HydrophobicContact CB-CB 4.24Å; R41-Q273 PolarHBondContact N-O 3.41Å; R41-Q273 PolarHBondContact O-N 3.22Å
42	V	97.6	Very high	92.5	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	118.8	175.6	179	0	0	0	0	107.7	T238 I239 I243 I248 L251 L270 S271 V272	V42-T238 WeakPolarHBondContact O-CA 3.5Å; V42-I239 HydrophobicContact CB-CB 4.39Å; V42-I239 PolarHBondContact N-O 3.47Å; V42-I239 PolarHBondContact O-N 3.07Å; V42-I243 HydrophobicContact CG2-CB 4.29Å; V42-I243 HydrophobicContact CG2-CG1 4.24Å; V42-I243 HydrophobicContact CG2-CG2 4.15Å; V42-I248 HydrophobicContact CG2-CD1 3.72Å; V42-I248 HydrophobicContact CG2-CG1 4.06Å; V42-L251 HydrophobicContact CG1-CD2 3.8Å; V42-L270 HydrophobicContact CG1-CD1 3.81Å; V42-S271 CarbonylContact C-O 3.52Å; V42-S271 WeakPolarHBondContact CA-O 3.14Å; V42-V272 HydrophobicContact CG1-CG2 4.21Å; V42-V272 HydrophobicContact CG2-CG1 4.17Å; V42-V272 HydrophobicContact CG2-CG2 4.22Å
43	S	97.6	Very high	92.5	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	142.6	177.7	-55.6	0	0	0	0	110.9	C237 T238 S271	S43-C237 CarbonylContact C-O 3.55Å; S43-C237 WeakPolarHBondContact CA-O 3.45Å; S43-C237 WeakPolarHBondContact CB-O 3.3Å; S43-T238 WeakPolarHBondContact OG-CG2 3.27Å; S43-T238 PolarHBondContact OG-OG1 3.25Å; S43-S271 PolarHBondContact N-O 2.81Å; S43-S271 PolarHBondContact O-N 3.3Å
44	F	97.6	Very high	92.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	146	171.9	63.4	-96.9	0	0	0	110.4	I46 L52 L56 V60 Y235 C237 L251 L255 T269 L270	F44-I46 HydrophobicContact CD2-CD1 4.15Å; F44-I46 HydrophobicContact CD2-CG1 4.12Å; F44-I46 HydrophobicContact CE2-CD1 4.12Å; F44-L52 HydrophobicContact CE2-CD1 4.07Å; F44-L52 HydrophobicContact CZ-CD2 4.27Å; F44-L56 HydrophobicContact CE2-CD2 4.15Å; F44-L56 HydrophobicContact CZ-CD1 4.39Å; F44-L56 HydrophobicContact CZ-CD2 4.28Å; F44-L56 HydrophobicContact CZ-CG 4.26Å; F44-V60 HydrophobicContact CE1-CG2 3.66Å; F44-V60 HydrophobicContact CZ-CG2 3.85Å; F44-Y235 HydrophobicContact CE2-CD1 4.34Å; F44-C237 HydrophobicContact CD1-CB 3.91Å; F44-C237 HydrophobicContact CD2-CB 4.1Å; F44-C237 HydrophobicContact CE1-CB 3.41Å; F44-C237 VanDerWaalsContact CE1-CB 3.41Å; F44-C237 WeakPolarHBondContact CE1-SG 3.44Å; F44-C237 HydrophobicContact CE2-CB 3.62Å; F44-C237 HydrophobicContact CG-CB 4.24Å; F44-C237 HydrophobicContact CZ-CB 3.25Å; F44-C237 PolarHBondContact N-O 2.85Å; F44-C237 PolarHBondContact O-N 2.93Å; F44-L251 HydrophobicContact CD1-CD1 4.34Å; F44-L251 HydrophobicContact CD1-CD2 4.14Å; F44-L251 HydrophobicContact CE1-CD1 4.23Å; F44-L251 HydrophobicContact CE1-CD2 4.49Å; F44-L255 HydrophobicContact CB-CD1 4.16Å; F44-T269 WeakPolarHBondContact CA-O 3.44Å; F44-T269 WeakPolarHBondContact CB-O 3.26Å; F44-L270 HydrophobicContact CB-CD1 4.24Å
45	L	97.6	Very high	92.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	130.7	178.9	-175	147.4	0	0	0	110.1	P47 L172 L175 V205 F206 Y235 L236 W267 T269	L45-P47 HydrophobicContact CD2-CG 3.84Å; L45-L172 HydrophobicContact CD1-CD1 4.49Å; L45-L175 HydrophobicContact CD1-CD2 4.16Å; L45-V205 HydrophobicContact CD1-CG1 3.51Å; L45-F206 HydrophobicContact CB-CE1 4.3Å; L45-Y235 VanDerWaalsContact CA-O 3.31Å; L45-Y235 WeakPolarHBondContact CA-O 3.47Å; L45-L236 HydrophobicContact CB-CD1 4.49Å; L45-W267 HydrophobicContact CD2-CH2 4.35Å; L45-W267 HydrophobicContact CD2-CZ3 3.98Å; L45-T269 WeakPolarHBondContact CB-OG1 3.36Å; L45-T269 PolarHBondContact N-O 2.82Å; L45-T269 PolarHBondContact N-OG1 2.89Å; L45-T269 PolarHBondContact O-N 2.95Å
46	I	97.5	Very high	93	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	104.8	178.2	-51.4	177.6	0	0	0	107.7	F44 C49 L52 L56 Y235 L255 Y258 V268	F44-I46 HydrophobicContact CD2-CD1 4.15Å; F44-I46 HydrophobicContact CD2-CG1 4.12Å; F44-I46 HydrophobicContact CE2-CD1 4.12Å; I46-C49 HydrophobicContact CB-CB 3.82Å; I46-C49 HydrophobicContact CG2-CB 3.49Å; I46-C49 VanDerWaalsContact CG2-CB 3.49Å; I46-C49 WeakPolarHBondContact O-CB 3.47Å; I46-L52 HydrophobicContact CD1-CD1 3.92Å; I46-L56 HydrophobicContact CD1-CD2 4.16Å; I46-Y235 PolarHBondContact N-O 3.41Å; I46-Y235 PolarHBondContact O-N 3.43Å; I46-L255 HydrophobicContact CD1-CD2 4.29Å; I46-Y258 HydrophobicContact CG2-CE1 3.88Å; I46-Y258 HydrophobicContact CG2-CE2 4.38Å; I46-Y258 WeakPolarHBondContact CG2-OH 3.5Å; I46-V268 HydrophobicContact CB-CG1 4.27Å; I46-V268 HydrophobicContact CG1-CB 4.42Å; I46-V268 HydrophobicContact CG1-CG1 4.09Å; I46-V268 HydrophobicContact CG2-CG1 3.8Å
47	P	96.5	Very high	93.2	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	152.9	171.8	-17.6	32	0	0	0	110.9	L45 C49 V231 A265 W267	L45-P47 HydrophobicContact CD2-CG 3.84Å; P47-C49 PolarHBondContact O-N 3.47Å; P47-V231 HydrophobicContact CB-CG1 4.15Å; P47-V231 HydrophobicContact CB-CG2 4.31Å; P47-A265 VanDerWaalsContact O-CB 3.23Å; P47-A265 WeakPolarHBondContact O-CB 3.45Å; P47-W267 WeakPolarHBondContact CD-O 3.49Å; P47-W267 HydrophobicContact CG-CD2 4.35Å; P47-W267 HydrophobicContact CG-CE3 3.95Å; P47-W267 HydrophobicContact CG-CH2 3.93Å; P47-W267 HydrophobicContact CG-CZ2 4.35Å; P47-W267 HydrophobicContact CG-CZ3 3.7Å
48	E	94.9	Very high	93.5	Very high	84 Å²	84	46.3 Å²	46.3	39%	0.393	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	25	178.3	-61.9	-174.9	142.5	0	0	114.7	V231 K233 L264 A265	E48-V231 HydrophobicContact CB-CG1 4.42Å; E48-V231 HydrophobicContact CG-CB 4.38Å; E48-V231 HydrophobicContact CG-CG1 3.56Å; E48-V231 HydrophobicContact CG-CG2 4.15Å; E48-V231 VanDerWaalsContact N-CG1 3.29Å; E48-K233 WeakPolarHBondContact CA-O 3.32Å; E48-K233 PolarHBondContact N-O 3.1Å; E48-L264 HydrophobicContact CB-CB 4.04Å; E48-L264 WeakPolarHBondContact OE2-CB 3.19Å; E48-A265 PolarHBondContact OE2-N 3.34Å
49	C	92.1	Very high	93.6	Very high	8 Å²	8	47.9 Å²	47.9	5%	0.054	24%	0.241	C	C	.	.			trans	-105.8	113.9	178.2	-173.3	0	0	0	0	110.7	I46 P47 I51 K233	I46-C49 HydrophobicContact CB-CB 3.82Å; I46-C49 HydrophobicContact CG2-CB 3.49Å; I46-C49 VanDerWaalsContact CG2-CB 3.49Å; I46-C49 WeakPolarHBondContact O-CB 3.47Å; P47-C49 PolarHBondContact O-N 3.47Å; C49-I51 PolarHBondContact SG-O 3.26Å; C49-K233 PolarHBondContact N-O 3.06Å
50	G	81.6	Confident	93.6	Very high	39 Å²	39	48 Å²	48	40%	0.402	24%	0.241	S	C	.	.	S	Bend	trans	-92.5	-27.5	174.4	0	0	0	0	0	114.1
51	I	85.3	Confident	93.4	Very high	143 Å²	143	47.7 Å²	47.7	73%	0.733	25%	0.245	S	C	*	.	S	Bend	trans	-141.7	122.9	-175.5	-57.2	173.8	0	0	0	108.5	C49	C49-I51 PolarHBondContact SG-O 3.26Å
52	L	88.9	Confident	93.3	Very high	6 Å²	6	49 Å²	49	3%	0.031	26%	0.257	C	S	.	.			trans	-74.4	140.4	173.8	-157.7	71.2	0	0	0	110.7	F44 I46 L56 K57 Y235	F44-L52 HydrophobicContact CE2-CD1 4.07Å; F44-L52 HydrophobicContact CZ-CD2 4.27Å; I46-L52 HydrophobicContact CD1-CD1 3.92Å; L52-L56 HydrophobicContact CD1-CB 4.49Å; L52-L56 HydrophobicContact CD1-CD2 3.44Å; L52-L56 VanDerWaalsContact CD1-CD2 3.44Å; L52-L56 HydrophobicContact CD1-CG 4.02Å; L52-L56 HydrophobicContact CD2-CB 4.3Å; L52-L56 HydrophobicContact CD2-CD2 4.32Å; L52-L56 HydrophobicContact CD2-CG 3.95Å; L52-L56 HydrophobicContact CG-CB 4.08Å; L52-L56 HydrophobicContact CG-CD2 3.95Å; L52-L56 HydrophobicContact CG-CG 3.98Å; L52-K57 HydrophobicContact CB-CG 4.08Å; L52-K57 HydrophobicContact CD2-CG 3.77Å; L52-K57 HydrophobicContact CG-CG 4.23Å; L52-K57 WeakPolarHBondContact O-CE 3.2Å; L52-K57 PolarHBondContact O-NZ 3.24Å; L52-Y235 HydrophobicContact CB-CE1 4.07Å; L52-Y235 HydrophobicContact CB-CE2 4.34Å; L52-Y235 HydrophobicContact CD1-CD1 3.84Å; L52-Y235 HydrophobicContact CD1-CE1 3.82Å; L52-Y235 HydrophobicContact CD2-CE1 3.71Å; L52-Y235 HydrophobicContact CG-CE1 4.1Å
53	S	92.1	Very high	93.1	Very high	55 Å²	55	49.4 Å²	49.4	39%	0.385	26%	0.26	S	S	.	.			trans	-59.5	150.1	174.8	63.5	0	0	0	0	111.2	E55 L56 K57	S53-E55 VanDerWaalsContact C-N 3.28Å; S53-E55 PolarHBondContact O-N 2.72Å; S53-L56 PolarHBondContact O-N 2.79Å; S53-L56 VanDerWaalsContact OG-CB 3.24Å; S53-L56 WeakPolarHBondContact OG-CB 3.09Å; S53-L56 PolarHBondContact OG-N 3.03Å; S53-K57 WeakPolarHBondContact O-CG 3.13Å; S53-K57 PolarHBondContact O-N 3.49Å
54	E	93	Very high	92.7	Very high	151 Å²	151	49.8 Å²	49.8	71%	0.706	26%	0.264	S	S	*	.	H	α-helix	trans	-62.9	-37.2	177.6	-70.5	-176.6	178	0	0	112	L56 K57 N58	E54-L56 PolarHBondContact O-N 3.19Å; E54-K57 PolarHBondContact O-N 3.43Å; E54-N58 WeakPolarHBondContact O-CB 3.39Å; E54-N58 PolarHBondContact O-N 3.19Å; E54-N58 PolarHBondContact O-ND2 3.19Å
55	E	93.3	Very high	92.6	Very high	130 Å²	130	51.2 Å²	51.2	61%	0.607	27%	0.273	S	S	*	.	H	α-helix	trans	-59.2	-48.8	176.6	-169	-177	157.3	0	0	111.7	S53 N58 L59 H254	S53-E55 VanDerWaalsContact C-N 3.28Å; S53-E55 PolarHBondContact O-N 2.72Å; E55-N58 PolarHBondContact O-N 3.44Å; E55-L59 PolarHBondContact O-N 3.37Å; E55-H254 IonicContact OE1-CE1 3.38Å; E55-H254 PolarHBondContact OE1-CE1 3.08Å; E55-H254 VanDerWaalsContact OE1-CE1 3.27Å; E55-H254 IonicContact OE1-ND1 3.23Å; E55-H254 PolarHBondContact OE1-ND1 3.3Å; E55-H254 IonicContact OE2-CE1 3.36Å; E55-H254 PolarHBondContact OE2-CE1 3.46Å; E55-H254 IonicContact OE2-ND1 3.94Å
56	L	93.1	Very high	92.5	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-67.9	-37.6	178.8	-174	49.4	0	0	0	111.8	F44 I46 L52 S53 E54 N58 L59 V60 L251 L255	F44-L56 HydrophobicContact CE2-CD2 4.15Å; F44-L56 HydrophobicContact CZ-CD1 4.39Å; F44-L56 HydrophobicContact CZ-CD2 4.28Å; F44-L56 HydrophobicContact CZ-CG 4.26Å; I46-L56 HydrophobicContact CD1-CD2 4.16Å; L52-L56 HydrophobicContact CD1-CB 4.49Å; L52-L56 HydrophobicContact CD1-CD2 3.44Å; L52-L56 VanDerWaalsContact CD1-CD2 3.44Å; L52-L56 HydrophobicContact CD1-CG 4.02Å; L52-L56 HydrophobicContact CD2-CB 4.3Å; L52-L56 HydrophobicContact CD2-CD2 4.32Å; L52-L56 HydrophobicContact CD2-CG 3.95Å; L52-L56 HydrophobicContact CG-CB 4.08Å; L52-L56 HydrophobicContact CG-CD2 3.95Å; L52-L56 HydrophobicContact CG-CG 3.98Å; S53-L56 PolarHBondContact O-N 2.79Å; S53-L56 VanDerWaalsContact OG-CB 3.24Å; S53-L56 WeakPolarHBondContact OG-CB 3.09Å; S53-L56 PolarHBondContact OG-N 3.03Å; E54-L56 PolarHBondContact O-N 3.19Å; L56-N58 VanDerWaalsContact C-N 3.35Å; L56-N58 PolarHBondContact O-N 2.94Å; L56-L59 HydrophobicContact CD1-CD2 4.4Å; L56-L59 PolarHBondContact O-N 3.23Å; L56-V60 HydrophobicContact CD1-CG2 4.39Å; L56-V60 VanDerWaalsContact O-CG2 3.26Å; L56-V60 WeakPolarHBondContact O-CG2 3.44Å; L56-V60 PolarHBondContact O-N 2.77Å; L56-L251 HydrophobicContact CD1-CD1 3.38Å; L56-L255 HydrophobicContact CD2-CD2 4.32Å
57	K	93.2	Very high	92.4	Very high	79 Å²	79	56.6 Å²	56.6	34%	0.343	29%	0.294	S	S	.	.	H	α-helix	trans	-58.9	-47	172.5	-73.7	174.6	-175	163.6	0	111.4	L52 S53 E54 L59 V60 M61	L52-K57 HydrophobicContact CB-CG 4.08Å; L52-K57 HydrophobicContact CD2-CG 3.77Å; L52-K57 HydrophobicContact CG-CG 4.23Å; L52-K57 WeakPolarHBondContact O-CE 3.2Å; L52-K57 PolarHBondContact O-NZ 3.24Å; S53-K57 WeakPolarHBondContact O-CG 3.13Å; S53-K57 PolarHBondContact O-N 3.49Å; E54-K57 PolarHBondContact O-N 3.43Å; K57-L59 VanDerWaalsContact C-N 3.31Å; K57-L59 PolarHBondContact O-N 2.98Å; K57-V60 PolarHBondContact O-N 2.8Å; K57-M61 VanDerWaalsContact O-CG 3.3Å; K57-M61 WeakPolarHBondContact O-CG 2.94Å; K57-M61 PolarHBondContact O-N 3.39Å
58	N	93.9	Very high	92.3	Very high	94 Å²	94	59.3 Å²	59.3	50%	0.503	31%	0.306	S	S	.	.	H	α-helix	trans	-63.4	-40.2	178.7	-70	-24	0	0	0	111	E54 E55 L56 M61 N62	E54-N58 WeakPolarHBondContact O-CB 3.39Å; E54-N58 PolarHBondContact O-N 3.19Å; E54-N58 PolarHBondContact O-ND2 3.19Å; E55-N58 PolarHBondContact O-N 3.44Å; L56-N58 VanDerWaalsContact C-N 3.35Å; L56-N58 PolarHBondContact O-N 2.94Å; N58-M61 PolarHBondContact O-N 3.27Å; N58-N62 WeakPolarHBondContact O-CB 3.16Å; N58-N62 VanDerWaalsContact O-CG 3.26Å; N58-N62 PolarHBondContact O-N 2.9Å; N58-N62 VanDerWaalsContact O-N 3.08Å; N58-N62 PolarHBondContact O-ND2 2.88Å
59	L	94.3	Very high	92.4	Very high	34 Å²	34	56.9 Å²	56.9	18%	0.178	30%	0.297	C	S	.	.	H	α-helix	trans	-62.2	-44.3	176.7	-174.7	60.9	0	0	0	112	E55 L56 K57 M61 N62 T63 L250 L251 H254	E55-L59 PolarHBondContact O-N 3.37Å; L56-L59 HydrophobicContact CD1-CD2 4.4Å; L56-L59 PolarHBondContact O-N 3.23Å; K57-L59 VanDerWaalsContact C-N 3.31Å; K57-L59 PolarHBondContact O-N 2.98Å; L59-M61 PolarHBondContact O-N 3.16Å; L59-N62 PolarHBondContact O-N 3.36Å; L59-T63 WeakPolarHBondContact O-CG2 3.38Å; L59-L250 HydrophobicContact CD1-CB 3.98Å; L59-L250 HydrophobicContact CD1-CD1 4.4Å; L59-L250 HydrophobicContact CD2-CB 4.42Å; L59-L251 HydrophobicContact CD2-CB 4.16Å; L59-L251 HydrophobicContact CD2-CD1 4.11Å; L59-H254 HydrophobicContact CD2-CB 4.1Å
60	V	93.6	Very high	92.5	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.012	32%	0.315	C	S	.	.	H	α-helix	trans	-60.8	-44.7	177.4	168	0	0	0	0	111.7	F44 L56 K57 N62 T63 V167 I239	F44-V60 HydrophobicContact CE1-CG2 3.66Å; F44-V60 HydrophobicContact CZ-CG2 3.85Å; L56-V60 HydrophobicContact CD1-CG2 4.39Å; L56-V60 VanDerWaalsContact O-CG2 3.26Å; L56-V60 WeakPolarHBondContact O-CG2 3.44Å; L56-V60 PolarHBondContact O-N 2.77Å; K57-V60 PolarHBondContact O-N 2.8Å; V60-N62 VanDerWaalsContact C-N 3.29Å; V60-N62 PolarHBondContact O-N 3.43Å; V60-T63 WeakPolarHBondContact O-CG2 3.45Å; V60-T63 PolarHBondContact O-OG1 3.46Å; V60-V167 HydrophobicContact CG1-CB 4.35Å; V60-V167 HydrophobicContact CG1-CG1 3.45Å; V60-V167 VanDerWaalsContact CG1-CG1 3.45Å; V60-V167 HydrophobicContact CG1-CG2 3.89Å; V60-I239 HydrophobicContact CB-CD1 4.3Å; V60-I239 HydrophobicContact CG1-CD1 3.87Å; V60-I239 HydrophobicContact CG1-CG1 4.06Å; V60-I239 HydrophobicContact CG2-CD1 4.17Å
61	M	92.6	Very high	93	Very high	99 Å²	99	66.4 Å²	66.4	49%	0.488	33%	0.334	S	S	.	.	H	α-helix	trans	-71.6	-23.1	-178.9	-63.3	-60.5	166.8	0	0	113	K57 N58 L59 V167 L169	K57-M61 VanDerWaalsContact O-CG 3.3Å; K57-M61 WeakPolarHBondContact O-CG 2.94Å; K57-M61 PolarHBondContact O-N 3.39Å; N58-M61 PolarHBondContact O-N 3.27Å; L59-M61 PolarHBondContact O-N 3.16Å; M61-V167 HydrophobicContact CE-CB 4.37Å; M61-V167 HydrophobicContact CE-CG1 3.99Å; M61-V167 HydrophobicContact SD-CB 4.39Å; M61-V167 HydrophobicContact SD-CG2 4.15Å; M61-L169 HydrophobicContact CE-CD1 4.15Å
62	N	93.6	Very high	93.4	Very high	98 Å²	98	61.9 Å²	61.9	52%	0.524	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	31.8	-178.5	-65	-43.2	0	0	0	113.3	N58 L59 V60 K247	N58-N62 WeakPolarHBondContact O-CB 3.16Å; N58-N62 VanDerWaalsContact O-CG 3.26Å; N58-N62 PolarHBondContact O-N 2.9Å; N58-N62 VanDerWaalsContact O-N 3.08Å; N58-N62 PolarHBondContact O-ND2 2.88Å; L59-N62 PolarHBondContact O-N 3.36Å; V60-N62 VanDerWaalsContact C-N 3.29Å; V60-N62 PolarHBondContact O-N 3.43Å; N62-K247 WeakPolarHBondContact O-CE 3.49Å; N62-K247 PolarHBondContact O-NZ 2.85Å
63	T	92.3	Very high	93.7	Very high	10 Å²	10	63.5 Å²	63.5	6%	0.061	32%	0.321	C	S	.	.	S	Bend	trans	-83.8	-20.9	177.1	46.9	0	0	0	0	113.9	L59 V60 I239	L59-T63 WeakPolarHBondContact O-CG2 3.38Å; V60-T63 WeakPolarHBondContact O-CG2 3.45Å; V60-T63 PolarHBondContact O-OG1 3.46Å; T63-I239 HydrophobicContact CG2-CD1 3.87Å
64	G	90	Very high	93.3	Very high	11 Å²	11	64.3 Å²	64.3	11%	0.113	32%	0.321	C	S	.	.			trans	-97.9	-160.7	173.1	0	0	0	0	0	113.4
65	P	94.8	Very high	93.1	Very high	30 Å²	30	62.3 Å²	62.3	20%	0.195	31%	0.312	C	S	.	.			cis	-75.8	173.2	-4.8	31.3	-33.1	0	0	0	113	Y67 E148 E162 H163	P65-Y67 HydrophobicContact CG-CE2 4.17Å; P65-E148 WeakPolarHBondContact CD-OE1 3.45Å; P65-E162 HydrophobicContact CB-CG 3.62Å; P65-E162 HydrophobicContact CG-CG 4.3Å; P65-H163 WeakPolarHBondContact CA-O 3.31Å
66	Y	95.4	Very high	92.9	Very high	61 Å²	61	58 Å²	58	24%	0.239	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	161.5	160.8	65.3	-86	0	0	0	110.1	H163 P165 F242	Y66-H163 HydrophobicContact CD1-CB 4.29Å; Y66-H163 HydrophobicContact CD2-CB 4Å; Y66-H163 HydrophobicContact CE1-CB 3.8Å; Y66-H163 HydrophobicContact CE2-CB 3.49Å; Y66-H163 VanDerWaalsContact CE2-CB 3.49Å; Y66-H163 HydrophobicContact CG-CB 4.37Å; Y66-H163 PolarHBondContact N-O 2.94Å; Y66-H163 PolarHBondContact O-N 3.13Å; Y66-P165 HydrophobicContact CD1-CG 4.27Å; Y66-P165 HydrophobicContact CE1-CG 4.37Å; Y66-F242 HydrophobicContact CD1-CB 4.24Å; Y66-F242 HydrophobicContact CD2-CB 3.95Å; Y66-F242 HydrophobicContact CG-CB 3.73Å
67	Y	95.6	Very high	92.7	Very high	52 Å²	52	58.7 Å²	58.7	20%	0.204	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	147	-173.6	-60.8	-93.2	0	0	0	111.3	P65 M151 M152 I160 Q161 E162	P65-Y67 HydrophobicContact CG-CE2 4.17Å; Y67-M151 HydrophobicContact CD2-CE 2.99Å; Y67-M151 HydrophobicContact CE2-CE 3.54Å; Y67-M151 HydrophobicContact CG-CE 3.66Å; Y67-M152 HydrophobicContact CD1-CG 4.33Å; Y67-M152 HydrophobicContact CD1-SD 3.74Å; Y67-M152 HydrophobicContact CE1-CG 3.68Å; Y67-M152 HydrophobicContact CE1-SD 3.62Å; Y67-I160 HydrophobicContact CD1-CD1 3.92Å; Y67-I160 HydrophobicContact CD1-CG1 4.12Å; Y67-I160 HydrophobicContact CG-CD1 4.31Å; Y67-Q161 CarbonylContact C-O 3.59Å; Y67-Q161 WeakPolarHBondContact CA-O 3.26Å; Y67-E162 HydrophobicContact CD1-CB 4Å; Y67-E162 HydrophobicContact CD1-CG 4.18Å; Y67-E162 HydrophobicContact CE1-CB 3.75Å; Y67-E162 HydrophobicContact CE1-CG 3.66Å; Y67-E162 PolarHBondContact OH-OE2 3.05Å
68	F	95.7	Very high	92.3	Very high	58 Å²	58	60 Å²	60	25%	0.254	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.4	176	-179.8	-104.7	0	0	0	109.5	K70 Y97 I160 Q161	F68-K70 HydrophobicContact CD1-CG 4.18Å; F68-K70 HydrophobicContact CE1-CD 4.22Å; F68-K70 HydrophobicContact CE1-CG 3.44Å; F68-K70 VanDerWaalsContact CE1-CG 3.44Å; F68-K70 HydrophobicContact CZ-CG 4.12Å; F68-Y97 HydrophobicContact CD2-CD1 4.46Å; F68-Y97 AromaticContact CE2-CD1 3.55Å; F68-Y97 HydrophobicContact CE2-CD1 3.55Å; F68-Y97 HydrophobicContact CE2-CE1 4.35Å; F68-Y97 AromaticContact CE2-CG 3.9Å; F68-Y97 HydrophobicContact CE2-CG 3.9Å; F68-Y97 HydrophobicContact CZ-CD1 4.1Å; F68-I160 CarbonylContact O-C 3.59Å; F68-I160 WeakPolarHBondContact O-CA 3.36Å; F68-Q161 PolarHBondContact N-O 2.89Å; F68-Q161 PolarHBondContact O-N 2.94Å
69	V	95.5	Very high	92.1	Very high	33 Å²	33	56.8 Å²	56.8	20%	0.2	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.6	-179.8	-170.6	0	0	0	0	108.8	L72 F155 Y158 I160	V69-L72 HydrophobicContact CB-CB 4.32Å; V69-L72 HydrophobicContact CG1-CB 3.94Å; V69-L72 HydrophobicContact CG1-CD1 4.24Å; V69-L72 HydrophobicContact CG1-CG 4.49Å; V69-F155 HydrophobicContact CG2-CB 4.49Å; V69-F155 HydrophobicContact CG2-CG 4.47Å; V69-Y158 HydrophobicContact CG1-CG 4.23Å; V69-I160 HydrophobicContact CG2-CB 4.1Å; V69-I160 HydrophobicContact CG2-CD1 3.94Å; V69-I160 HydrophobicContact CG2-CG1 3.88Å
70	K	94.2	Very high	91.7	Very high	98 Å²	98	59.5 Å²	59.5	43%	0.426	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	137.7	176.6	-66.8	-175.4	177.1	-175.6	0	111.1	F68 L72 Q159	F68-K70 HydrophobicContact CD1-CG 4.18Å; F68-K70 HydrophobicContact CE1-CD 4.22Å; F68-K70 HydrophobicContact CE1-CG 3.44Å; F68-K70 VanDerWaalsContact CE1-CG 3.44Å; F68-K70 HydrophobicContact CZ-CG 4.12Å; K70-L72 VanDerWaalsContact C-N 3.28Å; K70-L72 PolarHBondContact O-N 3.34Å; K70-Q159 HydrophobicContact CB-CB 4.41Å; K70-Q159 PolarHBondContact N-O 3.34Å
71	N	93.3	Very high	91.5	Very high	149 Å²	149	64.7 Å²	64.7	80%	0.797	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	40	171.7	-55.7	-33	0	0	0	113.8	P73	N71-P73 WeakPolarHBondContact O-CD 3.47Å
72	L	94.3	Very high	91.4	Very high	49 Å²	49	60 Å²	60	26%	0.257	31%	0.31	S	S	.	.			trans	-74.5	119.2	177.1	-177.7	68.5	0	0	0	110.2	V69 K70 E76 L77 F155 Y158	V69-L72 HydrophobicContact CB-CB 4.32Å; V69-L72 HydrophobicContact CG1-CB 3.94Å; V69-L72 HydrophobicContact CG1-CD1 4.24Å; V69-L72 HydrophobicContact CG1-CG 4.49Å; K70-L72 VanDerWaalsContact C-N 3.28Å; K70-L72 PolarHBondContact O-N 3.34Å; L72-E76 HydrophobicContact CD1-CB 4.16Å; L72-E76 HydrophobicContact CD1-CG 4.27Å; L72-L77 HydrophobicContact CD2-CD2 3.96Å; L72-L77 HydrophobicContact CD2-CG 4.38Å; L72-F155 HydrophobicContact CD1-CD1 3.62Å; L72-F155 HydrophobicContact CD1-CE1 3.52Å; L72-F155 HydrophobicContact CD2-CD1 4.5Å; L72-F155 HydrophobicContact CD2-CE1 3.93Å; L72-F155 HydrophobicContact CD2-CZ 4.26Å; L72-F155 HydrophobicContact CG-CE1 4.39Å; L72-Y158 HydrophobicContact CD1-CD1 4.46Å; L72-Y158 HydrophobicContact CD1-CD2 3.94Å; L72-Y158 HydrophobicContact CD1-CE1 4.43Å; L72-Y158 HydrophobicContact CD1-CE2 3.89Å; L72-Y158 HydrophobicContact CD1-CG 4.24Å
