A0A090KKG3_HUMAN Loading...

HLA class I antigen

Involved in the presentation of foreign antigens to the immune system.

AlphaFold DB , UniProt , Accession A0A090KKG3, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 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	34.7	Very low	39.7	Very low	244 Å²	244	156.1 Å²	156.1	100%	1.202	79%	0.792	S	S	*	*				0	100.8	0	-73.8	164.2	168.4	0	0	107.8
2	R	30.5	Very low	39.9	Very low	252 Å²	252	155.2 Å²	155.2	95%	0.951	79%	0.789	S	S	*	*			trans	-88	111.8	173.4	-87.5	-179.4	173.7	164.8	-2.1	107	M4	R2-M4 PolarHBondContact O-N 3.34Å
3	V	33.4	Very low	39.7	Very low	142 Å²	142	151.4 Å²	151.4	86%	0.861	77%	0.771	S	S	*	*			trans	-71.2	112.8	172.3	177.8	0	0	0	0	107	A5	V3-A5 PolarHBondContact O-N 2.85Å
4	M	34.6	Very low	39.7	Very low	182 Å²	182	144.9 Å²	144.9	90%	0.897	75%	0.746	S	S	*	*			trans	-87.7	100.5	177.9	-155	166	68	0	0	106.8	R2	R2-M4 PolarHBondContact O-N 3.34Å
5	A	38.1	Very low	39.7	Very low	75 Å²	75	137.9 Å²	137.9	62%	0.62	72%	0.724	S	S	*	*			trans	-67.3	142.4	173.8	0	0	0	0	0	110	V3 R7	V3-A5 PolarHBondContact O-N 2.85Å; A5-R7 PolarHBondContact O-N 3.24Å; A5-R7 VanDerWaalsContact O-N 3.15Å
6	P	40.9	Very low	39.8	Very low	101 Å²	101	132.6 Å²	132.6	66%	0.656	71%	0.707	S	S	*	*			trans	-72.6	111.1	-174.9	29.5	-32.1	0	0	0	110	T8	P6-T8 PolarHBondContact O-N 3.29Å
7	R	47.3	Very low	39.6	Very low	227 Å²	227	130.9 Å²	130.9	86%	0.857	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	5.2	175.4	-87.8	-179.8	165.6	151.7	-5	114.2	A5	A5-R7 PolarHBondContact O-N 3.24Å; A5-R7 VanDerWaalsContact O-N 3.15Å
8	T	47.5	Very low	39.6	Very low	110 Å²	110	126.9 Å²	126.9	68%	0.675	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-12	-174.3	31.6	0	0	0	0	114.5	P6	P6-T8 PolarHBondContact O-N 3.29Å
9	L	42.8	Very low	39.6	Very low	127 Å²	127	124.9 Å²	124.9	67%	0.665	67%	0.674	S	S	*	*	S	Bend	trans	-88.2	-15.5	-179.6	-127.5	99.6	0	0	0	114.7
10	I	43.1	Very low	39.6	Very low	123 Å²	123	122.7 Å²	122.7	63%	0.631	66%	0.664	S	S	*	*	H	α-helix	trans	-83.6	-25.7	-173.8	-65	173.2	0	0	0	111.9	S14	I10-S14 PolarHBondContact O-N 3.34Å; I10-S14 PolarHBondContact O-OG 2.92Å
11	L	44.3	Very low	39.6	Very low	134 Å²	134	124.7 Å²	124.7	70%	0.702	67%	0.67	S	S	*	*	H	α-helix	trans	-77	-30.9	-175.7	-78.9	160.1	0	0	0	113.8	S14 G15	L11-S14 PolarHBondContact O-N 3.26Å; L11-G15 PolarHBondContact O-N 2.93Å
12	L	41.6	Very low	40.1	Very low	145 Å²	145	117 Å²	117	76%	0.759	64%	0.637	S	S	*	*	H	α-helix	trans	-74.8	-36.7	179.1	-73.2	166	0	0	0	112.5	S14 G15	L12-S14 VanDerWaalsContact C-N 3.31Å; L12-G15 PolarHBondContact O-N 3.41Å
13	L	37.5	Very low	41	Very low	106 Å²	106	109.8 Å²	109.8	56%	0.555	61%	0.609	S	S	*	*	H	α-helix	trans	-70.2	-28.9	173.7	-77.8	158.4	0	0	0	112.4	L17	L13-L17 WeakPolarHBondContact O-CB 3.5Å; L13-L17 WeakPolarHBondContact O-CG 3.45Å; L13-L17 PolarHBondContact O-N 3.29Å; L13-L17 VanDerWaalsContact O-N 3.08Å
14	S	39.3	Very low	42.2	Very low	60 Å²	60	106 Å²	106	42%	0.42	59%	0.592	S	S	.	*	H	α-helix	trans	-67.2	-35.3	177.2	-56.1	0	0	0	0	112.4	I10 L11 L12 A18	I10-S14 PolarHBondContact O-N 3.34Å; I10-S14 PolarHBondContact O-OG 2.92Å; L11-S14 PolarHBondContact O-N 3.26Å; L12-S14 VanDerWaalsContact C-N 3.31Å; S14-A18 WeakPolarHBondContact O-CB 3.32Å; S14-A18 PolarHBondContact O-N 3.5Å
15	G	40.5	Very low	44.3	Very low	40 Å²	40	98.7 Å²	98.7	41%	0.412	56%	0.564	S	S	.	*	H	α-helix	trans	-72.2	-40.8	179.5	0	0	0	0	0	113	L11 L12 L19	L11-G15 PolarHBondContact O-N 2.93Å; L12-G15 PolarHBondContact O-N 3.41Å; G15-L19 PolarHBondContact O-N 3.42Å
16	A	41	Very low	46.8	Very low	54 Å²	54	97.1 Å²	97.1	45%	0.446	55%	0.549	S	S	.	.	H	α-helix	trans	-71.7	-42.5	177.8	0	0	0	0	0	112.3	T20	A16-T20 WeakPolarHBondContact O-CG2 3.29Å; A16-T20 PolarHBondContact O-N 3.49Å; A16-T20 VanDerWaalsContact O-N 3.13Å; A16-T20 PolarHBondContact O-OG1 3.3Å
17	L	37	Very low	49.4	Very low	104 Å²	104	93.9 Å²	93.9	55%	0.545	53%	0.525	S	S	.	.	H	α-helix	trans	-69.8	-39.4	179.1	-76.8	164.1	0	0	0	112.8	L13 L19 T20 E21	L13-L17 WeakPolarHBondContact O-CB 3.5Å; L13-L17 WeakPolarHBondContact O-CG 3.45Å; L13-L17 PolarHBondContact O-N 3.29Å; L13-L17 VanDerWaalsContact O-N 3.08Å; L17-L19 VanDerWaalsContact C-N 3.27Å; L17-L19 PolarHBondContact O-N 2.88Å; L17-T20 WeakPolarHBondContact CA-OG1 3.33Å; L17-T20 PolarHBondContact O-N 2.93Å; L17-T20 PolarHBondContact O-OG1 3.35Å; L17-E21 PolarHBondContact O-N 2.93Å; L17-E21 VanDerWaalsContact O-N 3.08Å
18	A	39	Very low	51.8	Low	58 Å²	58	84.2 Å²	84.2	48%	0.479	49%	0.492	S	S	.	.	H	α-helix	trans	-66.3	-28.7	179.2	0	0	0	0	0	112.9	S14 T22	S14-A18 WeakPolarHBondContact O-CB 3.32Å; S14-A18 PolarHBondContact O-N 3.5Å; A18-T22 WeakPolarHBondContact O-CG2 3.37Å
19	L	39	Very low	54.2	Low	89 Å²	89	79 Å²	79	47%	0.466	46%	0.46	S	S	.	.	H	α-helix	trans	-80.9	-36.4	173.3	-95.5	130.9	0	0	0	112	G15 L17 E21 T22 W23	G15-L19 PolarHBondContact O-N 3.42Å; L17-L19 VanDerWaalsContact C-N 3.27Å; L17-L19 PolarHBondContact O-N 2.88Å; L19-E21 PolarHBondContact O-N 3.32Å; L19-T22 PolarHBondContact O-OG1 3.29Å; L19-W23 PolarHBondContact O-NE1 2.89Å
20	T	39.3	Very low	56.9	Low	80 Å²	80	75.2 Å²	75.2	49%	0.491	44%	0.437	S	S	.	.	H	α-helix	trans	-69	-31.3	177.7	49.5	0	0	0	0	113.7	A16 L17	A16-T20 WeakPolarHBondContact O-CG2 3.29Å; A16-T20 PolarHBondContact O-N 3.49Å; A16-T20 VanDerWaalsContact O-N 3.13Å; A16-T20 PolarHBondContact O-OG1 3.3Å; L17-T20 WeakPolarHBondContact CA-OG1 3.33Å; L17-T20 PolarHBondContact O-N 2.93Å; L17-T20 PolarHBondContact O-OG1 3.35Å
21	E	40.3	Very low	59.5	Low	166 Å²	166	69.8 Å²	69.8	78%	0.776	41%	0.408	S	S	*	.	H	α-helix	trans	-75.8	-19.2	-179.9	-103.5	-175.8	160.3	0	0	114	L17 L19	L17-E21 PolarHBondContact O-N 2.93Å; L17-E21 VanDerWaalsContact O-N 3.08Å; L19-E21 PolarHBondContact O-N 3.32Å
22	T	46.1	Very low	62.1	Low	83 Å²	83	67.4 Å²	67.4	51%	0.509	39%	0.393	S	S	.	.	H	α-helix	trans	-83.8	-21.4	-172.4	47	0	0	0	0	115	A18 L19	A18-T22 WeakPolarHBondContact O-CG2 3.37Å; L19-T22 PolarHBondContact O-OG1 3.29Å
23	W	49.5	Very low	64.8	Low	100 Å²	100	61.2 Å²	61.2	38%	0.379	36%	0.359	S	S	.	.	H	α-helix	trans	-93.8	-40.9	-170.1	-60.8	95.2	0	0	0	113.6	L19 G25 S26 E236	L19-W23 PolarHBondContact O-NE1 2.89Å; W23-G25 PolarHBondContact O-N 3.41Å; W23-S26 PolarHBondContact O-N 2.92Å; W23-E236 HydrophobicContact CD2-CG 4.32Å; W23-E236 HydrophobicContact CE3-CB 4.08Å; W23-E236 HydrophobicContact CE3-CG 3.85Å; W23-E236 HydrophobicContact CH2-CB 4.13Å; W23-E236 HydrophobicContact CH2-CG 3.26Å; W23-E236 HydrophobicContact CZ2-CG 3.76Å; W23-E236 HydrophobicContact CZ3-CB 3.66Å; W23-E236 HydrophobicContact CZ3-CG 3.31Å
24	A	58.6	Low	67.8	Low	61 Å²	61	58.1 Å²	58.1	50%	0.504	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	107.2	-173.2	0	0	0	0	0	112.1	E288	A24-E288 WeakPolarHBondContact CA-OE1 3.34Å
25	G	76.8	Confident	70.6	Confident	30 Å²	30	55.3 Å²	55.3	31%	0.309	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	8.3	170.2	0	0	0	0	0	116.9	W23 P129	W23-G25 PolarHBondContact O-N 3.41Å; G25-P129 WeakPolarHBondContact O-CA 3.17Å
26	S	91.3	Very high	73.4	Confident	42 Å²	42	55.4 Å²	55.4	29%	0.294	32%	0.318	S	S	.	.			trans	-82.4	144.6	165.9	-62.6	0	0	0	0	110.1	W23 L127	W23-S26 PolarHBondContact O-N 2.92Å; S26-L127 WeakPolarHBondContact CA-O 3.26Å
27	H	95.6	Very high	76.1	Confident	32 Å²	32	53.8 Å²	53.8	15%	0.148	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	153.1	-178.7	-68.2	-75.9	0	0	0	111.5	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.23Å; H27-D53 WeakPolarHBondContact CA-OD1 3.35Å; H27-D53 IonicContact CE1-OD2 3.2Å; H27-D53 IonicContact CG-OD2 3.42Å; H27-D53 IonicContact ND1-OD1 3.97Å; H27-D53 IonicContact ND1-OD2 2.7Å; H27-D53 PolarHBondContact ND1-OD2 3.41Å; H27-D126 CarbonylContact O-C 3.6Å; H27-D126 WeakPolarHBondContact O-CA 3.45Å; H27-L127 PolarHBondContact N-O 3.46Å; H27-L127 PolarHBondContact O-N 3.44Å; H27-L192 HydrophobicContact CB-CD1 4.48Å; H27-L196 HydrophobicContact CB-CD1 3.7Å; H27-L196 HydrophobicContact CB-CD2 4.04Å; H27-L196 HydrophobicContact CB-CG 4.45Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.3Å
28	S	97.6	Very high	78.8	Confident	24 Å²	24	52.1 Å²	52.1	17%	0.168	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	151.6	179.3	67.2	0	0	0	0	112.2	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.54Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.45Å; S28-D53 PolarHBondContact N-OD1 3.39Å; S28-D53 PolarHBondContact O-N 2.84Å; S28-C125 CarbonylContact C-O 3.52Å; S28-C125 WeakPolarHBondContact CA-O 3.14Å; S28-D126 WeakPolarHBondContact CB-OD1 3.4Å
29	M	98.6	Very high	81.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.1	166.4	-176.6	172.9	61.4	0	0	108.2	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.18Å; M29-Y31 HydrophobicContact CG-CE2 4.03Å; M29-Y31 HydrophobicContact SD-CE2 3.97Å; M29-Y51 WeakPolarHBondContact CA-O 3.41Å; M29-V52 HydrophobicContact CG-CG2 4.34Å; M29-F57 HydrophobicContact CG-CE1 4.45Å; M29-F57 HydrophobicContact SD-CZ 4.42Å; M29-G124 CarbonylContact O-C 3.53Å; M29-G124 WeakPolarHBondContact O-CA 3.34Å; M29-C125 PolarHBondContact N-O 3.06Å; M29-C125 PolarHBondContact O-N 3.21Å; M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 VanDerWaalsContact CE-O 3.23Å; M29-C188 WeakPolarHBondContact CE-O 3.38Å; M29-C188 WeakPolarHBondContact CE-SG 3.33Å; M29-W191 HydrophobicContact CE-CB 4.04Å; M29-W191 HydrophobicContact SD-CB 4.37Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.95Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.34Å; M29-L192 HydrophobicContact SD-CB 4.46Å; M29-Y195 HydrophobicContact SD-CD2 3.75Å; M29-Y195 HydrophobicContact SD-CE2 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å
30	R	98.6	Very high	83.7	Confident	48 Å²	48	51.9 Å²	51.9	18%	0.181	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	136.3	-176.8	-56.4	-63	-178.1	78.4	5.7	110.6	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.41Å; R30-F32 HydrophobicContact CB-CE2 3.57Å; R30-F32 HydrophobicContact CB-CZ 3.87Å; R30-G50 CarbonylContact O-C 3.43Å; R30-G50 WeakPolarHBondContact O-CA 3.36Å; R30-Y51 PolarHBondContact N-O 2.89Å; R30-Y51 PolarHBondContact O-N 3.43Å; R30-D126 IonicContact CZ-OD1 3.49Å; R30-D126 IonicContact NE-OD1 2.84Å; R30-D126 PolarHBondContact NE-OD1 2.85Å; R30-D126 VanDerWaalsContact NH2-CG 3.3Å; R30-D126 IonicContact NH2-OD1 3.42Å; R30-D126 PolarHBondContact NH2-OD1 2.86Å; R30-D126 IonicContact NH2-OD2 2.8Å; R30-D126 PolarHBondContact NH2-OD2 3.41Å; R30-Y137 PolarHBondContact NH2-OH 3.47Å
31	Y	98.8	Very high	86.1	Confident	9 Å²	9	58.3 Å²	58.3	4%	0.035	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	138.6	169.4	-69.6	-92.2	0	0	0	109.2	M29 Y33 V49 F57 V58 M122 F123	M29-Y31 HydrophobicContact CE-CE2 4.18Å; M29-Y31 HydrophobicContact CG-CE2 4.03Å; M29-Y31 HydrophobicContact SD-CE2 3.97Å; Y31-Y33 HydrophobicContact CD1-CE1 4.18Å; Y31-Y33 HydrophobicContact CG-CE1 4.45Å; Y31-V49 CarbonylContact C-O 3.56Å; Y31-V49 WeakPolarHBondContact CA-O 3.44Å; Y31-F57 AromaticContact CE1-CZ 3.98Å; Y31-F57 HydrophobicContact CE1-CZ 3.98Å; Y31-F57 AromaticContact CZ-CZ 3.74Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.4Å; Y31-V58 HydrophobicContact CE1-CG1 3.98Å; Y31-M122 WeakPolarHBondContact O-CA 3.38Å; Y31-F123 VanDerWaalsContact CB-CZ 3.43Å; Y31-F123 HydrophobicContact CD2-CD2 4.41Å; Y31-F123 AromaticContact CD2-CE2 3.7Å; Y31-F123 HydrophobicContact CD2-CE2 3.7Å; Y31-F123 AromaticContact CD2-CZ 3.94Å; Y31-F123 HydrophobicContact CD2-CZ 3.94Å; Y31-F123 HydrophobicContact CE2-CE2 4.5Å; Y31-F123 HydrophobicContact CG-CE1 4.39Å; Y31-F123 HydrophobicContact CG-CE2 4.02Å; Y31-F123 AromaticContact CG-CZ 3.76Å; Y31-F123 HydrophobicContact CG-CZ 3.76Å; Y31-F123 PolarHBondContact N-O 3.13Å; Y31-F123 PolarHBondContact O-N 3.33Å; Y31-F123 VanDerWaalsContact O-N 3.15Å
32	F	98.8	Very high	88.5	Confident	85 Å²	85	53.2 Å²	53.2	37%	0.373	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	115	178.2	-56.5	-96.5	0	0	0	108.9	R30 A48 V49 Y51 W121 M122	R30-F32 HydrophobicContact CB-CD2 4.41Å; R30-F32 HydrophobicContact CB-CE2 3.57Å; R30-F32 HydrophobicContact CB-CZ 3.87Å; F32-A48 WeakPolarHBondContact O-CA 3.22Å; F32-V49 HydrophobicContact CB-CG2 3.85Å; F32-V49 HydrophobicContact CD2-CG2 4.31Å; F32-V49 PolarHBondContact N-O 3.49Å; F32-V49 PolarHBondContact O-N 2.93Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.14Å; F32-W121 WeakPolarHBondContact CA-O 3.39Å; F32-M122 HydrophobicContact CD1-CB 4Å; F32-M122 HydrophobicContact CD1-CG 3.53Å; F32-M122 HydrophobicContact CE1-CB 4.2Å; F32-M122 HydrophobicContact CE1-CG 3.32Å; F32-M122 HydrophobicContact CG-CG 4.36Å; F32-M122 HydrophobicContact CZ-CG 4Å
33	Y	98.8	Very high	90.7	Very high	14 Å²	14	53.7 Å²	53.7	6%	0.055	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	141.1	177.3	-60.9	-7.8	0	0	0	109.3	Y31 F46 I47 A48 Y91 Q94 Q120 W121 F123	Y31-Y33 HydrophobicContact CD1-CE1 4.18Å; Y31-Y33 HydrophobicContact CG-CE1 4.45Å; Y33-F46 HydrophobicContact CD1-CZ 4.43Å; Y33-F46 HydrophobicContact CD2-CE2 4.28Å; Y33-F46 AromaticContact CD2-CZ 3.98Å; Y33-F46 HydrophobicContact CD2-CZ 3.98Å; Y33-F46 HydrophobicContact CG-CE2 4.2Å; Y33-F46 AromaticContact CG-CZ 3.93Å; Y33-F46 HydrophobicContact CG-CZ 3.93Å; Y33-I47 CarbonylContact C-O 3.59Å; Y33-I47 WeakPolarHBondContact CA-O 3.41Å; Y33-A48 HydrophobicContact CD1-CB 3.23Å; Y33-A48 HydrophobicContact CE1-CB 3.4Å; Y33-A48 VanDerWaalsContact CE1-CB 3.4Å; Y33-A48 HydrophobicContact CG-CB 4.09Å; Y33-Y91 HydrophobicContact CE1-CD1 4.19Å; Y33-Y91 AromaticContact CE1-CE1 3.77Å; Y33-Y91 HydrophobicContact CE1-CE1 3.77Å; Y33-Y91 AromaticContact CZ-CE1 3.82Å; Y33-Y91 WeakPolarHBondContact OH-CE1 2.93Å; Y33-Q94 HydrophobicContact CD2-CG 3.63Å; Y33-Q94 HydrophobicContact CE2-CB 4.38Å; Y33-Q94 HydrophobicContact CE2-CG 3.81Å; Y33-Q120 VanDerWaalsContact O-CA 3.31Å; Y33-Q120 WeakPolarHBondContact O-CA 3.48Å; Y33-W121 AromaticContact CD2-CE3 3.54Å; Y33-W121 HydrophobicContact CD2-CE3 3.54Å; Y33-W121 AromaticContact CD2-CZ3 3.87Å; Y33-W121 HydrophobicContact CD2-CZ3 3.87Å; Y33-W121 AromaticContact CE2-CE3 3.97Å; Y33-W121 HydrophobicContact CE2-CE3 3.97Å; Y33-W121 AromaticContact CE2-CZ3 3.81Å; Y33-W121 HydrophobicContact CE2-CZ3 3.81Å; Y33-W121 PolarHBondContact N-O 3.29Å; Y33-W121 PolarHBondContact O-N 3.11Å; Y33-F123 HydrophobicContact CD2-CE1 4.03Å; Y33-F123 HydrophobicContact CE1-CE1 4.11Å; Y33-F123 HydrophobicContact CE1-CZ 4.36Å; Y33-F123 AromaticContact CE2-CE1 3.54Å; Y33-F123 HydrophobicContact CE2-CE1 3.54Å; Y33-F123 AromaticContact CE2-CZ 3.97Å; Y33-F123 HydrophobicContact CE2-CZ 3.97Å; Y33-F123 AromaticContact CZ-CE1 3.58Å; Y33-F123 AromaticContact CZ-CZ 3.68Å; Y33-F123 WeakPolarHBondContact OH-CZ 3.45Å
34	T	98.9	Very high	93	Very high	42 Å²	42	50 Å²	50	26%	0.258	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	123.2	177.9	-59.9	0	0	0	0	109.2	V36 F46 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 4.03Å; T34-F46 WeakPolarHBondContact O-CA 3.44Å; T34-I47 PolarHBondContact N-O 3.02Å; T34-I47 PolarHBondContact O-N 3.46Å; T34-T118 HydrophobicContact CG2-CG2 3.99Å; T34-L119 CarbonylContact C-O 3.54Å; T34-L119 WeakPolarHBondContact CA-O 3.49Å; T34-Q120 HydrophobicContact CG2-CG 4.1Å
35	A	98.7	Very high	94.9	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.008	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	121.5	174.6	0	0	0	0	0	110	H45 F46 D98 L102 T118 L119	A35-H45 CarbonylContact C-O 3.55Å; A35-H45 VanDerWaalsContact CA-O 3.26Å; A35-H45 WeakPolarHBondContact CA-O 3.32Å; A35-F46 HydrophobicContact CB-CD2 4.27Å; A35-D98 HydrophobicContact CB-CB 3.63Å; A35-L102 HydrophobicContact CB-CD1 3.87Å; A35-T118 WeakPolarHBondContact O-CA 3.19Å; A35-L119 HydrophobicContact CB-CB 4.46Å; A35-L119 PolarHBondContact N-O 3.13Å; A35-L119 PolarHBondContact O-N 3.07Å
36	V	98.4	Very high	95.9	Very high	42 Å²	42	47.8 Å²	47.8	26%	0.255	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	113.9	-179.5	-174.3	0	0	0	0	109.2	T34 P44 H45 T118	T34-V36 HydrophobicContact CG2-CG2 4.03Å; V36-P44 CarbonylContact O-C 3.58Å; V36-P44 WeakPolarHBondContact O-CA 3.39Å; V36-H45 PolarHBondContact N-O 3.01Å; V36-H45 PolarHBondContact O-N 2.75Å; V36-T118 HydrophobicContact CG2-CG2 4.2Å
37	S	97.7	Very high	96.3	Very high	19 Å²	19	48 Å²	48	13%	0.133	27%	0.266	C	S	.	.			trans	-68.9	142.3	175.1	55.5	0	0	0	0	111.4	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.47Å; S37-S116 PolarHBondContact O-OG 3.45Å; S37-H117 PolarHBondContact N-O 2.67Å; S37-H117 WeakPolarHBondContact OG-CA 3.37Å; S37-H117 PolarHBondContact OG-N 3.48Å; S37-H117 PolarHBondContact OG-O 3.31Å
38	R	95.4	Very high	96.4	Very high	69 Å²	69	46.4 Å²	46.4	26%	0.26	26%	0.259	S	S	.	.			trans	-130.9	77.4	-175.7	-59.4	-179.2	-72.6	-167.5	-8.2	111	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 2.95Å; R38-R41 HydrophobicContact CB-CB 4.06Å; R38-R41 PolarHBondContact O-N 3.36Å; R38-E43 PolarHBondContact NE-O 2.92Å; R38-E43 PolarHBondContact NH2-O 3.46Å; R38-D63 IonicContact CZ-OD1 2.65Å; R38-D63 IonicContact CZ-OD2 3.88Å; R38-D63 IonicContact NH1-OD1 3.64Å; R38-D63 IonicContact NH1-OD2 2.9Å; R38-D63 PolarHBondContact NH1-OD2 3.01Å; R38-D63 IonicContact NH2-OD1 3.91Å; R38-D63 PolarHBondContact NH2-OD1 3.34Å; R38-D63 IonicContact NH2-OD2 3.55Å; R38-D63 PolarHBondContact NH2-OD2 3.44Å
39	P	91.2	Very high	96.5	Very high	52 Å²	52	46.4 Å²	46.4	34%	0.338	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	127.2	-178.5	-27.6	35	0	0	0	112.4	R41 E113 R115	P39-R41 PolarHBondContact O-N 2.94Å; P39-E113 VanDerWaalsContact CB-O 3.24Å; P39-E113 WeakPolarHBondContact CB-O 3.48Å; P39-E113 WeakPolarHBondContact CG-O 3.38Å; P39-R115 VanDerWaalsContact CG-O 3.27Å; P39-R115 WeakPolarHBondContact CG-O 3.33Å
40	G	88.6	Confident	96.5	Very high	90 Å²	90	46.4 Å²	46.4	93%	0.928	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	3.7	-179.7	0	0	0	0	0	116	R38	R38-G40 PolarHBondContact O-N 2.95Å
41	R	90.7	Very high	96.5	Very high	216 Å²	216	47.5 Å²	47.5	82%	0.815	26%	0.262	S	S	*	.	S	Bend	trans	-123.3	24.5	-179.5	-58.6	-175.6	179.6	-170.3	-0.3	113.3	R38 P39	R38-R41 HydrophobicContact CB-CB 4.06Å; R38-R41 PolarHBondContact O-N 3.36Å; P39-R41 PolarHBondContact O-N 2.94Å
42	G	89.8	Confident	96.4	Very high	59 Å²	59	47 Å²	47	61%	0.608	26%	0.26	S	S	*	.	S	Bend	trans	94.5	-151.4	177.5	0	0	0	0	0	113.6
43	E	93.3	Very high	96.3	Very high	92 Å²	92	44.4 Å²	44.4	43%	0.43	25%	0.25	S	S	.	.	S	Bend	trans	-74.7	156.5	-176.2	-63.2	-55	159.7	0	0	112.9	R38 H45 R99	R38-E43 PolarHBondContact NE-O 2.92Å; R38-E43 PolarHBondContact NH2-O 3.46Å; E43-H45 PolarHBondContact O-N 3.43Å; E43-R99 VanDerWaalsContact CD-NE 3.31Å; E43-R99 IonicContact OE1-CZ 3.94Å; E43-R99 IonicContact OE1-NE 3.66Å; E43-R99 IonicContact OE1-NH1 3.24Å; E43-R99 IonicContact OE1-NH2 3.64Å; E43-R99 PolarHBondContact OE1-NH2 2.86Å; E43-R99 VanDerWaalsContact OE2-CD 3.3Å; E43-R99 WeakPolarHBondContact OE2-CD 3.32Å; E43-R99 IonicContact OE2-CZ 3.76Å; E43-R99 IonicContact OE2-NE 2.77Å; E43-R99 PolarHBondContact OE2-NE 2.97Å; E43-R99 IonicContact OE2-NH2 3.59Å; E43-R99 PolarHBondContact OE2-NH2 3.3Å