73	P	93.4	Very high	91	Very high	39 Å²	39	58 Å²	58	25%	0.253	30%	0.298	S	S	.	.			trans	-76.9	145	178.2	31.1	-33.7	0	0	0	111.7	N71 H75 E76 Y158	N71-P73 WeakPolarHBondContact O-CD 3.47Å; P73-H75 WeakPolarHBondContact CG-NE2 3.46Å; P73-H75 PolarHBondContact O-N 2.84Å; P73-E76 HydrophobicContact CG-CG 3.85Å; P73-E76 PolarHBondContact O-N 3.45Å; P73-Y158 VanDerWaalsContact CD-CE1 3.44Å; P73-Y158 HydrophobicContact CG-CE1 4.2Å; P73-Y158 WeakPolarHBondContact CG-OH 3.5Å
74	L	85.6	Confident	90.8	Very high	72 Å²	72	59.9 Å²	59.9	38%	0.377	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-63.2	-26.9	-174.3	-63.8	-178.3	0	0	0	114.2	E76 L77 V107 L117	L74-E76 PolarHBondContact O-N 2.66Å; L74-L77 HydrophobicContact CD2-CD1 4.46Å; L74-L77 PolarHBondContact O-N 3.06Å; L74-V107 HydrophobicContact CD1-CG2 4.02Å; L74-V107 HydrophobicContact CD2-CB 4.18Å; L74-V107 HydrophobicContact CD2-CG1 3.92Å; L74-V107 HydrophobicContact CD2-CG2 3.96Å; L74-L117 HydrophobicContact CD1-CD2 3.83Å
75	H	87.6	Confident	90.7	Very high	110 Å²	110	60.8 Å²	60.8	51%	0.509	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-64.5	-23.7	179.9	69	74.2	0	0	0	112.8	P73 L77 I78 T79	P73-H75 WeakPolarHBondContact CG-NE2 3.46Å; P73-H75 PolarHBondContact O-N 2.84Å; H75-L77 VanDerWaalsContact C-N 3.33Å; H75-I78 WeakPolarHBondContact O-CG1 3.38Å; H75-I78 PolarHBondContact O-N 3.34Å; H75-T79 WeakPolarHBondContact O-CG2 3.47Å
76	E	90.2	Very high	90.3	Very high	38 Å²	38	60.2 Å²	60.2	18%	0.178	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-66.7	-35.9	176.9	-68.1	-72.5	-178.1	0	0	111.7	L72 P73 L74 I78 T79 F82 Y158	L72-E76 HydrophobicContact CD1-CB 4.16Å; L72-E76 HydrophobicContact CD1-CG 4.27Å; P73-E76 HydrophobicContact CG-CG 3.85Å; P73-E76 PolarHBondContact O-N 3.45Å; L74-E76 PolarHBondContact O-N 2.66Å; E76-I78 PolarHBondContact O-N 2.93Å; E76-T79 PolarHBondContact O-N 2.94Å; E76-T79 PolarHBondContact O-OG1 3.13Å; E76-F82 WeakPolarHBondContact O-CB 3.38Å; E76-Y158 HydrophobicContact CG-CE2 4.16Å; E76-Y158 WeakPolarHBondContact CG-OH 3.05Å; E76-Y158 PolarHBondContact OE1-OH 3Å
77	L	87.6	Confident	89.8	Confident	17 Å²	17	58.8 Å²	58.8	9%	0.089	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-73.7	-9.6	-178	-60.2	179.5	0	0	0	113.6	L72 L74 H75 F82 L115 F155	L72-L77 HydrophobicContact CD2-CD2 3.96Å; L72-L77 HydrophobicContact CD2-CG 4.38Å; L74-L77 HydrophobicContact CD2-CD1 4.46Å; L74-L77 PolarHBondContact O-N 3.06Å; H75-L77 VanDerWaalsContact C-N 3.33Å; L77-F82 HydrophobicContact CB-CE1 4.36Å; L77-F82 HydrophobicContact CD2-CD2 4.43Å; L77-F82 HydrophobicContact CD2-CE1 4.03Å; L77-F82 HydrophobicContact CD2-CE2 3.88Å; L77-F82 HydrophobicContact CD2-CZ 3.64Å; L77-F82 WeakPolarHBondContact O-CD1 3.28Å; L77-L115 HydrophobicContact CD1-CD1 4.32Å; L77-F155 HydrophobicContact CD2-CZ 4.37Å
78	I	86.1	Confident	89.3	Confident	105 Å²	105	63.3 Å²	63.3	54%	0.538	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-113.5	3.1	179.9	62.7	170.2	0	0	0	112.9	H75 E76 L115	H75-I78 WeakPolarHBondContact O-CG1 3.38Å; H75-I78 PolarHBondContact O-N 3.34Å; E76-I78 PolarHBondContact O-N 2.93Å; I78-L115 HydrophobicContact CG2-CD2 4.04Å
79	T	89.8	Confident	88.9	Confident	27 Å²	27	66 Å²	66	17%	0.166	34%	0.338	C	S	.	.	S	Bend	trans	-65.2	144.2	176.8	61.7	0	0	0	0	110.9	H75 E76 E81 F82 I83 Y154	H75-T79 WeakPolarHBondContact O-CG2 3.47Å; E76-T79 PolarHBondContact O-N 2.94Å; E76-T79 PolarHBondContact O-OG1 3.13Å; T79-E81 PolarHBondContact O-N 3.47Å; T79-F82 PolarHBondContact O-N 3.14Å; T79-F82 VanDerWaalsContact O-N 3.14Å; T79-F82 VanDerWaalsContact OG1-CB 3.26Å; T79-F82 WeakPolarHBondContact OG1-CB 3.09Å; T79-F82 PolarHBondContact OG1-N 3.18Å; T79-F82 VanDerWaalsContact OG1-N 3.08Å; T79-I83 VanDerWaalsContact O-CG1 3.32Å; T79-I83 WeakPolarHBondContact O-CG1 3.35Å; T79-I83 PolarHBondContact O-N 2.77Å; T79-Y154 PolarHBondContact OG1-OH 2.83Å
80	P	85.9	Confident	88.3	Confident	92 Å²	92	64.6 Å²	64.6	60%	0.597	33%	0.33	S	S	*	.	H	α-helix	trans	-53.9	-34.3	173.2	-26.2	35.1	0	0	0	112.8	S84	P80-S84 VanDerWaalsContact O-CB 3.23Å; P80-S84 WeakPolarHBondContact O-CB 3.34Å; P80-S84 PolarHBondContact O-N 3.24Å; P80-S84 PolarHBondContact O-OG 3.28Å
81	E	89.2	Confident	87.9	Confident	110 Å²	110	61.9 Å²	61.9	51%	0.514	32%	0.323	S	S	.	.	H	α-helix	trans	-63.3	-50.6	176.4	-65.9	71.1	-156.2	0	0	111.2	T79 I83 S84 T85 Y154	T79-E81 PolarHBondContact O-N 3.47Å; E81-I83 PolarHBondContact O-N 2.89Å; E81-S84 PolarHBondContact O-N 2.86Å; E81-S84 PolarHBondContact O-OG 3.26Å; E81-S84 VanDerWaalsContact O-OG 3.09Å; E81-T85 WeakPolarHBondContact O-CB 3.45Å; E81-T85 PolarHBondContact O-N 3.14Å; E81-T85 PolarHBondContact O-OG1 3.39Å; E81-Y154 HydrophobicContact CB-CE2 4.14Å
82	F	89.1	Confident	87.7	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.009	29%	0.291	C	S	.	.	H	α-helix	trans	-60.2	-48.1	176.8	-178.4	-99.3	0	0	0	111.2	E76 L77 T79 S84 T85 F86 I87 L109 Y154 F155	E76-F82 WeakPolarHBondContact O-CB 3.38Å; L77-F82 HydrophobicContact CB-CE1 4.36Å; L77-F82 HydrophobicContact CD2-CD2 4.43Å; L77-F82 HydrophobicContact CD2-CE1 4.03Å; L77-F82 HydrophobicContact CD2-CE2 3.88Å; L77-F82 HydrophobicContact CD2-CZ 3.64Å; L77-F82 WeakPolarHBondContact O-CD1 3.28Å; T79-F82 PolarHBondContact O-N 3.14Å; T79-F82 VanDerWaalsContact O-N 3.14Å; T79-F82 VanDerWaalsContact OG1-CB 3.26Å; T79-F82 WeakPolarHBondContact OG1-CB 3.09Å; T79-F82 PolarHBondContact OG1-N 3.18Å; T79-F82 VanDerWaalsContact OG1-N 3.08Å; F82-S84 PolarHBondContact O-N 3.1Å; F82-T85 PolarHBondContact O-N 3.5Å; F82-F86 AromaticContact CD2-CD2 3.46Å; F82-F86 HydrophobicContact CD2-CD2 3.46Å; F82-F86 VanDerWaalsContact CD2-CD2 3.46Å; F82-F86 AromaticContact CD2-CE2 3.92Å; F82-F86 HydrophobicContact CD2-CE2 3.92Å; F82-F86 HydrophobicContact CD2-CG 4.48Å; F82-F86 HydrophobicContact CE2-CB 4.43Å; F82-F86 AromaticContact CE2-CD2 3.55Å; F82-F86 HydrophobicContact CE2-CD2 3.55Å; F82-F86 HydrophobicContact CE2-CE2 4.12Å; F82-F86 HydrophobicContact CE2-CG 4.23Å; F82-F86 HydrophobicContact CG-CD2 4.2Å; F82-F86 HydrophobicContact CZ-CB 4.49Å; F82-F86 HydrophobicContact CZ-CD2 4.38Å; F82-F86 PolarHBondContact O-N 3.3Å; F82-I87 HydrophobicContact CD1-CD1 4.05Å; F82-I87 HydrophobicContact CD1-CG1 4.25Å; F82-I87 HydrophobicContact CE1-CD1 3.87Å; F82-I87 HydrophobicContact CE1-CG1 3.98Å; F82-L109 HydrophobicContact CE1-CD2 3.9Å; F82-L109 HydrophobicContact CZ-CD2 4.01Å; F82-Y154 WeakPolarHBondContact CA-OH 3.45Å; F82-Y154 HydrophobicContact CB-CE1 4.27Å; F82-Y154 WeakPolarHBondContact CB-OH 3.34Å; F82-Y154 HydrophobicContact CD2-CD1 4.42Å; F82-Y154 AromaticContact CD2-CE1 3.86Å; F82-Y154 HydrophobicContact CD2-CE1 3.86Å; F82-Y154 PolarHBondContact N-OH 3.44Å; F82-Y154 VanDerWaalsContact N-OH 3.13Å; F82-F155 AromaticContact CD2-CZ 3.96Å; F82-F155 HydrophobicContact CD2-CZ 3.96Å; F82-F155 HydrophobicContact CE2-CE2 4.17Å; F82-F155 AromaticContact CE2-CZ 3.7Å; F82-F155 HydrophobicContact CE2-CZ 3.7Å
83	I	86.7	Confident	87.6	Confident	54 Å²	54	54.6 Å²	54.6	28%	0.277	28%	0.284	S	S	.	.	I	π-helix	trans	-61.6	-46.5	-178	-63.9	167.9	0	0	0	110.9	T79 E81 T85 I87 K88	T79-I83 VanDerWaalsContact O-CG1 3.32Å; T79-I83 WeakPolarHBondContact O-CG1 3.35Å; T79-I83 PolarHBondContact O-N 2.77Å; E81-I83 PolarHBondContact O-N 2.89Å; I83-T85 VanDerWaalsContact C-N 3.3Å; I83-T85 PolarHBondContact O-N 3Å; I83-I87 HydrophobicContact CG1-CD1 4.04Å; I83-I87 HydrophobicContact CG2-CB 4.3Å; I83-I87 WeakPolarHBondContact O-CB 3.26Å; I83-I87 PolarHBondContact O-N 3.02Å; I83-I87 VanDerWaalsContact O-N 3.09Å; I83-K88 HydrophobicContact CG2-CD 4.45Å; I83-K88 HydrophobicContact CG2-CG 4.14Å; I83-K88 PolarHBondContact O-N 2.8Å
84	S	87.9	Confident	87.5	Confident	50 Å²	50	54.3 Å²	54.3	35%	0.35	29%	0.285	S	S	.	.	I	π-helix	trans	-70.6	-26.8	-179.4	60.9	0	0	0	0	113.4	P80 E81 F82 K89	P80-S84 VanDerWaalsContact O-CB 3.23Å; P80-S84 WeakPolarHBondContact O-CB 3.34Å; P80-S84 PolarHBondContact O-N 3.24Å; P80-S84 PolarHBondContact O-OG 3.28Å; E81-S84 PolarHBondContact O-N 2.86Å; E81-S84 PolarHBondContact O-OG 3.26Å; E81-S84 VanDerWaalsContact O-OG 3.09Å; F82-S84 PolarHBondContact O-N 3.1Å; S84-K89 VanDerWaalsContact O-CE 3.31Å; S84-K89 WeakPolarHBondContact O-CE 3.38Å; S84-K89 WeakPolarHBondContact O-CG 3.32Å
85	T	87.1	Confident	87.8	Confident	30 Å²	30	52.7 Å²	52.7	18%	0.184	28%	0.276	C	S	.	.	I	π-helix	trans	-83.8	-49.3	-177.9	-57.8	0	0	0	0	111.7	E81 F82 I83 T150	E81-T85 WeakPolarHBondContact O-CB 3.45Å; E81-T85 PolarHBondContact O-N 3.14Å; E81-T85 PolarHBondContact O-OG1 3.39Å; F82-T85 PolarHBondContact O-N 3.5Å; I83-T85 VanDerWaalsContact C-N 3.3Å; I83-T85 PolarHBondContact O-N 3Å; T85-T150 HydrophobicContact CG2-CG2 3.37Å
86	F	86.7	Confident	88	Confident	18 Å²	18	49.5 Å²	49.5	8%	0.079	27%	0.265	C	S	.	.	I	π-helix	trans	-110.6	-36.1	-171	-57.9	-75	0	0	0	114.2	F82 K89 G90 C92 T150 M151 Y154	F82-F86 AromaticContact CD2-CD2 3.46Å; F82-F86 HydrophobicContact CD2-CD2 3.46Å; F82-F86 VanDerWaalsContact CD2-CD2 3.46Å; F82-F86 AromaticContact CD2-CE2 3.92Å; F82-F86 HydrophobicContact CD2-CE2 3.92Å; F82-F86 HydrophobicContact CD2-CG 4.48Å; F82-F86 HydrophobicContact CE2-CB 4.43Å; F82-F86 AromaticContact CE2-CD2 3.55Å; F82-F86 HydrophobicContact CE2-CD2 3.55Å; F82-F86 HydrophobicContact CE2-CE2 4.12Å; F82-F86 HydrophobicContact CE2-CG 4.23Å; F82-F86 HydrophobicContact CG-CD2 4.2Å; F82-F86 HydrophobicContact CZ-CB 4.49Å; F82-F86 HydrophobicContact CZ-CD2 4.38Å; F82-F86 PolarHBondContact O-N 3.3Å; F86-K89 CarbonylContact O-C 3.54Å; F86-G90 CarbonylContact O-C 3.51Å; F86-G90 WeakPolarHBondContact O-CA 3.37Å; F86-G90 PolarHBondContact O-N 3.08Å; F86-C92 HydrophobicContact CB-CB 4.14Å; F86-T150 HydrophobicContact CE1-CG2 4.26Å; F86-T150 HydrophobicContact CZ-CG2 3.99Å; F86-M151 HydrophobicContact CE1-CB 4.21Å; F86-M151 HydrophobicContact CE1-CG 4.44Å; F86-M151 HydrophobicContact CE1-SD 4.4Å; F86-M151 HydrophobicContact CZ-CB 4.44Å; F86-Y154 AromaticContact CE2-CD1 3.91Å; F86-Y154 HydrophobicContact CE2-CD1 3.91Å; F86-Y154 AromaticContact CE2-CD2 3.87Å; F86-Y154 HydrophobicContact CE2-CD2 3.87Å; F86-Y154 HydrophobicContact CE2-CE1 4.42Å; F86-Y154 HydrophobicContact CE2-CE2 4.39Å; F86-Y154 AromaticContact CE2-CG 3.63Å; F86-Y154 HydrophobicContact CE2-CG 3.63Å; F86-Y154 HydrophobicContact CZ-CD2 4.43Å; F86-Y154 HydrophobicContact CZ-CG 4.04Å
87	I	84.6	Confident	88.1	Confident	31 Å²	31	55.7 Å²	55.7	16%	0.159	29%	0.287	C	S	.	.	I	π-helix	trans	-86.2	-45.9	-173.3	-54.8	-175.3	0	0	0	111.7	F82 I83 K89 G90 L109	F82-I87 HydrophobicContact CD1-CD1 4.05Å; F82-I87 HydrophobicContact CD1-CG1 4.25Å; F82-I87 HydrophobicContact CE1-CD1 3.87Å; F82-I87 HydrophobicContact CE1-CG1 3.98Å; I83-I87 HydrophobicContact CG1-CD1 4.04Å; I83-I87 HydrophobicContact CG2-CB 4.3Å; I83-I87 WeakPolarHBondContact O-CB 3.26Å; I83-I87 PolarHBondContact O-N 3.02Å; I83-I87 VanDerWaalsContact O-N 3.09Å; I87-K89 PolarHBondContact O-N 3.14Å; I87-G90 PolarHBondContact O-N 3.17Å; I87-L109 HydrophobicContact CD1-CD1 4.45Å
88	K	85.3	Confident	88.2	Confident	147 Å²	147	60.3 Å²	60.3	64%	0.639	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-25.6	-179.4	-73.6	-175.7	178.1	176.2	0	112.9	I83	I83-K88 HydrophobicContact CG2-CD 4.45Å; I83-K88 HydrophobicContact CG2-CG 4.14Å; I83-K88 PolarHBondContact O-N 2.8Å
89	K	86.1	Confident	88	Confident	116 Å²	116	56.6 Å²	56.6	50%	0.504	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	43.6	176.9	-48	173	-175.4	172.8	0	107.7	S84 F86 I87 S145 S146	S84-K89 VanDerWaalsContact O-CE 3.31Å; S84-K89 WeakPolarHBondContact O-CE 3.38Å; S84-K89 WeakPolarHBondContact O-CG 3.32Å; F86-K89 CarbonylContact O-C 3.54Å; I87-K89 PolarHBondContact O-N 3.14Å; K89-S145 CarbonylContact C-O 3.56Å; K89-S145 CarbonylContact O-C 3.53Å; K89-S146 VanDerWaalsContact C-N 3.26Å; K89-S146 WeakPolarHBondContact CB-OG 3.42Å; K89-S146 CarbonylContact O-C 3.57Å; K89-S146 WeakPolarHBondContact O-CA 3.4Å; K89-S146 WeakPolarHBondContact O-CB 3.42Å; K89-S146 PolarHBondContact O-N 3.49Å; K89-S146 PolarHBondContact O-OG 3.03Å
90	G	83.1	Confident	87.5	Confident	2 Å²	2	58.3 Å²	58.3	2%	0.021	30%	0.301	C	S	.	.	S	Bend	trans	169.7	148.5	-170.2	0	0	0	0	0	117.6	F86 I87 F144 S146	F86-G90 CarbonylContact O-C 3.51Å; F86-G90 WeakPolarHBondContact O-CA 3.37Å; F86-G90 PolarHBondContact O-N 3.08Å; I87-G90 PolarHBondContact O-N 3.17Å; G90-F144 CarbonylContact C-O 3.59Å; G90-F144 WeakPolarHBondContact CA-O 3.38Å; G90-F144 PolarHBondContact N-O 2.95Å; G90-F144 VanDerWaalsContact N-O 3.1Å; G90-S146 VanDerWaalsContact CA-N 3.27Å
91	S	86.8	Confident	86.9	Confident	42 Å²	42	54.8 Å²	54.8	29%	0.294	28%	0.276	S	S	.	.			trans	-86.9	99.8	156.7	-65.3	0	0	0	0	107.1	F144	S91-F144 PolarHBondContact N-O 3.1Å
92	C	89.6	Confident	86	Confident	18 Å²	18	53.6 Å²	53.6	12%	0.122	27%	0.274	C	S	.	.			trans	-95.3	136	172.1	-169.4	0	0	0	0	109.5	F86 L109 L110	F86-C92 HydrophobicContact CB-CB 4.14Å; C92-L109 HydrophobicContact CB-CD2 4.09Å; C92-L110 CarbonylContact O-C 3.52Å
93	Y	91.6	Very high	85.3	Confident	27 Å²	27	60.7 Å²	60.7	11%	0.106	31%	0.307	C	S	.	.			trans	-121.7	136.7	178.9	-62.4	-97	0	0	0	108.7	Y37 L109 P111 L244 P245 E246	Y37-Y93 HydrophobicContact CD1-CE1 4.31Å; Y93-L109 WeakPolarHBondContact CA-O 3.42Å; Y93-P111 HydrophobicContact CD1-CB 4.47Å; Y93-P111 HydrophobicContact CD1-CG 4.41Å; Y93-P111 HydrophobicContact CE1-CB 3.76Å; Y93-P111 HydrophobicContact CE1-CG 3.56Å; Y93-P111 HydrophobicContact CE2-CB 4.11Å; Y93-L244 HydrophobicContact CD2-CD2 3.54Å; Y93-L244 HydrophobicContact CE2-CD2 3.82Å; Y93-L244 HydrophobicContact CG-CD2 4.09Å; Y93-P245 HydrophobicContact CE1-CG 4.33Å; Y93-E246 PolarHBondContact OH-OE1 3.38Å; Y93-E246 PolarHBondContact OH-OE2 3.02Å
94	A	91.9	Very high	85	Confident	32 Å²	32	61.3 Å²	61.3	26%	0.264	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	145.4	171.5	0	0	0	0	0	109.8	Y38 A108 L109	Y38-A94 PolarHBondContact OH-O 2.81Å; A94-A108 CarbonylContact O-C 3.54Å; A94-A108 WeakPolarHBondContact O-CA 3.44Å; A94-L109 HydrophobicContact CB-CB 3.69Å; A94-L109 HydrophobicContact CB-CD2 4.38Å; A94-L109 PolarHBondContact N-O 3.27Å; A94-L109 PolarHBondContact O-N 2.77Å
95	L	91.8	Very high	84.6	Confident	38 Å²	38	61.3 Å²	61.3	20%	0.199	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	134.8	175.1	-175.8	62.6	0	0	0	107.8	Y38 V107 A108 F242 F275	Y38-L95 HydrophobicContact CD1-CB 4.23Å; Y38-L95 HydrophobicContact CD1-CD2 4.25Å; Y38-L95 HydrophobicContact CE1-CB 4.12Å; Y38-L95 HydrophobicContact CG-CD2 4.22Å; L95-V107 WeakPolarHBondContact CA-O 3.47Å; L95-A108 HydrophobicContact CD1-CB 4.06Å; L95-F242 HydrophobicContact CB-CE2 4.2Å; L95-F275 HydrophobicContact CD2-CB 4.17Å; L95-F275 HydrophobicContact CD2-CD1 4.38Å; L95-F275 HydrophobicContact CD2-CD2 4.1Å; L95-F275 HydrophobicContact CD2-CG 3.95Å
96	T	90.4	Very high	84.4	Confident	44 Å²	44	59.9 Å²	59.9	27%	0.27	30%	0.298	S	S	.	.			trans	-62.9	140.3	170.9	47.5	0	0	0	0	109.8	T99 T106 V107	T96-T99 VanDerWaalsContact CB-OG1 3.3Å; T96-T99 WeakPolarHBondContact CB-OG1 3.31Å; T96-T99 PolarHBondContact OG1-OG1 2.78Å; T96-T106 WeakPolarHBondContact OG1-CA 3.23Å; T96-T106 VanDerWaalsContact OG1-CG2 3.27Å; T96-T106 WeakPolarHBondContact OG1-CG2 3.42Å; T96-V107 HydrophobicContact CG2-CB 3.8Å; T96-V107 HydrophobicContact CG2-CG2 4.38Å; T96-V107 PolarHBondContact N-O 3.41Å; T96-V107 PolarHBondContact OG1-N 3.21Å; T96-V107 PolarHBondContact OG1-O 3.49Å
97	Y	92.9	Very high	84.3	Confident	167 Å²	167	59.6 Å²	59.6	66%	0.655	30%	0.298	S	S	*	.	S	Bend	trans	-106.3	133.6	-175.2	175.4	-104.3	0	0	0	110.2	F68 T99	F68-Y97 HydrophobicContact CD2-CD1 4.46Å; F68-Y97 AromaticContact CE2-CD1 3.55Å; F68-Y97 HydrophobicContact CE2-CD1 3.55Å; F68-Y97 HydrophobicContact CE2-CE1 4.35Å; F68-Y97 AromaticContact CE2-CG 3.9Å; F68-Y97 HydrophobicContact CE2-CG 3.9Å; F68-Y97 HydrophobicContact CZ-CD1 4.1Å; Y97-T99 VanDerWaalsContact C-N 3.31Å; Y97-T99 PolarHBondContact O-N 2.78Å
98	N	89.6	Confident	84.3	Confident	114 Å²	114	58.1 Å²	58.1	61%	0.61	29%	0.29	S	S	*	.	S	Bend	trans	57.6	43.3	179	-163.4	77.8	0	0	0	112.7
99	T	82.3	Confident	84.3	Confident	28 Å²	28	51.3 Å²	51.3	17%	0.172	26%	0.261	C	S	.	.			trans	-121.9	111.7	171.3	54	0	0	0	0	107.1	T96 Y97 D104 D277	T96-T99 VanDerWaalsContact CB-OG1 3.3Å; T96-T99 WeakPolarHBondContact CB-OG1 3.31Å; T96-T99 PolarHBondContact OG1-OG1 2.78Å; Y97-T99 VanDerWaalsContact C-N 3.31Å; Y97-T99 PolarHBondContact O-N 2.78Å; T99-D104 WeakPolarHBondContact CA-OD2 3.48Å; T99-D277 WeakPolarHBondContact O-CB 3.36Å
100	H	79.5	Confident	84.2	Confident	63 Å²	63	45.9 Å²	45.9	29%	0.292	24%	0.237	S	C	.	.			trans	-77.8	127.7	-175.8	-71.4	-59.6	0	0	0	110.4	D102 E103 D104 D277	H100-D102 PolarHBondContact O-N 2.96Å; H100-D102 VanDerWaalsContact O-N 3.1Å; H100-E103 HydrophobicContact CB-CB 4.07Å; H100-E103 HydrophobicContact CB-CG 4.22Å; H100-E103 IonicContact CD2-OE2 3.36Å; H100-E103 PolarHBondContact O-N 2.82Å; H100-D104 PolarHBondContact N-OD2 2.89Å; H100-D104 PolarHBondContact O-N 3.3Å; H100-D277 IonicContact CE1-OD1 3.96Å; H100-D277 IonicContact CG-OD1 2.98Å; H100-D277 IonicContact ND1-OD1 3.76Å; H100-D277 PolarHBondContact ND1-OD1 3.32Å; H100-D277 IonicContact ND1-OD2 3.93Å
101	I	73.6	Confident	84.1	Confident	17 Å²	17	46 Å²	46	9%	0.087	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-28.2	-170.7	-171.9	154.7	0	0	0	115.2	P279 H287 F289	I101-P279 HydrophobicContact CD1-CB 4.09Å; I101-P279 HydrophobicContact CD1-CG 4.25Å; I101-H287 WeakPolarHBondContact CD1-O 3.28Å; I101-F289 HydrophobicContact CG2-CB 3.42Å; I101-F289 VanDerWaalsContact CG2-CB 3.42Å
102	D	70.2	Confident	83.7	Confident	86 Å²	86	45.4 Å²	45.4	46%	0.46	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-8.8	179.7	-71.4	-33.5	0	0	0	113	H100 F289 R290	H100-D102 PolarHBondContact O-N 2.96Å; H100-D102 VanDerWaalsContact O-N 3.1Å; D102-F289 WeakPolarHBondContact OD2-CA 3.5Å; D102-F289 WeakPolarHBondContact OD2-CB 3.35Å; D102-F289 PolarHBondContact OD2-N 3.33Å; D102-R290 WeakPolarHBondContact OD2-CA 3.32Å; D102-R290 PolarHBondContact OD2-N 3.48Å
103	E	74.1	Confident	83.1	Confident	150 Å²	150	46 Å²	46	70%	0.701	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.5	-35.8	-174.2	-56.1	-174.3	168.4	0	0	112.8	H100	H100-E103 HydrophobicContact CB-CB 4.07Å; H100-E103 HydrophobicContact CB-CG 4.22Å; H100-E103 IonicContact CD2-OE2 3.36Å; H100-E103 PolarHBondContact O-N 2.82Å
104	D	80.2	Confident	82.5	Confident	68 Å²	68	48.5 Å²	48.5	36%	0.364	25%	0.252	S	S	.	.	S	Bend	trans	-123.6	159.4	-170.5	-57.6	-53.2	0	0	0	112.5	T99 H100 T106	T99-D104 WeakPolarHBondContact CA-OD2 3.48Å; H100-D104 PolarHBondContact N-OD2 2.89Å; H100-D104 PolarHBondContact O-N 3.3Å; D104-T106 PolarHBondContact O-N 2.77Å; D104-T106 PolarHBondContact O-OG1 2.87Å
105	N	79.3	Confident	82	Confident	50 Å²	50	49.3 Å²	49.3	27%	0.267	25%	0.251	S	S	.	.			trans	-63.8	124.4	166.3	-64.8	-59	0	0	0	110.8	S118 L119 D120 T123	N105-S118 CarbonylContact C-O 3.34Å; N105-S118 WeakPolarHBondContact CA-O 3.43Å; N105-L119 HydrophobicContact CB-CD2 4.02Å; N105-L119 WeakPolarHBondContact OD1-CA 3.33Å; N105-L119 WeakPolarHBondContact OD1-CD2 3.43Å; N105-D120 PolarHBondContact ND2-OD2 3.48Å; N105-D120 VanDerWaalsContact ND2-OD2 3.14Å; N105-D120 PolarHBondContact OD1-N 3.26Å; N105-T123 PolarHBondContact ND2-OG1 3.22Å; N105-T123 WeakPolarHBondContact OD1-CB 3.5Å; N105-T123 PolarHBondContact OD1-OG1 2.95Å
106	T	82.8	Confident	81.5	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.9	-177.1	-54.2	0	0	0	0	110.2	T96 D104 S118 P279	T96-T106 WeakPolarHBondContact OG1-CA 3.23Å; T96-T106 VanDerWaalsContact OG1-CG2 3.27Å; T96-T106 WeakPolarHBondContact OG1-CG2 3.42Å; D104-T106 PolarHBondContact O-N 2.77Å; D104-T106 PolarHBondContact O-OG1 2.87Å; T106-S118 PolarHBondContact N-O 3.31Å; T106-S118 PolarHBondContact O-N 3.03Å; T106-P279 HydrophobicContact CG2-CG 3.41Å; T106-P279 VanDerWaalsContact CG2-CG 3.41Å
107	V	84.3	Confident	81	Confident	12 Å²	12	50.7 Å²	50.7	7%	0.073	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.7	-178.3	-177.5	0	0	0	0	111.1	L74 L95 T96 L115 I116 L117	L74-V107 HydrophobicContact CD1-CG2 4.02Å; L74-V107 HydrophobicContact CD2-CB 4.18Å; L74-V107 HydrophobicContact CD2-CG1 3.92Å; L74-V107 HydrophobicContact CD2-CG2 3.96Å; L95-V107 WeakPolarHBondContact CA-O 3.47Å; T96-V107 HydrophobicContact CG2-CB 3.8Å; T96-V107 HydrophobicContact CG2-CG2 4.38Å; T96-V107 PolarHBondContact N-O 3.41Å; T96-V107 PolarHBondContact OG1-N 3.21Å; T96-V107 PolarHBondContact OG1-O 3.49Å; V107-L115 HydrophobicContact CG1-CD1 3.55Å; V107-L115 HydrophobicContact CG1-CG 4.09Å; V107-I116 WeakPolarHBondContact CA-O 3.28Å; V107-L117 HydrophobicContact CG1-CG 4.26Å; V107-L117 HydrophobicContact CG2-CB 4.4Å; V107-L117 HydrophobicContact CG2-CD2 4.21Å; V107-L117 HydrophobicContact CG2-CG 4.06Å
108	A	85	Confident	80.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	129.4	-175.8	0	0	0	0	0	110.6	Y38 A94 L95 L110 I116 P279	Y38-A108 HydrophobicContact CE2-CB 4.06Å; Y38-A108 WeakPolarHBondContact OH-CB 3.27Å; A94-A108 CarbonylContact O-C 3.54Å; A94-A108 WeakPolarHBondContact O-CA 3.44Å; L95-A108 HydrophobicContact CD1-CB 4.06Å; A108-L110 HydrophobicContact CB-CD1 4.47Å; A108-I116 PolarHBondContact N-O 3.05Å; A108-I116 PolarHBondContact O-N 3.16Å; A108-P279 HydrophobicContact CB-CB 4.35Å; A108-P279 HydrophobicContact CB-CG 3.88Å
109	L	85.5	Confident	79.9	Confident	3 Å²	3	40.9 Å²	40.9	2%	0.016	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.1	173.6	178.8	66.2	0	0	0	109.9	Y38 F82 I87 C92 Y93 A94 L115	Y38-L109 VanDerWaalsContact OH-C 3.25Å; Y38-L109 PolarHBondContact OH-N 3.21Å; Y38-L109 PolarHBondContact OH-O 3.15Å; F82-L109 HydrophobicContact CE1-CD2 3.9Å; F82-L109 HydrophobicContact CZ-CD2 4.01Å; I87-L109 HydrophobicContact CD1-CD1 4.45Å; C92-L109 HydrophobicContact CB-CD2 4.09Å; Y93-L109 WeakPolarHBondContact CA-O 3.42Å; A94-L109 HydrophobicContact CB-CB 3.69Å; A94-L109 HydrophobicContact CB-CD2 4.38Å; A94-L109 PolarHBondContact N-O 3.27Å; A94-L109 PolarHBondContact O-N 2.77Å; L109-L115 HydrophobicContact CB-CD1 4.11Å; L109-L115 HydrophobicContact CD1-CB 4.41Å; L109-L115 HydrophobicContact CD1-CD1 4.26Å
110	L	83.1	Confident	79.8	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.016	23%	0.225	C	C	.	.			trans	-87.1	155.7	-178.8	-80.9	64	0	0	0	110.9	Y37 C92 A108 N112 G113 K114 I116	Y37-L110 HydrophobicContact CD2-CD2 4.06Å; Y37-L110 HydrophobicContact CD2-CG 3.84Å; Y37-L110 HydrophobicContact CE2-CD2 3.63Å; Y37-L110 HydrophobicContact CE2-CG 3.88Å; C92-L110 CarbonylContact O-C 3.52Å; A108-L110 HydrophobicContact CB-CD1 4.47Å; L110-N112 VanDerWaalsContact CB-OD1 3.23Å; L110-N112 WeakPolarHBondContact CB-OD1 3.35Å; L110-N112 PolarHBondContact O-N 3.18Å; L110-G113 PolarHBondContact O-N 3.15Å; L110-K114 HydrophobicContact CB-CB 4.37Å; L110-K114 PolarHBondContact N-O 3.49Å; L110-I116 HydrophobicContact CD1-CB 4.43Å; L110-I116 HydrophobicContact CD1-CD1 3.51Å; L110-I116 HydrophobicContact CD1-CG1 3.88Å; L110-I116 HydrophobicContact CD2-CD1 3.72Å; L110-I116 HydrophobicContact CG-CD1 4.29Å
111	P	82.6	Confident	79.7	Confident	5 Å²	5	46.2 Å²	46.2	3%	0.032	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-12.5	-179.1	26.4	-35.9	0	0	0	114.2	Y37 Y93	Y37-P111 HydrophobicContact CD1-CG 3.77Å; Y37-P111 HydrophobicContact CE1-CG 3.73Å; Y37-P111 HydrophobicContact CG-CG 4.48Å; Y93-P111 HydrophobicContact CD1-CB 4.47Å; Y93-P111 HydrophobicContact CD1-CG 4.41Å; Y93-P111 HydrophobicContact CE1-CB 3.76Å; Y93-P111 HydrophobicContact CE1-CG 3.56Å; Y93-P111 HydrophobicContact CE2-CB 4.11Å
112	N	78.2	Confident	80	Confident	29 Å²	29	50.5 Å²	50.5	16%	0.155	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	7.6	172.9	62.2	13.7	0	0	0	112.9	L110 K114 I141	L110-N112 VanDerWaalsContact CB-OD1 3.23Å; L110-N112 WeakPolarHBondContact CB-OD1 3.35Å; L110-N112 PolarHBondContact O-N 3.18Å; N112-K114 VanDerWaalsContact C-N 3.33Å; N112-K114 VanDerWaalsContact OD1-CB 3.22Å; N112-K114 WeakPolarHBondContact OD1-CB 3.43Å; N112-K114 VanDerWaalsContact OD1-CG 3.24Å; N112-K114 WeakPolarHBondContact OD1-CG 3.46Å; N112-K114 PolarHBondContact OD1-N 2.96Å; N112-I141 HydrophobicContact CB-CG2 4.31Å
113	G	77.1	Confident	80.5	Confident	30 Å²	30	48.1 Å²	48.1	31%	0.309	25%	0.252	S	S	.	.	S	Bend	trans	79.9	8.5	-178.6	0	0	0	0	0	114.7	L110	L110-G113 PolarHBondContact O-N 3.15Å
114	K	78.3	Confident	80.4	Confident	79 Å²	79	45.1 Å²	45.1	34%	0.343	24%	0.235	S	C	.	.			trans	-82.1	122.6	175.9	-67.1	-178.6	-177.8	-174.7	0	110.6	L110 N112 R139	L110-K114 HydrophobicContact CB-CB 4.37Å; L110-K114 PolarHBondContact N-O 3.49Å; N112-K114 VanDerWaalsContact C-N 3.33Å; N112-K114 VanDerWaalsContact OD1-CB 3.22Å; N112-K114 WeakPolarHBondContact OD1-CB 3.43Å; N112-K114 VanDerWaalsContact OD1-CG 3.24Å; N112-K114 WeakPolarHBondContact OD1-CG 3.46Å; N112-K114 PolarHBondContact OD1-N 2.96Å; K114-R139 PolarHBondContact NZ-O 3.43Å
115	L	81.1	Confident	80.3	Confident	49 Å²	49	48 Å²	48	26%	0.257	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	117.6	168.4	-169	66.5	0	0	0	108.6	L77 I78 V107 L109 L117	L77-L115 HydrophobicContact CD1-CD1 4.32Å; I78-L115 HydrophobicContact CG2-CD2 4.04Å; V107-L115 HydrophobicContact CG1-CD1 3.55Å; V107-L115 HydrophobicContact CG1-CG 4.09Å; L109-L115 HydrophobicContact CB-CD1 4.11Å; L109-L115 HydrophobicContact CD1-CB 4.41Å; L109-L115 HydrophobicContact CD1-CD1 4.26Å; L115-L117 HydrophobicContact CD2-CD1 4.31Å; L115-L117 HydrophobicContact CG-CD1 4.06Å
116	I	80.7	Confident	80.6	Confident	51 Å²	51	53.7 Å²	53.7	26%	0.262	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.4	179.5	-60.7	-177	0	0	0	107.8	V107 A108 L110 P279 V280	V107-I116 WeakPolarHBondContact CA-O 3.28Å; A108-I116 PolarHBondContact N-O 3.05Å; A108-I116 PolarHBondContact O-N 3.16Å; L110-I116 HydrophobicContact CD1-CB 4.43Å; L110-I116 HydrophobicContact CD1-CD1 3.51Å; L110-I116 HydrophobicContact CD1-CG1 3.88Å; L110-I116 HydrophobicContact CD2-CD1 3.72Å; L110-I116 HydrophobicContact CG-CD1 4.29Å; I116-P279 HydrophobicContact CG2-CB 4.43Å; I116-V280 HydrophobicContact CD1-CG2 3.56Å; I116-V280 HydrophobicContact CG2-CG2 4.15Å
117	L	80.3	Confident	80.5	Confident	60 Å²	60	56.8 Å²	56.8	31%	0.314	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120.8	179.4	-57.5	87.2	0	0	0	108.1	L74 V107 L115 L119	L74-L117 HydrophobicContact CD1-CD2 3.83Å; V107-L117 HydrophobicContact CG1-CG 4.26Å; V107-L117 HydrophobicContact CG2-CB 4.4Å; V107-L117 HydrophobicContact CG2-CD2 4.21Å; V107-L117 HydrophobicContact CG2-CG 4.06Å; L115-L117 HydrophobicContact CD2-CD1 4.31Å; L115-L117 HydrophobicContact CG-CD1 4.06Å; L117-L119 HydrophobicContact CB-CD1 4.35Å; L117-L119 HydrophobicContact CB-CD2 4.06Å; L117-L119 HydrophobicContact CB-CG 3.98Å; L117-L119 HydrophobicContact CD2-CD2 4.37Å
118	S	80.7	Confident	80.2	Confident	33 Å²	33	58.9 Å²	58.9	23%	0.231	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	108.7	165.2	-170.7	0	0	0	0	106.7	N105 T106	N105-S118 CarbonylContact C-O 3.34Å; N105-S118 WeakPolarHBondContact CA-O 3.43Å; T106-S118 PolarHBondContact N-O 3.31Å; T106-S118 PolarHBondContact O-N 3.03Å
119	L	78.6	Confident	79.8	Confident	42 Å²	42	63 Å²	63	22%	0.22	34%	0.336	C	S	.	.			trans	-113	145.1	-174.4	-58.2	178.8	0	0	0	111	N105 L117 T123 T127	N105-L119 HydrophobicContact CB-CD2 4.02Å; N105-L119 WeakPolarHBondContact OD1-CA 3.33Å; N105-L119 WeakPolarHBondContact OD1-CD2 3.43Å; L117-L119 HydrophobicContact CB-CD1 4.35Å; L117-L119 HydrophobicContact CB-CD2 4.06Å; L117-L119 HydrophobicContact CB-CG 3.98Å; L117-L119 HydrophobicContact CD2-CD2 4.37Å; L119-T123 HydrophobicContact CD1-CG2 4.45Å; L119-T123 HydrophobicContact CD2-CG2 4.13Å; L119-T127 HydrophobicContact CD1-CG2 4.45Å
120	D	80.5	Confident	79.3	Confident	60 Å²	60	71.9 Å²	71.9	32%	0.321	38%	0.377	S	S	.	.			trans	-65.5	168.7	164.3	68.4	44.2	0	0	0	110.7	N105 D122 T123 Y124	N105-D120 PolarHBondContact ND2-OD2 3.48Å; N105-D120 VanDerWaalsContact ND2-OD2 3.14Å; N105-D120 PolarHBondContact OD1-N 3.26Å; D120-D122 PolarHBondContact O-N 3.22Å; D120-D122 PolarHBondContact OD1-N 3.26Å; D120-D122 VanDerWaalsContact OD1-N 3.15Å; D120-T123 VanDerWaalsContact CG-OG1 3.25Å; D120-T123 WeakPolarHBondContact OD1-CB 3.34Å; D120-T123 PolarHBondContact OD1-N 3.1Å; D120-T123 PolarHBondContact OD1-OG1 3.29Å; D120-T123 PolarHBondContact OD2-OG1 3.15Å; D120-Y124 VanDerWaalsContact O-CB 3.25Å; D120-Y124 WeakPolarHBondContact O-CB 3.47Å; D120-Y124 PolarHBondContact O-N 3.33Å
121	K	77.3	Confident	78.7	Confident	143 Å²	143	73.9 Å²	73.9	62%	0.622	40%	0.399	S	S	*	.	H	α-helix	trans	-61.2	-46.8	-175.3	-175.7	-175.2	171.9	-166.8	0	112.1	Y124 E125	K121-Y124 PolarHBondContact O-N 3.29Å; K121-E125 WeakPolarHBondContact CE-OE1 3.2Å; K121-E125 IonicContact NZ-OE1 3.88Å; K121-E125 WeakPolarHBondContact O-CG 3.36Å; K121-E125 PolarHBondContact O-N 3.41Å
122	D	80.6	Confident	77.9	Confident	108 Å²	108	78.4 Å²	78.4	58%	0.578	42%	0.419	S	S	*	.	H	α-helix	trans	-66.7	-46	-172.5	-62.4	-17.8	0	0	0	109.6	D120 Y124 E125 E126	D120-D122 PolarHBondContact O-N 3.22Å; D120-D122 PolarHBondContact OD1-N 3.26Å; D120-D122 VanDerWaalsContact OD1-N 3.15Å; D122-Y124 PolarHBondContact O-N 3.05Å; D122-E125 PolarHBondContact O-N 2.91Å; D122-E126 WeakPolarHBondContact O-CB 3.44Å; D122-E126 WeakPolarHBondContact O-CG 3.23Å; D122-E126 PolarHBondContact O-N 2.92Å
123	T	79.8	Confident	77.1	Confident	36 Å²	36	82.8 Å²	82.8	22%	0.221	45%	0.449	C	S	.	.	H	α-helix	trans	-65.3	-40.3	177.6	-50.4	0	0	0	0	111.8	N105 L119 D120 E126 T127	N105-T123 PolarHBondContact ND2-OG1 3.22Å; N105-T123 WeakPolarHBondContact OD1-CB 3.5Å; N105-T123 PolarHBondContact OD1-OG1 2.95Å; L119-T123 HydrophobicContact CD1-CG2 4.45Å; L119-T123 HydrophobicContact CD2-CG2 4.13Å; D120-T123 VanDerWaalsContact CG-OG1 3.25Å; D120-T123 WeakPolarHBondContact OD1-CB 3.34Å; D120-T123 PolarHBondContact OD1-N 3.1Å; D120-T123 PolarHBondContact OD1-OG1 3.29Å; D120-T123 PolarHBondContact OD2-OG1 3.15Å; T123-E126 PolarHBondContact O-N 3.25Å; T123-T127 HydrophobicContact CG2-CG2 4.17Å; T123-T127 WeakPolarHBondContact O-CB 3.24Å; T123-T127 WeakPolarHBondContact O-CG2 3.39Å; T123-T127 PolarHBondContact O-N 3.09Å; T123-T127 PolarHBondContact O-OG1 3.47Å; T123-T127 VanDerWaalsContact O-OG1 3.06Å
124	Y	73.1	Confident	76.2	Confident	87 Å²	87	85.2 Å²	85.2	34%	0.341	46%	0.462	S	S	.	.	H	α-helix	trans	-61.5	-45.4	175.7	177.6	-103.7	0	0	0	111.9	D120 K121 D122 T127 G128 L129 G131	D120-Y124 VanDerWaalsContact O-CB 3.25Å; D120-Y124 WeakPolarHBondContact O-CB 3.47Å; D120-Y124 PolarHBondContact O-N 3.33Å; K121-Y124 PolarHBondContact O-N 3.29Å; D122-Y124 PolarHBondContact O-N 3.05Å; Y124-T127 PolarHBondContact O-OG1 2.89Å; Y124-T127 VanDerWaalsContact O-OG1 3.06Å; Y124-G128 PolarHBondContact O-N 3.49Å; Y124-L129 WeakPolarHBondContact CE2-O 3.48Å; Y124-L129 PolarHBondContact OH-O 3.26Å; Y124-G131 WeakPolarHBondContact OH-CA 3.44Å; Y124-G131 PolarHBondContact OH-N 2.95Å; Y124-G131 PolarHBondContact OH-O 2.9Å
125	E	77.8	Confident	75	Confident	129 Å²	129	88.4 Å²	88.4	60%	0.603	48%	0.478	S	S	*	.	H	α-helix	trans	-66.4	-38.7	178.8	-71.5	179.5	-175.3	0	0	112	K121 D122	K121-E125 WeakPolarHBondContact CE-OE1 3.2Å; K121-E125 IonicContact NZ-OE1 3.88Å; K121-E125 WeakPolarHBondContact O-CG 3.36Å; K121-E125 PolarHBondContact O-N 3.41Å; D122-E125 PolarHBondContact O-N 2.91Å
126	E	84.8	Confident	73.2	Confident	168 Å²	168	90.7 Å²	90.7	79%	0.785	49%	0.486	S	S	*	.	H	α-helix	trans	-70.5	-38.8	178.5	-74.7	-179.2	-178	0	0	113.6	D122 T123 G128	D122-E126 WeakPolarHBondContact O-CB 3.44Å; D122-E126 WeakPolarHBondContact O-CG 3.23Å; D122-E126 PolarHBondContact O-N 2.92Å; T123-E126 PolarHBondContact O-N 3.25Å; E126-G128 VanDerWaalsContact C-N 3.25Å; E126-G128 PolarHBondContact O-N 3.44Å
127	T	81.6	Confident	70.8	Confident	65 Å²	65	93.6 Å²	93.6	40%	0.399	51%	0.51	S	S	.	.	H	α-helix	trans	-70.1	-23.5	-178.9	57.6	0	0	0	0	112.9	L119 T123 Y124 L129	L119-T127 HydrophobicContact CD1-CG2 4.45Å; T123-T127 HydrophobicContact CG2-CG2 4.17Å; T123-T127 WeakPolarHBondContact O-CB 3.24Å; T123-T127 WeakPolarHBondContact O-CG2 3.39Å; T123-T127 PolarHBondContact O-N 3.09Å; T123-T127 PolarHBondContact O-OG1 3.47Å; T123-T127 VanDerWaalsContact O-OG1 3.06Å; Y124-T127 PolarHBondContact O-OG1 2.89Å; Y124-T127 VanDerWaalsContact O-OG1 3.06Å; T127-L129 PolarHBondContact O-N 2.79Å
128	G	78.8	Confident	68.4	Low	56 Å²	56	93 Å²	93	58%	0.577	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	16.3	-178.3	0	0	0	0	0	114	Y124 E126	Y124-G128 PolarHBondContact O-N 3.49Å; E126-G128 VanDerWaalsContact C-N 3.25Å; E126-G128 PolarHBondContact O-N 3.44Å
129	L	76.6	Confident	65.9	Low	88 Å²	88	101.6 Å²	101.6	46%	0.461	55%	0.546	S	S	.	.			trans	-71.7	144.7	179	-68.5	173.8	0	0	0	110.6	Y124 T127 G131	Y124-L129 WeakPolarHBondContact CE2-O 3.48Å; Y124-L129 PolarHBondContact OH-O 3.26Å; T127-L129 PolarHBondContact O-N 2.79Å; L129-G131 PolarHBondContact O-N 3Å
130	Q	74.4	Confident	63.4	Low	188 Å²	188	108.6 Å²	108.6	88%	0.879	58%	0.575	S	S	*	*			trans	-76.9	114.6	170	-64.5	-62.9	-60.3	0	0	108.8
131	G	69.6	Low	61	Low	45 Å²	45	109.3 Å²	109.3	46%	0.464	58%	0.578	S	S	.	*			trans	-133.5	-174.8	172.4	0	0	0	0	0	111.6	Y124 L129	Y124-G131 WeakPolarHBondContact OH-CA 3.44Å; Y124-G131 PolarHBondContact OH-N 2.95Å; Y124-G131 PolarHBondContact OH-O 2.9Å; L129-G131 PolarHBondContact O-N 3Å
132	H	66.8	Low	58.4	Low	101 Å²	101	110.2 Å²	110.2	47%	0.468	59%	0.586	S	S	.	*			trans	-122.3	152.6	168.6	54.4	81.1	0	0	0	108.1	S134 E286	H132-S134 PolarHBondContact O-N 2.94Å; H132-E286 IonicContact CE1-OE1 2.7Å; H132-E286 PolarHBondContact CE1-OE1 2.85Å
133	P	60.3	Low	55.8	Low	120 Å²	120	109.8 Å²	109.8	78%	0.779	58%	0.579	S	S	*	*			trans	-50.4	128.9	160.7	-22	33.2	0	0	0	108.1	Q135	P133-Q135 PolarHBondContact O-N 2.92Å
134	S	59.7	Low	53.2	Low	82 Å²	82	115.2 Å²	115.2	57%	0.573	60%	0.6	S	S	*	*	S	Bend	trans	-51.2	137.8	172.6	156.6	0	0	0	0	109.7	H132 E286	H132-S134 PolarHBondContact O-N 2.94Å; S134-E286 VanDerWaalsContact CA-OE2 3.28Å; S134-E286 WeakPolarHBondContact CA-OE2 3.23Å; S134-E286 WeakPolarHBondContact CB-OE2 3.24Å; S134-E286 PolarHBondContact OG-OE2 2.85Å
135	Q	52.1	Low	50.9	Low	145 Å²	145	115.6 Å²	115.6	68%	0.678	62%	0.616	S	S	*	*	S	Bend	trans	113.4	53	-164.1	-63.6	176.3	33.6	0	0	116.4	P133 E286	P133-Q135 PolarHBondContact O-N 2.92Å; Q135-E286 PolarHBondContact N-OE1 3Å; Q135-E286 PolarHBondContact N-OE2 3.26Å
136	F	43	Very low	48.5	Very low	98 Å²	98	112.8 Å²	112.8	43%	0.43	61%	0.61	S	S	.	*			trans	103.6	145.7	150.3	-55.8	-69.6	0	0	0	123	E286 H318	F136-E286 PolarHBondContact N-OE1 2.89Å; F136-H318 AromaticContact CE1-CD2 3.31Å; F136-H318 WeakPolarHBondContact CE1-CD2 3.35Å; F136-H318 AromaticContact CE1-NE2 3.53Å; F136-H318 AromaticContact CE2-NE2 3.67Å; F136-H318 AromaticContact CZ-CD2 3.16Å; F136-H318 WeakPolarHBondContact CZ-CD2 3.22Å; F136-H318 AromaticContact CZ-NE2 2.94Å; F136-H318 WeakPolarHBondContact CZ-NE2 3.48Å
137	S	30.3	Very low	46.1	Very low	111 Å²	111	112.3 Å²	112.3	78%	0.776	61%	0.608	S	S	*	*			trans	96.5	123.7	157.4	-171	0	0	0	0	117.5
138	G	30.9	Very low	44.2	Very low	47 Å²	47	115.1 Å²	115.1	49%	0.485	62%	0.616	S	S	.	*			cis	144.9	121.8	-2.5	0	0	0	0	0	112.1
139	R	28.1	Very low	42.7	Very low	215 Å²	215	117.5 Å²	117.5	81%	0.811	62%	0.624	S	S	*	*			trans	171.3	172.3	145.7	-96	176	-172.1	-161.4	3.5	116	K114	K114-R139 PolarHBondContact NZ-O 3.43Å
140	K	26.6	Very low	42	Very low	189 Å²	189	115.8 Å²	115.8	82%	0.822	62%	0.617	S	S	*	*			trans	-70.6	178.4	-142.1	-94.1	177.1	174	-180	0	121.5
141	I	28.2	Very low	41.8	Very low	75 Å²	75	109.1 Å²	109.1	39%	0.385	59%	0.587	S	S	.	*			trans	-121.4	151.1	-151	-63	159.7	0	0	0	112.5	N112 K143	N112-I141 HydrophobicContact CB-CG2 4.31Å; I141-K143 HydrophobicContact CG2-CG 4.36Å
142	M	23.9	Very low	41.7	Very low	162 Å²	162	110.7 Å²	110.7	80%	0.798	58%	0.583	S	S	*	*			trans	-146.4	146.2	147.2	-70	-155.2	-69.1	0	0	111.1
143	K	25.2	Very low	42	Very low	99 Å²	99	109.5 Å²	109.5	43%	0.43	59%	0.586	S	S	.	*			trans	-123.4	144.9	-166.9	-81.2	180	167.9	-176.4	0	112.8	I141	I141-K143 HydrophobicContact CG2-CG 4.36Å
144	F	25.6	Very low	42.8	Very low	149 Å²	149	106.4 Å²	106.4	65%	0.654	56%	0.559	S	S	*	*			trans	-154.8	161.3	162.5	-64.6	-71.7	0	0	0	112.1	G90 S91	G90-F144 CarbonylContact C-O 3.59Å; G90-F144 WeakPolarHBondContact CA-O 3.38Å; G90-F144 PolarHBondContact N-O 2.95Å; G90-F144 VanDerWaalsContact N-O 3.1Å; S91-F144 PolarHBondContact N-O 3.1Å
145	S	24.8	Very low	43.9	Very low	96 Å²	96	103 Å²	103	67%	0.671	53%	0.534	S	S	*	.			trans	-123	156.5	-166.5	57.7	0	0	0	0	116.2	K89	K89-S145 CarbonylContact C-O 3.56Å; K89-S145 CarbonylContact O-C 3.53Å
146	S	27.1	Very low	45.3	Very low	69 Å²	69	100 Å²	100	48%	0.483	53%	0.53	S	S	.	.			trans	172.6	-176.6	164.2	103.7	0	0	0	0	113.4	K89 G90	K89-S146 VanDerWaalsContact C-N 3.26Å; K89-S146 WeakPolarHBondContact CB-OG 3.42Å; K89-S146 CarbonylContact O-C 3.57Å; K89-S146 WeakPolarHBondContact O-CA 3.4Å; K89-S146 WeakPolarHBondContact O-CB 3.42Å; K89-S146 PolarHBondContact O-N 3.49Å; K89-S146 PolarHBondContact O-OG 3.03Å; G90-S146 VanDerWaalsContact CA-N 3.27Å
147	E	34.4	Very low	47.3	Very low	158 Å²	158	104 Å²	104	74%	0.738	55%	0.546	S	S	*	.				-105	156.4	-125.9	-65	171.6	160	0	0	117.7	S149	E147-S149 PolarHBondContact O-N 2.89Å
148	E	42.9	Very low	50.2	Low	125 Å²	125	101.1 Å²	101.1	58%	0.584	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-56.6	-32.9	-171.1	-93.2	163.5	151.8	0	0	118	P65 T150	P65-E148 WeakPolarHBondContact CD-OE1 3.45Å; E148-T150 VanDerWaalsContact C-N 3.26Å; E148-T150 PolarHBondContact O-N 3.02Å; E148-T150 VanDerWaalsContact O-N 3.13Å
149	S	47.1	Very low	52.9	Low	105 Å²	105	104.3 Å²	104.3	73%	0.734	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-75.7	-7.2	-162.5	64	0	0	0	0	115.7	E147	E147-S149 PolarHBondContact O-N 2.89Å
150	T	62.1	Low	56	Low	53 Å²	53	95.2 Å²	95.2	33%	0.325	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-92.9	-14.1	-172	-45.3	0	0	0	0	113.6	T85 F86 E148 S153 Y154	T85-T150 HydrophobicContact CG2-CG2 3.37Å; F86-T150 HydrophobicContact CE1-CG2 4.26Å; F86-T150 HydrophobicContact CZ-CG2 3.99Å; E148-T150 VanDerWaalsContact C-N 3.26Å; E148-T150 PolarHBondContact O-N 3.02Å; E148-T150 VanDerWaalsContact O-N 3.13Å; T150-S153 PolarHBondContact O-OG 2.84Å; T150-S153 VanDerWaalsContact O-OG 3.05Å; T150-Y154 VanDerWaalsContact O-CB 3.27Å; T150-Y154 WeakPolarHBondContact O-CB 3.44Å; T150-Y154 PolarHBondContact O-N 3.11Å; T150-Y154 VanDerWaalsContact O-N 3.16Å
151	M	69.8	Low	59.1	Low	47 Å²	47	90.1 Å²	90.1	23%	0.232	47%	0.468	C	S	.	.	H	α-helix	trans	-75.4	-42.7	-167.7	-155.6	134.3	82.3	0	0	113.7	Y67 F86 S153 Y154 F155 I160	Y67-M151 HydrophobicContact CD2-CE 2.99Å; Y67-M151 HydrophobicContact CE2-CE 3.54Å; Y67-M151 HydrophobicContact CG-CE 3.66Å; F86-M151 HydrophobicContact CE1-CB 4.21Å; F86-M151 HydrophobicContact CE1-CG 4.44Å; F86-M151 HydrophobicContact CE1-SD 4.4Å; F86-M151 HydrophobicContact CZ-CB 4.44Å; M151-S153 PolarHBondContact O-N 2.78Å; M151-Y154 PolarHBondContact O-N 2.76Å; M151-F155 HydrophobicContact CG-CD2 3.95Å; M151-F155 HydrophobicContact CG-CE2 4.09Å; M151-F155 PolarHBondContact O-N 2.82Å; M151-F155 VanDerWaalsContact O-N 3.15Å; M151-I160 HydrophobicContact CG-CD1 4.38Å
152	M	67.7	Low	62.2	Low	78 Å²	78	91.2 Å²	91.2	38%	0.384	47%	0.471	S	S	.	.	H	α-helix	trans	-64.3	-39.7	178.6	-72.2	-64.7	-72	0	0	112.9	Y67 S156 I160	Y67-M152 HydrophobicContact CD1-CG 4.33Å; Y67-M152 HydrophobicContact CD1-SD 3.74Å; Y67-M152 HydrophobicContact CE1-CG 3.68Å; Y67-M152 HydrophobicContact CE1-SD 3.62Å; M152-S156 PolarHBondContact O-N 2.69Å; M152-I160 HydrophobicContact CE-CG2 3.95Å; M152-I160 HydrophobicContact SD-CB 4.32Å; M152-I160 HydrophobicContact SD-CD1 3.75Å; M152-I160 HydrophobicContact SD-CG1 3.65Å; M152-I160 HydrophobicContact SD-CG2 3.77Å
153	S	71.9	Confident	65.6	Low	76 Å²	76	86.6 Å²	86.6	53%	0.531	45%	0.447	S	S	.	.	H	α-helix	trans	-71.4	-41.4	178.2	58.4	0	0	0	0	111.4	T150 M151 S156	T150-S153 PolarHBondContact O-OG 2.84Å; T150-S153 VanDerWaalsContact O-OG 3.05Å; M151-S153 PolarHBondContact O-N 2.78Å; S153-S156 VanDerWaalsContact O-CB 3.32Å; S153-S156 WeakPolarHBondContact O-CB 3.38Å; S153-S156 PolarHBondContact O-N 2.79Å; S153-S156 PolarHBondContact O-OG 3.44Å
154	Y	77.7	Confident	69	Low	56 Å²	56	86.9 Å²	86.9	22%	0.22	45%	0.45	C	S	.	.	H	α-helix	trans	-62	-45.7	-179.1	-168	-88.7	0	0	0	112.4	T79 E81 F82 F86 T150 M151	T79-Y154 PolarHBondContact OG1-OH 2.83Å; E81-Y154 HydrophobicContact CB-CE2 4.14Å; F82-Y154 WeakPolarHBondContact CA-OH 3.45Å; F82-Y154 HydrophobicContact CB-CE1 4.27Å; F82-Y154 WeakPolarHBondContact CB-OH 3.34Å; F82-Y154 HydrophobicContact CD2-CD1 4.42Å; F82-Y154 AromaticContact CD2-CE1 3.86Å; F82-Y154 HydrophobicContact CD2-CE1 3.86Å; F82-Y154 PolarHBondContact N-OH 3.44Å; F82-Y154 VanDerWaalsContact N-OH 3.13Å; F86-Y154 AromaticContact CE2-CD1 3.91Å; F86-Y154 HydrophobicContact CE2-CD1 3.91Å; F86-Y154 AromaticContact CE2-CD2 3.87Å; F86-Y154 HydrophobicContact CE2-CD2 3.87Å; F86-Y154 HydrophobicContact CE2-CE1 4.42Å; F86-Y154 HydrophobicContact CE2-CE2 4.39Å; F86-Y154 AromaticContact CE2-CG 3.63Å; F86-Y154 HydrophobicContact CE2-CG 3.63Å; F86-Y154 HydrophobicContact CZ-CD2 4.43Å; F86-Y154 HydrophobicContact CZ-CG 4.04Å; T150-Y154 VanDerWaalsContact O-CB 3.27Å; T150-Y154 WeakPolarHBondContact O-CB 3.44Å; T150-Y154 PolarHBondContact O-N 3.11Å; T150-Y154 VanDerWaalsContact O-N 3.16Å; M151-Y154 PolarHBondContact O-N 2.76Å