44	P	96.6	Very high	96.2	Very high	24 Å²	24	46.8 Å²	46.8	16%	0.156	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-52.1	135.9	171.5	-25.8	35.5	0	0	0	111.5	V36 R99 L102	V36-P44 CarbonylContact O-C 3.58Å; V36-P44 WeakPolarHBondContact O-CA 3.39Å; P44-R99 HydrophobicContact CG-CB 4.23Å; P44-R99 HydrophobicContact CG-CG 4.13Å; P44-L102 HydrophobicContact CB-CD1 3.74Å; P44-L102 HydrophobicContact CG-CD1 3.86Å
45	H	98.3	Very high	96	Very high	41 Å²	41	46.1 Å²	46.1	19%	0.19	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	125.8	171.3	-172.2	-171.7	0	0	0	108.1	A35 V36 E43 D61 S62 D63	A35-H45 CarbonylContact C-O 3.55Å; A35-H45 VanDerWaalsContact CA-O 3.26Å; A35-H45 WeakPolarHBondContact CA-O 3.32Å; V36-H45 PolarHBondContact N-O 3.01Å; V36-H45 PolarHBondContact O-N 2.75Å; E43-H45 PolarHBondContact O-N 3.43Å; H45-D61 IonicContact CD2-OD1 3.48Å; H45-D61 IonicContact CE1-OD1 3.85Å; H45-D61 IonicContact NE2-OD1 3.11Å; H45-D61 PolarHBondContact NE2-OD1 3.39Å; H45-D61 IonicContact NE2-OD2 3.96Å; H45-S62 PolarHBondContact CD2-OG 3.42Å; H45-D63 VanDerWaalsContact CD2-CG 3.48Å; H45-D63 IonicContact CD2-OD1 2.84Å; H45-D63 IonicContact CD2-OD2 3.73Å; H45-D63 IonicContact CE1-OD2 2.79Å; H45-D63 IonicContact CG-OD2 3.33Å; H45-D63 IonicContact ND1-OD2 3.5Å; H45-D63 IonicContact NE2-OD2 3.82Å
46	F	98.7	Very high	96	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.009	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.4	176.8	176.4	-93.1	0	0	0	110.5	Y33 T34 A35 A48 F60 S62 Q94 A95 D98	Y33-F46 HydrophobicContact CD1-CZ 4.43Å; Y33-F46 HydrophobicContact CD2-CE2 4.28Å; Y33-F46 AromaticContact CD2-CZ 3.98Å; Y33-F46 HydrophobicContact CD2-CZ 3.98Å; Y33-F46 HydrophobicContact CG-CE2 4.2Å; Y33-F46 AromaticContact CG-CZ 3.93Å; Y33-F46 HydrophobicContact CG-CZ 3.93Å; T34-F46 WeakPolarHBondContact O-CA 3.44Å; A35-F46 HydrophobicContact CB-CD2 4.27Å; F46-A48 HydrophobicContact CE1-CB 3.78Å; F46-A48 HydrophobicContact CZ-CB 3.93Å; F46-F60 AromaticContact CD1-CD1 3.71Å; F46-F60 HydrophobicContact CD1-CD1 3.71Å; F46-F60 AromaticContact CD1-CE1 3.76Å; F46-F60 HydrophobicContact CD1-CE1 3.76Å; F46-F60 AromaticContact CE1-CD1 3.85Å; F46-F60 HydrophobicContact CE1-CD1 3.85Å; F46-F60 HydrophobicContact CE1-CE1 4.18Å; F46-S62 PolarHBondContact N-OG 2.67Å; F46-S62 WeakPolarHBondContact O-CB 3.34Å; F46-S62 PolarHBondContact O-N 3.29Å; F46-S62 PolarHBondContact O-OG 3.14Å; F46-Q94 HydrophobicContact CE2-CB 4.37Å; F46-Q94 HydrophobicContact CE2-CG 3.92Å; F46-Q94 HydrophobicContact CZ-CB 4.02Å; F46-Q94 HydrophobicContact CZ-CG 3.93Å; F46-A95 HydrophobicContact CB-CB 3.77Å; F46-A95 HydrophobicContact CD1-CB 3.75Å; F46-A95 HydrophobicContact CD2-CB 4.16Å; F46-A95 HydrophobicContact CE1-CB 4.38Å; F46-A95 HydrophobicContact CG-CB 3.62Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.45Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.28Å
47	I	98.7	Very high	96	Very high	46 Å²	46	46.5 Å²	46.5	24%	0.236	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134.9	174.1	-58.3	174.7	0	0	0	108	Y33 T34 V49 F60	Y33-I47 CarbonylContact C-O 3.59Å; Y33-I47 WeakPolarHBondContact CA-O 3.41Å; T34-I47 PolarHBondContact N-O 3.02Å; T34-I47 PolarHBondContact O-N 3.46Å; I47-V49 HydrophobicContact CG2-CG1 4.35Å; I47-F60 WeakPolarHBondContact CA-O 3.39Å
48	A	98.8	Very high	96	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.8	170.9	0	0	0	0	0	110.1	F32 Y33 F46 R59 F60 Y91	F32-A48 WeakPolarHBondContact O-CA 3.22Å; Y33-A48 HydrophobicContact CD1-CB 3.23Å; Y33-A48 HydrophobicContact CE1-CB 3.4Å; Y33-A48 VanDerWaalsContact CE1-CB 3.4Å; Y33-A48 HydrophobicContact CG-CB 4.09Å; F46-A48 HydrophobicContact CE1-CB 3.78Å; F46-A48 HydrophobicContact CZ-CB 3.93Å; A48-R59 CarbonylContact O-C 3.6Å; A48-R59 VanDerWaalsContact O-CA 3.32Å; A48-R59 WeakPolarHBondContact O-CA 3.39Å; A48-F60 HydrophobicContact CB-CB 4.23Å; A48-F60 PolarHBondContact N-O 2.93Å; A48-F60 PolarHBondContact O-N 2.95Å; A48-Y91 HydrophobicContact CB-CD1 3.61Å; A48-Y91 HydrophobicContact CB-CE1 3.65Å; A48-Y91 HydrophobicContact CB-CG 4.45Å
49	V	98.8	Very high	96.1	Very high	23 Å²	23	46 Å²	46	14%	0.139	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	146.6	173.5	-62.4	0	0	0	0	110	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 CarbonylContact C-O 3.56Å; Y31-V49 WeakPolarHBondContact CA-O 3.44Å; F32-V49 HydrophobicContact CB-CG2 3.85Å; F32-V49 HydrophobicContact CD2-CG2 4.31Å; F32-V49 PolarHBondContact N-O 3.49Å; F32-V49 PolarHBondContact O-N 2.93Å; I47-V49 HydrophobicContact CG2-CG1 4.35Å; V49-Y51 HydrophobicContact CB-CE2 4.11Å; V49-Y51 HydrophobicContact CG2-CD2 4.38Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.25Å; V49-V58 WeakPolarHBondContact CA-O 3.4Å; V49-R59 HydrophobicContact CG1-CG 4.25Å
50	G	98.6	Very high	96.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	139.8	176	0	0	0	0	0	111	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.43Å; R30-G50 WeakPolarHBondContact O-CA 3.36Å; G50-Q56 WeakPolarHBondContact O-CA 3.2Å; G50-F57 WeakPolarHBondContact O-CD1 3.39Å; G50-F57 PolarHBondContact O-N 3.34Å; G50-V58 PolarHBondContact N-O 3.02Å; G50-V58 PolarHBondContact O-N 2.92Å
51	Y	98.6	Very high	97	Very high	71 Å²	71	40.9 Å²	40.9	28%	0.278	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142.7	-179.2	-75	-102.9	0	0	0	110.4	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.41Å; R30-Y51 PolarHBondContact N-O 2.89Å; R30-Y51 PolarHBondContact O-N 3.43Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.14Å; V49-Y51 HydrophobicContact CB-CE2 4.11Å; V49-Y51 HydrophobicContact CG2-CD2 4.38Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; Y51-T55 WeakPolarHBondContact CA-O 3.43Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; Y51-Q56 HydrophobicContact CD1-CB 3.98Å; Y51-Q56 VanDerWaalsContact CD1-N 3.29Å; Y51-Q56 HydrophobicContact CD2-CG 4.36Å; Y51-Q56 HydrophobicContact CE1-CB 3.49Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.49Å; Y51-Q56 HydrophobicContact CE1-CG 4.2Å; Y51-Q56 HydrophobicContact CE2-CB 4.1Å; Y51-Q56 HydrophobicContact CE2-CG 3.86Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å
52	V	98.2	Very high	97.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	119.5	156.9	176.3	0	0	0	0	105.9	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.54Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.45Å; M29-V52 HydrophobicContact CG-CG2 4.34Å; V52-D54 PolarHBondContact O-N 3.48Å; V52-T55 PolarHBondContact N-O 3.18Å; V52-T55 WeakPolarHBondContact O-CB 3.46Å; V52-T55 PolarHBondContact O-N 2.91Å; V52-F57 HydrophobicContact CG2-CD1 3.98Å; V52-F57 HydrophobicContact CG2-CE1 4.02Å; V52-W75 HydrophobicContact CB-CH2 4.36Å; V52-W75 HydrophobicContact CB-CZ2 4.45Å; V52-W75 HydrophobicContact CG2-CH2 3.86Å; V52-W75 HydrophobicContact CG2-CZ2 4.43Å; V52-L192 HydrophobicContact CG1-CD1 3.58Å; V52-L192 HydrophobicContact CG2-CD1 4.23Å; V52-Y195 HydrophobicContact CG2-CD2 3.97Å; V52-Y195 HydrophobicContact CG2-CG 4.44Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; V52-L203 HydrophobicContact CB-CD1 4.28Å; V52-L203 HydrophobicContact CB-CD2 4.14Å; V52-L203 HydrophobicContact CG1-CD1 3.87Å; V52-L203 HydrophobicContact CG1-CD2 4.05Å; V52-L203 HydrophobicContact CG1-CG 4.48Å
53	D	95.9	Very high	97.7	Very high	29 Å²	29	33.3 Å²	33.3	16%	0.155	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	-125.4	-166.5	-52	-39.5	0	0	0	110.2	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.23Å; H27-D53 WeakPolarHBondContact CA-OD1 3.35Å; H27-D53 IonicContact CE1-OD2 3.2Å; H27-D53 IonicContact CG-OD2 3.42Å; H27-D53 IonicContact ND1-OD1 3.97Å; H27-D53 IonicContact ND1-OD2 2.7Å; H27-D53 PolarHBondContact ND1-OD2 3.41Å; S28-D53 PolarHBondContact N-OD1 3.39Å; S28-D53 PolarHBondContact O-N 2.84Å; D53-T55 VanDerWaalsContact C-N 3.34Å
54	D	95.6	Very high	97.9	Very high	64 Å²	64	30.6 Å²	30.6	34%	0.342	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	9.6	178.9	-59.3	-57.2	0	0	0	113.6	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.48Å; D54-Y233 HydrophobicContact CB-CE2 4.07Å; D54-P234 VanDerWaalsContact OD2-CB 3.26Å; D54-P234 WeakPolarHBondContact OD2-CB 3.23Å; D54-A235 HydrophobicContact CB-CB 4.23Å; D54-A235 VanDerWaalsContact CG-CB 3.48Å; D54-A235 WeakPolarHBondContact OD2-CB 3.26Å; D54-A235 PolarHBondContact OD2-N 2.66Å; D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.69Å
55	T	96.5	Very high	97.9	Very high	28 Å²	28	35.1 Å²	35.1	17%	0.172	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	112.6	-177.2	-60.8	0	0	0	0	111.7	Y51 V52 D53 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.43Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; V52-T55 PolarHBondContact N-O 3.18Å; V52-T55 WeakPolarHBondContact O-CB 3.46Å; V52-T55 PolarHBondContact O-N 2.91Å; D53-T55 VanDerWaalsContact C-N 3.34Å; T55-F57 PolarHBondContact O-N 3.2Å; T55-A73 HydrophobicContact CG2-CB 4.42Å; T55-L203 HydrophobicContact CG2-CD2 4.12Å; T55-Y233 PolarHBondContact OG1-OH 3.47Å
56	Q	97.5	Very high	97.8	Very high	51 Å²	51	37 Å²	37	24%	0.238	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	129.7	172.7	-166	-179.4	2	0	0	110.3	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.25Å; G50-Q56 WeakPolarHBondContact O-CA 3.2Å; Y51-Q56 HydrophobicContact CD1-CB 3.98Å; Y51-Q56 VanDerWaalsContact CD1-N 3.29Å; Y51-Q56 HydrophobicContact CD2-CG 4.36Å; Y51-Q56 HydrophobicContact CE1-CB 3.49Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.49Å; Y51-Q56 HydrophobicContact CE1-CG 4.2Å; Y51-Q56 HydrophobicContact CE2-CB 4.1Å; Y51-Q56 HydrophobicContact CE2-CG 3.86Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å; Q56-V58 PolarHBondContact NE2-O 3.2Å; Q56-R72 HydrophobicContact CB-CB 4.48Å; Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.37Å; Q56-R72 CarbonylContact O-C 3.59Å