155	F	83.2	Confident	72.4	Confident	9 Å²	9	80.4 Å²	80.4	4%	0.039	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	17.4	180	-64.6	-66.5	0	0	0	114.2	V69 L72 L77 F82 M151 K157 Y158 I160	V69-F155 HydrophobicContact CG2-CB 4.49Å; V69-F155 HydrophobicContact CG2-CG 4.47Å; L72-F155 HydrophobicContact CD1-CD1 3.62Å; L72-F155 HydrophobicContact CD1-CE1 3.52Å; L72-F155 HydrophobicContact CD2-CD1 4.5Å; L72-F155 HydrophobicContact CD2-CE1 3.93Å; L72-F155 HydrophobicContact CD2-CZ 4.26Å; L72-F155 HydrophobicContact CG-CE1 4.39Å; L77-F155 HydrophobicContact CD2-CZ 4.37Å; F82-F155 AromaticContact CD2-CZ 3.96Å; F82-F155 HydrophobicContact CD2-CZ 3.96Å; F82-F155 HydrophobicContact CE2-CE2 4.17Å; F82-F155 AromaticContact CE2-CZ 3.7Å; F82-F155 HydrophobicContact CE2-CZ 3.7Å; M151-F155 HydrophobicContact CG-CD2 3.95Å; M151-F155 HydrophobicContact CG-CE2 4.09Å; M151-F155 PolarHBondContact O-N 2.82Å; M151-F155 VanDerWaalsContact O-N 3.15Å; F155-K157 PolarHBondContact O-N 2.93Å; F155-Y158 HydrophobicContact CB-CD2 4.45Å; F155-Y158 HydrophobicContact CD1-CD2 4.05Å; F155-Y158 HydrophobicContact CD1-CE2 4.45Å; F155-Y158 WeakPolarHBondContact O-CA 3.49Å; F155-Y158 WeakPolarHBondContact O-CB 3.38Å; F155-Y158 PolarHBondContact O-N 3.36Å; F155-Y158 VanDerWaalsContact O-O 3.13Å; F155-I160 HydrophobicContact CB-CB 4.36Å; F155-I160 HydrophobicContact CB-CD1 3.97Å; F155-I160 HydrophobicContact CD2-CD1 4.28Å
156	S	80.4	Confident	75.8	Confident	84 Å²	84	83 Å²	83	59%	0.587	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.3	-178.4	56.3	0	0	0	0	114.9	M152 S153 Y158	M152-S156 PolarHBondContact O-N 2.69Å; S153-S156 VanDerWaalsContact O-CB 3.32Å; S153-S156 WeakPolarHBondContact O-CB 3.38Å; S153-S156 PolarHBondContact O-N 2.79Å; S153-S156 PolarHBondContact O-OG 3.44Å; S156-Y158 PolarHBondContact O-N 3.39Å
157	K	85.6	Confident	79.2	Confident	180 Å²	180	81.7 Å²	81.7	78%	0.783	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-18.2	173.1	-62.5	179.6	-175.2	171.7	0	113.1	F155	F155-K157 PolarHBondContact O-N 2.93Å
158	Y	90.4	Very high	82.1	Confident	51 Å²	51	76.2 Å²	76.2	20%	0.2	39%	0.393	C	S	.	.	S	Bend	trans	-109.6	161.9	-178.9	-58.4	-81.5	0	0	0	110.4	V69 L72 P73 E76 F155 S156 I160	V69-Y158 HydrophobicContact CG1-CG 4.23Å; L72-Y158 HydrophobicContact CD1-CD1 4.46Å; L72-Y158 HydrophobicContact CD1-CD2 3.94Å; L72-Y158 HydrophobicContact CD1-CE1 4.43Å; L72-Y158 HydrophobicContact CD1-CE2 3.89Å; L72-Y158 HydrophobicContact CD1-CG 4.24Å; P73-Y158 VanDerWaalsContact CD-CE1 3.44Å; P73-Y158 HydrophobicContact CG-CE1 4.2Å; P73-Y158 WeakPolarHBondContact CG-OH 3.5Å; E76-Y158 HydrophobicContact CG-CE2 4.16Å; E76-Y158 WeakPolarHBondContact CG-OH 3.05Å; E76-Y158 PolarHBondContact OE1-OH 3Å; F155-Y158 HydrophobicContact CB-CD2 4.45Å; F155-Y158 HydrophobicContact CD1-CD2 4.05Å; F155-Y158 HydrophobicContact CD1-CE2 4.45Å; F155-Y158 WeakPolarHBondContact O-CA 3.49Å; F155-Y158 WeakPolarHBondContact O-CB 3.38Å; F155-Y158 PolarHBondContact O-N 3.36Å; F155-Y158 VanDerWaalsContact O-O 3.13Å; S156-Y158 PolarHBondContact O-N 3.39Å; Y158-I160 PolarHBondContact O-N 2.97Å
159	Q	88.5	Confident	84.5	Confident	115 Å²	115	73.8 Å²	73.8	54%	0.537	38%	0.384	S	S	.	.			trans	-77.1	78.9	174.6	-62.9	80.3	27.4	0	0	110.3	K70	K70-Q159 HydrophobicContact CB-CB 4.41Å; K70-Q159 PolarHBondContact N-O 3.34Å
160	I	92.3	Very high	86.6	Confident	24 Å²	24	71.5 Å²	71.5	12%	0.123	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	137	172.5	-173.5	162	0	0	0	111.1	Y67 F68 V69 M151 M152 F155 Y158	Y67-I160 HydrophobicContact CD1-CD1 3.92Å; Y67-I160 HydrophobicContact CD1-CG1 4.12Å; Y67-I160 HydrophobicContact CG-CD1 4.31Å; F68-I160 CarbonylContact O-C 3.59Å; F68-I160 WeakPolarHBondContact O-CA 3.36Å; V69-I160 HydrophobicContact CG2-CB 4.1Å; V69-I160 HydrophobicContact CG2-CD1 3.94Å; V69-I160 HydrophobicContact CG2-CG1 3.88Å; M151-I160 HydrophobicContact CG-CD1 4.38Å; M152-I160 HydrophobicContact CE-CG2 3.95Å; M152-I160 HydrophobicContact SD-CB 4.32Å; M152-I160 HydrophobicContact SD-CD1 3.75Å; M152-I160 HydrophobicContact SD-CG1 3.65Å; M152-I160 HydrophobicContact SD-CG2 3.77Å; F155-I160 HydrophobicContact CB-CB 4.36Å; F155-I160 HydrophobicContact CB-CD1 3.97Å; F155-I160 HydrophobicContact CD2-CD1 4.28Å; Y158-I160 PolarHBondContact O-N 2.97Å
161	Q	92.7	Very high	88.1	Confident	82 Å²	82	72.2 Å²	72.2	38%	0.383	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129.9	176.6	-61.7	-179.3	-5.3	0	0	109.4	Y67 F68 H163	Y67-Q161 CarbonylContact C-O 3.59Å; Y67-Q161 WeakPolarHBondContact CA-O 3.26Å; F68-Q161 PolarHBondContact N-O 2.89Å; F68-Q161 PolarHBondContact O-N 2.94Å; Q161-H163 WeakPolarHBondContact CB-NE2 3.39Å; Q161-H163 PolarHBondContact O-CD2 2.88Å; Q161-H163 PolarHBondContact OE1-NE2 2.77Å
162	E	94	Very high	89.2	Confident	97 Å²	97	71.4 Å²	71.4	45%	0.453	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	134.1	169.9	-169.9	177.4	134.4	0	0	109.6	P65 Y67	P65-E162 HydrophobicContact CB-CG 3.62Å; P65-E162 HydrophobicContact CG-CG 4.3Å; Y67-E162 HydrophobicContact CD1-CB 4Å; Y67-E162 HydrophobicContact CD1-CG 4.18Å; Y67-E162 HydrophobicContact CE1-CB 3.75Å; Y67-E162 HydrophobicContact CE1-CG 3.66Å; Y67-E162 PolarHBondContact OH-OE2 3.05Å
163	H	94.7	Very high	90.4	Very high	65 Å²	65	77 Å²	77	30%	0.301	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	147.7	179	-70.1	-89.5	0	0	0	110.2	P65 Y66 Q161	P65-H163 WeakPolarHBondContact CA-O 3.31Å; Y66-H163 HydrophobicContact CD1-CB 4.29Å; Y66-H163 HydrophobicContact CD2-CB 4Å; Y66-H163 HydrophobicContact CE1-CB 3.8Å; Y66-H163 HydrophobicContact CE2-CB 3.49Å; Y66-H163 VanDerWaalsContact CE2-CB 3.49Å; Y66-H163 HydrophobicContact CG-CB 4.37Å; Y66-H163 PolarHBondContact N-O 2.94Å; Y66-H163 PolarHBondContact O-N 3.13Å; Q161-H163 WeakPolarHBondContact CB-NE2 3.39Å; Q161-H163 PolarHBondContact O-CD2 2.88Å; Q161-H163 PolarHBondContact OE1-NE2 2.77Å
164	Q	95.8	Very high	91.4	Very high	106 Å²	106	79 Å²	79	50%	0.495	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-103.3	143.2	172.3	-67.8	-64.2	-16	0	0	109.9	K166	Q164-K166 PolarHBondContact O-N 3.49Å
165	P	97.3	Very high	92.1	Very high	13 Å²	13	77.4 Å²	77.4	8%	0.084	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-55	136.4	169.4	-27.2	36.4	0	0	0	111.4	Y66 V167 I239 T240 I243	Y66-P165 HydrophobicContact CD1-CG 4.27Å; Y66-P165 HydrophobicContact CE1-CG 4.37Å; P165-V167 PolarHBondContact O-N 3.03Å; P165-I239 HydrophobicContact CB-CG2 3.72Å; P165-T240 CarbonylContact C-O 3.55Å; P165-T240 WeakPolarHBondContact CA-O 3.26Å; P165-I243 HydrophobicContact CB-CD1 3.77Å; P165-I243 HydrophobicContact CG-CD1 3.69Å
166	K	97.4	Very high	92.6	Very high	151 Å²	151	79.9 Å²	79.9	66%	0.657	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	122.2	172.4	-178.7	-178.4	177.6	-176.1	0	108.7	Q164 I239 T240	Q164-K166 PolarHBondContact O-N 3.49Å; K166-I239 CarbonylContact O-C 3.59Å; K166-I239 WeakPolarHBondContact O-CA 3.12Å; K166-T240 PolarHBondContact N-O 3.36Å; K166-T240 PolarHBondContact O-N 3.35Å
167	V	96.6	Very high	93.3	Very high	40 Å²	40	76.2 Å²	76.2	24%	0.242	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123.8	175.6	-178.2	0	0	0	0	109.3	V60 M61 P165 L169 I239	V60-V167 HydrophobicContact CG1-CB 4.35Å; V60-V167 HydrophobicContact CG1-CG1 3.45Å; V60-V167 VanDerWaalsContact CG1-CG1 3.45Å; V60-V167 HydrophobicContact CG1-CG2 3.89Å; M61-V167 HydrophobicContact CE-CB 4.37Å; M61-V167 HydrophobicContact CE-CG1 3.99Å; M61-V167 HydrophobicContact SD-CB 4.39Å; M61-V167 HydrophobicContact SD-CG2 4.15Å; P165-V167 PolarHBondContact O-N 3.03Å; V167-L169 HydrophobicContact CG1-CD2 3.8Å; V167-L169 HydrophobicContact CG1-CG 3.95Å; V167-I239 HydrophobicContact CG2-CG2 4.44Å
168	A	95.4	Very high	93.9	Very high	43 Å²	43	67.7 Å²	67.7	36%	0.355	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	120.6	172.1	0	0	0	0	0	109.3	C237 T238	A168-C237 WeakPolarHBondContact O-CA 3.48Å; A168-T238 PolarHBondContact N-O 2.79Å; A168-T238 PolarHBondContact O-N 3.35Å
169	L	93.1	Very high	94.2	Very high	75 Å²	75	67.5 Å²	67.5	39%	0.393	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.6	179.6	-57.1	175.2	0	0	0	108.6	M61 V167 Y235 C237	M61-L169 HydrophobicContact CE-CD1 4.15Å; V167-L169 HydrophobicContact CG1-CD2 3.8Å; V167-L169 HydrophobicContact CG1-CG 3.95Å; L169-Y235 WeakPolarHBondContact CD1-OH 3.14Å; L169-Y235 HydrophobicContact CD2-CE1 4.13Å; L169-Y235 WeakPolarHBondContact CD2-OH 3.46Å; L169-C237 HydrophobicContact CD2-CB 3.77Å; L169-C237 WeakPolarHBondContact CD2-SG 3.5Å
170	S	92.8	Very high	94.6	Very high	56 Å²	56	63.1 Å²	63.1	39%	0.392	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	146	-178.9	-58	0	0	0	0	110.3	L236	S170-L236 PolarHBondContact N-O 2.89Å; S170-L236 PolarHBondContact O-N 3.36Å; S170-L236 VanDerWaalsContact O-O 3.12Å
171	T	93.6	Very high	94.9	Very high	68 Å²	68	65.1 Å²	65.1	42%	0.417	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	107.6	171.1	-55.5	0	0	0	0	108.1	K233 A234	T171-K233 HydrophobicContact CG2-CB 4.37Å; T171-A234 CarbonylContact C-O 3.19Å; T171-A234 WeakPolarHBondContact CA-O 3.08Å
172	L	92.6	Very high	95	Very high	31 Å²	31	61.9 Å²	61.9	16%	0.162	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	141.2	174.9	-54.1	177.5	0	0	0	108.3	L45 L175 V205 K233 A234 L236	L45-L172 HydrophobicContact CD1-CD1 4.49Å; L172-L175 HydrophobicContact CD1-CD2 4.14Å; L172-V205 HydrophobicContact CD1-CG1 3.63Å; L172-K233 CarbonylContact O-C 3.58Å; L172-K233 WeakPolarHBondContact O-CA 3.47Å; L172-A234 HydrophobicContact CB-CB 4.33Å; L172-A234 PolarHBondContact N-O 2.65Å; L172-A234 PolarHBondContact O-N 2.83Å; L172-L236 HydrophobicContact CD1-CB 4.41Å; L172-L236 HydrophobicContact CD1-CD2 4.29Å
173	R	92.3	Very high	95.1	Very high	195 Å²	195	60.7 Å²	60.7	74%	0.736	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	148.4	178	-63.2	-175.8	-175	-175.3	2.2	109.3	L175 A232	R173-L175 PolarHBondContact O-N 2.8Å; R173-A232 WeakPolarHBondContact CA-O 3.49Å
174	D	92.4	Very high	95.1	Very high	117 Å²	117	61.8 Å²	61.8	63%	0.626	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.5	41.5	175.1	-50.8	-49.7	0	0	0	112.3	V230 V231 A232	D174-V230 HydrophobicContact CB-CG1 4.34Å; D174-V231 CarbonylContact C-O 3.51Å; D174-V231 WeakPolarHBondContact CA-O 3.42Å; D174-V231 PolarHBondContact N-O 2.59Å; D174-A232 PolarHBondContact N-O 2.69Å; D174-A232 VanDerWaalsContact N-O 3.13Å
175	L	92.9	Very high	95.1	Very high	24 Å²	24	58.8 Å²	58.8	13%	0.126	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	123.5	-177.5	-179.4	65.6	0	0	0	109.8	L45 L172 R173 C177 W201 V205 V231 A234	L45-L175 HydrophobicContact CD1-CD2 4.16Å; L172-L175 HydrophobicContact CD1-CD2 4.14Å; R173-L175 PolarHBondContact O-N 2.8Å; L175-C177 PolarHBondContact O-N 3.05Å; L175-W201 HydrophobicContact CD1-CZ2 4.16Å; L175-W201 HydrophobicContact CD2-CH2 4.18Å; L175-W201 HydrophobicContact CD2-CZ2 4.09Å; L175-W201 HydrophobicContact CG-CZ2 4.11Å; L175-V205 HydrophobicContact CD1-CG2 4.2Å; L175-V205 HydrophobicContact CD2-CG1 4.46Å; L175-V231 PolarHBondContact N-O 3.05Å; L175-V231 PolarHBondContact O-N 2.89Å; L175-A234 HydrophobicContact CB-CB 4.28Å; L175-A234 HydrophobicContact CD2-CB 3.58Å
176	Q	94.5	Very high	95	Very high	61 Å²	61	64.2 Å²	64.2	29%	0.285	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	112	173.2	-164.4	177.4	-0.3	0	0	109.8	W201 C224 E226 S228	Q176-W201 VanDerWaalsContact O-CZ2 3.22Å; Q176-W201 WeakPolarHBondContact O-CZ2 3.35Å; Q176-W201 PolarHBondContact O-NE1 2.68Å; Q176-C224 HydrophobicContact CB-CB 4.16Å; Q176-C224 HydrophobicContact CG-CB 3.88Å; Q176-C224 PolarHBondContact O-SG 3.49Å; Q176-E226 PolarHBondContact NE2-OE1 3.25Å; Q176-S228 WeakPolarHBondContact CG-OG 3.18Å; Q176-S228 PolarHBondContact NE2-OG 3.19Å
177	C	95.3	Very high	94.8	Very high	6 Å²	6	57.6 Å²	57.6	4%	0.041	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	132.2	-176.3	-71.8	0	0	0	0	111	L175 S228 T229 V231 W267	L175-C177 PolarHBondContact O-N 3.05Å; C177-S228 CarbonylContact O-C 3.5Å; C177-S228 WeakPolarHBondContact O-CA 3.42Å; C177-T229 PolarHBondContact N-O 3.36Å; C177-T229 PolarHBondContact O-N 2.75Å; C177-V231 HydrophobicContact CB-CG2 4.11Å; C177-W267 HydrophobicContact CB-CZ2 4.06Å
178	P	96.8	Very high	94.8	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.013	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	142.8	173.7	-26.3	36.1	0	0	0	112.9	L180 C193 L198 W201 P225	P178-L180 HydrophobicContact CB-CD2 4.21Å; P178-C193 HydrophobicContact CB-CB 4.06Å; P178-L198 HydrophobicContact CB-CD1 4.34Å; P178-L198 HydrophobicContact CG-CD1 4.09Å; P178-W201 HydrophobicContact CG-CD2 3.98Å; P178-W201 HydrophobicContact CG-CE3 4.25Å; P178-W201 HydrophobicContact CG-CG 4.16Å; P178-P225 HydrophobicContact CB-CB 4.43Å; P178-P225 HydrophobicContact CG-CB 4.2Å; P178-P225 HydrophobicContact CG-CG 4.09Å
179	V	97.5	Very high	94.7	Very high	46 Å²	46	61.3 Å²	61.3	28%	0.279	33%	0.328	S	S	.	.			trans	-83.5	126	173.3	178	0	0	0	0	109.2	S192 C193 P227	V179-S192 CarbonylContact O-C 3.58Å; V179-S192 WeakPolarHBondContact O-CA 3.36Å; V179-C193 PolarHBondContact O-N 3.09Å; V179-P227 HydrophobicContact CB-CG 4.24Å; V179-P227 WeakPolarHBondContact CB-O 3.34Å; V179-P227 WeakPolarHBondContact CG2-O 3.13Å; V179-P227 PolarHBondContact N-O 3.29Å
180	L	97.6	Very high	94.7	Very high	23 Å²	23	66.7 Å²	66.7	12%	0.12	35%	0.351	C	S	.	.			trans	-120.1	145.5	-173.8	-54.7	-179.3	0	0	0	111.4	P178 C193 L198 W267 V300 F302 W308	P178-L180 HydrophobicContact CB-CD2 4.21Å; L180-C193 HydrophobicContact CD2-CB 4.27Å; L180-L198 HydrophobicContact CD1-CD1 4.12Å; L180-L198 HydrophobicContact CD1-CD2 3.54Å; L180-L198 HydrophobicContact CD1-CG 4.41Å; L180-L198 HydrophobicContact CD2-CB 4.45Å; L180-L198 HydrophobicContact CD2-CD1 4.36Å; L180-L198 HydrophobicContact CD2-CD2 4.28Å; L180-W267 HydrophobicContact CD1-CD2 4.1Å; L180-W267 HydrophobicContact CD1-CG 4.04Å; L180-W267 HydrophobicContact CD1-CZ2 4.43Å; L180-V300 HydrophobicContact CD1-CG1 3.98Å; L180-F302 HydrophobicContact CB-CE1 3.91Å; L180-F302 HydrophobicContact CB-CZ 4.28Å; L180-F302 HydrophobicContact CD1-CE1 4.29Å; L180-F302 HydrophobicContact CD1-CZ 4.3Å; L180-W308 HydrophobicContact CB-CH2 4.15Å; L180-W308 HydrophobicContact CB-CZ3 4.49Å; L180-W308 HydrophobicContact CD1-CZ3 4.05Å; L180-W308 HydrophobicContact CD2-CH2 4.02Å; L180-W308 HydrophobicContact CD2-CZ3 3.89Å; L180-W308 HydrophobicContact CG-CH2 4.46Å; L180-W308 HydrophobicContact CG-CZ3 4.37Å
181	Q	96.8	Very high	94.8	Very high	66 Å²	66	67.7 Å²	67.7	31%	0.308	36%	0.355	S	S	.	.			trans	-117.7	110.9	167.9	-77	-178.9	-6.3	0	0	109.5	S183 E184 T188 W308	Q181-S183 PolarHBondContact O-N 3.46Å; Q181-E184 PolarHBondContact O-N 3.23Å; Q181-T188 PolarHBondContact OE1-OG1 2.79Å; Q181-W308 VanDerWaalsContact O-CZ2 3.28Å; Q181-W308 WeakPolarHBondContact O-CZ2 3.36Å
182	S	96.2	Very high	95	Very high	14 Å²	14	64.8 Å²	64.8	10%	0.098	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47	-36.5	-178.2	172.2	0	0	0	0	113.8	K19 E184 D306 W308	K19-S182 WeakPolarHBondContact CD-O 3.41Å; K19-S182 WeakPolarHBondContact CE-O 3.23Å; S182-E184 PolarHBondContact O-N 3.14Å; S182-D306 WeakPolarHBondContact OG-CB 3.19Å; S182-D306 VanDerWaalsContact OG-CG 3.31Å; S182-D306 PolarHBondContact OG-OD2 3.35Å; S182-W308 PolarHBondContact O-NE1 3.31Å
183	S	95.3	Very high	95.2	Very high	72 Å²	72	63.3 Å²	63.3	50%	0.503	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-22	-178.3	49.9	0	0	0	0	115.8	Q181	Q181-S183 PolarHBondContact O-N 3.46Å
184	E	95.1	Very high	95.4	Very high	89 Å²	89	58.8 Å²	58.8	42%	0.416	31%	0.312	S	S	.	.			trans	-124.7	101.6	-168.2	-64.7	-59.9	162.8	0	0	111.8	Q181 S182 G187 T188	Q181-E184 PolarHBondContact O-N 3.23Å; S182-E184 PolarHBondContact O-N 3.14Å; E184-G187 PolarHBondContact O-N 3.48Å; E184-T188 HydrophobicContact CB-CG2 4.49Å; E184-T188 HydrophobicContact CG-CG2 4.16Å
185	L	94.9	Very high	95.6	Very high	43 Å²	43	53.3 Å²	53.3	23%	0.225	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-34.2	178.7	-68.8	177	0	0	0	113	K19 G187 A195 W308	K19-L185 HydrophobicContact CB-CD1 4.09Å; K19-L185 HydrophobicContact CB-CD2 4.16Å; K19-L185 HydrophobicContact CB-CG 4.19Å; L185-G187 PolarHBondContact O-N 3.24Å; L185-A195 HydrophobicContact CD2-CB 4.09Å; L185-A195 PolarHBondContact O-N 3.23Å; L185-W308 HydrophobicContact CD2-CB 4.34Å; L185-W308 VanDerWaalsContact CD2-CD1 3.46Å; L185-W308 HydrophobicContact CD2-CD2 3.76Å; L185-W308 HydrophobicContact CD2-CG 3.64Å; L185-W308 HydrophobicContact CD2-CZ2 4.26Å
186	E	95.7	Very high	95.7	Very high	127 Å²	127	55.9 Å²	55.9	59%	0.593	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	5.7	179.9	-66.7	-62.1	165.2	0	0	113.1	R194	E186-R194 VanDerWaalsContact O-CG 3.3Å; E186-R194 WeakPolarHBondContact O-CG 3.48Å; E186-R194 IonicContact OE2-CZ 3.39Å; E186-R194 IonicContact OE2-NE 3.87Å; E186-R194 PolarHBondContact OE2-NE 3.47Å; E186-R194 IonicContact OE2-NH2 3.02Å; E186-R194 PolarHBondContact OE2-NH2 2.84Å
187	G	94.2	Very high	95.7	Very high	12 Å²	12	56.4 Å²	56.4	12%	0.124	30%	0.299	C	S	.	.			trans	65.4	172.7	-175.8	0	0	0	0	0	113	E184 L185 S192	E184-G187 PolarHBondContact O-N 3.48Å; L185-G187 PolarHBondContact O-N 3.24Å; G187-S192 WeakPolarHBondContact CA-O 3.18Å
188	T	95.5	Very high	95.8	Very high	37 Å²	37	56.1 Å²	56.1	23%	0.227	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-124.2	123.5	173.2	40	0	0	0	0	107.8	Q181 E184 E190 V191 S192	Q181-T188 PolarHBondContact OE1-OG1 2.79Å; E184-T188 HydrophobicContact CB-CG2 4.49Å; E184-T188 HydrophobicContact CG-CG2 4.16Å; T188-E190 PolarHBondContact O-N 2.68Å; T188-V191 PolarHBondContact O-N 3.2Å; T188-V191 WeakPolarHBondContact OG1-CB 3.33Å; T188-S192 PolarHBondContact N-O 3.31Å; T188-S192 PolarHBondContact N-OG 3.41Å; T188-S192 VanDerWaalsContact N-OG 3.14Å; T188-S192 PolarHBondContact O-N 3.44Å; T188-S192 PolarHBondContact OG1-N 2.68Å; T188-S192 PolarHBondContact OG1-OG 2.87Å
189	P	94.1	Very high	95.7	Very high	123 Å²	123	57.9 Å²	57.9	80%	0.799	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	130.5	-175.9	-28.4	34.6	0	0	0	111.9	V191	P189-V191 PolarHBondContact O-N 2.94Å
190	E	92.5	Very high	95.4	Very high	188 Å²	188	59.7 Å²	59.7	88%	0.879	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	0.6	-179	-54.1	179.2	179.3	0	0	115.9	T188	T188-E190 PolarHBondContact O-N 2.68Å
191	V	95.9	Very high	95.3	Very high	78 Å²	78	58.6 Å²	58.6	47%	0.473	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-40.6	-174.4	177.2	0	0	0	0	112.4	T188 P189 P227	T188-V191 PolarHBondContact O-N 3.2Å; T188-V191 WeakPolarHBondContact OG1-CB 3.33Å; P189-V191 PolarHBondContact O-N 2.94Å; V191-P227 VanDerWaalsContact C-CG 3.46Å; V191-P227 WeakPolarHBondContact O-CG 3.31Å
192	S	96.6	Very high	95.2	Very high	6 Å²	6	55.6 Å²	55.6	4%	0.042	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-152.8	149.6	175.9	64.8	0	0	0	0	112.9	V179 G187 T188	V179-S192 CarbonylContact O-C 3.58Å; V179-S192 WeakPolarHBondContact O-CA 3.36Å; G187-S192 WeakPolarHBondContact CA-O 3.18Å; T188-S192 PolarHBondContact N-O 3.31Å; T188-S192 PolarHBondContact N-OG 3.41Å; T188-S192 VanDerWaalsContact N-OG 3.14Å; T188-S192 PolarHBondContact O-N 3.44Å; T188-S192 PolarHBondContact OG1-N 2.68Å; T188-S192 PolarHBondContact OG1-OG 2.87Å
193	C	97	Very high	95	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.007	31%	0.306	C	S	.	.			trans	-79	160	-179.4	-56.4	0	0	0	0	112.3	P178 V179 L180 P225 E226 P227	P178-C193 HydrophobicContact CB-CB 4.06Å; V179-C193 PolarHBondContact O-N 3.09Å; L180-C193 HydrophobicContact CD2-CB 4.27Å; C193-P225 HydrophobicContact CB-CB 4.32Å; C193-E226 PolarHBondContact SG-O 3.36Å; C193-E226 VanDerWaalsContact SG-O 3.36Å; C193-P227 PolarHBondContact SG-O 3.24Å
194	R	97.3	Very high	94.9	Very high	100 Å²	100	53.7 Å²	53.7	38%	0.377	29%	0.286	S	S	.	.			trans	-76.7	150.1	176.6	-51.1	-177	60.8	-160.4	-1.8	110.4	E186 L196 E197 L198	E186-R194 VanDerWaalsContact O-CG 3.3Å; E186-R194 WeakPolarHBondContact O-CG 3.48Å; E186-R194 IonicContact OE2-CZ 3.39Å; E186-R194 IonicContact OE2-NE 3.87Å; E186-R194 PolarHBondContact OE2-NE 3.47Å; E186-R194 IonicContact OE2-NH2 3.02Å; E186-R194 PolarHBondContact OE2-NH2 2.84Å; R194-L196 PolarHBondContact O-N 2.75Å; R194-E197 HydrophobicContact CB-CB 4.44Å; R194-E197 HydrophobicContact CB-CG 4.02Å; R194-E197 WeakPolarHBondContact CB-OE2 3.2Å; R194-E197 HydrophobicContact CG-CG 4.42Å; R194-E197 WeakPolarHBondContact CG-OE2 2.98Å; R194-E197 PolarHBondContact N-OE2 3.27Å; R194-E197 PolarHBondContact O-N 2.84Å; R194-E197 VanDerWaalsContact O-N 3.14Å; R194-L198 PolarHBondContact O-N 3.31Å