57	F	98	Very high	97.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	-19.9	179.3	75.3	-87.7	0	0	0	114.3	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.45Å; M29-F57 HydrophobicContact SD-CZ 4.42Å; Y31-F57 AromaticContact CE1-CZ 3.98Å; Y31-F57 HydrophobicContact CE1-CZ 3.98Å; Y31-F57 AromaticContact CZ-CZ 3.74Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.4Å; G50-F57 WeakPolarHBondContact O-CD1 3.39Å; G50-F57 PolarHBondContact O-N 3.34Å; V52-F57 HydrophobicContact CG2-CD1 3.98Å; V52-F57 HydrophobicContact CG2-CE1 4.02Å; T55-F57 PolarHBondContact O-N 3.2Å; F57-R72 PolarHBondContact O-N 3.04Å; F57-A73 HydrophobicContact CB-CB 4.08Å; F57-W75 HydrophobicContact CB-CH2 3.1Å; F57-W75 HydrophobicContact CB-CZ2 3.37Å; F57-W75 HydrophobicContact CB-CZ3 3.89Å; F57-W75 AromaticContact CD1-CH2 3.92Å; F57-W75 HydrophobicContact CD1-CH2 3.92Å; F57-W75 AromaticContact CD2-CH2 3.95Å; F57-W75 HydrophobicContact CD2-CH2 3.95Å; F57-W75 HydrophobicContact CD2-CZ3 4.17Å; F57-W75 AromaticContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CH2 3.41Å; F57-W75 VanDerWaalsContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CZ2 4.13Å; F57-W75 HydrophobicContact CG-CZ3 4.09Å; F57-V76 HydrophobicContact CB-CG1 4.35Å; F57-V76 HydrophobicContact CD2-CB 4.42Å; F57-V76 HydrophobicContact CD2-CG1 4.46Å; F57-V76 HydrophobicContact CD2-CG2 4.12Å; F57-V76 VanDerWaalsContact O-CG1 3.27Å; F57-V76 WeakPolarHBondContact O-CG1 3.35Å; F57-Y195 AromaticContact CE2-CE2 3.91Å; F57-Y195 HydrophobicContact CE2-CE2 3.91Å; F57-Y195 HydrophobicContact CZ-CD2 4.48Å; F57-Y195 AromaticContact CZ-CE2 3.92Å; F57-Y195 HydrophobicContact CZ-CE2 3.92Å
58	V	98.3	Very high	97.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	148.2	178.8	66	0	0	0	0	111.8	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG1 3.98Å; V49-V58 WeakPolarHBondContact CA-O 3.4Å; G50-V58 PolarHBondContact N-O 3.02Å; G50-V58 PolarHBondContact O-N 2.92Å; Q56-V58 PolarHBondContact NE2-O 3.2Å; V58-E70 WeakPolarHBondContact CA-O 3.42Å; V58-W84 HydrophobicContact CG2-CZ3 4.06Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.11Å; V58-Y91 HydrophobicContact CG2-CE2 4.2Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.03Å
59	R	98.4	Very high	97.6	Very high	78 Å²	78	43.8 Å²	43.8	29%	0.294	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	146.5	170.2	-178.2	176.9	170.4	111.3	3.4	110.4	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.6Å; A48-R59 VanDerWaalsContact O-CA 3.32Å; A48-R59 WeakPolarHBondContact O-CA 3.39Å; V49-R59 HydrophobicContact CG1-CG 4.25Å; R59-D61 IonicContact CZ-OD2 3.42Å; R59-D61 IonicContact NH2-OD2 2.69Å; R59-D61 PolarHBondContact NH2-OD2 3.14Å; R59-E70 PolarHBondContact N-O 3.48Å; R59-E70 PolarHBondContact O-N 2.83Å; R59-R72 HydrophobicContact CB-CG 3.91Å
60	F	98.8	Very high	97.5	Very high	3 Å²	3	45.3 Å²	45.3	1%	0.013	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	141.5	163.9	175.9	-82.9	0	0	0	109	F46 I47 A48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.71Å; F46-F60 HydrophobicContact CD1-CD1 3.71Å; F46-F60 AromaticContact CD1-CE1 3.76Å; F46-F60 HydrophobicContact CD1-CE1 3.76Å; F46-F60 AromaticContact CE1-CD1 3.85Å; F46-F60 HydrophobicContact CE1-CD1 3.85Å; F46-F60 HydrophobicContact CE1-CE1 4.18Å; I47-F60 WeakPolarHBondContact CA-O 3.39Å; A48-F60 HydrophobicContact CB-CB 4.23Å; A48-F60 PolarHBondContact N-O 2.93Å; A48-F60 PolarHBondContact O-N 2.95Å; F60-P67 HydrophobicContact CE2-CB 3.88Å; F60-P67 HydrophobicContact CZ-CB 3.67Å; F60-R68 VanDerWaalsContact CD2-C 3.49Å; F60-R68 WeakPolarHBondContact CD2-O 3.15Å; F60-Y91 HydrophobicContact CB-CD1 4.33Å; F60-Y91 HydrophobicContact CB-CD2 3.56Å; F60-Y91 HydrophobicContact CB-CE2 4.03Å; F60-Y91 HydrophobicContact CB-CG 3.75Å; F60-Y91 HydrophobicContact CD1-CG 4.39Å; F60-Y91 AromaticContact CD2-CD2 3.74Å; F60-Y91 HydrophobicContact CD2-CD2 3.74Å; F60-Y91 AromaticContact CD2-CG 3.98Å; F60-Y91 HydrophobicContact CD2-CG 3.98Å; F60-Y91 AromaticContact CG-CD2 3.82Å; F60-Y91 HydrophobicContact CG-CD2 3.82Å; F60-Y91 AromaticContact CG-CG 3.79Å; F60-Y91 HydrophobicContact CG-CG 3.79Å; F60-K92 HydrophobicContact CE2-CG 4.23Å; F60-K92 HydrophobicContact CZ-CG 4.03Å
61	D	98.6	Very high	97.5	Very high	32 Å²	32	47.6 Å²	47.6	17%	0.171	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	119.2	178.5	-163.9	-35.8	0	0	0	109.3	H45 R59 D63 A64	H45-D61 IonicContact CD2-OD1 3.48Å; H45-D61 IonicContact CE1-OD1 3.85Å; H45-D61 IonicContact NE2-OD1 3.11Å; H45-D61 PolarHBondContact NE2-OD1 3.39Å; H45-D61 IonicContact NE2-OD2 3.96Å; R59-D61 IonicContact CZ-OD2 3.42Å; R59-D61 IonicContact NH2-OD2 2.69Å; R59-D61 PolarHBondContact NH2-OD2 3.14Å; D61-D63 PolarHBondContact O-N 2.93Å; D61-D63 PolarHBondContact OD1-N 3.36Å; D61-A64 HydrophobicContact CB-CB 4.33Å; D61-A64 WeakPolarHBondContact O-CB 3.43Å; D61-A64 PolarHBondContact O-N 2.96Å
62	S	98.1	Very high	97.4	Very high	34 Å²	34	49.9 Å²	49.9	24%	0.238	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-21.4	-177.9	70.7	0	0	0	0	113.5	H45 F46 P67	H45-S62 PolarHBondContact CD2-OG 3.42Å; F46-S62 PolarHBondContact N-OG 2.67Å; F46-S62 WeakPolarHBondContact O-CB 3.34Å; F46-S62 PolarHBondContact O-N 3.29Å; F46-S62 PolarHBondContact O-OG 3.14Å; S62-P67 WeakPolarHBondContact O-CG 3.38Å
63	D	97.1	Very high	97.3	Very high	81 Å²	81	50.1 Å²	50.1	43%	0.433	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-4.9	-179.2	-76.7	9.3	0	0	0	112.5	R38 H45 D61	R38-D63 IonicContact CZ-OD1 2.65Å; R38-D63 IonicContact CZ-OD2 3.88Å; R38-D63 IonicContact NH1-OD1 3.64Å; R38-D63 IonicContact NH1-OD2 2.9Å; R38-D63 PolarHBondContact NH1-OD2 3.01Å; R38-D63 IonicContact NH2-OD1 3.91Å; R38-D63 PolarHBondContact NH2-OD1 3.34Å; R38-D63 IonicContact NH2-OD2 3.55Å; R38-D63 PolarHBondContact NH2-OD2 3.44Å; H45-D63 VanDerWaalsContact CD2-CG 3.48Å; H45-D63 IonicContact CD2-OD1 2.84Å; H45-D63 IonicContact CD2-OD2 3.73Å; H45-D63 IonicContact CE1-OD2 2.79Å; H45-D63 IonicContact CG-OD2 3.33Å; H45-D63 IonicContact ND1-OD2 3.5Å; H45-D63 IonicContact NE2-OD2 3.82Å; D61-D63 PolarHBondContact O-N 2.93Å; D61-D63 PolarHBondContact OD1-N 3.36Å
64	A	97.1	Very high	97.3	Very high	35 Å²	35	53.6 Å²	53.6	29%	0.289	30%	0.3	S	S	.	.	S	Bend	trans	-60.1	148.6	173.1	0	0	0	0	0	111	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.33Å; D61-A64 WeakPolarHBondContact O-CB 3.43Å; D61-A64 PolarHBondContact O-N 2.96Å; A64-S66 PolarHBondContact O-N 2.93Å; A64-S66 VanDerWaalsContact O-N 3.13Å; A64-P67 WeakPolarHBondContact O-CD 3.37Å; A64-P67 VanDerWaalsContact O-CG 3.26Å; A64-P67 WeakPolarHBondContact O-CG 3.38Å
65	A	96.7	Very high	97.3	Very high	119 Å²	119	51.2 Å²	51.2	98%	0.983	29%	0.287	S	S	*	.	S	Bend	trans	-58.3	-30.4	179.8	0	0	0	0	0	113.2
66	S	95.9	Very high	97.3	Very high	82 Å²	82	49.9 Å²	49.9	57%	0.573	28%	0.279	S	S	*	.	S	Bend	trans	-134.2	88	171.9	-173	0	0	0	0	109.2	A64 R68	A64-S66 PolarHBondContact O-N 2.93Å; A64-S66 VanDerWaalsContact O-N 3.13Å; S66-R68 PolarHBondContact O-N 3.28Å; S66-R68 VanDerWaalsContact O-N 3.09Å
67	P	97.1	Very high	97.2	Very high	34 Å²	34	53.2 Å²	53.2	22%	0.221	29%	0.294	C	S	.	.			trans	-64	112.3	-175.5	-24.1	35.5	0	0	0	111.7	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.88Å; F60-P67 HydrophobicContact CZ-CB 3.67Å; S62-P67 WeakPolarHBondContact O-CG 3.38Å; A64-P67 WeakPolarHBondContact O-CD 3.37Å; A64-P67 VanDerWaalsContact O-CG 3.26Å; A64-P67 WeakPolarHBondContact O-CG 3.38Å; P67-K92 WeakPolarHBondContact O-CE 3.35Å; P67-K92 PolarHBondContact O-NZ 3.22Å
68	R	97.6	Very high	97	Very high	150 Å²	150	59.1 Å²	59.1	57%	0.566	32%	0.322	S	S	*	.			trans	-147.2	159.8	177.2	64.3	-176.9	175.9	172	0.3	110.7	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.49Å; F60-R68 WeakPolarHBondContact CD2-O 3.15Å; S66-R68 PolarHBondContact O-N 3.28Å; S66-R68 VanDerWaalsContact O-N 3.09Å; R68-E70 HydrophobicContact CG-CG 4.28Å; R68-E70 PolarHBondContact O-N 3.48Å; R68-T88 HydrophobicContact CB-CG2 4.17Å
69	G	97.3	Very high	96.9	Very high	6 Å²	6	59.6 Å²	59.6	6%	0.062	32%	0.324	C	S	.	.			trans	-65.8	128.7	168.8	0	0	0	0	0	109.4	T88	G69-T88 PolarHBondContact N-OG1 2.9Å
70	E	97.5	Very high	96.7	Very high	55 Å²	55	57.6 Å²	57.6	26%	0.257	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	133.2	-177.8	-65	179.1	162.3	0	0	110.1	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.42Å; R59-E70 PolarHBondContact N-O 3.48Å; R59-E70 PolarHBondContact O-N 2.83Å; R68-E70 HydrophobicContact CG-CG 4.28Å; R68-E70 PolarHBondContact O-N 3.48Å; E70-R72 IonicContact OE2-CZ 3.64Å; E70-R72 IonicContact OE2-NH2 3.5Å; E70-R72 PolarHBondContact OE2-NH2 2.89Å
71	P	97.9	Very high	96.6	Very high	48 Å²	48	62.2 Å²	62.2	31%	0.312	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	143.6	172.9	28.3	-33.7	0	0	0	110.6	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.79Å; P71-E77 HydrophobicContact CB-CG 3.7Å; P71-E77 HydrophobicContact CG-CG 3.94Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 3.78Å; P71-W84 HydrophobicContact CG-CH2 4.26Å; P71-W84 HydrophobicContact CG-CZ2 4.24Å
72	R	97.3	Very high	96.6	Very high	119 Å²	119	68.5 Å²	68.5	45%	0.449	39%	0.386	S	S	.	.			trans	-125.8	-0.1	174.6	-60.4	-64.4	171.5	175.3	-1.7	113.1	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.48Å; Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.37Å; Q56-R72 CarbonylContact O-C 3.59Å; F57-R72 PolarHBondContact O-N 3.04Å; R59-R72 HydrophobicContact CB-CG 3.91Å; E70-R72 IonicContact OE2-CZ 3.64Å; E70-R72 IonicContact OE2-NH2 3.5Å; E70-R72 PolarHBondContact OE2-NH2 2.89Å