195	A	96.1	Very high	94.8	Very high	2 Å²	2	49.8 Å²	49.8	2%	0.017	27%	0.268	C	S	.	.	H	α-helix	trans	-58.8	-37.2	173.1	0	0	0	0	0	112	C17 L185 E197 L198 F199 W308 Q310	C17-A195 WeakPolarHBondContact SG-CB 3.24Å; L185-A195 HydrophobicContact CD2-CB 4.09Å; L185-A195 PolarHBondContact O-N 3.23Å; A195-E197 PolarHBondContact O-N 3.27Å; A195-L198 PolarHBondContact O-N 3.32Å; A195-F199 PolarHBondContact O-N 3.48Å; A195-W308 HydrophobicContact CB-CD2 4.33Å; A195-W308 HydrophobicContact CB-CE3 3.74Å; A195-W308 HydrophobicContact CB-CH2 4.3Å; A195-W308 HydrophobicContact CB-CZ3 3.74Å; A195-Q310 PolarHBondContact O-NE2 3.28Å
196	L	94.2	Very high	94.6	Very high	78 Å²	78	49.1 Å²	49.1	41%	0.408	26%	0.264	S	S	.	.	H	α-helix	trans	-61.9	-41.1	176.2	178.1	63.2	0	0	0	112.6	L15 R194 L198 F199 D200	L15-L196 HydrophobicContact CD2-CD1 3.36Å; R194-L196 PolarHBondContact O-N 2.75Å; L196-L198 VanDerWaalsContact C-N 3.32Å; L196-L198 PolarHBondContact O-N 3.31Å; L196-F199 WeakPolarHBondContact O-CB 3.24Å; L196-F199 PolarHBondContact O-N 3.11Å; L196-D200 PolarHBondContact O-N 2.97Å
197	E	95.3	Very high	94.2	Very high	71 Å²	71	46.9 Å²	46.9	33%	0.332	26%	0.262	S	S	.	.	H	α-helix	trans	-65.8	-38.5	179.5	-67.2	169.7	149.5	0	0	111.4	R194 A195 F199 D200 W201 P225	R194-E197 HydrophobicContact CB-CB 4.44Å; R194-E197 HydrophobicContact CB-CG 4.02Å; R194-E197 WeakPolarHBondContact CB-OE2 3.2Å; R194-E197 HydrophobicContact CG-CG 4.42Å; R194-E197 WeakPolarHBondContact CG-OE2 2.98Å; R194-E197 PolarHBondContact N-OE2 3.27Å; R194-E197 PolarHBondContact O-N 2.84Å; R194-E197 VanDerWaalsContact O-N 3.14Å; A195-E197 PolarHBondContact O-N 3.27Å; E197-F199 VanDerWaalsContact C-N 3.34Å; E197-D200 PolarHBondContact O-N 2.7Å; E197-W201 WeakPolarHBondContact O-CB 3.31Å; E197-W201 PolarHBondContact O-N 2.87Å; E197-P225 HydrophobicContact CB-CB 3.9Å; E197-P225 HydrophobicContact CB-CG 3.8Å
198	L	96.4	Very high	93.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.8	-38.8	173.6	-177.3	75.4	0	0	0	112	P178 L180 R194 A195 L196 W201 L202 W267 V300 W308	P178-L198 HydrophobicContact CB-CD1 4.34Å; P178-L198 HydrophobicContact CG-CD1 4.09Å; L180-L198 HydrophobicContact CD1-CD1 4.12Å; L180-L198 HydrophobicContact CD1-CD2 3.54Å; L180-L198 HydrophobicContact CD1-CG 4.41Å; L180-L198 HydrophobicContact CD2-CB 4.45Å; L180-L198 HydrophobicContact CD2-CD1 4.36Å; L180-L198 HydrophobicContact CD2-CD2 4.28Å; R194-L198 PolarHBondContact O-N 3.31Å; A195-L198 PolarHBondContact O-N 3.32Å; L196-L198 VanDerWaalsContact C-N 3.32Å; L196-L198 PolarHBondContact O-N 3.31Å; L198-W201 HydrophobicContact CD1-CE3 3.68Å; L198-W201 HydrophobicContact CD1-CZ3 3.94Å; L198-W201 PolarHBondContact O-N 3.18Å; L198-L202 VanDerWaalsContact O-CB 3.26Å; L198-L202 WeakPolarHBondContact O-CB 3.46Å; L198-L202 PolarHBondContact O-N 2.83Å; L198-W267 HydrophobicContact CD1-CH2 4.43Å; L198-W267 HydrophobicContact CD1-CZ2 4.45Å; L198-V300 HydrophobicContact CD2-CB 4.38Å; L198-V300 HydrophobicContact CD2-CG1 3.97Å; L198-V300 HydrophobicContact CD2-CG2 3.53Å; L198-W308 HydrophobicContact CD2-CE3 4.21Å; L198-W308 HydrophobicContact CD2-CZ3 4.11Å
199	F	94.7	Very high	93	Very high	39 Å²	39	54.2 Å²	54.2	17%	0.171	30%	0.3	C	S	.	.	H	α-helix	trans	-58.6	-49	178.4	179.5	-88	0	0	0	111.1	L15 A195 L196 E197 L202 G203 L296 N298 Q310 A312	L15-F199 HydrophobicContact CD1-CD1 4.38Å; L15-F199 HydrophobicContact CD1-CD2 3.93Å; L15-F199 HydrophobicContact CD1-CE1 4.2Å; L15-F199 HydrophobicContact CD1-CE2 3.73Å; L15-F199 HydrophobicContact CD1-CG 4.27Å; L15-F199 HydrophobicContact CD1-CZ 3.89Å; L15-F199 HydrophobicContact CD2-CG 4.4Å; A195-F199 PolarHBondContact O-N 3.48Å; L196-F199 WeakPolarHBondContact O-CB 3.24Å; L196-F199 PolarHBondContact O-N 3.11Å; E197-F199 VanDerWaalsContact C-N 3.34Å; F199-L202 PolarHBondContact O-N 2.86Å; F199-G203 PolarHBondContact O-N 2.9Å; F199-L296 HydrophobicContact CE2-CD2 3.59Å; F199-L296 HydrophobicContact CZ-CD2 3.95Å; F199-N298 WeakPolarHBondContact CD2-ND2 2.97Å; F199-N298 WeakPolarHBondContact CE2-ND2 3.23Å; F199-Q310 HydrophobicContact CD2-CB 3.99Å; F199-A312 HydrophobicContact CE2-CB 4.13Å; F199-A312 HydrophobicContact CZ-CB 3.67Å
200	D	93.1	Very high	91.9	Very high	85 Å²	85	53.4 Å²	53.4	46%	0.455	29%	0.289	S	S	.	.	H	α-helix	trans	-64.4	-43.9	177.9	-69.9	-22.5	0	0	0	111.4	L196 E197 L202 G203 A204	L196-D200 PolarHBondContact O-N 2.97Å; E197-D200 PolarHBondContact O-N 2.7Å; D200-L202 VanDerWaalsContact C-N 3.33Å; D200-L202 PolarHBondContact O-N 3.34Å; D200-G203 PolarHBondContact O-N 3.47Å; D200-A204 PolarHBondContact O-N 2.75Å
201	W	95.4	Very high	91	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.6	-41.1	-179.1	171.4	84.4	0	0	0	111.9	L175 Q176 P178 E197 L198 G203 A204 V205 Y222 P225 W267	L175-W201 HydrophobicContact CD1-CZ2 4.16Å; L175-W201 HydrophobicContact CD2-CH2 4.18Å; L175-W201 HydrophobicContact CD2-CZ2 4.09Å; L175-W201 HydrophobicContact CG-CZ2 4.11Å; Q176-W201 VanDerWaalsContact O-CZ2 3.22Å; Q176-W201 WeakPolarHBondContact O-CZ2 3.35Å; Q176-W201 PolarHBondContact O-NE1 2.68Å; P178-W201 HydrophobicContact CG-CD2 3.98Å; P178-W201 HydrophobicContact CG-CE3 4.25Å; P178-W201 HydrophobicContact CG-CG 4.16Å; E197-W201 WeakPolarHBondContact O-CB 3.31Å; E197-W201 PolarHBondContact O-N 2.87Å; L198-W201 HydrophobicContact CD1-CE3 3.68Å; L198-W201 HydrophobicContact CD1-CZ3 3.94Å; L198-W201 PolarHBondContact O-N 3.18Å; W201-G203 VanDerWaalsContact C-N 3.27Å; W201-G203 PolarHBondContact O-N 2.81Å; W201-A204 WeakPolarHBondContact O-CB 3.35Å; W201-A204 PolarHBondContact O-N 3.05Å; W201-A204 VanDerWaalsContact O-N 3.1Å; W201-V205 HydrophobicContact CD2-CG2 3.93Å; W201-V205 HydrophobicContact CE3-CG2 4.32Å; W201-V205 HydrophobicContact CH2-CG2 4.03Å; W201-V205 HydrophobicContact CZ2-CG2 3.59Å; W201-V205 HydrophobicContact CZ3-CG2 4.36Å; W201-V205 WeakPolarHBondContact O-CG2 3.47Å; W201-V205 PolarHBondContact O-N 3.32Å; W201-Y222 WeakPolarHBondContact CA-OH 3.22Å; W201-Y222 PolarHBondContact N-OH 3.21Å; W201-P225 HydrophobicContact CB-CG 4.09Å; W201-W267 AromaticContact CH2-CH2 3.88Å; W201-W267 HydrophobicContact CH2-CH2 3.88Å; W201-W267 AromaticContact CZ3-CH2 3.75Å; W201-W267 HydrophobicContact CZ3-CH2 3.75Å
202	L	94.9	Very high	89.8	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-62.9	-37.2	179.2	-170.7	62.3	0	0	0	111.6	L198 F199 D200 A204 V205 F206 T269 S271	L198-L202 VanDerWaalsContact O-CB 3.26Å; L198-L202 WeakPolarHBondContact O-CB 3.46Å; L198-L202 PolarHBondContact O-N 2.83Å; F199-L202 PolarHBondContact O-N 2.86Å; D200-L202 VanDerWaalsContact C-N 3.33Å; D200-L202 PolarHBondContact O-N 3.34Å; L202-A204 VanDerWaalsContact C-N 3.34Å; L202-A204 PolarHBondContact O-N 3.2Å; L202-V205 PolarHBondContact O-N 2.96Å; L202-F206 HydrophobicContact CD1-CD1 4.41Å; L202-F206 HydrophobicContact CD1-CD2 4.44Å; L202-F206 HydrophobicContact CD1-CE1 3.78Å; L202-F206 HydrophobicContact CD1-CE2 3.8Å; L202-F206 HydrophobicContact CD1-CZ 3.45Å; L202-F206 VanDerWaalsContact CD1-CZ 3.45Å; L202-F206 HydrophobicContact CD2-CE2 3.74Å; L202-F206 HydrophobicContact CD2-CZ 3.92Å; L202-F206 HydrophobicContact CG-CD2 3.98Å; L202-F206 HydrophobicContact CG-CE1 4.31Å; L202-F206 HydrophobicContact CG-CE2 3.39Å; L202-F206 HydrophobicContact CG-CZ 3.6Å; L202-F206 WeakPolarHBondContact O-CD2 3.49Å; L202-F206 WeakPolarHBondContact O-CG 3.42Å; L202-F206 PolarHBondContact O-N 3.03Å; L202-T269 HydrophobicContact CD1-CG2 4.31Å; L202-T269 HydrophobicContact CD2-CG2 4.25Å; L202-S271 VanDerWaalsContact CD2-OG 3.26Å; L202-S271 WeakPolarHBondContact CD2-OG 3.31Å
203	G	91.9	Very high	88.5	Confident	36 Å²	36	50.4 Å²	50.4	37%	0.371	28%	0.275	S	S	.	.	H	α-helix	trans	-60.6	-40.9	173	0	0	0	0	0	113	F199 D200 W201 S207	F199-G203 PolarHBondContact O-N 2.9Å; D200-G203 PolarHBondContact O-N 3.47Å; W201-G203 VanDerWaalsContact C-N 3.27Å; W201-G203 PolarHBondContact O-N 2.81Å; G203-S207 WeakPolarHBondContact O-CB 3.5Å; G203-S207 PolarHBondContact O-N 3.43Å; G203-S207 VanDerWaalsContact O-N 3.15Å; G203-S207 PolarHBondContact O-OG 2.8Å
204	A	91.9	Very high	87.1	Confident	10 Å²	10	56.3 Å²	56.3	8%	0.083	30%	0.303	C	S	.	.	H	α-helix	trans	-66.3	-43.4	175.8	0	0	0	0	0	111.9	D200 W201 L202 S207 N208 V209 L211 Y222	D200-A204 PolarHBondContact O-N 2.75Å; W201-A204 WeakPolarHBondContact O-CB 3.35Å; W201-A204 PolarHBondContact O-N 3.05Å; W201-A204 VanDerWaalsContact O-N 3.1Å; L202-A204 VanDerWaalsContact C-N 3.34Å; L202-A204 PolarHBondContact O-N 3.2Å; A204-S207 CarbonylContact O-C 3.52Å; A204-S207 PolarHBondContact O-N 2.89Å; A204-N208 PolarHBondContact O-N 3.18Å; A204-V209 HydrophobicContact CB-CB 4.14Å; A204-V209 HydrophobicContact CB-CG2 4.49Å; A204-V209 WeakPolarHBondContact O-CB 3.43Å; A204-V209 PolarHBondContact O-N 3.27Å; A204-L211 HydrophobicContact CB-CD2 4.01Å; A204-Y222 HydrophobicContact CB-CD1 4.2Å; A204-Y222 HydrophobicContact CB-CE1 3.68Å
205	V	92.4	Very high	85.6	Confident	7 Å²	7	56.7 Å²	56.7	4%	0.042	32%	0.318	C	S	.	.	H	α-helix	trans	-62.7	-46.7	178	175.3	0	0	0	0	111.7	L45 L172 L175 W201 L202 S207 N208	L45-V205 HydrophobicContact CD1-CG1 3.51Å; L172-V205 HydrophobicContact CD1-CG1 3.63Å; L175-V205 HydrophobicContact CD1-CG2 4.2Å; L175-V205 HydrophobicContact CD2-CG1 4.46Å; W201-V205 HydrophobicContact CD2-CG2 3.93Å; W201-V205 HydrophobicContact CE3-CG2 4.32Å; W201-V205 HydrophobicContact CH2-CG2 4.03Å; W201-V205 HydrophobicContact CZ2-CG2 3.59Å; W201-V205 HydrophobicContact CZ3-CG2 4.36Å; W201-V205 WeakPolarHBondContact O-CG2 3.47Å; W201-V205 PolarHBondContact O-N 3.32Å; L202-V205 PolarHBondContact O-N 2.96Å; V205-S207 PolarHBondContact O-N 2.88Å; V205-N208 PolarHBondContact O-N 2.9Å
206	F	90.8	Very high	84.1	Confident	30 Å²	30	61.9 Å²	61.9	13%	0.132	35%	0.346	C	S	.	.	H	α-helix	trans	-65.8	-23.2	176.9	-66.4	-26.9	0	0	0	113.7	L45 L202 N208 L236 S271	L45-F206 HydrophobicContact CB-CE1 4.3Å; L202-F206 HydrophobicContact CD1-CD1 4.41Å; L202-F206 HydrophobicContact CD1-CD2 4.44Å; L202-F206 HydrophobicContact CD1-CE1 3.78Å; L202-F206 HydrophobicContact CD1-CE2 3.8Å; L202-F206 HydrophobicContact CD1-CZ 3.45Å; L202-F206 VanDerWaalsContact CD1-CZ 3.45Å; L202-F206 HydrophobicContact CD2-CE2 3.74Å; L202-F206 HydrophobicContact CD2-CZ 3.92Å; L202-F206 HydrophobicContact CG-CD2 3.98Å; L202-F206 HydrophobicContact CG-CE1 4.31Å; L202-F206 HydrophobicContact CG-CE2 3.39Å; L202-F206 HydrophobicContact CG-CZ 3.6Å; L202-F206 WeakPolarHBondContact O-CD2 3.49Å; L202-F206 WeakPolarHBondContact O-CG 3.42Å; L202-F206 PolarHBondContact O-N 3.03Å; F206-N208 VanDerWaalsContact C-N 3.29Å; F206-L236 HydrophobicContact CD1-CD1 3.41Å; F206-L236 VanDerWaalsContact CD1-CD1 3.41Å; F206-L236 HydrophobicContact CD1-CD2 4.44Å; F206-L236 HydrophobicContact CE1-CD1 3.42Å; F206-L236 VanDerWaalsContact CE1-CD1 3.42Å; F206-S271 VanDerWaalsContact CE2-CB 3.4Å; F206-S271 VanDerWaalsContact CE2-OG 3.31Å; F206-S271 WeakPolarHBondContact CE2-OG 3.33Å
207	S	87.3	Confident	83.3	Confident	79 Å²	79	66.7 Å²	66.7	55%	0.552	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	4.1	175.9	-55.4	0	0	0	0	112.8	G203 A204 V205 V209	G203-S207 WeakPolarHBondContact O-CB 3.5Å; G203-S207 PolarHBondContact O-N 3.43Å; G203-S207 VanDerWaalsContact O-N 3.15Å; G203-S207 PolarHBondContact O-OG 2.8Å; A204-S207 CarbonylContact O-C 3.52Å; A204-S207 PolarHBondContact O-N 2.89Å; V205-S207 PolarHBondContact O-N 2.88Å; S207-V209 PolarHBondContact O-N 3.36Å
208	N	83.8	Confident	82.3	Confident	133 Å²	133	70.6 Å²	70.6	71%	0.711	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	40	-177.7	-165.4	54.6	0	0	0	112.7	A204 V205 F206	A204-N208 PolarHBondContact O-N 3.18Å; V205-N208 PolarHBondContact O-N 2.9Å; F206-N208 VanDerWaalsContact C-N 3.29Å
209	V	82.2	Confident	81.2	Confident	71 Å²	71	76.5 Å²	76.5	43%	0.43	42%	0.418	S	S	.	.			trans	-80.3	131.6	177.8	177.5	0	0	0	0	109.4	A204 S207 L211	A204-V209 HydrophobicContact CB-CB 4.14Å; A204-V209 HydrophobicContact CB-CG2 4.49Å; A204-V209 WeakPolarHBondContact O-CB 3.43Å; A204-V209 PolarHBondContact O-N 3.27Å; S207-V209 PolarHBondContact O-N 3.36Å; V209-L211 HydrophobicContact CG1-CD2 4.23Å
210	D	70.8	Confident	80.3	Confident	106 Å²	106	76.2 Å²	76.2	57%	0.567	42%	0.421	S	S	*	.			trans	-75.7	122.1	170.8	-170.6	2.5	0	0	0	110	N212	D210-N212 WeakPolarHBondContact OD1-CB 3.43Å; D210-N212 VanDerWaalsContact OD1-CG 3.25Å; D210-N212 PolarHBondContact OD1-N 2.75Å; D210-N212 VanDerWaalsContact OD1-N 3.11Å; D210-N212 PolarHBondContact OD1-ND2 2.86Å
211	L	73	Confident	79.7	Confident	26 Å²	26	78.1 Å²	78.1	14%	0.136	44%	0.436	C	S	.	.			trans	-95.4	5.5	-177	-59.4	-179.4	0	0	0	112.7	A204 V209 N213 Y222	A204-L211 HydrophobicContact CB-CD2 4.01Å; V209-L211 HydrophobicContact CG1-CD2 4.23Å; L211-N213 PolarHBondContact O-N 3.18Å; L211-Y222 HydrophobicContact CD2-CD1 3.35Å; L211-Y222 HydrophobicContact CD2-CE1 3.63Å
212	N	71.3	Confident	79.2	Confident	95 Å²	95	81.9 Å²	81.9	51%	0.508	45%	0.45	S	S	.	.			trans	-73.4	121.1	178.2	-65.5	-43.8	0	0	0	110.6	D210 E214	D210-N212 WeakPolarHBondContact OD1-CB 3.43Å; D210-N212 VanDerWaalsContact OD1-CG 3.25Å; D210-N212 PolarHBondContact OD1-N 2.75Å; D210-N212 VanDerWaalsContact OD1-N 3.11Å; D210-N212 PolarHBondContact OD1-ND2 2.86Å; N212-E214 HydrophobicContact CB-CG 4.16Å; N212-E214 PolarHBondContact O-N 3.35Å
213	N	68.9	Low	78.7	Confident	88 Å²	88	84.4 Å²	84.4	47%	0.471	47%	0.468	S	S	.	.			trans	-82.4	59.3	175.6	-166.1	-4.5	0	0	0	110.5	L211 P215 S220	L211-N213 PolarHBondContact O-N 3.18Å; N213-P215 WeakPolarHBondContact O-CD 3.39Å; N213-S220 PolarHBondContact OD1-O 3.14Å
214	E	68.3	Low	78.6	Confident	125 Å²	125	83.1 Å²	83.1	58%	0.584	45%	0.453	S	S	*	.			trans	-80.9	120.9	177.8	-73.5	-65.9	160.3	0	0	110	N212 N216	N212-E214 HydrophobicContact CB-CG 4.16Å; N212-E214 PolarHBondContact O-N 3.35Å; E214-N216 PolarHBondContact O-N 3.05Å
215	P	64.6	Low	78.8	Confident	107 Å²	107	83.3 Å²	83.3	70%	0.695	45%	0.453	S	S	*	.			trans	-73.3	90.3	-179.6	29.7	-33.2	0	0	0	110.4	N213	N213-P215 WeakPolarHBondContact O-CD 3.39Å
216	N	66.1	Low	78.8	Confident	112 Å²	112	88.7 Å²	88.7	60%	0.599	48%	0.478	S	S	*	.	S	Bend	trans	-107.1	-156.7	171.9	-76.4	-49.2	0	0	0	110.8	E214 F218	E214-N216 PolarHBondContact O-N 3.05Å; N216-F218 PolarHBondContact O-N 3.4Å; N216-F218 VanDerWaalsContact O-N 3.16Å
217	N	77.2	Confident	79.1	Confident	178 Å²	178	88.9 Å²	88.9	95%	0.952	48%	0.482	S	S	*	.	S	Bend	trans	-66.4	-7.5	174.3	-66	-28	0	0	0	113.9
218	F	73.7	Confident	79.5	Confident	154 Å²	154	86.4 Å²	86.4	68%	0.675	47%	0.465	S	S	*	.	S	Bend	trans	-138.4	149.1	172.2	62.7	-88.5	0	0	0	108.9	N216	N216-F218 PolarHBondContact O-N 3.4Å; N216-F218 VanDerWaalsContact O-N 3.16Å
219	I	72.8	Confident	80	Confident	124 Å²	124	83.9 Å²	83.9	64%	0.636	45%	0.454	S	S	*	.			trans	-107.4	118.4	179.2	-59.3	174.2	0	0	0	107.8	T221	I219-T221 HydrophobicContact CG2-CG2 3.97Å
220	S	75.5	Confident	80.6	Confident	33 Å²	33	85 Å²	85	23%	0.231	46%	0.461	C	S	.	.			trans	-83.8	110.4	165	-174.9	0	0	0	0	108.4	N213	N213-S220 PolarHBondContact OD1-O 3.14Å
221	T	81.6	Confident	81.7	Confident	124 Å²	124	80.2 Å²	80.2	76%	0.761	44%	0.436	S	S	*	.			trans	-86.1	-9.8	-178.8	56.2	0	0	0	0	113.3	I219	I219-T221 HydrophobicContact CG2-CG2 3.97Å
222	Y	83.4	Confident	82.7	Confident	79 Å²	79	82 Å²	82	31%	0.31	45%	0.454	S	S	.	.			trans	-86.5	121.1	179.9	-171	-106.5	0	0	0	109.9	W201 A204 L211	W201-Y222 WeakPolarHBondContact CA-OH 3.22Å; W201-Y222 PolarHBondContact N-OH 3.21Å; A204-Y222 HydrophobicContact CB-CD1 4.2Å; A204-Y222 HydrophobicContact CB-CE1 3.68Å; L211-Y222 HydrophobicContact CD2-CD1 3.35Å; L211-Y222 HydrophobicContact CD2-CE1 3.63Å
223	C	84.6	Confident	83.7	Confident	56 Å²	56	82.6 Å²	82.6	38%	0.378	45%	0.452	S	S	.	.			trans	-120.3	161.5	-176.1	-60.7	0	0	0	0	110.2
224	C	91.2	Very high	85	Confident	8 Å²	8	78.4 Å²	78.4	5%	0.054	43%	0.43	C	S	.	.			trans	-60.6	136	169.8	-169.9	0	0	0	0	110.4	Q176	Q176-C224 HydrophobicContact CB-CB 4.16Å; Q176-C224 HydrophobicContact CG-CB 3.88Å; Q176-C224 PolarHBondContact O-SG 3.49Å
225	P	94.4	Very high	86.3	Confident	15 Å²	15	73.3 Å²	73.3	10%	0.097	41%	0.405	C	S	.	.			trans	-58.3	139.2	172.3	-24.6	33.1	0	0	0	112.5	P178 C193 E197 W201 S228	P178-P225 HydrophobicContact CB-CB 4.43Å; P178-P225 HydrophobicContact CG-CB 4.2Å; P178-P225 HydrophobicContact CG-CG 4.09Å; C193-P225 HydrophobicContact CB-CB 4.32Å; E197-P225 HydrophobicContact CB-CB 3.9Å; E197-P225 HydrophobicContact CB-CG 3.8Å; W201-P225 HydrophobicContact CB-CG 4.09Å; P225-S228 WeakPolarHBondContact O-CB 3.44Å
226	E	93.3	Very high	87.7	Confident	120 Å²	120	68.9 Å²	68.9	56%	0.561	38%	0.376	S	S	*	.	S	Bend	trans	-106.3	146.6	177.5	-66	-64.1	171.2	0	0	111.5	Q176 C193 S228	Q176-E226 PolarHBondContact NE2-OE1 3.25Å; C193-E226 PolarHBondContact SG-O 3.36Å; C193-E226 VanDerWaalsContact SG-O 3.36Å; E226-S228 VanDerWaalsContact CD-OG 3.27Å; E226-S228 PolarHBondContact OE1-OG 2.84Å; E226-S228 PolarHBondContact OE2-N 2.83Å; E226-S228 PolarHBondContact OE2-OG 2.91Å
227	P	96.6	Very high	89.2	Confident	34 Å²	34	63.5 Å²	63.5	22%	0.221	35%	0.347	C	S	.	.	S	Bend	cis	-76.2	145.6	1	30.1	-33.3	0	0	0	113.2	V179 V191 C193	V179-P227 HydrophobicContact CB-CG 4.24Å; V179-P227 WeakPolarHBondContact CB-O 3.34Å; V179-P227 WeakPolarHBondContact CG2-O 3.13Å; V179-P227 PolarHBondContact N-O 3.29Å; V191-P227 VanDerWaalsContact C-CG 3.46Å; V191-P227 WeakPolarHBondContact O-CG 3.31Å; C193-P227 PolarHBondContact SG-O 3.24Å
228	S	95.4	Very high	90.1	Very high	27 Å²	27	56.1 Å²	56.1	19%	0.189	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	161.6	-176.9	63.5	0	0	0	0	113.5	Q176 C177 P225 E226	Q176-S228 WeakPolarHBondContact CG-OG 3.18Å; Q176-S228 PolarHBondContact NE2-OG 3.19Å; C177-S228 CarbonylContact O-C 3.5Å; C177-S228 WeakPolarHBondContact O-CA 3.42Å; P225-S228 WeakPolarHBondContact O-CB 3.44Å; E226-S228 VanDerWaalsContact CD-OG 3.27Å; E226-S228 PolarHBondContact OE1-OG 2.84Å; E226-S228 PolarHBondContact OE2-N 2.83Å; E226-S228 PolarHBondContact OE2-OG 2.91Å
229	T	95	Very high	91.3	Very high	79 Å²	79	48.9 Å²	48.9	49%	0.485	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	134.1	177	-57.9	0	0	0	0	110	C177 V231	C177-T229 PolarHBondContact N-O 3.36Å; C177-T229 PolarHBondContact O-N 2.75Å; T229-V231 PolarHBondContact O-N 3.44Å
230	V	94.6	Very high	92.5	Very high	94 Å²	94	44.5 Å²	44.5	57%	0.57	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	122.3	175.6	-178	0	0	0	0	110	D174	D174-V230 HydrophobicContact CB-CG1 4.34Å
231	V	94.3	Very high	93.4	Very high	7 Å²	7	43.2 Å²	43.2	4%	0.042	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	121	177.8	166.7	0	0	0	0	109.2	P47 E48 D174 L175 C177 T229 K233	P47-V231 HydrophobicContact CB-CG1 4.15Å; P47-V231 HydrophobicContact CB-CG2 4.31Å; E48-V231 HydrophobicContact CB-CG1 4.42Å; E48-V231 HydrophobicContact CG-CB 4.38Å; E48-V231 HydrophobicContact CG-CG1 3.56Å; E48-V231 HydrophobicContact CG-CG2 4.15Å; E48-V231 VanDerWaalsContact N-CG1 3.29Å; D174-V231 CarbonylContact C-O 3.51Å; D174-V231 WeakPolarHBondContact CA-O 3.42Å; D174-V231 PolarHBondContact N-O 2.59Å; L175-V231 PolarHBondContact N-O 3.05Å; L175-V231 PolarHBondContact O-N 2.89Å; C177-V231 HydrophobicContact CB-CG2 4.11Å; T229-V231 PolarHBondContact O-N 3.44Å; V231-K233 VanDerWaalsContact C-N 3.28Å; V231-K233 WeakPolarHBondContact CG1-O 3.45Å; V231-K233 PolarHBondContact O-N 3.42Å
232	A	93.1	Very high	94.1	Very high	63 Å²	63	39.1 Å²	39.1	52%	0.521	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	-34.9	-174.8	0	0	0	0	0	113.7	R173 D174	R173-A232 WeakPolarHBondContact CA-O 3.49Å; D174-A232 PolarHBondContact N-O 2.69Å; D174-A232 VanDerWaalsContact N-O 3.13Å
233	K	93.9	Very high	94.7	Very high	108 Å²	108	35.5 Å²	35.5	47%	0.47	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	128.4	179.4	-64.8	178.9	-174.2	172	0	110.2	E48 C49 T171 L172 V231	E48-K233 WeakPolarHBondContact CA-O 3.32Å; E48-K233 PolarHBondContact N-O 3.1Å; C49-K233 PolarHBondContact N-O 3.06Å; T171-K233 HydrophobicContact CG2-CB 4.37Å; L172-K233 CarbonylContact O-C 3.58Å; L172-K233 WeakPolarHBondContact O-CA 3.47Å; V231-K233 VanDerWaalsContact C-N 3.28Å; V231-K233 WeakPolarHBondContact CG1-O 3.45Å; V231-K233 PolarHBondContact O-N 3.42Å
234	A	94.6	Very high	95.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.2	169.3	0	0	0	0	0	109.6	T171 L172 L175	T171-A234 CarbonylContact C-O 3.19Å; T171-A234 WeakPolarHBondContact CA-O 3.08Å; L172-A234 HydrophobicContact CB-CB 4.33Å; L172-A234 PolarHBondContact N-O 2.65Å; L172-A234 PolarHBondContact O-N 2.83Å; L175-A234 HydrophobicContact CB-CB 4.28Å; L175-A234 HydrophobicContact CD2-CB 3.58Å
235	Y	95.6	Very high	95.4	Very high	17 Å²	17	35.1 Å²	35.1	7%	0.067	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	123.7	178.5	-163.1	-91.9	0	0	0	109.6	F44 L45 I46 L52 L169 C237	F44-Y235 HydrophobicContact CE2-CD1 4.34Å; L45-Y235 VanDerWaalsContact CA-O 3.31Å; L45-Y235 WeakPolarHBondContact CA-O 3.47Å; I46-Y235 PolarHBondContact N-O 3.41Å; I46-Y235 PolarHBondContact O-N 3.43Å; L52-Y235 HydrophobicContact CB-CE1 4.07Å; L52-Y235 HydrophobicContact CB-CE2 4.34Å; L52-Y235 HydrophobicContact CD1-CD1 3.84Å; L52-Y235 HydrophobicContact CD1-CE1 3.82Å; L52-Y235 HydrophobicContact CD2-CE1 3.71Å; L52-Y235 HydrophobicContact CG-CE1 4.1Å; L169-Y235 WeakPolarHBondContact CD1-OH 3.14Å; L169-Y235 HydrophobicContact CD2-CE1 4.13Å; L169-Y235 WeakPolarHBondContact CD2-OH 3.46Å; Y235-C237 HydrophobicContact CE1-CB 4.23Å
236	L	95.8	Very high	95.4	Very high	14 Å²	14	37.7 Å²	37.7	7%	0.073	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125.5	177.8	174	60.9	0	0	0	109.3	L45 S170 L172 F206	L45-L236 HydrophobicContact CB-CD1 4.49Å; S170-L236 PolarHBondContact N-O 2.89Å; S170-L236 PolarHBondContact O-N 3.36Å; S170-L236 VanDerWaalsContact O-O 3.12Å; L172-L236 HydrophobicContact CD1-CB 4.41Å; L172-L236 HydrophobicContact CD1-CD2 4.29Å; F206-L236 HydrophobicContact CD1-CD1 3.41Å; F206-L236 VanDerWaalsContact CD1-CD1 3.41Å; F206-L236 HydrophobicContact CD1-CD2 4.44Å; F206-L236 HydrophobicContact CE1-CD1 3.42Å; F206-L236 VanDerWaalsContact CE1-CD1 3.42Å
237	C	96.3	Very high	95.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.4	172.9	175.8	0	0	0	0	109.6	S43 F44 A168 L169 Y235	S43-C237 CarbonylContact C-O 3.55Å; S43-C237 WeakPolarHBondContact CA-O 3.45Å; S43-C237 WeakPolarHBondContact CB-O 3.3Å; F44-C237 HydrophobicContact CD1-CB 3.91Å; F44-C237 HydrophobicContact CD2-CB 4.1Å; F44-C237 HydrophobicContact CE1-CB 3.41Å; F44-C237 VanDerWaalsContact CE1-CB 3.41Å; F44-C237 WeakPolarHBondContact CE1-SG 3.44Å; F44-C237 HydrophobicContact CE2-CB 3.62Å; F44-C237 HydrophobicContact CG-CB 4.24Å; F44-C237 HydrophobicContact CZ-CB 3.25Å; F44-C237 PolarHBondContact N-O 2.85Å; F44-C237 PolarHBondContact O-N 2.93Å; A168-C237 WeakPolarHBondContact O-CA 3.48Å; L169-C237 HydrophobicContact CD2-CB 3.77Å; L169-C237 WeakPolarHBondContact CD2-SG 3.5Å; Y235-C237 HydrophobicContact CE1-CB 4.23Å
238	T	97.2	Very high	95.5	Very high	23 Å²	23	33.2 Å²	33.2	14%	0.141	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	124.2	172.8	-62.8	0	0	0	0	109.8	R41 V42 S43 A168	R41-T238 HydrophobicContact CG-CG2 3.76Å; V42-T238 WeakPolarHBondContact O-CA 3.5Å; S43-T238 WeakPolarHBondContact OG-CG2 3.27Å; S43-T238 PolarHBondContact OG-OG1 3.25Å; A168-T238 PolarHBondContact N-O 2.79Å; A168-T238 PolarHBondContact O-N 3.35Å
239	I	97.8	Very high	95.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	125.7	176	-47	177.2	0	0	0	107.2	R41 V42 V60 T63 P165 K166 V167 I243	R41-I239 WeakPolarHBondContact CA-O 3.31Å; V42-I239 HydrophobicContact CB-CB 4.39Å; V42-I239 PolarHBondContact N-O 3.47Å; V42-I239 PolarHBondContact O-N 3.07Å; V60-I239 HydrophobicContact CB-CD1 4.3Å; V60-I239 HydrophobicContact CG1-CD1 3.87Å; V60-I239 HydrophobicContact CG1-CG1 4.06Å; V60-I239 HydrophobicContact CG2-CD1 4.17Å; T63-I239 HydrophobicContact CG2-CD1 3.87Å; P165-I239 HydrophobicContact CB-CG2 3.72Å; K166-I239 CarbonylContact O-C 3.59Å; K166-I239 WeakPolarHBondContact O-CA 3.12Å; V167-I239 HydrophobicContact CG2-CG2 4.44Å; I239-I243 HydrophobicContact CG2-CD1 3.73Å; I239-I243 HydrophobicContact CG2-CG1 4.46Å
240	T	97.4	Very high	95.6	Very high	32 Å²	32	32.7 Å²	32.7	20%	0.196	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	123.2	-177.9	-50.1	0	0	0	0	110.3	Y40 P165 K166	Y40-T240 HydrophobicContact CD2-CG2 4.47Å; Y40-T240 HydrophobicContact CE1-CG2 3.9Å; Y40-T240 HydrophobicContact CE2-CG2 3.77Å; Y40-T240 VanDerWaalsContact CZ-CG2 3.44Å; Y40-T240 WeakPolarHBondContact O-CA 3.35Å; Y40-T240 WeakPolarHBondContact OH-CG2 3.42Å; P165-T240 CarbonylContact C-O 3.55Å; P165-T240 WeakPolarHBondContact CA-O 3.26Å; K166-T240 PolarHBondContact N-O 3.36Å; K166-T240 PolarHBondContact O-N 3.35Å
241	G	96.4	Very high	95.8	Very high	6 Å²	6	28.4 Å²	28.4	6%	0.062	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.3	-154.6	-177.7	0	0	0	0	0	111.2	Y40	Y40-G241 CarbonylContact C-O 3.55Å; Y40-G241 VanDerWaalsContact CA-O 3.28Å; Y40-G241 WeakPolarHBondContact CA-O 3.34Å; Y40-G241 WeakPolarHBondContact CD2-O 3.45Å; Y40-G241 PolarHBondContact O-N 3.21Å
242	F	95.8	Very high	96	Very high	38 Å²	38	28.3 Å²	28.3	17%	0.167	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	97.2	170.1	-170.7	-104.2	0	0	0	108.8	Y38 Y66 L95 F275	Y38-F242 AromaticContact CD1-CE2 3.74Å; Y38-F242 HydrophobicContact CD1-CE2 3.74Å; Y38-F242 AromaticContact CD1-CZ 3.74Å; Y38-F242 HydrophobicContact CD1-CZ 3.74Å; Y38-F242 HydrophobicContact CE1-CE2 4.43Å; Y38-F242 HydrophobicContact CE1-CZ 4.11Å; Y66-F242 HydrophobicContact CD1-CB 4.24Å; Y66-F242 HydrophobicContact CD2-CB 3.95Å; Y66-F242 HydrophobicContact CG-CB 3.73Å; L95-F242 HydrophobicContact CB-CE2 4.2Å; F242-F275 AromaticContact CD2-CE2 3.59Å; F242-F275 HydrophobicContact CD2-CE2 3.59Å; F242-F275 AromaticContact CD2-CZ 3.67Å; F242-F275 HydrophobicContact CD2-CZ 3.67Å; F242-F275 HydrophobicContact CE2-CE2 4.03Å; F242-F275 HydrophobicContact CE2-CZ 4.44Å
243	I	96.4	Very high	96.1	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.015	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.7	-168.4	-44.8	-58.6	0	0	0	110.6	N39 V42 P165 I239 I248	N39-I243 HydrophobicContact CB-CB 4.12Å; N39-I243 WeakPolarHBondContact CB-O 3.36Å; N39-I243 PolarHBondContact ND2-O 2.94Å; N39-I243 PolarHBondContact O-N 2.54Å; V42-I243 HydrophobicContact CG2-CB 4.29Å; V42-I243 HydrophobicContact CG2-CG1 4.24Å; V42-I243 HydrophobicContact CG2-CG2 4.15Å; P165-I243 HydrophobicContact CB-CD1 3.77Å; P165-I243 HydrophobicContact CG-CD1 3.69Å; I239-I243 HydrophobicContact CG2-CD1 3.73Å; I239-I243 HydrophobicContact CG2-CG1 4.46Å; I243-I248 HydrophobicContact CG2-CD1 4.22Å; I243-I248 HydrophobicContact CG2-CG1 3.94Å
244	L	94.8	Very high	96.2	Very high	57 Å²	57	24.5 Å²	24.5	30%	0.298	12%	0.123	S	C	.	.			trans	-72.9	136	178	-64.9	-177.8	0	0	0	111.2	Y93 E246 K247 I248	Y93-L244 HydrophobicContact CD2-CD2 3.54Å; Y93-L244 HydrophobicContact CE2-CD2 3.82Å; Y93-L244 HydrophobicContact CG-CD2 4.09Å; L244-E246 PolarHBondContact O-N 3.47Å; L244-K247 HydrophobicContact CB-CG 4.21Å; L244-K247 WeakPolarHBondContact O-CB 2.76Å; L244-K247 PolarHBondContact O-N 2.91Å; L244-I248 PolarHBondContact O-N 2.89Å
245	P	94.6	Very high	96.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61	-28.9	179.2	23.8	-32.3	0	0	0	112.7	V33 Y93 K247 I248 C249	V33-P245 VanDerWaalsContact O-CB 3.24Å; V33-P245 WeakPolarHBondContact O-CB 3.15Å; Y93-P245 HydrophobicContact CE1-CG 4.33Å; P245-K247 VanDerWaalsContact C-N 3.3Å; P245-K247 PolarHBondContact O-N 2.96Å; P245-I248 WeakPolarHBondContact O-CB 2.95Å; P245-I248 PolarHBondContact O-N 3.39Å; P245-I248 VanDerWaalsContact O-N 3.14Å; P245-C249 PolarHBondContact O-N 2.76Å; P245-C249 PolarHBondContact O-SG 3.13Å
246	E	94.1	Very high	96.3	Very high	68 Å²	68	24.7 Å²	24.7	32%	0.318	13%	0.127	S	C	.	.	H	α-helix	trans	-62.2	-37.2	175.6	-63	80.9	-178	0	0	112	Y93 L244 I248 C249 L250	Y93-E246 PolarHBondContact OH-OE1 3.38Å; Y93-E246 PolarHBondContact OH-OE2 3.02Å; L244-E246 PolarHBondContact O-N 3.47Å; E246-I248 VanDerWaalsContact C-N 3.33Å; E246-C249 WeakPolarHBondContact O-CB 3.45Å; E246-C249 PolarHBondContact O-N 3.23Å; E246-L250 PolarHBondContact O-N 3.31Å
247	K	95.8	Very high	96.3	Very high	59 Å²	59	29.3 Å²	29.3	26%	0.257	15%	0.148	S	C	.	.	H	α-helix	trans	-69.2	-34.6	175.3	-62.4	-70.3	-175.7	159.3	0	111.3	N62 L244 P245 L250 L251	N62-K247 WeakPolarHBondContact O-CE 3.49Å; N62-K247 PolarHBondContact O-NZ 2.85Å; L244-K247 HydrophobicContact CB-CG 4.21Å; L244-K247 WeakPolarHBondContact O-CB 2.76Å; L244-K247 PolarHBondContact O-N 2.91Å; P245-K247 VanDerWaalsContact C-N 3.3Å; P245-K247 PolarHBondContact O-N 2.96Å; K247-L250 PolarHBondContact O-N 2.8Å; K247-L251 PolarHBondContact O-N 3.41Å
248	I	97.1	Very high	96.3	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-68.6	-37.4	175	-55.9	177.2	0	0	0	110.7	V33 N39 V42 I243 L244 P245 E246 L250 L251 L252 L270 V272	V33-I248 HydrophobicContact CG1-CB 3.86Å; V33-I248 HydrophobicContact CG1-CG2 3.71Å; N39-I248 HydrophobicContact CB-CD1 3.68Å; N39-I248 WeakPolarHBondContact OD1-CD1 3.3Å; V42-I248 HydrophobicContact CG2-CD1 3.72Å; V42-I248 HydrophobicContact CG2-CG1 4.06Å; I243-I248 HydrophobicContact CG2-CD1 4.22Å; I243-I248 HydrophobicContact CG2-CG1 3.94Å; L244-I248 PolarHBondContact O-N 2.89Å; P245-I248 WeakPolarHBondContact O-CB 2.95Å; P245-I248 PolarHBondContact O-N 3.39Å; P245-I248 VanDerWaalsContact O-N 3.14Å; E246-I248 VanDerWaalsContact C-N 3.33Å; I248-L250 PolarHBondContact O-N 2.83Å; I248-L251 PolarHBondContact O-N 3.32Å; I248-L252 WeakPolarHBondContact O-CB 3.36Å; I248-L252 PolarHBondContact O-N 2.8Å; I248-L270 HydrophobicContact CG2-CD2 4.31Å; I248-V272 HydrophobicContact CD1-CG1 3.86Å; I248-V272 HydrophobicContact CD1-CG2 4.27Å; I248-V272 HydrophobicContact CG2-CG2 3.9Å
249	C	96.5	Very high	96.2	Very high	9 Å²	9	31.4 Å²	31.4	6%	0.061	15%	0.154	C	C	.	.	H	α-helix	trans	-58.9	-45.8	172.6	-69.9	0	0	0	0	111.9	V33 Q34 P245 E246 L251 L252 E253	V33-C249 VanDerWaalsContact CG1-SG 3.52Å; Q34-C249 VanDerWaalsContact CG-SG 3.54Å; P245-C249 PolarHBondContact O-N 2.76Å; P245-C249 PolarHBondContact O-SG 3.13Å; E246-C249 WeakPolarHBondContact O-CB 3.45Å; E246-C249 PolarHBondContact O-N 3.23Å; C249-L251 VanDerWaalsContact C-N 3.29Å; C249-L251 PolarHBondContact O-N 3.47Å; C249-L252 PolarHBondContact O-N 2.86Å; C249-E253 WeakPolarHBondContact O-CB 3.48Å; C249-E253 WeakPolarHBondContact O-CG 3.29Å; C249-E253 PolarHBondContact O-N 2.87Å
250	L	96.6	Very high	96	Very high	85 Å²	85	36.1 Å²	36.1	45%	0.445	18%	0.18	S	C	.	.	H	α-helix	trans	-61	-40.7	176.1	-65.8	173	0	0	0	111.5	L59 E246 K247 I248 E253 H254	L59-L250 HydrophobicContact CD1-CB 3.98Å; L59-L250 HydrophobicContact CD1-CD1 4.4Å; L59-L250 HydrophobicContact CD2-CB 4.42Å; E246-L250 PolarHBondContact O-N 3.31Å; K247-L250 PolarHBondContact O-N 2.8Å; I248-L250 PolarHBondContact O-N 2.83Å; L250-E253 PolarHBondContact O-N 3.04Å; L250-H254 WeakPolarHBondContact O-CB 3.33Å; L250-H254 PolarHBondContact O-N 3.5Å
251	L	97.6	Very high	95.7	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.026	20%	0.199	C	C	.	.	H	α-helix	trans	-64.8	-44.2	176.5	-179	61.8	0	0	0	112	V42 F44 L56 L59 K247 I248 C249 H254 L255 L270	V42-L251 HydrophobicContact CG1-CD2 3.8Å; F44-L251 HydrophobicContact CD1-CD1 4.34Å; F44-L251 HydrophobicContact CD1-CD2 4.14Å; F44-L251 HydrophobicContact CE1-CD1 4.23Å; F44-L251 HydrophobicContact CE1-CD2 4.49Å; L56-L251 HydrophobicContact CD1-CD1 3.38Å; L59-L251 HydrophobicContact CD2-CB 4.16Å; L59-L251 HydrophobicContact CD2-CD1 4.11Å; K247-L251 PolarHBondContact O-N 3.41Å; I248-L251 PolarHBondContact O-N 3.32Å; C249-L251 VanDerWaalsContact C-N 3.29Å; C249-L251 PolarHBondContact O-N 3.47Å; L251-H254 PolarHBondContact O-N 2.86Å; L251-L255 HydrophobicContact CD1-CD1 4.46Å; L251-L255 HydrophobicContact CD1-CG 4.47Å; L251-L255 HydrophobicContact CG-CD1 4.3Å; L251-L255 WeakPolarHBondContact O-CG 3.36Å; L251-L255 PolarHBondContact O-N 3.46Å; L251-L270 HydrophobicContact CD2-CD1 3.69Å; L251-L270 HydrophobicContact CG-CD1 4.2Å
252	L	97.8	Very high	95.5	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.026	23%	0.234	C	C	.	.	H	α-helix	trans	-61.7	-43.2	176.4	177.3	61.3	0	0	0	111.4	F22 V33 I248 C249 L255 C256 L270 F299 I301	F22-L252 HydrophobicContact CE1-CD1 4.03Å; F22-L252 HydrophobicContact CE1-CD2 4.38Å; F22-L252 HydrophobicContact CE1-CG 4.25Å; F22-L252 HydrophobicContact CZ-CD1 3.98Å; V33-L252 HydrophobicContact CG2-CD2 3.99Å; I248-L252 WeakPolarHBondContact O-CB 3.36Å; I248-L252 PolarHBondContact O-N 2.8Å; C249-L252 PolarHBondContact O-N 2.86Å; L252-L255 PolarHBondContact O-N 2.83Å; L252-C256 WeakPolarHBondContact O-CB 3.42Å; L252-C256 PolarHBondContact O-N 3.36Å; L252-L270 HydrophobicContact CB-CD2 3.89Å; L252-L270 HydrophobicContact CD1-CD2 3.95Å; L252-L270 HydrophobicContact CG-CD2 4.48Å; L252-F299 HydrophobicContact CD1-CB 4.3Å; L252-F299 HydrophobicContact CD1-CD1 4.26Å; L252-F299 HydrophobicContact CD1-CD2 4.23Å; L252-F299 HydrophobicContact CD1-CG 4Å; L252-F299 HydrophobicContact CD2-CE1 4.43Å; L252-F299 HydrophobicContact CD2-CE2 4.18Å; L252-F299 HydrophobicContact CD2-CZ 4.13Å; L252-I301 HydrophobicContact CD1-CD1 3.76Å
253	E	96.2	Very high	95.5	Very high	65 Å²	65	48.7 Å²	48.7	30%	0.304	24%	0.244	S	C	.	.	H	α-helix	trans	-63.5	-44.4	176.6	-74.4	171.8	-166.5	0	0	111.4	R30 C249 L250 L255 C256 H257	R30-E253 IonicContact CZ-OE1 3.25Å; R30-E253 VanDerWaalsContact CZ-OE1 3.25Å; R30-E253 IonicContact NE-OE1 3.14Å; R30-E253 PolarHBondContact NE-OE1 2.96Å; R30-E253 VanDerWaalsContact NE-OE1 3.14Å; R30-E253 IonicContact NH2-OE1 2.65Å; R30-E253 PolarHBondContact NH2-OE1 3.29Å; C249-E253 WeakPolarHBondContact O-CB 3.48Å; C249-E253 WeakPolarHBondContact O-CG 3.29Å; C249-E253 PolarHBondContact O-N 2.87Å; L250-E253 PolarHBondContact O-N 3.04Å; E253-L255 VanDerWaalsContact C-N 3.33Å; E253-L255 PolarHBondContact O-N 2.91Å; E253-C256 WeakPolarHBondContact O-CB 3.22Å; E253-C256 PolarHBondContact O-N 2.96Å; E253-C256 VanDerWaalsContact O-N 3.15Å; E253-H257 PolarHBondContact O-CD2 2.91Å; E253-H257 PolarHBondContact O-N 2.92Å
254	H	96.6	Very high	95.3	Very high	26 Å²	26	55.3 Å²	55.3	12%	0.12	28%	0.279	C	S	.	.	H	α-helix	trans	-63.7	-38.1	176.5	-166.9	85.1	0	0	0	112.1	E55 L59 L250 L251 H257 Y258	E55-H254 IonicContact OE1-CE1 3.38Å; E55-H254 PolarHBondContact OE1-CE1 3.08Å; E55-H254 VanDerWaalsContact OE1-CE1 3.27Å; E55-H254 IonicContact OE1-ND1 3.23Å; E55-H254 PolarHBondContact OE1-ND1 3.3Å; E55-H254 IonicContact OE2-CE1 3.36Å; E55-H254 PolarHBondContact OE2-CE1 3.46Å; E55-H254 IonicContact OE2-ND1 3.94Å; L59-H254 HydrophobicContact CD2-CB 4.1Å; L250-H254 WeakPolarHBondContact O-CB 3.33Å; L250-H254 PolarHBondContact O-N 3.5Å; L251-H254 PolarHBondContact O-N 2.86Å; H254-H257 PolarHBondContact O-N 2.92Å; H254-Y258 PolarHBondContact O-N 3.05Å
255	L	96.7	Very high	95.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-70.2	-29.6	174	-69.9	174.5	0	0	0	113	F44 I46 L56 L251 L252 E253 Y258 V268 L270 I301	F44-L255 HydrophobicContact CB-CD1 4.16Å; I46-L255 HydrophobicContact CD1-CD2 4.29Å; L56-L255 HydrophobicContact CD2-CD2 4.32Å; L251-L255 HydrophobicContact CD1-CD1 4.46Å; L251-L255 HydrophobicContact CD1-CG 4.47Å; L251-L255 HydrophobicContact CG-CD1 4.3Å; L251-L255 WeakPolarHBondContact O-CG 3.36Å; L251-L255 PolarHBondContact O-N 3.46Å; L252-L255 PolarHBondContact O-N 2.83Å; E253-L255 VanDerWaalsContact C-N 3.33Å; E253-L255 PolarHBondContact O-N 2.91Å; L255-Y258 VanDerWaalsContact O-CB 3.24Å; L255-Y258 WeakPolarHBondContact O-CB 3.47Å; L255-Y258 PolarHBondContact O-N 3.43Å; L255-V268 HydrophobicContact CB-CG2 4.38Å; L255-V268 HydrophobicContact CD2-CG2 4.39Å; L255-L270 HydrophobicContact CD1-CB 3.83Å; L255-L270 HydrophobicContact CD1-CD1 4.16Å; L255-L270 HydrophobicContact CD1-CD2 4.38Å; L255-L270 HydrophobicContact CD1-CG 4.34Å; L255-I301 HydrophobicContact CB-CD1 3.77Å
256	C	95.6	Very high	95.3	Very high	21 Å²	21	55.7 Å²	55.7	14%	0.142	29%	0.285	C	S	.	.	H	α-helix	trans	-65.9	-45	170.9	-176.7	0	0	0	0	111	F22 L252 E253 Y258	F22-C256 HydrophobicContact CD2-CB 4.46Å; L252-C256 WeakPolarHBondContact O-CB 3.42Å; L252-C256 PolarHBondContact O-N 3.36Å; E253-C256 WeakPolarHBondContact O-CB 3.22Å; E253-C256 PolarHBondContact O-N 2.96Å; E253-C256 VanDerWaalsContact O-N 3.15Å; C256-Y258 PolarHBondContact O-N 3.22Å
257	H	95.4	Very high	95.5	Very high	110 Å²	110	52.7 Å²	52.7	51%	0.509	27%	0.271	S	S	.	.	H	α-helix	trans	-74.8	-8	177.5	-73	-62.1	0	0	0	114	E253 H254 F259 D260	E253-H257 PolarHBondContact O-CD2 2.91Å; E253-H257 PolarHBondContact O-N 2.92Å; H254-H257 PolarHBondContact O-N 2.92Å; H257-F259 PolarHBondContact O-N 2.95Å; H257-F259 VanDerWaalsContact O-N 3.13Å; H257-D260 WeakPolarHBondContact CB-OD2 3.32Å; H257-D260 IonicContact CE1-OD2 3.92Å; H257-D260 IonicContact CG-OD2 3.5Å; H257-D260 IonicContact ND1-OD1 3.56Å; H257-D260 IonicContact ND1-OD2 2.82Å; H257-D260 PolarHBondContact ND1-OD2 3.45Å; H257-D260 WeakPolarHBondContact O-CB 3.4Å; H257-D260 PolarHBondContact O-N 3.35Å
258	Y	95.4	Very high	95.6	Very high	40 Å²	40	49.9 Å²	49.9	16%	0.157	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.6	175.5	179.6	-106.4	0	0	0	112.5	I46 H254 L255 C256 K263 A265 V268	I46-Y258 HydrophobicContact CG2-CE1 3.88Å; I46-Y258 HydrophobicContact CG2-CE2 4.38Å; I46-Y258 WeakPolarHBondContact CG2-OH 3.5Å; H254-Y258 PolarHBondContact O-N 3.05Å; L255-Y258 VanDerWaalsContact O-CB 3.24Å; L255-Y258 WeakPolarHBondContact O-CB 3.47Å; L255-Y258 PolarHBondContact O-N 3.43Å; C256-Y258 PolarHBondContact O-N 3.22Å; Y258-K263 HydrophobicContact CD1-CG 4.06Å; Y258-K263 HydrophobicContact CE1-CB 4.12Å; Y258-K263 HydrophobicContact CE1-CD 4.31Å; Y258-K263 HydrophobicContact CE1-CG 3.63Å; Y258-K263 HydrophobicContact CE2-CD 4.39Å; Y258-K263 WeakPolarHBondContact O-CE 3.33Å; Y258-K263 WeakPolarHBondContact O-CG 3.2Å; Y258-A265 HydrophobicContact CE1-CB 4.3Å; Y258-V268 HydrophobicContact CD1-CG1 3.77Å; Y258-V268 HydrophobicContact CE1-CG1 3.81Å
259	F	95.5	Very high	95.7	Very high	27 Å²	27	49.8 Å²	49.8	12%	0.118	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	6.4	-179.6	-66.1	-66.5	0	0	0	114.8	H257 E261 K263 A265 V268 I301 N303	H257-F259 PolarHBondContact O-N 2.95Å; H257-F259 VanDerWaalsContact O-N 3.13Å; F259-E261 PolarHBondContact O-N 3.39Å; F259-K263 HydrophobicContact CD1-CB 4.27Å; F259-K263 HydrophobicContact CD1-CG 4.19Å; F259-K263 HydrophobicContact CE1-CB 4.35Å; F259-A265 HydrophobicContact CE1-CB 4.5Å; F259-A265 WeakPolarHBondContact CE1-O 3.34Å; F259-V268 HydrophobicContact CE2-CG1 4.22Å; F259-V268 HydrophobicContact CE2-CG2 3.99Å; F259-V268 HydrophobicContact CZ-CG1 3.85Å; F259-V268 HydrophobicContact CZ-CG2 4.42Å; F259-I301 HydrophobicContact CD2-CG2 4.29Å; F259-I301 HydrophobicContact CE2-CG2 4.07Å; F259-N303 HydrophobicContact CB-CB 4.25Å; F259-N303 HydrophobicContact CD1-CB 3.65Å; F259-N303 HydrophobicContact CD2-CB 4.47Å; F259-N303 HydrophobicContact CE1-CB 4.03Å; F259-N303 HydrophobicContact CG-CB 3.89Å
260	D	93.4	Very high	95.8	Very high	101 Å²	101	49.4 Å²	49.4	54%	0.54	26%	0.255	S	S	.	.	S	Bend	trans	-62.3	-31.8	175.1	-71.7	-9.6	0	0	0	111.3	H257	H257-D260 WeakPolarHBondContact CB-OD2 3.32Å; H257-D260 IonicContact CE1-OD2 3.92Å; H257-D260 IonicContact CG-OD2 3.5Å; H257-D260 IonicContact ND1-OD1 3.56Å; H257-D260 IonicContact ND1-OD2 2.82Å; H257-D260 PolarHBondContact ND1-OD2 3.45Å; H257-D260 WeakPolarHBondContact O-CB 3.4Å; H257-D260 PolarHBondContact O-N 3.35Å
261	E	91.4	Very high	95.8	Very high	127 Å²	127	45.7 Å²	45.7	59%	0.593	24%	0.237	S	C	*	.	S	Bend	trans	-101.7	143.1	169.9	-66.8	-62.1	155.2	0	0	110.4	F259 K263	F259-E261 PolarHBondContact O-N 3.39Å; E261-K263 WeakPolarHBondContact O-CG 3.09Å; E261-K263 PolarHBondContact O-N 2.88Å; E261-K263 VanDerWaalsContact O-N 3.12Å
262	P	93.1	Very high	95.7	Very high	123 Å²	123	45.4 Å²	45.4	80%	0.799	24%	0.235	S	C	*	.			trans	-54.2	119.8	175.9	-25.6	34.2	0	0	0	112
263	K	94.3	Very high	95.5	Very high	89 Å²	89	46.3 Å²	46.3	39%	0.387	24%	0.239	S	C	.	.			trans	-112.3	156.9	176.7	-55.5	-54.4	178.6	-171.1	0	110.5	Y258 F259 E261	Y258-K263 HydrophobicContact CD1-CG 4.06Å; Y258-K263 HydrophobicContact CE1-CB 4.12Å; Y258-K263 HydrophobicContact CE1-CD 4.31Å; Y258-K263 HydrophobicContact CE1-CG 3.63Å; Y258-K263 HydrophobicContact CE2-CD 4.39Å; Y258-K263 WeakPolarHBondContact O-CE 3.33Å; Y258-K263 WeakPolarHBondContact O-CG 3.2Å; F259-K263 HydrophobicContact CD1-CB 4.27Å; F259-K263 HydrophobicContact CD1-CG 4.19Å; F259-K263 HydrophobicContact CE1-CB 4.35Å; E261-K263 WeakPolarHBondContact O-CG 3.09Å; E261-K263 PolarHBondContact O-N 2.88Å; E261-K263 VanDerWaalsContact O-N 3.12Å
264	L	93.7	Very high	95.3	Very high	142 Å²	142	43.3 Å²	43.3	74%	0.743	23%	0.226	S	C	*	.	S	Bend	trans	-73.8	-38.3	171.4	-58.3	174.7	0	0	0	110.7	E48	E48-L264 HydrophobicContact CB-CB 4.04Å; E48-L264 WeakPolarHBondContact OE2-CB 3.19Å