73	A	95.8	Very high	96.5	Very high	4 Å²	4	67.3 Å²	67.3	3%	0.033	38%	0.377	C	S	.	.	S	Bend	trans	-138.5	143.4	173.4	0	0	0	0	0	111	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.42Å; F57-A73 HydrophobicContact CB-CB 4.08Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.14Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 3.94Å; A73-W75 PolarHBondContact O-N 3Å; A73-V76 VanDerWaalsContact O-CG1 3.23Å; A73-V76 WeakPolarHBondContact O-CG1 3.48Å; A73-V76 PolarHBondContact O-N 3.07Å
74	P	95.7	Very high	96.6	Very high	102 Å²	102	65.3 Å²	65.3	66%	0.662	36%	0.363	S	S	*	.	H	α-helix	trans	-58	-37.1	-177	-26.7	34.8	0	0	0	114	V76 E77	P74-V76 PolarHBondContact O-N 3.32Å; P74-E77 WeakPolarHBondContact O-CB 3.39Å; P74-E77 PolarHBondContact O-N 2.96Å; P74-E77 VanDerWaalsContact O-N 3.11Å
75	W	95.4	Very high	96.6	Very high	14 Å²	14	68.7 Å²	68.7	5%	0.053	38%	0.376	C	S	.	.	H	α-helix	trans	-70.6	-12.5	-175.8	53	-105.7	0	0	0	114.5	V52 F57 A73 Q78 Y195 N198 G199 L203	V52-W75 HydrophobicContact CB-CH2 4.36Å; V52-W75 HydrophobicContact CB-CZ2 4.45Å; V52-W75 HydrophobicContact CG2-CH2 3.86Å; V52-W75 HydrophobicContact CG2-CZ2 4.43Å; F57-W75 HydrophobicContact CB-CH2 3.1Å; F57-W75 HydrophobicContact CB-CZ2 3.37Å; F57-W75 HydrophobicContact CB-CZ3 3.89Å; F57-W75 AromaticContact CD1-CH2 3.92Å; F57-W75 HydrophobicContact CD1-CH2 3.92Å; F57-W75 AromaticContact CD2-CH2 3.95Å; F57-W75 HydrophobicContact CD2-CH2 3.95Å; F57-W75 HydrophobicContact CD2-CZ3 4.17Å; F57-W75 AromaticContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CH2 3.41Å; F57-W75 VanDerWaalsContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CZ2 4.13Å; F57-W75 HydrophobicContact CG-CZ3 4.09Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.14Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 3.94Å; A73-W75 PolarHBondContact O-N 3Å; W75-Q78 WeakPolarHBondContact O-CG 3.49Å; W75-Y195 HydrophobicContact CE3-CD1 4.23Å; W75-Y195 HydrophobicContact CE3-CG 4.48Å; W75-Y195 HydrophobicContact CH2-CG 4.18Å; W75-Y195 AromaticContact CZ3-CD1 3.59Å; W75-Y195 HydrophobicContact CZ3-CD1 3.59Å; W75-Y195 HydrophobicContact CZ3-CD2 4.36Å; W75-Y195 HydrophobicContact CZ3-CE1 4.33Å; W75-Y195 AromaticContact CZ3-CG 3.61Å; W75-Y195 HydrophobicContact CZ3-CG 3.61Å; W75-N198 HydrophobicContact CB-CB 4.4Å; W75-G199 VanDerWaalsContact CB-CA 3.5Å; W75-L203 HydrophobicContact CD2-CD1 4.39Å; W75-L203 HydrophobicContact CH2-CD1 4.37Å; W75-L203 HydrophobicContact CZ2-CD1 3.85Å; W75-L203 HydrophobicContact CZ2-CD2 4.11Å; W75-L203 HydrophobicContact CZ2-CG 4.39Å
76	V	97	Very high	96.7	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-96	-16.5	172.3	73.5	0	0	0	0	112.1	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.35Å; F57-V76 HydrophobicContact CD2-CB 4.42Å; F57-V76 HydrophobicContact CD2-CG1 4.46Å; F57-V76 HydrophobicContact CD2-CG2 4.12Å; F57-V76 VanDerWaalsContact O-CG1 3.27Å; F57-V76 WeakPolarHBondContact O-CG1 3.35Å; P71-V76 HydrophobicContact CB-CG1 3.79Å; A73-V76 VanDerWaalsContact O-CG1 3.23Å; A73-V76 WeakPolarHBondContact O-CG1 3.48Å; A73-V76 PolarHBondContact O-N 3.07Å; P74-V76 PolarHBondContact O-N 3.32Å; V76-Q78 PolarHBondContact O-N 3.38Å; V76-E79 HydrophobicContact CG2-CG 3.9Å; V76-E79 VanDerWaalsContact O-CB 3.31Å; V76-E79 WeakPolarHBondContact O-CB 3.18Å; V76-E79 WeakPolarHBondContact O-CG 3.34Å; V76-E79 PolarHBondContact O-N 2.96Å; V76-Y83 HydrophobicContact CG2-CE1 4.13Å; V76-W84 HydrophobicContact CG1-CH2 4Å; V76-W84 HydrophobicContact CG1-CZ2 4.22Å; V76-W84 HydrophobicContact CG2-CH2 3.97Å; V76-W84 HydrophobicContact CG2-CZ2 4.01Å; V76-W84 WeakPolarHBondContact O-CZ2 3.43Å; V76-Y195 HydrophobicContact CG2-CE1 4.34Å
77	E	95.1	Very high	96.7	Very high	121 Å²	121	64.6 Å²	64.6	57%	0.565	32%	0.323	S	S	*	.	H	α-helix	trans	-62.8	-26.1	179.3	-65.4	-178.4	-177.8	0	0	112.7	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.7Å; P71-E77 HydrophobicContact CG-CG 3.94Å; P74-E77 WeakPolarHBondContact O-CB 3.39Å; P74-E77 PolarHBondContact O-N 2.96Å; P74-E77 VanDerWaalsContact O-N 3.11Å; E77-E79 PolarHBondContact O-N 2.69Å
78	Q	93.8	Very high	96.8	Very high	124 Å²	124	63.5 Å²	63.5	58%	0.579	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-10.5	175.3	66.2	179	25.1	0	0	114.1	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.49Å; V76-Q78 PolarHBondContact O-N 3.38Å; Q78-N198 VanDerWaalsContact NE2-CB 3.31Å; Q78-N198 PolarHBondContact NE2-ND2 3.44Å; Q78-N198 PolarHBondContact NE2-OD1 3.03Å
79	E	96.3	Very high	96.8	Very high	11 Å²	11	61.4 Å²	61.4	5%	0.051	31%	0.313	C	S	.	.	S	Bend	trans	-67.3	136.4	174.4	-65.6	-62.1	159.1	0	0	110.7	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.9Å; V76-E79 VanDerWaalsContact O-CB 3.31Å; V76-E79 WeakPolarHBondContact O-CB 3.18Å; V76-E79 WeakPolarHBondContact O-CG 3.34Å; V76-E79 PolarHBondContact O-N 2.96Å; E77-E79 PolarHBondContact O-N 2.69Å; E79-Y83 HydrophobicContact CB-CD1 3.55Å; E79-Y83 HydrophobicContact CB-CD2 4.47Å; E79-Y83 HydrophobicContact CB-CE1 4.13Å; E79-Y83 HydrophobicContact CB-CG 3.75Å; E79-Y83 HydrophobicContact CG-CD1 4.1Å; E79-Y83 HydrophobicContact CG-CD2 4.45Å; E79-Y83 HydrophobicContact CG-CE1 4.28Å; E79-Y83 HydrophobicContact CG-CG 4.2Å; E79-W84 PolarHBondContact O-NE1 2.84Å; E79-W84 VanDerWaalsContact O-NE1 3.08Å; E79-R194 IonicContact OE1-CZ 2.89Å; E79-R194 IonicContact OE1-NE 2.65Å; E79-R194 PolarHBondContact OE1-NE 2.95Å; E79-R194 IonicContact OE1-NH2 3.38Å; E79-R194 PolarHBondContact OE1-NH2 2.65Å; E79-R194 IonicContact OE2-CZ 3.27Å; E79-R194 IonicContact OE2-NE 3.89Å; E79-R194 IonicContact OE2-NH2 3.37Å; E79-R194 PolarHBondContact OE2-NH2 3.39Å; E79-N198 PolarHBondContact OE1-ND2 2.72Å
80	G	95.6	Very high	96.8	Very high	36 Å²	36	64.6 Å²	64.6	37%	0.371	33%	0.325	S	S	.	.			trans	-70.3	169.8	-174.1	0	0	0	0	0	114.3	E82 Y83 W84	G80-E82 VanDerWaalsContact C-N 3.25Å; G80-E82 PolarHBondContact O-N 2.95Å; G80-Y83 WeakPolarHBondContact O-CB 3.16Å; G80-Y83 PolarHBondContact O-N 2.8Å; G80-W84 PolarHBondContact O-N 2.89Å
81	P	96.7	Very high	96.9	Very high	99 Å²	99	62 Å²	62	64%	0.643	31%	0.312	S	S	*	.	H	α-helix	trans	-57.9	-35.7	-178.3	22.9	-33.6	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.94Å; P81-W84 PolarHBondContact O-N 2.8Å; P81-W84 VanDerWaalsContact O-N 3.14Å; P81-D85 WeakPolarHBondContact O-CB 3.27Å; P81-D85 PolarHBondContact O-N 3.43Å
82	E	97.4	Very high	96.9	Very high	165 Å²	165	63.7 Å²	63.7	77%	0.771	32%	0.315	S	S	*	.	H	α-helix	trans	-60	-34.9	177.7	-63.2	179.4	179.9	0	0	113	G80 R86	G80-E82 VanDerWaalsContact C-N 3.25Å; G80-E82 PolarHBondContact O-N 2.95Å; E82-R86 VanDerWaalsContact O-CB 3.24Å; E82-R86 WeakPolarHBondContact O-CB 3.33Å; E82-R86 PolarHBondContact O-N 3.28Å
83	Y	97.3	Very high	96.9	Very high	8 Å²	8	66 Å²	66	3%	0.031	32%	0.324	C	S	.	.	H	α-helix	trans	-65	-51.9	174.5	169.4	-91.1	0	0	0	110	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.13Å; E79-Y83 HydrophobicContact CB-CD1 3.55Å; E79-Y83 HydrophobicContact CB-CD2 4.47Å; E79-Y83 HydrophobicContact CB-CE1 4.13Å; E79-Y83 HydrophobicContact CB-CG 3.75Å; E79-Y83 HydrophobicContact CG-CD1 4.1Å; E79-Y83 HydrophobicContact CG-CD2 4.45Å; E79-Y83 HydrophobicContact CG-CE1 4.28Å; E79-Y83 HydrophobicContact CG-CG 4.2Å; G80-Y83 WeakPolarHBondContact O-CB 3.16Å; G80-Y83 PolarHBondContact O-N 2.8Å; P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.94Å; Y83-D85 PolarHBondContact O-N 3.04Å; Y83-R86 PolarHBondContact O-N 2.89Å; Y83-E87 HydrophobicContact CD1-CG 4.34Å; Y83-E87 HydrophobicContact CD2-CG 4.25Å; Y83-E87 HydrophobicContact CE1-CG 3.96Å; Y83-E87 HydrophobicContact CE2-CG 3.84Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CG 3.49Å; Y83-E87 PolarHBondContact O-N 2.93Å; Y83-W191 AromaticContact CD2-CH2 3.56Å; Y83-W191 HydrophobicContact CD2-CH2 3.56Å; Y83-W191 HydrophobicContact CD2-CZ2 4.28Å; Y83-W191 AromaticContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CE2-CE3 4.23Å; Y83-W191 AromaticContact CE2-CH2 3.86Å; Y83-W191 HydrophobicContact CE2-CH2 3.86Å; Y83-W191 HydrophobicContact CE2-CZ2 4.48Å; Y83-W191 AromaticContact CE2-CZ3 3.7Å; Y83-W191 HydrophobicContact CE2-CZ3 3.7Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.28Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.37Å; Y83-Y195 PolarHBondContact OH-OH 3.47Å
84	W	97.9	Very high	97	Very high	39 Å²	39	67.6 Å²	67.6	15%	0.148	33%	0.33	C	S	.	.	H	α-helix	trans	-64.8	-38	-177.5	-67.2	112.3	0	0	0	113.1	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 4.06Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 3.78Å; P71-W84 HydrophobicContact CG-CH2 4.26Å; P71-W84 HydrophobicContact CG-CZ2 4.24Å; V76-W84 HydrophobicContact CG1-CH2 4Å; V76-W84 HydrophobicContact CG1-CZ2 4.22Å; V76-W84 HydrophobicContact CG2-CH2 3.97Å; V76-W84 HydrophobicContact CG2-CZ2 4.01Å; V76-W84 WeakPolarHBondContact O-CZ2 3.43Å; E79-W84 PolarHBondContact O-NE1 2.84Å; E79-W84 VanDerWaalsContact O-NE1 3.08Å; G80-W84 PolarHBondContact O-N 2.89Å; P81-W84 PolarHBondContact O-N 2.8Å; P81-W84 VanDerWaalsContact O-N 3.14Å; W84-T88 WeakPolarHBondContact O-CB 3.41Å; W84-T88 PolarHBondContact O-N 2.9Å; W84-T88 PolarHBondContact O-OG1 3.11Å
85	D	97.9	Very high	97.2	Very high	107 Å²	107	63.5 Å²	63.5	57%	0.572	31%	0.306	S	S	*	.	H	α-helix	trans	-64	-47.1	174.2	-75.2	-22.4	0	0	0	110.6	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.27Å; P81-D85 PolarHBondContact O-N 3.43Å; Y83-D85 PolarHBondContact O-N 3.04Å; D85-T88 PolarHBondContact O-N 3Å; D85-Q89 VanDerWaalsContact O-CG 3.3Å; D85-Q89 WeakPolarHBondContact O-CG 3.26Å; D85-Q89 PolarHBondContact O-N 3.3Å