265	A	95	Very high	94.8	Very high	3 Å²	3	43.9 Å²	43.9	3%	0.025	23%	0.228	C	C	.	.			trans	-53.8	127.3	177.8	0	0	0	0	0	111.9	P47 E48 Y258 F259	P47-A265 VanDerWaalsContact O-CB 3.23Å; P47-A265 WeakPolarHBondContact O-CB 3.45Å; E48-A265 PolarHBondContact OE2-N 3.34Å; Y258-A265 HydrophobicContact CE1-CB 4.3Å; F259-A265 HydrophobicContact CE1-CB 4.5Å; F259-A265 WeakPolarHBondContact CE1-O 3.34Å
266	P	94.3	Very high	94	Very high	63 Å²	63	44.7 Å²	44.7	41%	0.409	24%	0.235	S	C	.	.	S	Bend	trans	-77.4	-26.7	177.3	28.2	-33.3	0	0	0	113.1
267	W	97.6	Very high	92.9	Very high	5 Å²	5	45.4 Å²	45.4	2%	0.019	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	162.9	-179	48.1	-100.7	0	0	0	109.7	L45 P47 C177 L180 L198 W201 T269 V300 I301 F302	L45-W267 HydrophobicContact CD2-CH2 4.35Å; L45-W267 HydrophobicContact CD2-CZ3 3.98Å; P47-W267 WeakPolarHBondContact CD-O 3.49Å; P47-W267 HydrophobicContact CG-CD2 4.35Å; P47-W267 HydrophobicContact CG-CE3 3.95Å; P47-W267 HydrophobicContact CG-CH2 3.93Å; P47-W267 HydrophobicContact CG-CZ2 4.35Å; P47-W267 HydrophobicContact CG-CZ3 3.7Å; C177-W267 HydrophobicContact CB-CZ2 4.06Å; L180-W267 HydrophobicContact CD1-CD2 4.1Å; L180-W267 HydrophobicContact CD1-CG 4.04Å; L180-W267 HydrophobicContact CD1-CZ2 4.43Å; L198-W267 HydrophobicContact CD1-CH2 4.43Å; L198-W267 HydrophobicContact CD1-CZ2 4.45Å; W201-W267 AromaticContact CH2-CH2 3.88Å; W201-W267 HydrophobicContact CH2-CH2 3.88Å; W201-W267 AromaticContact CZ3-CH2 3.75Å; W201-W267 HydrophobicContact CZ3-CH2 3.75Å; W267-T269 HydrophobicContact CE3-CG2 3.83Å; W267-T269 HydrophobicContact CZ3-CG2 3.61Å; W267-V300 HydrophobicContact CB-CG1 4.38Å; W267-I301 CarbonylContact C-O 3.58Å; W267-I301 WeakPolarHBondContact CA-O 3.23Å; W267-I301 WeakPolarHBondContact CB-O 3.45Å; W267-F302 HydrophobicContact CB-CD1 4.03Å; W267-F302 HydrophobicContact CB-CE1 4.21Å
268	V	98.1	Very high	91.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	157.2	169.2	-57.8	0	0	0	0	109.9	I46 L255 Y258 F259 I301	I46-V268 HydrophobicContact CB-CG1 4.27Å; I46-V268 HydrophobicContact CG1-CB 4.42Å; I46-V268 HydrophobicContact CG1-CG1 4.09Å; I46-V268 HydrophobicContact CG2-CG1 3.8Å; L255-V268 HydrophobicContact CB-CG2 4.38Å; L255-V268 HydrophobicContact CD2-CG2 4.39Å; Y258-V268 HydrophobicContact CD1-CG1 3.77Å; Y258-V268 HydrophobicContact CE1-CG1 3.81Å; F259-V268 HydrophobicContact CE2-CG1 4.22Å; F259-V268 HydrophobicContact CE2-CG2 3.99Å; F259-V268 HydrophobicContact CZ-CG1 3.85Å; F259-V268 HydrophobicContact CZ-CG2 4.42Å; V268-I301 HydrophobicContact CG2-CB 3.76Å; V268-I301 HydrophobicContact CG2-CD1 4.18Å; V268-I301 HydrophobicContact CG2-CG1 4.45Å; V268-I301 HydrophobicContact CG2-CG2 4.21Å; V268-I301 PolarHBondContact N-O 2.88Å; V268-I301 PolarHBondContact O-N 3.27Å
269	T	98.3	Very high	90.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	148	177.6	66.8	0	0	0	0	112.1	F44 L45 L202 W267 F299	F44-T269 WeakPolarHBondContact CA-O 3.44Å; F44-T269 WeakPolarHBondContact CB-O 3.26Å; L45-T269 WeakPolarHBondContact CB-OG1 3.36Å; L45-T269 PolarHBondContact N-O 2.82Å; L45-T269 PolarHBondContact N-OG1 2.89Å; L45-T269 PolarHBondContact O-N 2.95Å; L202-T269 HydrophobicContact CD1-CG2 4.31Å; L202-T269 HydrophobicContact CD2-CG2 4.25Å; W267-T269 HydrophobicContact CE3-CG2 3.83Å; W267-T269 HydrophobicContact CZ3-CG2 3.61Å; T269-F299 CarbonylContact C-O 3.04Å; T269-F299 VanDerWaalsContact CA-O 3.31Å; T269-F299 WeakPolarHBondContact CA-O 3.3Å
270	L	98.4	Very high	88.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	117.5	165.9	174.8	67.4	0	0	0	108.3	V42 F44 I248 L251 L252 L255 V272 N298 F299	V42-L270 HydrophobicContact CG1-CD1 3.81Å; F44-L270 HydrophobicContact CB-CD1 4.24Å; I248-L270 HydrophobicContact CG2-CD2 4.31Å; L251-L270 HydrophobicContact CD2-CD1 3.69Å; L251-L270 HydrophobicContact CG-CD1 4.2Å; L252-L270 HydrophobicContact CB-CD2 3.89Å; L252-L270 HydrophobicContact CD1-CD2 3.95Å; L252-L270 HydrophobicContact CG-CD2 4.48Å; L255-L270 HydrophobicContact CD1-CB 3.83Å; L255-L270 HydrophobicContact CD1-CD1 4.16Å; L255-L270 HydrophobicContact CD1-CD2 4.38Å; L255-L270 HydrophobicContact CD1-CG 4.34Å; L270-V272 HydrophobicContact CG-CG2 4.39Å; L270-N298 CarbonylContact O-C 3.47Å; L270-N298 WeakPolarHBondContact O-CA 3.34Å; L270-F299 HydrophobicContact CB-CB 4.3Å; L270-F299 PolarHBondContact N-O 2.91Å; L270-F299 PolarHBondContact O-N 3.43Å
271	S	97.6	Very high	87.2	Confident	7 Å²	7	33 Å²	33	5%	0.049	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129.5	-179.4	-69	0	0	0	0	110.3	V42 S43 L202 F206 N298	V42-S271 CarbonylContact C-O 3.52Å; V42-S271 WeakPolarHBondContact CA-O 3.14Å; S43-S271 PolarHBondContact N-O 2.81Å; S43-S271 PolarHBondContact O-N 3.3Å; L202-S271 VanDerWaalsContact CD2-OG 3.26Å; L202-S271 WeakPolarHBondContact CD2-OG 3.31Å; F206-S271 VanDerWaalsContact CE2-CB 3.4Å; F206-S271 VanDerWaalsContact CE2-OG 3.31Å; F206-S271 WeakPolarHBondContact CE2-OG 3.33Å; S271-N298 WeakPolarHBondContact CA-OD1 3.33Å; S271-N298 WeakPolarHBondContact CB-OD1 3.33Å; S271-N298 VanDerWaalsContact OG-CG 3.26Å; S271-N298 PolarHBondContact OG-OD1 3.48Å
272	V	96.4	Very high	86.1	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.3	-178.2	-178.8	0	0	0	0	108.8	N39 R41 V42 I248 L270 L296 Y297	N39-V272 HydrophobicContact CB-CG1 4.07Å; N39-V272 VanDerWaalsContact OD1-CG1 3.24Å; N39-V272 WeakPolarHBondContact OD1-CG1 3.43Å; R41-V272 WeakPolarHBondContact O-CA 3.49Å; V42-V272 HydrophobicContact CG1-CG2 4.21Å; V42-V272 HydrophobicContact CG2-CG1 4.17Å; V42-V272 HydrophobicContact CG2-CG2 4.22Å; I248-V272 HydrophobicContact CD1-CG1 3.86Å; I248-V272 HydrophobicContact CD1-CG2 4.27Å; I248-V272 HydrophobicContact CG2-CG2 3.9Å; L270-V272 HydrophobicContact CG-CG2 4.39Å; V272-L296 WeakPolarHBondContact O-CA 3.12Å; V272-Y297 HydrophobicContact CB-CD1 4.03Å; V272-Y297 HydrophobicContact CB-CD2 4.28Å; V272-Y297 HydrophobicContact CB-CE1 3.51Å; V272-Y297 HydrophobicContact CB-CE2 3.74Å; V272-Y297 HydrophobicContact CB-CG 4.42Å; V272-Y297 HydrophobicContact CG1-CD1 4.39Å; V272-Y297 HydrophobicContact CG1-CE1 3.55Å; V272-Y297 HydrophobicContact CG1-CE2 4.48Å; V272-Y297 WeakPolarHBondContact CG1-OH 3.45Å; V272-Y297 HydrophobicContact CG2-CE1 4.29Å; V272-Y297 HydrophobicContact CG2-CE2 3.71Å; V272-Y297 PolarHBondContact N-O 3.36Å; V272-Y297 PolarHBondContact O-N 3Å
273	Q	93.4	Very high	84.8	Confident	23 Å²	23	24.4 Å²	24.4	11%	0.107	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.7	176.6	-174.7	-172.2	10	0	0	108.6	Y40 R41 E294 L296	Y40-Q273 PolarHBondContact N-O 3.03Å; R41-Q273 HydrophobicContact CB-CB 4.24Å; R41-Q273 PolarHBondContact N-O 3.41Å; R41-Q273 PolarHBondContact O-N 3.22Å; Q273-E294 PolarHBondContact NE2-OE2 3.33Å; Q273-L296 HydrophobicContact CB-CD1 4.33Å; Q273-L296 HydrophobicContact CG-CD1 4.45Å
274	G	90.8	Very high	83.1	Confident	2 Å²	2	24.9 Å²	24.9	2%	0.021	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-170.2	175	0	0	0	0	0	113.3	Y38 H295	Y38-G274 WeakPolarHBondContact O-CA 3.4Å; G274-H295 VanDerWaalsContact CA-CD2 3.43Å; G274-H295 WeakPolarHBondContact CA-CD2 3.43Å; G274-H295 WeakPolarHBondContact CA-NE2 3.45Å; G274-H295 PolarHBondContact N-O 3.24Å
275	F	87.4	Confident	81.4	Confident	38 Å²	38	19.5 Å²	19.5	17%	0.167	10%	0.102	C	C	.	.			trans	-83.7	139.2	174.5	-71.4	-94.6	0	0	0	110.9	N39 Y40 L95 F242 D277 S278 H295	N39-F275 WeakPolarHBondContact O-CE2 3.35Å; Y40-F275 HydrophobicContact CD2-CD1 4.22Å; Y40-F275 AromaticContact CD2-CE1 3.47Å; Y40-F275 HydrophobicContact CD2-CE1 3.47Å; Y40-F275 VanDerWaalsContact CD2-CE1 3.47Å; Y40-F275 HydrophobicContact CD2-CE2 4.48Å; Y40-F275 AromaticContact CD2-CZ 3.62Å; Y40-F275 HydrophobicContact CD2-CZ 3.62Å; Y40-F275 HydrophobicContact CE2-CE1 4.31Å; Y40-F275 HydrophobicContact CG-CD1 4.33Å; Y40-F275 AromaticContact CG-CE1 3.98Å; Y40-F275 HydrophobicContact CG-CE1 3.98Å; Y40-F275 HydrophobicContact CG-CZ 4.13Å; L95-F275 HydrophobicContact CD2-CB 4.17Å; L95-F275 HydrophobicContact CD2-CD1 4.38Å; L95-F275 HydrophobicContact CD2-CD2 4.1Å; L95-F275 HydrophobicContact CD2-CG 3.95Å; F242-F275 AromaticContact CD2-CE2 3.59Å; F242-F275 HydrophobicContact CD2-CE2 3.59Å; F242-F275 AromaticContact CD2-CZ 3.67Å; F242-F275 HydrophobicContact CD2-CZ 3.67Å; F242-F275 HydrophobicContact CE2-CE2 4.03Å; F242-F275 HydrophobicContact CE2-CZ 4.44Å; F275-D277 VanDerWaalsContact C-N 3.28Å; F275-D277 PolarHBondContact O-N 3.2Å; F275-S278 PolarHBondContact O-OG 2.94Å; F275-H295 PolarHBondContact N-NE2 3.04Å; F275-H295 PolarHBondContact O-NE2 2.91Å
276	A	79.9	Confident	79.5	Confident	18 Å²	18	21.6 Å²	21.6	15%	0.149	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-30.7	173.2	0	0	0	0	0	112.8	H287 F289 E294	A276-H287 PolarHBondContact O-CE1 3.26Å; A276-H287 PolarHBondContact O-ND1 2.94Å; A276-F289 HydrophobicContact CB-CD2 4Å; A276-F289 HydrophobicContact CB-CE2 3.8Å; A276-E294 HydrophobicContact CB-CG 3.88Å
277	D	72.2	Confident	77.6	Confident	35 Å²	35	18.9 Å²	18.9	19%	0.187	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	18.7	-175.9	-54	-58.5	0	0	0	113.2	T99 H100 F275 P279	T99-D277 WeakPolarHBondContact O-CB 3.36Å; H100-D277 IonicContact CE1-OD1 3.96Å; H100-D277 IonicContact CG-OD1 2.98Å; H100-D277 IonicContact ND1-OD1 3.76Å; H100-D277 PolarHBondContact ND1-OD1 3.32Å; H100-D277 IonicContact ND1-OD2 3.93Å; F275-D277 VanDerWaalsContact C-N 3.28Å; F275-D277 PolarHBondContact O-N 3.2Å; D277-P279 WeakPolarHBondContact O-CD 3.47Å
278	S	69.6	Low	75.6	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.102	C	C	.	.			trans	-76	132.6	177.7	60.5	0	0	0	0	111.4	F275 V280 H287 H295	F275-S278 PolarHBondContact O-OG 2.94Å; S278-V280 PolarHBondContact O-N 2.72Å; S278-H287 VanDerWaalsContact O-CB 3.28Å; S278-H287 WeakPolarHBondContact O-CB 3.12Å; S278-H287 PolarHBondContact O-ND1 3.14Å; S278-H295 PolarHBondContact OG-CE1 2.94Å; S278-H295 PolarHBondContact OG-NE2 2.93Å; S278-H295 VanDerWaalsContact OG-NE2 3.14Å
279	P	62	Low	73.5	Confident	8 Å²	8	22.9 Å²	22.9	5%	0.052	12%	0.116	C	C	.	.	S	Bend	trans	-64.1	-23.4	174.1	-25.9	35.7	0	0	0	116.3	I101 T106 A108 I116 D277 H287	I101-P279 HydrophobicContact CD1-CB 4.09Å; I101-P279 HydrophobicContact CD1-CG 4.25Å; T106-P279 HydrophobicContact CG2-CG 3.41Å; T106-P279 VanDerWaalsContact CG2-CG 3.41Å; A108-P279 HydrophobicContact CB-CB 4.35Å; A108-P279 HydrophobicContact CB-CG 3.88Å; I116-P279 HydrophobicContact CG2-CB 4.43Å; D277-P279 WeakPolarHBondContact O-CD 3.47Å; P279-H287 PolarHBondContact O-N 3.5Å
280	V	65.7	Low	71.4	Confident	8 Å²	8	31.6 Å²	31.6	5%	0.048	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	121.9	-174.9	-179.3	0	0	0	0	109.7	I116 S278 E283 N285	I116-V280 HydrophobicContact CD1-CG2 3.56Å; I116-V280 HydrophobicContact CG2-CG2 4.15Å; S278-V280 PolarHBondContact O-N 2.72Å; V280-E283 WeakPolarHBondContact CG1-O 3.49Å; V280-N285 CarbonylContact C-O 3.57Å; V280-N285 VanDerWaalsContact CA-O 3.23Å; V280-N285 WeakPolarHBondContact CA-O 3.42Å; V280-N285 WeakPolarHBondContact CG1-O 3.39Å
281	S	63.1	Low	68.9	Low	1 Å²	1	40.8 Å²	40.8	1%	0.007	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	147.4	161.4	60.4	0	0	0	0	109.1	N285 H295 D317	S281-N285 PolarHBondContact N-O 2.97Å; S281-N285 CarbonylContact O-C 3.46Å; S281-N285 WeakPolarHBondContact O-CA 3.33Å; S281-N285 VanDerWaalsContact O-CB 3.24Å; S281-N285 WeakPolarHBondContact O-CB 3.48Å; S281-N285 PolarHBondContact O-N 2.89Å; S281-N285 PolarHBondContact OG-O 2.87Å; S281-H295 WeakPolarHBondContact CB-ND1 3.44Å; S281-D317 PolarHBondContact OG-OD2 3.05Å
282	W	66.5	Low	66.7	Low	5 Å²	5	42.3 Å²	42.3	2%	0.019	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	22.2	104.7	-179	-76.6	-81.8	0	0	0	118.3	L32 T35 H36 K284 N285 H295 Y297 P320	L32-W282 HydrophobicContact CD2-CZ2 4.33Å; L32-W282 PolarHBondContact O-NE1 3.45Å; T35-W282 WeakPolarHBondContact O-CA 3.48Å; H36-W282 AromaticContact CD2-CD2 3.66Å; H36-W282 AromaticContact CD2-CE2 3.38Å; H36-W282 AromaticContact CD2-CE3 3.95Å; H36-W282 AromaticContact CD2-CH2 3.75Å; H36-W282 AromaticContact CD2-CZ2 3.44Å; H36-W282 VanDerWaalsContact CD2-CZ2 3.44Å; H36-W282 WeakPolarHBondContact CD2-CZ2 3.38Å; H36-W282 AromaticContact CD2-CZ3 4Å; H36-W282 AromaticContact CD2-NE1 3.86Å; W282-K284 VanDerWaalsContact C-N 3.29Å; W282-K284 PolarHBondContact O-N 3.15Å; W282-N285 PolarHBondContact O-N 2.71Å; W282-H295 HydrophobicContact CE3-CB 4.1Å; W282-H295 HydrophobicContact CH2-CB 3.91Å; W282-H295 HydrophobicContact CZ3-CB 3.33Å; W282-Y297 AromaticContact CH2-CD1 3.9Å; W282-Y297 HydrophobicContact CH2-CD1 3.9Å; W282-Y297 HydrophobicContact CH2-CG 4.48Å; W282-Y297 AromaticContact CZ2-CD1 3.34Å; W282-Y297 HydrophobicContact CZ2-CD1 3.34Å; W282-Y297 HydrophobicContact CZ2-CE1 4.12Å; W282-Y297 AromaticContact CZ2-CG 3.89Å; W282-Y297 HydrophobicContact CZ2-CG 3.89Å; W282-P320 HydrophobicContact CB-CG 3.9Å; W282-P320 HydrophobicContact CD2-CG 4.08Å; W282-P320 HydrophobicContact CG-CG 3.72Å
283	E	67.4	Low	64.7	Low	65 Å²	65	42.4 Å²	42.4	30%	0.304	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	-76.1	-177.1	-61.6	-161.1	150.7	0	0	115.8	H31 T35 V280	H31-E283 IonicContact CE1-OE1 3.27Å; H31-E283 PolarHBondContact CE1-OE1 3.31Å; H31-E283 IonicContact NE2-OE1 3.02Å; H31-E283 PolarHBondContact NE2-OE1 3.37Å; T35-E283 HydrophobicContact CG2-CG 3.58Å; T35-E283 WeakPolarHBondContact CG2-OE1 3.39Å; T35-E283 PolarHBondContact O-N 2.76Å; T35-E283 VanDerWaalsContact O-N 3.11Å; V280-E283 WeakPolarHBondContact CG1-O 3.49Å
284	K	57.9	Low	63.5	Low	99 Å²	99	45.7 Å²	45.7	43%	0.43	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.5	7.3	-168.6	-60	-177.9	-168.2	155.1	0	113	W282 E286	W282-K284 VanDerWaalsContact C-N 3.29Å; W282-K284 PolarHBondContact O-N 3.15Å; K284-E286 PolarHBondContact O-N 3.47Å
285	N	57.3	Low	63	Low	29 Å²	29	45.7 Å²	45.7	16%	0.155	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	118.1	178.3	-55.6	-27	0	0	0	106.6	V280 S281 W282 H318	V280-N285 CarbonylContact C-O 3.57Å; V280-N285 VanDerWaalsContact CA-O 3.23Å; V280-N285 WeakPolarHBondContact CA-O 3.42Å; V280-N285 WeakPolarHBondContact CG1-O 3.39Å; S281-N285 PolarHBondContact N-O 2.97Å; S281-N285 CarbonylContact O-C 3.46Å; S281-N285 WeakPolarHBondContact O-CA 3.33Å; S281-N285 VanDerWaalsContact O-CB 3.24Å; S281-N285 WeakPolarHBondContact O-CB 3.48Å; S281-N285 PolarHBondContact O-N 2.89Å; S281-N285 PolarHBondContact OG-O 2.87Å; W282-N285 PolarHBondContact O-N 2.71Å; N285-H318 HydrophobicContact CB-CB 4.43Å; N285-H318 PolarHBondContact ND2-O 3.49Å
286	E	56.2	Low	63.1	Low	47 Å²	47	45.5 Å²	45.5	22%	0.22	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	136.2	170.9	-68.7	171.1	-153.3	0	0	107.7	H132 S134 Q135 F136 K284	H132-E286 IonicContact CE1-OE1 2.7Å; H132-E286 PolarHBondContact CE1-OE1 2.85Å; S134-E286 VanDerWaalsContact CA-OE2 3.28Å; S134-E286 WeakPolarHBondContact CA-OE2 3.23Å; S134-E286 WeakPolarHBondContact CB-OE2 3.24Å; S134-E286 PolarHBondContact OG-OE2 2.85Å; Q135-E286 PolarHBondContact N-OE1 3Å; Q135-E286 PolarHBondContact N-OE2 3.26Å; F136-E286 PolarHBondContact N-OE1 2.89Å; K284-E286 PolarHBondContact O-N 3.47Å
287	H	53.7	Low	63.8	Low	6 Å²	6	44.6 Å²	44.6	3%	0.028	22%	0.215	C	C	.	.			trans	-106.8	129.5	-179.7	175.1	-68.3	0	0	0	108.9	I101 A276 S278 P279 G293 D317	I101-H287 WeakPolarHBondContact CD1-O 3.28Å; A276-H287 PolarHBondContact O-CE1 3.26Å; A276-H287 PolarHBondContact O-ND1 2.94Å; S278-H287 VanDerWaalsContact O-CB 3.28Å; S278-H287 WeakPolarHBondContact O-CB 3.12Å; S278-H287 PolarHBondContact O-ND1 3.14Å; P279-H287 PolarHBondContact O-N 3.5Å; H287-G293 PolarHBondContact CD2-O 3.29Å; H287-G293 PolarHBondContact NE2-O 3.39Å; H287-D317 WeakPolarHBondContact CA-OD1 2.88Å; H287-D317 WeakPolarHBondContact CA-OD2 3.33Å; H287-D317 WeakPolarHBondContact CB-OD2 3.47Å; H287-D317 IonicContact CD2-OD2 3.34Å; H287-D317 PolarHBondContact CD2-OD2 2.82Å; H287-D317 IonicContact CG-OD2 3.47Å
288	G	55.7	Low	64.9	Low	19 Å²	19	43.2 Å²	43.2	20%	0.196	21%	0.207	C	C	.	.			trans	-118.4	143.4	179.6	0	0	0	0	0	112.3	D317	G288-D317 PolarHBondContact N-OD1 3.43Å
289	F	55	Low	66.3	Low	70 Å²	70	43.2 Å²	43.2	31%	0.307	21%	0.207	S	C	.	.			trans	-103.4	19.6	-173.1	-173.1	-103.9	0	0	0	114.3	I101 D102 A276 K291 G292	I101-F289 HydrophobicContact CG2-CB 3.42Å; I101-F289 VanDerWaalsContact CG2-CB 3.42Å; D102-F289 WeakPolarHBondContact OD2-CA 3.5Å; D102-F289 WeakPolarHBondContact OD2-CB 3.35Å; D102-F289 PolarHBondContact OD2-N 3.33Å; A276-F289 HydrophobicContact CB-CD2 4Å; A276-F289 HydrophobicContact CB-CE2 3.8Å; F289-K291 VanDerWaalsContact C-N 3.32Å; F289-K291 PolarHBondContact O-N 2.89Å; F289-G292 PolarHBondContact O-N 3.02Å
290	R	53.9	Low	68	Low	183 Å²	183	42.8 Å²	42.8	69%	0.691	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-40.6	-168.7	-70.7	-172.1	177.5	-175.3	-1.7	116.8	D102	D102-R290 WeakPolarHBondContact OD2-CA 3.32Å; D102-R290 PolarHBondContact OD2-N 3.48Å
291	K	45.6	Very low	69.6	Low	194 Å²	194	42.5 Å²	42.5	84%	0.843	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-141.6	24.4	-179.9	-73.9	-168.1	174.3	-175.3	0	112.7	F289	F289-K291 VanDerWaalsContact C-N 3.32Å; F289-K291 PolarHBondContact O-N 2.89Å
292	G	51.9	Low	71.3	Confident	38 Å²	38	43 Å²	43	39%	0.392	21%	0.205	S	C	.	.			trans	96.2	129.8	-165.3	0	0	0	0	0	111	F289	F289-G292 PolarHBondContact O-N 3.02Å
293	G	54	Low	72.7	Confident	2 Å²	2	47.7 Å²	47.7	2%	0.021	23%	0.23	C	C	.	.			trans	-144.2	5.5	-170.8	0	0	0	0	0	114.8	H287 H295	H287-G293 PolarHBondContact CD2-O 3.29Å; H287-G293 PolarHBondContact NE2-O 3.39Å; G293-H295 PolarHBondContact O-N 3.5Å; G293-H295 VanDerWaalsContact O-N 3.14Å
294	E	67.6	Low	74	Confident	92 Å²	92	48.2 Å²	48.2	43%	0.43	24%	0.235	S	C	.	.			trans	-50.8	118.8	-169.9	-61.9	176.1	174	0	0	113.1	Q273 A276 L296	Q273-E294 PolarHBondContact NE2-OE2 3.33Å; A276-E294 HydrophobicContact CB-CG 3.88Å; E294-L296 PolarHBondContact O-N 3.48Å
295	H	80.1	Confident	75.8	Confident	3 Å²	3	48 Å²	48	1%	0.014	24%	0.236	C	C	.	.			trans	-62.8	124.8	161.7	44.2	-173.4	0	0	0	112.1	H36 G274 F275 S278 S281 W282 G293	H36-H295 AromaticContact CD2-ND1 3.77Å; H36-H295 AromaticContact NE2-CE1 3.74Å; H36-H295 AromaticContact NE2-CG 3.37Å; H36-H295 AromaticContact NE2-ND1 3.15Å; H36-H295 PolarHBondContact NE2-ND1 3.45Å; H36-H295 VanDerWaalsContact NE2-ND1 3.15Å; G274-H295 VanDerWaalsContact CA-CD2 3.43Å; G274-H295 WeakPolarHBondContact CA-CD2 3.43Å; G274-H295 WeakPolarHBondContact CA-NE2 3.45Å; G274-H295 PolarHBondContact N-O 3.24Å; F275-H295 PolarHBondContact N-NE2 3.04Å; F275-H295 PolarHBondContact O-NE2 2.91Å; S278-H295 PolarHBondContact OG-CE1 2.94Å; S278-H295 PolarHBondContact OG-NE2 2.93Å; S278-H295 VanDerWaalsContact OG-NE2 3.14Å; S281-H295 WeakPolarHBondContact CB-ND1 3.44Å; W282-H295 HydrophobicContact CE3-CB 4.1Å; W282-H295 HydrophobicContact CH2-CB 3.91Å; W282-H295 HydrophobicContact CZ3-CB 3.33Å; G293-H295 PolarHBondContact O-N 3.5Å; G293-H295 VanDerWaalsContact O-N 3.14Å
296	L	89.4	Confident	77.8	Confident	33 Å²	33	47.6 Å²	47.6	17%	0.173	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	137.6	175	178.3	154.7	0	0	0	109.2	F199 V272 Q273 E294 N298 M311 A312	F199-L296 HydrophobicContact CE2-CD2 3.59Å; F199-L296 HydrophobicContact CZ-CD2 3.95Å; V272-L296 WeakPolarHBondContact O-CA 3.12Å; Q273-L296 HydrophobicContact CB-CD1 4.33Å; Q273-L296 HydrophobicContact CG-CD1 4.45Å; E294-L296 PolarHBondContact O-N 3.48Å; L296-N298 WeakPolarHBondContact CD2-OD1 3.14Å; L296-M311 WeakPolarHBondContact O-CA 3.22Å; L296-A312 HydrophobicContact CB-CB 4.39Å; L296-A312 HydrophobicContact CD2-CB 4.48Å; L296-A312 PolarHBondContact N-O 3.32Å; L296-A312 PolarHBondContact O-N 3.38Å
297	Y	94.1	Very high	79.8	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	144.2	169.9	65.1	-85.3	0	0	0	111.8	L32 V33 H36 V272 W282 F299 Q310	L32-Y297 HydrophobicContact CD2-CD2 4.08Å; L32-Y297 HydrophobicContact CD2-CE2 4.36Å; L32-Y297 HydrophobicContact CD2-CG 4.18Å; V33-Y297 HydrophobicContact CG2-CE2 4Å; H36-Y297 HydrophobicContact CB-CE1 4.07Å; H36-Y297 AromaticContact CD2-CE1 3.98Å; H36-Y297 AromaticContact CG-CE1 3.68Å; H36-Y297 AromaticContact ND1-CE1 3.78Å; V272-Y297 HydrophobicContact CB-CD1 4.03Å; V272-Y297 HydrophobicContact CB-CD2 4.28Å; V272-Y297 HydrophobicContact CB-CE1 3.51Å; V272-Y297 HydrophobicContact CB-CE2 3.74Å; V272-Y297 HydrophobicContact CB-CG 4.42Å; V272-Y297 HydrophobicContact CG1-CD1 4.39Å; V272-Y297 HydrophobicContact CG1-CE1 3.55Å; V272-Y297 HydrophobicContact CG1-CE2 4.48Å; V272-Y297 WeakPolarHBondContact CG1-OH 3.45Å; V272-Y297 HydrophobicContact CG2-CE1 4.29Å; V272-Y297 HydrophobicContact CG2-CE2 3.71Å; V272-Y297 PolarHBondContact N-O 3.36Å; V272-Y297 PolarHBondContact O-N 3Å; W282-Y297 AromaticContact CH2-CD1 3.9Å; W282-Y297 HydrophobicContact CH2-CD1 3.9Å; W282-Y297 HydrophobicContact CH2-CG 4.48Å; W282-Y297 AromaticContact CZ2-CD1 3.34Å; W282-Y297 HydrophobicContact CZ2-CD1 3.34Å; W282-Y297 HydrophobicContact CZ2-CE1 4.12Å; W282-Y297 AromaticContact CZ2-CG 3.89Å; W282-Y297 HydrophobicContact CZ2-CG 3.89Å; Y297-F299 HydrophobicContact CD2-CD2 4Å; Y297-F299 AromaticContact CD2-CE2 3.72Å; Y297-F299 HydrophobicContact CD2-CE2 3.72Å; Y297-F299 HydrophobicContact CE2-CD2 4.16Å; Y297-F299 AromaticContact CE2-CE2 3.78Å; Y297-F299 HydrophobicContact CE2-CE2 3.78Å; Y297-Q310 CarbonylContact C-O 3.49Å; Y297-Q310 WeakPolarHBondContact CA-O 3.48Å
298	N	96.7	Very high	81.9	Confident	5 Å²	5	45.3 Å²	45.3	3%	0.027	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.9	176.1	-56.8	-30.3	0	0	0	110.2	F199 L270 S271 L296 L309 Q310	F199-N298 WeakPolarHBondContact CD2-ND2 2.97Å; F199-N298 WeakPolarHBondContact CE2-ND2 3.23Å; L270-N298 CarbonylContact O-C 3.47Å; L270-N298 WeakPolarHBondContact O-CA 3.34Å; S271-N298 WeakPolarHBondContact CA-OD1 3.33Å; S271-N298 WeakPolarHBondContact CB-OD1 3.33Å; S271-N298 VanDerWaalsContact OG-CG 3.26Å; S271-N298 PolarHBondContact OG-OD1 3.48Å; L296-N298 WeakPolarHBondContact CD2-OD1 3.14Å; N298-L309 WeakPolarHBondContact O-CA 3.22Å; N298-Q310 HydrophobicContact CB-CB 4.16Å; N298-Q310 PolarHBondContact N-O 3.45Å; N298-Q310 PolarHBondContact ND2-OE1 3.06Å; N298-Q310 PolarHBondContact O-N 2.85Å
299	F	98.3	Very high	83.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	124.6	160.5	-74.7	-87.9	0	0	0	108.9	F22 H29 V33 L252 T269 L270 Y297 I301 Y307 W308 L309	F22-F299 HydrophobicContact CZ-CD1 4.42Å; H29-F299 HydrophobicContact CB-CE1 3.74Å; H29-F299 HydrophobicContact CB-CZ 3.96Å; V33-F299 HydrophobicContact CG2-CE2 3.8Å; V33-F299 HydrophobicContact CG2-CZ 4.19Å; L252-F299 HydrophobicContact CD1-CB 4.3Å; L252-F299 HydrophobicContact CD1-CD1 4.26Å; L252-F299 HydrophobicContact CD1-CD2 4.23Å; L252-F299 HydrophobicContact CD1-CG 4Å; L252-F299 HydrophobicContact CD2-CE1 4.43Å; L252-F299 HydrophobicContact CD2-CE2 4.18Å; L252-F299 HydrophobicContact CD2-CZ 4.13Å; T269-F299 CarbonylContact C-O 3.04Å; T269-F299 VanDerWaalsContact CA-O 3.31Å; T269-F299 WeakPolarHBondContact CA-O 3.3Å; L270-F299 HydrophobicContact CB-CB 4.3Å; L270-F299 PolarHBondContact N-O 2.91Å; L270-F299 PolarHBondContact O-N 3.43Å; Y297-F299 HydrophobicContact CD2-CD2 4Å; Y297-F299 AromaticContact CD2-CE2 3.72Å; Y297-F299 HydrophobicContact CD2-CE2 3.72Å; Y297-F299 HydrophobicContact CE2-CD2 4.16Å; Y297-F299 AromaticContact CE2-CE2 3.78Å; Y297-F299 HydrophobicContact CE2-CE2 3.78Å; F299-I301 HydrophobicContact CB-CD1 4.36Å; F299-I301 HydrophobicContact CB-CG1 4.07Å; F299-Y307 AromaticContact CD1-CD2 3.62Å; F299-Y307 HydrophobicContact CD1-CD2 3.62Å; F299-Y307 HydrophobicContact CD1-CE2 4.16Å; F299-Y307 HydrophobicContact CD1-CG 4.06Å; F299-Y307 AromaticContact CE1-CD2 3.69Å; F299-Y307 HydrophobicContact CE1-CD2 3.69Å; F299-Y307 AromaticContact CE1-CE2 3.71Å; F299-Y307 HydrophobicContact CE1-CE2 3.71Å; F299-Y307 HydrophobicContact CE1-CG 4.34Å; F299-W308 CarbonylContact C-O 3.51Å; F299-W308 VanDerWaalsContact CA-O 3.31Å; F299-W308 WeakPolarHBondContact CA-O 3.37Å; F299-L309 HydrophobicContact CE1-CD1 4.19Å; F299-L309 HydrophobicContact CE2-CD1 4.19Å; F299-L309 HydrophobicContact CZ-CD1 3.94Å
300	V	98.4	Very high	85.7	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	111.1	164.9	-173.3	0	0	0	0	106.2	L180 L198 W267 F302 Y307 W308	L180-V300 HydrophobicContact CD1-CG1 3.98Å; L198-V300 HydrophobicContact CD2-CB 4.38Å; L198-V300 HydrophobicContact CD2-CG1 3.97Å; L198-V300 HydrophobicContact CD2-CG2 3.53Å; W267-V300 HydrophobicContact CB-CG1 4.38Å; V300-F302 HydrophobicContact CB-CE2 4.42Å; V300-F302 HydrophobicContact CG1-CE2 4.05Å; V300-F302 HydrophobicContact CG1-CZ 3.89Å; V300-Y307 CarbonylContact O-C 3.46Å; V300-Y307 WeakPolarHBondContact O-CA 3.41Å; V300-Y307 WeakPolarHBondContact O-CB 3.03Å; V300-W308 HydrophobicContact CB-CB 4.05Å; V300-W308 HydrophobicContact CB-CE3 4.31Å; V300-W308 HydrophobicContact CG1-CE3 4.38Å; V300-W308 HydrophobicContact CG2-CB 4.32Å; V300-W308 HydrophobicContact CG2-CE3 4.29Å; V300-W308 PolarHBondContact N-O 3.35Å; V300-W308 PolarHBondContact O-N 3.38Å
301	I	98.4	Very high	87.5	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	124.3	-168.6	-57.7	169.2	0	0	0	108.4	F22 L252 L255 F259 W267 V268 F299	F22-I301 HydrophobicContact CE2-CB 4.44Å; F22-I301 HydrophobicContact CE2-CG1 4.13Å; F22-I301 HydrophobicContact CE2-CG2 3.84Å; F22-I301 HydrophobicContact CZ-CD1 4.35Å; F22-I301 HydrophobicContact CZ-CG1 4.03Å; L252-I301 HydrophobicContact CD1-CD1 3.76Å; L255-I301 HydrophobicContact CB-CD1 3.77Å; F259-I301 HydrophobicContact CD2-CG2 4.29Å; F259-I301 HydrophobicContact CE2-CG2 4.07Å; W267-I301 CarbonylContact C-O 3.58Å; W267-I301 WeakPolarHBondContact CA-O 3.23Å; W267-I301 WeakPolarHBondContact CB-O 3.45Å; V268-I301 HydrophobicContact CG2-CB 3.76Å; V268-I301 HydrophobicContact CG2-CD1 4.18Å; V268-I301 HydrophobicContact CG2-CG1 4.45Å; V268-I301 HydrophobicContact CG2-CG2 4.21Å; V268-I301 PolarHBondContact N-O 2.88Å; V268-I301 PolarHBondContact O-N 3.27Å; F299-I301 HydrophobicContact CB-CD1 4.36Å; F299-I301 HydrophobicContact CB-CG1 4.07Å
302	F	98.1	Very high	89.4	Confident	11 Å²	11	24.4 Å²	24.4	5%	0.048	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	160.3	-179.4	-62	-87.1	0	0	0	111.6	L180 W267 V300 N304 Q305 D306 W308	L180-F302 HydrophobicContact CB-CE1 3.91Å; L180-F302 HydrophobicContact CB-CZ 4.28Å; L180-F302 HydrophobicContact CD1-CE1 4.29Å; L180-F302 HydrophobicContact CD1-CZ 4.3Å; W267-F302 HydrophobicContact CB-CD1 4.03Å; W267-F302 HydrophobicContact CB-CE1 4.21Å; V300-F302 HydrophobicContact CB-CE2 4.42Å; V300-F302 HydrophobicContact CG1-CE2 4.05Å; V300-F302 HydrophobicContact CG1-CZ 3.89Å; F302-N304 VanDerWaalsContact CB-OD1 3.27Å; F302-N304 WeakPolarHBondContact CB-OD1 3.38Å; F302-N304 PolarHBondContact O-N 2.95Å; F302-N304 VanDerWaalsContact O-N 3.16Å; F302-Q305 PolarHBondContact O-N 3.29Å; F302-D306 HydrophobicContact CB-CB 4.45Å; F302-D306 HydrophobicContact CD2-CB 4.3Å; F302-D306 PolarHBondContact N-O 3.02Å; F302-W308 AromaticContact CE2-CD1 3.69Å; F302-W308 AromaticContact CE2-CD2 3.78Å; F302-W308 HydrophobicContact CE2-CD2 3.78Å; F302-W308 AromaticContact CE2-CE2 3.75Å; F302-W308 HydrophobicContact CE2-CE3 4.48Å; F302-W308 AromaticContact CE2-CG 3.8Å; F302-W308 HydrophobicContact CE2-CG 3.8Å; F302-W308 AromaticContact CE2-NE1 3.63Å; F302-W308 AromaticContact CZ-CD2 3.79Å; F302-W308 HydrophobicContact CZ-CD2 3.79Å; F302-W308 AromaticContact CZ-CE2 3.62Å; F302-W308 HydrophobicContact CZ-CE3 4.15Å; F302-W308 HydrophobicContact CZ-CG 4.31Å; F302-W308 HydrophobicContact CZ-CH2 4.31Å; F302-W308 AromaticContact CZ-CZ2 3.94Å; F302-W308 HydrophobicContact CZ-CZ2 3.94Å; F302-W308 HydrophobicContact CZ-CZ3 4.38Å; F302-W308 AromaticContact CZ-NE1 3.94Å
303	N	96.4	Very high	90.4	Very high	104 Å²	104	23.1 Å²	23.1	56%	0.556	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-13.6	-179.2	64.3	11.2	0	0	0	115.1	F259	F259-N303 HydrophobicContact CB-CB 4.25Å; F259-N303 HydrophobicContact CD1-CB 3.65Å; F259-N303 HydrophobicContact CD2-CB 4.47Å; F259-N303 HydrophobicContact CE1-CB 4.03Å; F259-N303 HydrophobicContact CG-CB 3.89Å
304	N	95.6	Very high	91.1	Very high	76 Å²	76	23.4 Å²	23.4	41%	0.406	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	19	180	71	-23.9	0	0	0	112.9	N21 F302 D306	N21-N304 PolarHBondContact ND2-O 3.16Å; F302-N304 VanDerWaalsContact CB-OD1 3.27Å; F302-N304 WeakPolarHBondContact CB-OD1 3.38Å; F302-N304 PolarHBondContact O-N 2.95Å; F302-N304 VanDerWaalsContact O-N 3.16Å; N304-D306 PolarHBondContact ND2-OD2 2.98Å; N304-D306 PolarHBondContact O-N 3.14Å; N304-D306 VanDerWaalsContact OD1-CB 3.29Å; N304-D306 WeakPolarHBondContact OD1-CB 3.36Å; N304-D306 PolarHBondContact OD1-N 3.15Å
305	Q	96	Very high	90.8	Very high	95 Å²	95	20.5 Å²	20.5	44%	0.444	12%	0.115	S	C	.	.	S	Bend	trans	64.2	7.4	-174.5	-54.5	-176.9	-6	0	0	115.2	N21 F22 F302	N21-Q305 CarbonylContact C-O 2.83Å; N21-Q305 WeakPolarHBondContact CA-O 3.24Å; N21-Q305 PolarHBondContact ND2-O 3.2Å; F22-Q305 HydrophobicContact CB-CB 4.45Å; F22-Q305 WeakPolarHBondContact CD2-O 3.34Å; F22-Q305 PolarHBondContact N-O 2.65Å; F302-Q305 PolarHBondContact O-N 3.29Å
306	D	97.9	Very high	89.9	Confident	20 Å²	20	23.8 Å²	23.8	11%	0.107	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	153.3	167.7	-69.2	-19	0	0	0	110.1	K19 S20 N21 S182 F302 N304	K19-D306 WeakPolarHBondContact CE-OD2 3.4Å; K19-D306 IonicContact NZ-OD2 3.63Å; S20-D306 WeakPolarHBondContact O-CA 3.24Å; N21-D306 PolarHBondContact ND2-OD1 3.23Å; S182-D306 WeakPolarHBondContact OG-CB 3.19Å; S182-D306 VanDerWaalsContact OG-CG 3.31Å; S182-D306 PolarHBondContact OG-OD2 3.35Å; F302-D306 HydrophobicContact CB-CB 4.45Å; F302-D306 HydrophobicContact CD2-CB 4.3Å; F302-D306 PolarHBondContact N-O 3.02Å; N304-D306 PolarHBondContact ND2-OD2 2.98Å; N304-D306 PolarHBondContact O-N 3.14Å; N304-D306 VanDerWaalsContact OD1-CB 3.29Å; N304-D306 WeakPolarHBondContact OD1-CB 3.36Å; N304-D306 PolarHBondContact OD1-N 3.15Å
307	Y	98.3	Very high	88.6	Confident	6 Å²	6	22.8 Å²	22.8	2%	0.024	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	150.2	167.3	64.6	-90	0	0	0	111.8	K19 S20 F22 S27 H29 F299 V300 L309	K19-Y307 WeakPolarHBondContact CA-O 3.29Å; S20-Y307 VanDerWaalsContact CB-CZ 3.43Å; S20-Y307 WeakPolarHBondContact CB-OH 3.14Å; S20-Y307 PolarHBondContact N-O 2.76Å; S20-Y307 PolarHBondContact O-N 2.84Å; S20-Y307 PolarHBondContact OG-OH 2.94Å; F22-Y307 AromaticContact CD1-CD1 3.97Å; F22-Y307 HydrophobicContact CD1-CD1 3.97Å; F22-Y307 HydrophobicContact CD1-CE1 4.11Å; F22-Y307 AromaticContact CD2-CD1 3.77Å; F22-Y307 HydrophobicContact CD2-CD1 3.77Å; F22-Y307 AromaticContact CE1-CD1 3.8Å; F22-Y307 HydrophobicContact CE1-CD1 3.8Å; F22-Y307 HydrophobicContact CE1-CE1 4.15Å; F22-Y307 HydrophobicContact CE1-CG 4.36Å; F22-Y307 AromaticContact CE2-CD1 3.57Å; F22-Y307 HydrophobicContact CE2-CD1 3.57Å; F22-Y307 AromaticContact CE2-CG 3.96Å; F22-Y307 HydrophobicContact CE2-CG 3.96Å; F22-Y307 AromaticContact CG-CD1 3.95Å; F22-Y307 HydrophobicContact CG-CD1 3.95Å; F22-Y307 HydrophobicContact CG-CE1 4.32Å; F22-Y307 AromaticContact CZ-CD1 3.58Å; F22-Y307 HydrophobicContact CZ-CD1 3.58Å; F22-Y307 HydrophobicContact CZ-CE1 4.38Å; F22-Y307 AromaticContact CZ-CG 3.84Å; F22-Y307 HydrophobicContact CZ-CG 3.84Å; S27-Y307 WeakPolarHBondContact OG-CE1 2.97Å; S27-Y307 PolarHBondContact OG-OH 3.18Å; H29-Y307 HydrophobicContact CB-CE1 4.15Å; H29-Y307 HydrophobicContact CB-CE2 4.37Å; F299-Y307 AromaticContact CD1-CD2 3.62Å; F299-Y307 HydrophobicContact CD1-CD2 3.62Å; F299-Y307 HydrophobicContact CD1-CE2 4.16Å; F299-Y307 HydrophobicContact CD1-CG 4.06Å; F299-Y307 AromaticContact CE1-CD2 3.69Å; F299-Y307 HydrophobicContact CE1-CD2 3.69Å; F299-Y307 AromaticContact CE1-CE2 3.71Å; F299-Y307 HydrophobicContact CE1-CE2 3.71Å; F299-Y307 HydrophobicContact CE1-CG 4.34Å; V300-Y307 CarbonylContact O-C 3.46Å; V300-Y307 WeakPolarHBondContact O-CA 3.41Å; V300-Y307 WeakPolarHBondContact O-CB 3.03Å; Y307-L309 HydrophobicContact CD2-CB 4.15Å; Y307-L309 HydrophobicContact CE2-CB 4.01Å
308	W	98.1	Very high	87.2	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	134.6	158.6	-57.2	-17.6	0	0	0	109.5	E18 L180 Q181 S182 L185 A195 L198 F299 V300 F302	E18-W308 CarbonylContact O-C 3.56Å; E18-W308 VanDerWaalsContact O-CA 3.29Å; E18-W308 WeakPolarHBondContact O-CA 3.27Å; L180-W308 HydrophobicContact CB-CH2 4.15Å; L180-W308 HydrophobicContact CB-CZ3 4.49Å; L180-W308 HydrophobicContact CD1-CZ3 4.05Å; L180-W308 HydrophobicContact CD2-CH2 4.02Å; L180-W308 HydrophobicContact CD2-CZ3 3.89Å; L180-W308 HydrophobicContact CG-CH2 4.46Å; L180-W308 HydrophobicContact CG-CZ3 4.37Å; Q181-W308 VanDerWaalsContact O-CZ2 3.28Å; Q181-W308 WeakPolarHBondContact O-CZ2 3.36Å; S182-W308 PolarHBondContact O-NE1 3.31Å; L185-W308 HydrophobicContact CD2-CB 4.34Å; L185-W308 VanDerWaalsContact CD2-CD1 3.46Å; L185-W308 HydrophobicContact CD2-CD2 3.76Å; L185-W308 HydrophobicContact CD2-CG 3.64Å; L185-W308 HydrophobicContact CD2-CZ2 4.26Å; A195-W308 HydrophobicContact CB-CD2 4.33Å; A195-W308 HydrophobicContact CB-CE3 3.74Å; A195-W308 HydrophobicContact CB-CH2 4.3Å; A195-W308 HydrophobicContact CB-CZ3 3.74Å; L198-W308 HydrophobicContact CD2-CE3 4.21Å; L198-W308 HydrophobicContact CD2-CZ3 4.11Å; F299-W308 CarbonylContact C-O 3.51Å; F299-W308 VanDerWaalsContact CA-O 3.31Å; F299-W308 WeakPolarHBondContact CA-O 3.37Å; V300-W308 HydrophobicContact CB-CB 4.05Å; V300-W308 HydrophobicContact CB-CE3 4.31Å; V300-W308 HydrophobicContact CG1-CE3 4.38Å; V300-W308 HydrophobicContact CG2-CB 4.32Å; V300-W308 HydrophobicContact CG2-CE3 4.29Å; V300-W308 PolarHBondContact N-O 3.35Å; V300-W308 PolarHBondContact O-N 3.38Å; F302-W308 AromaticContact CE2-CD1 3.69Å; F302-W308 AromaticContact CE2-CD2 3.78Å; F302-W308 HydrophobicContact CE2-CD2 3.78Å; F302-W308 AromaticContact CE2-CE2 3.75Å; F302-W308 HydrophobicContact CE2-CE3 4.48Å; F302-W308 AromaticContact CE2-CG 3.8Å; F302-W308 HydrophobicContact CE2-CG 3.8Å; F302-W308 AromaticContact CE2-NE1 3.63Å; F302-W308 AromaticContact CZ-CD2 3.79Å; F302-W308 HydrophobicContact CZ-CD2 3.79Å; F302-W308 AromaticContact CZ-CE2 3.62Å; F302-W308 HydrophobicContact CZ-CE3 4.15Å; F302-W308 HydrophobicContact CZ-CG 4.31Å; F302-W308 HydrophobicContact CZ-CH2 4.31Å; F302-W308 AromaticContact CZ-CZ2 3.94Å; F302-W308 HydrophobicContact CZ-CZ2 3.94Å; F302-W308 HydrophobicContact CZ-CZ3 4.38Å; F302-W308 AromaticContact CZ-NE1 3.94Å
309	L	96.9	Very high	85.6	Confident	5 Å²	5	28.5 Å²	28.5	3%	0.026	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.3	170.9	171.3	66.1	0	0	0	107.7	C17 E18 L32 N298 F299 Y307 M311	C17-L309 CarbonylContact C-O 3.55Å; C17-L309 WeakPolarHBondContact CA-O 3.37Å; E18-L309 HydrophobicContact CB-CB 4.38Å; E18-L309 PolarHBondContact N-O 2.82Å; E18-L309 PolarHBondContact O-N 2.88Å; L32-L309 HydrophobicContact CD1-CD1 4.06Å; L32-L309 HydrophobicContact CD1-CD2 3.44Å; L32-L309 VanDerWaalsContact CD1-CD2 3.44Å; L32-L309 HydrophobicContact CD1-CG 4.33Å; L32-L309 HydrophobicContact CD2-CD1 4.33Å; N298-L309 WeakPolarHBondContact O-CA 3.22Å; F299-L309 HydrophobicContact CE1-CD1 4.19Å; F299-L309 HydrophobicContact CE2-CD1 4.19Å; F299-L309 HydrophobicContact CZ-CD1 3.94Å; Y307-L309 HydrophobicContact CD2-CB 4.15Å; Y307-L309 HydrophobicContact CE2-CB 4.01Å; L309-M311 HydrophobicContact CD1-CG 4.08Å; L309-M311 HydrophobicContact CD2-CE 3.9Å; L309-M311 HydrophobicContact CD2-SD 4.27Å; L309-M311 HydrophobicContact CG-CE 4.3Å; L309-M311 HydrophobicContact CG-CG 4.15Å
310	Q	94.8	Very high	84.3	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.3	175	-55.3	170.7	-30.2	0	0	108	V16 A195 F199 Y297 N298	V16-Q310 CarbonylContact O-C 3.58Å; V16-Q310 WeakPolarHBondContact O-CA 3.25Å; A195-Q310 PolarHBondContact O-NE2 3.28Å; F199-Q310 HydrophobicContact CD2-CB 3.99Å; Y297-Q310 CarbonylContact C-O 3.49Å; Y297-Q310 WeakPolarHBondContact CA-O 3.48Å; N298-Q310 HydrophobicContact CB-CB 4.16Å; N298-Q310 PolarHBondContact N-O 3.45Å; N298-Q310 PolarHBondContact ND2-OE1 3.06Å; N298-Q310 PolarHBondContact O-N 2.85Å
311	M	90.8	Very high	82.3	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119.1	178.4	-67.1	179.6	-77	0	0	109.3	L15 V16 L32 L296 L309 C319 P320	L15-M311 WeakPolarHBondContact CA-O 3.16Å; L15-M311 WeakPolarHBondContact CD1-O 3.5Å; V16-M311 HydrophobicContact CB-CB 4.48Å; V16-M311 HydrophobicContact CB-CE 4.17Å; V16-M311 HydrophobicContact CG1-CE 3.98Å; V16-M311 PolarHBondContact N-O 3.4Å; V16-M311 PolarHBondContact O-N 3.17Å; L32-M311 HydrophobicContact CD1-CE 4.41Å; L32-M311 HydrophobicContact CD1-SD 3.63Å; L296-M311 WeakPolarHBondContact O-CA 3.22Å; L309-M311 HydrophobicContact CD1-CG 4.08Å; L309-M311 HydrophobicContact CD2-CE 3.9Å; L309-M311 HydrophobicContact CD2-SD 4.27Å; L309-M311 HydrophobicContact CG-CE 4.3Å; L309-M311 HydrophobicContact CG-CG 4.15Å; M311-C319 VanDerWaalsContact CE-SG 3.52Å; M311-C319 VanDerWaalsContact SD-SG 3.7Å; M311-P320 HydrophobicContact SD-CG 4.23Å
312	A	85.4	Confident	81.5	Confident	20 Å²	20	37.2 Å²	37.2	17%	0.165	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	126.8	171.1	0	0	0	0	0	109.1	L15 F199 L296	L15-A312 HydrophobicContact CD1-CB 3.92Å; F199-A312 HydrophobicContact CE2-CB 4.13Å; F199-A312 HydrophobicContact CZ-CB 3.67Å; L296-A312 HydrophobicContact CB-CB 4.39Å; L296-A312 HydrophobicContact CD2-CB 4.48Å; L296-A312 PolarHBondContact N-O 3.32Å; L296-A312 PolarHBondContact O-N 3.38Å
313	V	74	Confident	80.7	Confident	10 Å²	10	38.5 Å²	38.5	6%	0.061	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	135.5	-173.8	-178.1	0	0	0	0	109.6	L14 D317 C319	L14-V313 HydrophobicContact CB-CB 4.45Å; L14-V313 PolarHBondContact N-O 3.36Å; L14-V313 PolarHBondContact O-N 2.98Å; V313-D317 HydrophobicContact CG1-CB 3.21Å; V313-D317 WeakPolarHBondContact CG1-O 3.42Å; V313-C319 HydrophobicContact CG2-CB 3.77Å
314	G	67.6	Low	79.8	Confident	9 Å²	9	34.9 Å²	34.9	9%	0.093	20%	0.201	C	C	.	.			trans	-58.5	162.1	177.2	0	0	0	0	0	113.8	N316 D317	G314-N316 PolarHBondContact O-N 3.12Å; G314-D317 PolarHBondContact O-N 3.13Å; G314-D317 VanDerWaalsContact O-N 3.1Å
315	A	60.6	Low	78.9	Confident	30 Å²	30	32.5 Å²	32.5	25%	0.248	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-25.6	-171.9	0	0	0	0	0	116.3	R12	R12-A315 HydrophobicContact CB-CB 3.96Å; R12-A315 WeakPolarHBondContact CB-O 3.32Å; R12-A315 WeakPolarHBondContact O-CA 3.48Å; R12-A315 WeakPolarHBondContact O-CB 2.91Å
316	N	61.2	Low	77.8	Confident	72 Å²	72	28.6 Å²	28.6	39%	0.385	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	5.6	-175.4	-51.8	-54	0	0	0	113	G314	G314-N316 PolarHBondContact O-N 3.12Å
317	D	62.9	Low	76.5	Confident	13 Å²	13	29.1 Å²	29.1	7%	0.07	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-94.1	157	-176.1	-80.3	38.8	0	0	0	110.5	S281 H287 G288 V313 G314	S281-D317 PolarHBondContact OG-OD2 3.05Å; H287-D317 WeakPolarHBondContact CA-OD1 2.88Å; H287-D317 WeakPolarHBondContact CA-OD2 3.33Å; H287-D317 WeakPolarHBondContact CB-OD2 3.47Å; H287-D317 IonicContact CD2-OD2 3.34Å; H287-D317 PolarHBondContact CD2-OD2 2.82Å; H287-D317 IonicContact CG-OD2 3.47Å; G288-D317 PolarHBondContact N-OD1 3.43Å; V313-D317 HydrophobicContact CG1-CB 3.21Å; V313-D317 WeakPolarHBondContact CG1-O 3.42Å; G314-D317 PolarHBondContact O-N 3.13Å; G314-D317 VanDerWaalsContact O-N 3.1Å
318	H	65.6	Low	74.9	Confident	95 Å²	95	30.8 Å²	30.8	44%	0.44	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-98.8	140.1	173.6	-72	-69.2	0	0	0	111.2	F136 N285	F136-H318 AromaticContact CE1-CD2 3.31Å; F136-H318 WeakPolarHBondContact CE1-CD2 3.35Å; F136-H318 AromaticContact CE1-NE2 3.53Å; F136-H318 AromaticContact CE2-NE2 3.67Å; F136-H318 AromaticContact CZ-CD2 3.16Å; F136-H318 WeakPolarHBondContact CZ-CD2 3.22Å; F136-H318 AromaticContact CZ-NE2 2.94Å; F136-H318 WeakPolarHBondContact CZ-NE2 3.48Å; N285-H318 HydrophobicContact CB-CB 4.43Å; N285-H318 PolarHBondContact ND2-O 3.49Å
319	C	62.8	Low	73.1	Confident	30 Å²	30	33.2 Å²	33.2	20%	0.203	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-88.9	126.8	171.8	-161.5	0	0	0	0	109.6	L14 V16 M311 V313	L14-C319 HydrophobicContact CD2-CB 3.92Å; V16-C319 HydrophobicContact CG2-CB 3.87Å; V16-C319 WeakPolarHBondContact CG2-SG 3.5Å; M311-C319 VanDerWaalsContact CE-SG 3.52Å; M311-C319 VanDerWaalsContact SD-SG 3.7Å; V313-C319 HydrophobicContact CG2-CB 3.77Å
320	P	69.7	Low	71.1	Confident	28 Å²	28	35.5 Å²	35.5	18%	0.182	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-69.2	154.7	171.6	31.5	-35.8	0	0	0	111.3	W282 M311	W282-P320 HydrophobicContact CB-CG 3.9Å; W282-P320 HydrophobicContact CD2-CG 4.08Å; W282-P320 HydrophobicContact CG-CG 3.72Å; M311-P320 HydrophobicContact SD-CG 4.23Å
321	P	58.1	Low	69	Low	117 Å²	117	38.6 Å²	38.6	76%	0.76	24%	0.237	S	C	*	.			trans	-95.8	0	-178.3	39.5	-37.9	0	0	0	114.9	R28	R28-P321 PolarHBondContact NH1-O 3.37Å; R28-P321 PolarHBondContact NH1-OXT 3.32Å

Retrieved 321 of 321 residues in 283.1 ms (Link to these results)

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