86	R	97.3	Very high	97.3	Very high	108 Å²	108	67.8 Å²	67.8	41%	0.408	33%	0.326	S	S	.	.	H	α-helix	trans	-62.2	-46.8	178.4	-175.5	-178.6	65.7	-142.5	-4.8	112.1	E82 Y83 Q89 K90	E82-R86 VanDerWaalsContact O-CB 3.24Å; E82-R86 WeakPolarHBondContact O-CB 3.33Å; E82-R86 PolarHBondContact O-N 3.28Å; Y83-R86 PolarHBondContact O-N 2.89Å; R86-Q89 PolarHBondContact O-N 2.9Å; R86-K90 WeakPolarHBondContact O-CG 3.25Å; R86-K90 PolarHBondContact O-N 3.28Å
87	E	97.4	Very high	97.3	Very high	6 Å²	6	71.1 Å²	71.1	3%	0.028	35%	0.347	C	S	.	.	H	α-helix	trans	-65.2	-42.3	178.7	-65	-43	119.4	0	0	111.1	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.34Å; Y83-E87 HydrophobicContact CD2-CG 4.25Å; Y83-E87 HydrophobicContact CE1-CG 3.96Å; Y83-E87 HydrophobicContact CE2-CG 3.84Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CG 3.49Å; Y83-E87 PolarHBondContact O-N 2.93Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 2.98Å; E87-K90 WeakPolarHBondContact O-CB 3.35Å; E87-K90 PolarHBondContact O-N 3.01Å; E87-K90 VanDerWaalsContact O-N 3.13Å; E87-K90 IonicContact OE1-NZ 2.88Å; E87-K90 PolarHBondContact OE1-NZ 2.8Å; E87-K90 WeakPolarHBondContact OE2-CD 3.47Å; E87-K90 IonicContact OE2-NZ 3.78Å; E87-K90 PolarHBondContact OE2-NZ 2.96Å; E87-Y91 HydrophobicContact CB-CE2 4.03Å; E87-Y91 WeakPolarHBondContact O-CD2 3.36Å; E87-Y91 PolarHBondContact O-N 2.84Å
88	T	98.3	Very high	97.4	Very high	12 Å²	12	65.6 Å²	65.6	7%	0.074	32%	0.321	C	S	.	.	H	α-helix	trans	-57.2	-44.6	174.1	-63.9	0	0	0	0	112.1	R68 G69 W84 D85 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.17Å; G69-T88 PolarHBondContact N-OG1 2.9Å; W84-T88 WeakPolarHBondContact O-CB 3.41Å; W84-T88 PolarHBondContact O-N 2.9Å; W84-T88 PolarHBondContact O-OG1 3.11Å; D85-T88 PolarHBondContact O-N 3Å; T88-Y91 PolarHBondContact O-N 2.89Å; T88-K92 HydrophobicContact CG2-CD 4.16Å; T88-K92 WeakPolarHBondContact O-CG 3.38Å; T88-K92 PolarHBondContact O-N 3.34Å
89	Q	98.3	Very high	97.6	Very high	106 Å²	106	62.6 Å²	62.6	50%	0.495	30%	0.304	S	S	.	.	H	α-helix	trans	-68.1	-34.7	177.8	-68.2	-58.4	-29.5	0	0	112.5	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.3Å; D85-Q89 WeakPolarHBondContact O-CG 3.26Å; D85-Q89 PolarHBondContact O-N 3.3Å; R86-Q89 PolarHBondContact O-N 2.9Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 2.98Å; Q89-R93 WeakPolarHBondContact O-CB 3.37Å; Q89-R93 WeakPolarHBondContact O-CG 3.21Å; Q89-R93 PolarHBondContact O-N 2.91Å
90	K	97.4	Very high	97.7	Very high	72 Å²	72	65.6 Å²	65.6	31%	0.313	32%	0.323	S	S	.	.	H	α-helix	trans	-61.4	-49.8	172.1	-73.9	171.8	177.8	174	0	111.1	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.25Å; R86-K90 PolarHBondContact O-N 3.28Å; E87-K90 WeakPolarHBondContact O-CB 3.35Å; E87-K90 PolarHBondContact O-N 3.01Å; E87-K90 VanDerWaalsContact O-N 3.13Å; E87-K90 IonicContact OE1-NZ 2.88Å; E87-K90 PolarHBondContact OE1-NZ 2.8Å; E87-K90 WeakPolarHBondContact OE2-CD 3.47Å; E87-K90 IonicContact OE2-NZ 3.78Å; E87-K90 PolarHBondContact OE2-NZ 2.96Å; K90-K92 PolarHBondContact O-N 3.16Å; K90-R93 PolarHBondContact O-N 3.37Å; K90-Q94 PolarHBondContact O-N 2.9Å
91	Y	98.4	Very high	97.8	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.6	-43.1	178.1	-62.3	-49	0	0	0	112.4	Y33 A48 V58 F60 E87 T88 R93 Q94 A95	Y33-Y91 HydrophobicContact CE1-CD1 4.19Å; Y33-Y91 AromaticContact CE1-CE1 3.77Å; Y33-Y91 HydrophobicContact CE1-CE1 3.77Å; Y33-Y91 AromaticContact CZ-CE1 3.82Å; Y33-Y91 WeakPolarHBondContact OH-CE1 2.93Å; A48-Y91 HydrophobicContact CB-CD1 3.61Å; A48-Y91 HydrophobicContact CB-CE1 3.65Å; A48-Y91 HydrophobicContact CB-CG 4.45Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.11Å; V58-Y91 HydrophobicContact CG2-CE2 4.2Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.03Å; F60-Y91 HydrophobicContact CB-CD1 4.33Å; F60-Y91 HydrophobicContact CB-CD2 3.56Å; F60-Y91 HydrophobicContact CB-CE2 4.03Å; F60-Y91 HydrophobicContact CB-CG 3.75Å; F60-Y91 HydrophobicContact CD1-CG 4.39Å; F60-Y91 AromaticContact CD2-CD2 3.74Å; F60-Y91 HydrophobicContact CD2-CD2 3.74Å; F60-Y91 AromaticContact CD2-CG 3.98Å; F60-Y91 HydrophobicContact CD2-CG 3.98Å; F60-Y91 AromaticContact CG-CD2 3.82Å; F60-Y91 HydrophobicContact CG-CD2 3.82Å; F60-Y91 AromaticContact CG-CG 3.79Å; F60-Y91 HydrophobicContact CG-CG 3.79Å; E87-Y91 HydrophobicContact CB-CE2 4.03Å; E87-Y91 WeakPolarHBondContact O-CD2 3.36Å; E87-Y91 PolarHBondContact O-N 2.84Å; T88-Y91 PolarHBondContact O-N 2.89Å; Y91-R93 PolarHBondContact O-N 3.25Å; Y91-Q94 PolarHBondContact O-N 2.65Å; Y91-A95 WeakPolarHBondContact O-CB 3.1Å; Y91-A95 PolarHBondContact O-N 2.86Å
92	K	98.3	Very high	97.8	Very high	85 Å²	85	61.2 Å²	61.2	37%	0.37	29%	0.289	S	S	.	.	H	α-helix	trans	-62.8	-41.5	176.8	-74.6	179.6	178.4	176.7	0	112.7	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.23Å; F60-K92 HydrophobicContact CZ-CG 4.03Å; P67-K92 WeakPolarHBondContact O-CE 3.35Å; P67-K92 PolarHBondContact O-NZ 3.22Å; T88-K92 HydrophobicContact CG2-CD 4.16Å; T88-K92 WeakPolarHBondContact O-CG 3.38Å; T88-K92 PolarHBondContact O-N 3.34Å; K90-K92 PolarHBondContact O-N 3.16Å; K92-Q96 PolarHBondContact O-N 3.05Å
93	R	98.3	Very high	97.7	Very high	167 Å²	167	59.2 Å²	59.2	63%	0.63	27%	0.274	S	S	*	.	H	α-helix	trans	-64.6	-44.5	174.4	-75.9	-171.5	-63.8	175.9	2.3	111.1	Q89 K90 Y91 A95 Q96 T97	Q89-R93 WeakPolarHBondContact O-CB 3.37Å; Q89-R93 WeakPolarHBondContact O-CG 3.21Å; Q89-R93 PolarHBondContact O-N 2.91Å; K90-R93 PolarHBondContact O-N 3.37Å; Y91-R93 PolarHBondContact O-N 3.25Å; R93-A95 PolarHBondContact O-N 2.85Å; R93-Q96 PolarHBondContact O-N 3.08Å; R93-Q96 VanDerWaalsContact O-N 3.15Å; R93-T97 PolarHBondContact O-N 3.27Å; R93-T97 PolarHBondContact O-OG1 2.84Å
94	Q	98.3	Very high	97.7	Very high	37 Å²	37	62.6 Å²	62.6	17%	0.173	29%	0.292	C	S	.	.	H	α-helix	trans	-62.4	-42.3	178.7	-169.6	61.8	38.9	0	0	112.4	Y33 F46 K90 Y91 Q96 T97 D98 W121	Y33-Q94 HydrophobicContact CD2-CG 3.63Å; Y33-Q94 HydrophobicContact CE2-CB 4.38Å; Y33-Q94 HydrophobicContact CE2-CG 3.81Å; F46-Q94 HydrophobicContact CE2-CB 4.37Å; F46-Q94 HydrophobicContact CE2-CG 3.92Å; F46-Q94 HydrophobicContact CZ-CB 4.02Å; F46-Q94 HydrophobicContact CZ-CG 3.93Å; K90-Q94 PolarHBondContact O-N 2.9Å; Y91-Q94 PolarHBondContact O-N 2.65Å; Q94-Q96 PolarHBondContact O-N 2.82Å; Q94-T97 CarbonylContact O-C 3.55Å; Q94-T97 WeakPolarHBondContact O-CA 3.43Å; Q94-T97 WeakPolarHBondContact O-CB 3.24Å; Q94-T97 PolarHBondContact O-N 2.92Å; Q94-D98 PolarHBondContact NE2-OD1 2.8Å; Q94-D98 PolarHBondContact O-N 2.78Å; Q94-W121 VanDerWaalsContact CD-CZ3 3.49Å; Q94-W121 HydrophobicContact CG-CE3 4.44Å; Q94-W121 HydrophobicContact CG-CZ3 4.23Å
95	A	98.2	Very high	97.7	Very high	17 Å²	17	61.1 Å²	61.1	14%	0.14	29%	0.287	C	S	.	.	H	α-helix	trans	-56.9	-37.1	175.6	0	0	0	0	0	112.4	F46 Y91 R93 R99	F46-A95 HydrophobicContact CB-CB 3.77Å; F46-A95 HydrophobicContact CD1-CB 3.75Å; F46-A95 HydrophobicContact CD2-CB 4.16Å; F46-A95 HydrophobicContact CE1-CB 4.38Å; F46-A95 HydrophobicContact CG-CB 3.62Å; Y91-A95 WeakPolarHBondContact O-CB 3.1Å; Y91-A95 PolarHBondContact O-N 2.86Å; R93-A95 PolarHBondContact O-N 2.85Å; A95-R99 WeakPolarHBondContact O-CB 3.41Å; A95-R99 PolarHBondContact O-N 3.27Å; A95-R99 VanDerWaalsContact O-N 3.1Å
96	Q	97.9	Very high	97.6	Very high	103 Å²	103	59 Å²	59	48%	0.481	27%	0.271	S	S	.	.	H	α-helix	trans	-71.8	-39.6	173.9	-64	-55	-46.2	0	0	112.4	K92 R93 Q94 R99 V100	K92-Q96 PolarHBondContact O-N 3.05Å; R93-Q96 PolarHBondContact O-N 3.08Å; R93-Q96 VanDerWaalsContact O-N 3.15Å; Q94-Q96 PolarHBondContact O-N 2.82Å; Q96-R99 WeakPolarHBondContact O-CB 3.41Å; Q96-R99 PolarHBondContact O-N 2.81Å; Q96-V100 PolarHBondContact O-N 2.8Å
97	T	97.8	Very high	97.6	Very high	71 Å²	71	55.9 Å²	55.9	44%	0.436	27%	0.274	S	S	.	.	H	α-helix	trans	-59	-50.1	173.5	-59.6	0	0	0	0	110.8	R93 Q94 R99 V100 S101	R93-T97 PolarHBondContact O-N 3.27Å; R93-T97 PolarHBondContact O-OG1 2.84Å; Q94-T97 CarbonylContact O-C 3.55Å; Q94-T97 WeakPolarHBondContact O-CA 3.43Å; Q94-T97 WeakPolarHBondContact O-CB 3.24Å; Q94-T97 PolarHBondContact O-N 2.92Å; T97-R99 VanDerWaalsContact C-N 3.3Å; T97-R99 PolarHBondContact O-N 2.03Å; T97-V100 WeakPolarHBondContact O-CB 3.38Å; T97-V100 PolarHBondContact O-N 3.39Å; T97-S101 PolarHBondContact O-N 2.74Å; T97-S101 PolarHBondContact O-OG 3.43Å
98	D	97.9	Very high	97.6	Very high	5 Å²	5	58.4 Å²	58.4	3%	0.027	28%	0.283	C	S	.	.	H	α-helix	trans	-64.6	-34.9	-178.5	-72.8	-1.1	0	0	0	112.2	A35 F46 Q94 V100 S101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.63Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.45Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.28Å; Q94-D98 PolarHBondContact NE2-OD1 2.8Å; Q94-D98 PolarHBondContact O-N 2.78Å; D98-V100 VanDerWaalsContact C-N 3.32Å; D98-V100 PolarHBondContact O-N 3.31Å; D98-S101 PolarHBondContact O-N 2.97Å; D98-L102 WeakPolarHBondContact O-CB 3.43Å; D98-L102 VanDerWaalsContact O-CG 3.29Å; D98-L102 WeakPolarHBondContact O-CG 3.48Å; D98-L102 PolarHBondContact O-N 2.89Å; D98-L119 HydrophobicContact CB-CD2 4.23Å
99	R	97.3	Very high	97.6	Very high	61 Å²	61	61 Å²	61	23%	0.23	29%	0.292	C	S	.	.	H	α-helix	trans	-58.1	-43.8	171.1	175.4	-168.2	-176.9	-164.8	2	111.9	E43 P44 A95 Q96 T97 R103	E43-R99 VanDerWaalsContact CD-NE 3.31Å; E43-R99 IonicContact OE1-CZ 3.94Å; E43-R99 IonicContact OE1-NE 3.66Å; E43-R99 IonicContact OE1-NH1 3.24Å; E43-R99 IonicContact OE1-NH2 3.64Å; E43-R99 PolarHBondContact OE1-NH2 2.86Å; E43-R99 VanDerWaalsContact OE2-CD 3.3Å; E43-R99 WeakPolarHBondContact OE2-CD 3.32Å; E43-R99 IonicContact OE2-CZ 3.76Å; E43-R99 IonicContact OE2-NE 2.77Å; E43-R99 PolarHBondContact OE2-NE 2.97Å; E43-R99 IonicContact OE2-NH2 3.59Å; E43-R99 PolarHBondContact OE2-NH2 3.3Å; P44-R99 HydrophobicContact CG-CB 4.23Å; P44-R99 HydrophobicContact CG-CG 4.13Å; A95-R99 WeakPolarHBondContact O-CB 3.41Å; A95-R99 PolarHBondContact O-N 3.27Å; A95-R99 VanDerWaalsContact O-N 3.1Å; Q96-R99 WeakPolarHBondContact O-CB 3.41Å; Q96-R99 PolarHBondContact O-N 2.81Å; T97-R99 VanDerWaalsContact C-N 3.3Å; T97-R99 PolarHBondContact O-N 2.03Å; R99-R103 VanDerWaalsContact CZ-NH2 3.29Å; R99-R103 PolarHBondContact O-N 2.94Å
100	V	97.3	Very high	97.5	Very high	73 Å²	73	63.1 Å²	63.1	44%	0.442	31%	0.307	S	S	.	.	H	α-helix	trans	-70.3	-42.8	176.6	175.5	0	0	0	0	110.4	Q96 T97 D98 L102 R103 N104	Q96-V100 PolarHBondContact O-N 2.8Å; T97-V100 WeakPolarHBondContact O-CB 3.38Å; T97-V100 PolarHBondContact O-N 3.39Å; D98-V100 VanDerWaalsContact C-N 3.32Å; D98-V100 PolarHBondContact O-N 3.31Å; V100-L102 PolarHBondContact O-N 3.17Å; V100-R103 WeakPolarHBondContact O-CB 3.47Å; V100-R103 PolarHBondContact O-N 3Å; V100-R103 VanDerWaalsContact O-N 3.15Å; V100-N104 PolarHBondContact O-N 2.98Å
101	S	97.8	Very high	97.4	Very high	36 Å²	36	62.7 Å²	62.7	25%	0.252	31%	0.306	S	S	.	.	H	α-helix	trans	-58.2	-45.1	177	-63.3	0	0	0	0	112.1	T97 D98 R103 N104 L105	T97-S101 PolarHBondContact O-N 2.74Å; T97-S101 PolarHBondContact O-OG 3.43Å; D98-S101 PolarHBondContact O-N 2.97Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 2.88Å; S101-N104 PolarHBondContact O-N 3.42Å; S101-N104 VanDerWaalsContact O-N 3.13Å; S101-L105 WeakPolarHBondContact O-CB 3.4Å; S101-L105 VanDerWaalsContact O-CG 3.25Å; S101-L105 WeakPolarHBondContact O-CG 3.28Å; S101-L105 PolarHBondContact O-N 3.27Å
102	L	97.9	Very high	97.2	Very high	8 Å²	8	66.1 Å²	66.1	4%	0.042	33%	0.33	C	S	.	.	H	α-helix	trans	-57.8	-39	175.9	-78	166.9	0	0	0	112.5	A35 P44 D98 V100 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.87Å; P44-L102 HydrophobicContact CB-CD1 3.74Å; P44-L102 HydrophobicContact CG-CD1 3.86Å; D98-L102 WeakPolarHBondContact O-CB 3.43Å; D98-L102 VanDerWaalsContact O-CG 3.29Å; D98-L102 WeakPolarHBondContact O-CG 3.48Å; D98-L102 PolarHBondContact O-N 2.89Å; V100-L102 PolarHBondContact O-N 3.17Å; L102-R106 WeakPolarHBondContact O-CB 3.4Å; L102-R106 PolarHBondContact O-N 3.15Å; L102-R106 VanDerWaalsContact O-N 3.13Å; L102-H117 HydrophobicContact CD2-CB 4.33Å; L102-L119 HydrophobicContact CD2-CB 3.7Å; L102-L119 HydrophobicContact CG-CB 4.12Å; L102-Y142 HydrophobicContact CD2-CE2 4.03Å
103	R	95.8	Very high	96.8	Very high	123 Å²	123	68.4 Å²	68.4	46%	0.464	34%	0.342	S	S	.	.	H	α-helix	trans	-68.3	-42.5	175.5	-66.1	176.3	-170.1	174.9	0.4	111.9	R99 V100 S101 G107	R99-R103 VanDerWaalsContact CZ-NH2 3.29Å; R99-R103 PolarHBondContact O-N 2.94Å; V100-R103 WeakPolarHBondContact O-CB 3.47Å; V100-R103 PolarHBondContact O-N 3Å; V100-R103 VanDerWaalsContact O-N 3.15Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 2.88Å; R103-G107 PolarHBondContact O-N 3.48Å
104	N	96.8	Very high	96.5	Very high	78 Å²	78	64.8 Å²	64.8	42%	0.417	35%	0.348	S	S	.	.	H	α-helix	trans	-65.2	-47.4	179.1	-69.8	-19.9	0	0	0	111.4	V100 S101 R106 G107 Y108	V100-N104 PolarHBondContact O-N 2.98Å; S101-N104 PolarHBondContact O-N 3.42Å; S101-N104 VanDerWaalsContact O-N 3.13Å; N104-R106 PolarHBondContact O-N 3.18Å; N104-G107 CarbonylContact O-C 3.48Å; N104-G107 WeakPolarHBondContact O-CA 3.46Å; N104-G107 PolarHBondContact O-N 3.48Å; N104-Y108 WeakPolarHBondContact O-CD1 3.18Å; N104-Y108 PolarHBondContact O-N 2.94Å
105	L	97.8	Very high	96.2	Very high	8 Å²	8	71 Å²	71	4%	0.042	37%	0.37	C	S	.	.	H	α-helix	trans	-59.5	-47.5	178.8	-71.1	167.2	0	0	0	111	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.4Å; S101-L105 VanDerWaalsContact O-CG 3.25Å; S101-L105 WeakPolarHBondContact O-CG 3.28Å; S101-L105 PolarHBondContact O-N 3.27Å; L105-G107 PolarHBondContact O-N 2.95Å; L105-Y108 HydrophobicContact CD2-CD2 4.49Å; L105-Y108 PolarHBondContact O-N 3.45Å; L105-Y109 HydrophobicContact CD2-CE2 4.33Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.28Å; L105-Y109 PolarHBondContact O-N 3.22Å; L105-L119 HydrophobicContact CD1-CD1 3.84Å; L105-L119 HydrophobicContact CD1-CD2 4.25Å; L105-L119 HydrophobicContact CD1-CG 4.5Å; L105-Y142 HydrophobicContact CB-CD1 4.39Å; L105-Y142 HydrophobicContact CB-CD2 4.21Å; L105-Y142 HydrophobicContact CB-CE1 4.04Å; L105-Y142 HydrophobicContact CB-CE2 3.86Å; L105-Y142 HydrophobicContact CB-CG 4.45Å; L105-Y142 HydrophobicContact CD1-CD2 3.62Å; L105-Y142 HydrophobicContact CD1-CE2 3.96Å; L105-Y142 HydrophobicContact CD1-CG 4.06Å; L105-Y142 HydrophobicContact CG-CD2 4.44Å; L105-Y147 HydrophobicContact CD2-CD1 4.39Å; L105-Y147 HydrophobicContact CD2-CD2 4.06Å; L105-Y147 HydrophobicContact CD2-CE1 3.82Å; L105-Y147 HydrophobicContact CD2-CE2 3.42Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.42Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.41Å
106	R	96.2	Very high	96.1	Very high	62 Å²	62	73 Å²	73	23%	0.234	38%	0.383	C	S	.	.	H	α-helix	trans	-53.8	-40.6	174	-173	-173.3	65.6	-178	8.6	112	L102 N104 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.4Å; L102-R106 PolarHBondContact O-N 3.15Å; L102-R106 VanDerWaalsContact O-N 3.13Å; N104-R106 PolarHBondContact O-N 3.18Å; R106-N110 PolarHBondContact O-N 2.91Å; R106-N110 VanDerWaalsContact O-N 3.13Å; R106-Q111 HydrophobicContact CG-CB 3.81Å; R106-Q111 WeakPolarHBondContact CG-O 3.47Å; R106-Q111 PolarHBondContact O-N 3.49Å; R106-E113 IonicContact CZ-OE1 3.23Å; R106-E113 IonicContact NH1-OE1 3.87Å; R106-E113 PolarHBondContact NH1-OE1 2.62Å; R106-E113 IonicContact NH2-OE1 2.61Å; R106-E113 PolarHBondContact NH2-OE1 2.86Å
107	G	96.3	Very high	96.1	Very high	44 Å²	44	68.3 Å²	68.3	45%	0.454	36%	0.361	S	S	.	.	H	α-helix	trans	-65.9	-46.4	174.6	0	0	0	0	0	113.1	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.48Å; N104-G107 CarbonylContact O-C 3.48Å; N104-G107 WeakPolarHBondContact O-CA 3.46Å; N104-G107 PolarHBondContact O-N 3.48Å; L105-G107 PolarHBondContact O-N 2.95Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 2.93Å; G107-N110 PolarHBondContact O-N 3.33Å; G107-N110 VanDerWaalsContact O-N 3.11Å; G107-N110 PolarHBondContact O-OD1 2.83Å
108	Y	97.6	Very high	96.2	Very high	58 Å²	58	66.8 Å²	66.8	23%	0.227	35%	0.351	C	S	.	.	H	α-helix	trans	-60.6	-35.9	178.7	-64.3	-11.9	0	0	0	112.6	N104 L105 I166 K170	N104-Y108 WeakPolarHBondContact O-CD1 3.18Å; N104-Y108 PolarHBondContact O-N 2.94Å; L105-Y108 HydrophobicContact CD2-CD2 4.49Å; L105-Y108 PolarHBondContact O-N 3.45Å; Y108-I166 HydrophobicContact CD1-CD1 4.19Å; Y108-I166 HydrophobicContact CD2-CD1 4.47Å; Y108-I166 HydrophobicContact CE1-CD1 4.47Å; Y108-I166 HydrophobicContact CE1-CG2 4.13Å; Y108-I166 HydrophobicContact CE2-CB 4.21Å; Y108-I166 HydrophobicContact CE2-CG2 4.09Å; Y108-I166 HydrophobicContact CG-CD1 4.2Å; Y108-K170 PolarHBondContact OH-NZ 3.46Å
109	Y	97.6	Very high	96.2	Very high	66 Å²	66	67 Å²	67	26%	0.259	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	3.8	178.2	-69	-72.4	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.33Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.28Å; L105-Y109 PolarHBondContact O-N 3.22Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 2.93Å; Y109-Q111 VanDerWaalsContact C-N 3.26Å; Y109-Q111 PolarHBondContact O-N 2.94Å; Y109-Y142 AromaticContact CD2-CD1 3.74Å; Y109-Y142 HydrophobicContact CD2-CD1 3.74Å; Y109-Y142 AromaticContact CD2-CE1 3.54Å; Y109-Y142 HydrophobicContact CD2-CE1 3.54Å; Y109-Y142 AromaticContact CE2-CD1 3.53Å; Y109-Y142 HydrophobicContact CE2-CD1 3.53Å; Y109-Y142 AromaticContact CE2-CE1 3.87Å; Y109-Y142 HydrophobicContact CE2-CE1 3.87Å; Y109-Y142 HydrophobicContact CG-CE1 4.43Å; Y109-Y147 HydrophobicContact CE2-CD2 4.36Å; Y109-Y147 HydrophobicContact CE2-CE2 4.09Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.42Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.37Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.5Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 2.88Å; Y109-D161 PolarHBondContact OH-OD2 3.05Å; Y109-A163 HydrophobicContact CD1-CB 4.19Å; Y109-A163 HydrophobicContact CD2-CB 4.44Å; Y109-A163 HydrophobicContact CE1-CB 3.64Å; Y109-A163 HydrophobicContact CE2-CB 3.91Å; Y109-A163 VanDerWaalsContact CZ-CB 3.48Å
110	N	96.3	Very high	96.3	Very high	152 Å²	152	67.9 Å²	67.9	81%	0.813	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	41.4	-178	-58.9	-57.3	0	0	0	113.6	R106 G107	R106-N110 PolarHBondContact O-N 2.91Å; R106-N110 VanDerWaalsContact O-N 3.13Å; G107-N110 PolarHBondContact O-N 3.33Å; G107-N110 VanDerWaalsContact O-N 3.11Å; G107-N110 PolarHBondContact O-OD1 2.83Å
111	Q	96.3	Very high	96.4	Very high	62 Å²	62	66.6 Å²	66.6	29%	0.29	35%	0.346	S	S	.	.			trans	-91.5	151.7	-175.1	-69.5	167.8	-27.2	0	0	112.4	R106 Y109 H117 Y142	R106-Q111 HydrophobicContact CG-CB 3.81Å; R106-Q111 WeakPolarHBondContact CG-O 3.47Å; R106-Q111 PolarHBondContact O-N 3.49Å; Y109-Q111 VanDerWaalsContact C-N 3.26Å; Y109-Q111 PolarHBondContact O-N 2.94Å; Q111-H117 PolarHBondContact OE1-CE1 3.08Å; Q111-H117 PolarHBondContact OE1-ND1 2.83Å; Q111-Y142 PolarHBondContact OE1-OH 3.41Å
112	S	93.5	Very high	96.4	Very high	73 Å²	73	65.9 Å²	65.9	51%	0.51	34%	0.339	S	S	.	.			trans	-69.5	150	-179.8	69.2	0	0	0	0	112.7	A114	S112-A114 PolarHBondContact O-N 2.97Å
113	E	90.2	Very high	96.4	Very high	133 Å²	133	66.2 Å²	66.2	62%	0.621	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-18.2	175.8	-52.2	-155.9	129.1	0	0	114.5	P39 R106 R115	P39-E113 VanDerWaalsContact CB-O 3.24Å; P39-E113 WeakPolarHBondContact CB-O 3.48Å; P39-E113 WeakPolarHBondContact CG-O 3.38Å; R106-E113 IonicContact CZ-OE1 3.23Å; R106-E113 IonicContact NH1-OE1 3.87Å; R106-E113 PolarHBondContact NH1-OE1 2.62Å; R106-E113 IonicContact NH2-OE1 2.61Å; R106-E113 PolarHBondContact NH2-OE1 2.86Å; E113-R115 VanDerWaalsContact C-N 3.31Å; E113-R115 PolarHBondContact O-N 3.45Å
114	A	91.2	Very high	96.6	Very high	90 Å²	90	60.4 Å²	60.4	74%	0.744	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-16.3	-174.6	0	0	0	0	0	113.7	S112	S112-A114 PolarHBondContact O-N 2.97Å
115	R	92.6	Very high	96.6	Very high	169 Å²	169	56.7 Å²	56.7	64%	0.638	30%	0.298	S	S	*	.	S	Bend	trans	-94.8	141.3	-175.7	-172.3	173.5	176.3	163.6	0.3	111	P39 E113 H117	P39-R115 VanDerWaalsContact CG-O 3.27Å; P39-R115 WeakPolarHBondContact CG-O 3.33Å; E113-R115 VanDerWaalsContact C-N 3.31Å; E113-R115 PolarHBondContact O-N 3.45Å; R115-H117 PolarHBondContact O-CD2 3.43Å; R115-H117 VanDerWaalsContact O-CD2 3.22Å
116	S	96.9	Very high	96.7	Very high	59 Å²	59	57.4 Å²	57.4	41%	0.413	30%	0.302	S	S	.	.			trans	-78.9	136.8	169.9	179	0	0	0	0	109.9	S37	S37-S116 WeakPolarHBondContact O-CB 3.47Å; S37-S116 PolarHBondContact O-OG 3.45Å
117	H	98.1	Very high	96.7	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.019	29%	0.292	C	S	.	.			trans	-128.8	150	179.9	-62.9	-77.7	0	0	0	110.8	S37 L102 Q111 R115 Y142 D143	S37-H117 PolarHBondContact N-O 2.67Å; S37-H117 WeakPolarHBondContact OG-CA 3.37Å; S37-H117 PolarHBondContact OG-N 3.48Å; S37-H117 PolarHBondContact OG-O 3.31Å; L102-H117 HydrophobicContact CD2-CB 4.33Å; Q111-H117 PolarHBondContact OE1-CE1 3.08Å; Q111-H117 PolarHBondContact OE1-ND1 2.83Å; R115-H117 PolarHBondContact O-CD2 3.43Å; R115-H117 VanDerWaalsContact O-CD2 3.22Å; H117-Y142 HydrophobicContact CB-CE2 3.8Å; H117-Y142 WeakPolarHBondContact CB-OH 3.36Å; H117-Y142 AromaticContact CG-CZ 3.99Å; H117-Y142 AromaticContact ND1-CZ 3.9Å; H117-Y142 PolarHBondContact ND1-OH 3.37Å; H117-D143 WeakPolarHBondContact CA-OD1 3.07Å; H117-D143 WeakPolarHBondContact CB-OD1 3.33Å; H117-D143 IonicContact CE1-OD2 3.72Å; H117-D143 IonicContact CG-OD1 3.73Å; H117-D143 IonicContact CG-OD2 3.77Å; H117-D143 IonicContact ND1-OD1 3.69Å; H117-D143 PolarHBondContact ND1-OD1 3.36Å; H117-D143 IonicContact ND1-OD2 2.77Å; H117-D143 PolarHBondContact ND1-OD2 3.19Å
118	T	98.6	Very high	96.6	Very high	38 Å²	38	52.9 Å²	52.9	23%	0.233	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	129.9	-176.2	-57.9	0	0	0	0	110.5	T34 A35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.99Å; A35-T118 WeakPolarHBondContact O-CA 3.19Å; V36-T118 HydrophobicContact CG2-CG2 4.2Å; T118-Q120 HydrophobicContact CG2-CG 3.96Å; T118-Y142 WeakPolarHBondContact O-CA 3.35Å; T118-Y142 VanDerWaalsContact O-CD2 3.28Å; T118-Y142 WeakPolarHBondContact O-CD2 2.97Å; T118-D143 PolarHBondContact N-OD1 2.96Å; T118-D143 PolarHBondContact O-N 2.92Å
119	L	98.8	Very high	96.2	Very high	10 Å²	10	54.6 Å²	54.6	5%	0.052	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.2	169.7	175	61.9	0	0	0	108.3	T34 A35 D98 L102 L105 A141	T34-L119 CarbonylContact C-O 3.54Å; T34-L119 WeakPolarHBondContact CA-O 3.49Å; A35-L119 HydrophobicContact CB-CB 4.46Å; A35-L119 PolarHBondContact N-O 3.13Å; A35-L119 PolarHBondContact O-N 3.07Å; D98-L119 HydrophobicContact CB-CD2 4.23Å; L102-L119 HydrophobicContact CD2-CB 3.7Å; L102-L119 HydrophobicContact CG-CB 4.12Å; L105-L119 HydrophobicContact CD1-CD1 3.84Å; L105-L119 HydrophobicContact CD1-CD2 4.25Å; L105-L119 HydrophobicContact CD1-CG 4.5Å; L119-A141 WeakPolarHBondContact CD1-O 3.21Å
120	Q	98.8	Very high	95.8	Very high	79 Å²	79	56.1 Å²	56.1	37%	0.369	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.4	177.2	-64.1	172.5	-86.5	0	0	109.4	Y33 T34 T118 S140 A141	Y33-Q120 VanDerWaalsContact O-CA 3.31Å; Y33-Q120 WeakPolarHBondContact O-CA 3.48Å; T34-Q120 HydrophobicContact CG2-CG 4.1Å; T118-Q120 HydrophobicContact CG2-CG 3.96Å; Q120-S140 CarbonylContact O-C 3.52Å; Q120-S140 WeakPolarHBondContact O-CA 3.37Å; Q120-A141 HydrophobicContact CB-CB 4.4Å; Q120-A141 PolarHBondContact N-O 3.11Å; Q120-A141 PolarHBondContact O-N 3.28Å
121	W	98.6	Very high	95.4	Very high	47 Å²	47	49.8 Å²	49.8	18%	0.178	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	125.5	176.9	-179.1	34.6	0	0	0	109.6	F32 Y33 Q94 F123 D138 Q139	F32-W121 WeakPolarHBondContact CA-O 3.39Å; Y33-W121 AromaticContact CD2-CE3 3.54Å; Y33-W121 HydrophobicContact CD2-CE3 3.54Å; Y33-W121 AromaticContact CD2-CZ3 3.87Å; Y33-W121 HydrophobicContact CD2-CZ3 3.87Å; Y33-W121 AromaticContact CE2-CE3 3.97Å; Y33-W121 HydrophobicContact CE2-CE3 3.97Å; Y33-W121 AromaticContact CE2-CZ3 3.81Å; Y33-W121 HydrophobicContact CE2-CZ3 3.81Å; Y33-W121 PolarHBondContact N-O 3.29Å; Y33-W121 PolarHBondContact O-N 3.11Å; Q94-W121 VanDerWaalsContact CD-CZ3 3.49Å; Q94-W121 HydrophobicContact CG-CE3 4.44Å; Q94-W121 HydrophobicContact CG-CZ3 4.23Å; W121-F123 AromaticContact CD2-CD1 3.76Å; W121-F123 HydrophobicContact CD2-CD1 3.76Å; W121-F123 HydrophobicContact CD2-CE1 4.21Å; W121-F123 AromaticContact CE2-CD1 3.54Å; W121-F123 HydrophobicContact CE3-CD1 4.1Å; W121-F123 HydrophobicContact CE3-CE1 4.07Å; W121-F123 HydrophobicContact CG-CD1 4.34Å; W121-F123 AromaticContact CH2-CD1 3.97Å; W121-F123 HydrophobicContact CH2-CD1 3.97Å; W121-F123 AromaticContact CH2-CE1 3.98Å; W121-F123 HydrophobicContact CH2-CE1 3.98Å; W121-F123 HydrophobicContact CZ2-CB 4.36Å; W121-F123 AromaticContact CZ2-CD1 3.67Å; W121-F123 HydrophobicContact CZ2-CD1 3.67Å; W121-F123 HydrophobicContact CZ2-CE1 4.16Å; W121-F123 HydrophobicContact CZ2-CG 4.04Å; W121-F123 HydrophobicContact CZ3-CD1 4.18Å; W121-F123 AromaticContact CZ3-CE1 3.93Å; W121-F123 HydrophobicContact CZ3-CE1 3.93Å; W121-D138 VanDerWaalsContact CZ2-OD2 3.28Å; W121-D138 WeakPolarHBondContact CZ2-OD2 3.46Å; W121-D138 PolarHBondContact NE1-OD1 2.82Å; W121-D138 PolarHBondContact NE1-OD2 3.41Å; W121-D138 VanDerWaalsContact NE1-OD2 3.11Å; W121-Q139 WeakPolarHBondContact CA-O 3.4Å
122	M	98.6	Very high	95.3	Very high	20 Å²	20	55 Å²	55	10%	0.099	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.1	174.1	-172.5	-77.5	-71.3	0	0	109	Y31 F32 Y137 D138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.38Å; F32-M122 HydrophobicContact CD1-CB 4Å; F32-M122 HydrophobicContact CD1-CG 3.53Å; F32-M122 HydrophobicContact CE1-CB 4.2Å; F32-M122 HydrophobicContact CE1-CG 3.32Å; F32-M122 HydrophobicContact CG-CG 4.36Å; F32-M122 HydrophobicContact CZ-CG 4Å; M122-Y137 HydrophobicContact CE-CD1 4.16Å; M122-Y137 HydrophobicContact CE-CG 4.17Å; M122-D138 WeakPolarHBondContact O-CA 3.32Å; M122-Q139 HydrophobicContact CB-CG 4.08Å; M122-Q139 VanDerWaalsContact CE-CD 3.41Å; M122-Q139 HydrophobicContact CE-CG 3.82Å; M122-Q139 PolarHBondContact N-O 3.21Å; M122-Q139 PolarHBondContact O-N 2.98Å
123	F	98.6	Very high	95.5	Very high	16 Å²	16	54 Å²	54	7%	0.07	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	156.8	174	66.7	-84.3	0	0	0	110.8	Y31 Y33 W121 Y137 D138 Y183	Y31-F123 VanDerWaalsContact CB-CZ 3.43Å; Y31-F123 HydrophobicContact CD2-CD2 4.41Å; Y31-F123 AromaticContact CD2-CE2 3.7Å; Y31-F123 HydrophobicContact CD2-CE2 3.7Å; Y31-F123 AromaticContact CD2-CZ 3.94Å; Y31-F123 HydrophobicContact CD2-CZ 3.94Å; Y31-F123 HydrophobicContact CE2-CE2 4.5Å; Y31-F123 HydrophobicContact CG-CE1 4.39Å; Y31-F123 HydrophobicContact CG-CE2 4.02Å; Y31-F123 AromaticContact CG-CZ 3.76Å; Y31-F123 HydrophobicContact CG-CZ 3.76Å; Y31-F123 PolarHBondContact N-O 3.13Å; Y31-F123 PolarHBondContact O-N 3.33Å; Y31-F123 VanDerWaalsContact O-N 3.15Å; Y33-F123 HydrophobicContact CD2-CE1 4.03Å; Y33-F123 HydrophobicContact CE1-CE1 4.11Å; Y33-F123 HydrophobicContact CE1-CZ 4.36Å; Y33-F123 AromaticContact CE2-CE1 3.54Å; Y33-F123 HydrophobicContact CE2-CE1 3.54Å; Y33-F123 AromaticContact CE2-CZ 3.97Å; Y33-F123 HydrophobicContact CE2-CZ 3.97Å; Y33-F123 AromaticContact CZ-CE1 3.58Å; Y33-F123 AromaticContact CZ-CZ 3.68Å; Y33-F123 WeakPolarHBondContact OH-CZ 3.45Å; W121-F123 AromaticContact CD2-CD1 3.76Å; W121-F123 HydrophobicContact CD2-CD1 3.76Å; W121-F123 HydrophobicContact CD2-CE1 4.21Å; W121-F123 AromaticContact CE2-CD1 3.54Å; W121-F123 HydrophobicContact CE3-CD1 4.1Å; W121-F123 HydrophobicContact CE3-CE1 4.07Å; W121-F123 HydrophobicContact CG-CD1 4.34Å; W121-F123 AromaticContact CH2-CD1 3.97Å; W121-F123 HydrophobicContact CH2-CD1 3.97Å; W121-F123 AromaticContact CH2-CE1 3.98Å; W121-F123 HydrophobicContact CH2-CE1 3.98Å; W121-F123 HydrophobicContact CZ2-CB 4.36Å; W121-F123 AromaticContact CZ2-CD1 3.67Å; W121-F123 HydrophobicContact CZ2-CD1 3.67Å; W121-F123 HydrophobicContact CZ2-CE1 4.16Å; W121-F123 HydrophobicContact CZ2-CG 4.04Å; W121-F123 HydrophobicContact CZ3-CD1 4.18Å; W121-F123 AromaticContact CZ3-CE1 3.93Å; W121-F123 HydrophobicContact CZ3-CE1 3.93Å; F123-Y137 WeakPolarHBondContact CA-O 3.08Å; F123-Y137 WeakPolarHBondContact CB-O 3.49Å; F123-D138 HydrophobicContact CB-CB 4.4Å; F123-Y183 AromaticContact CD2-CE1 3.87Å; F123-Y183 HydrophobicContact CD2-CE1 3.87Å; F123-Y183 HydrophobicContact CE2-CE1 4.01Å
124	G	98.5	Very high	95.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.3	-175.2	-177	0	0	0	0	0	114.3	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.53Å; M29-G124 WeakPolarHBondContact O-CA 3.34Å; G124-G136 CarbonylContact O-C 3.58Å; G124-G136 WeakPolarHBondContact O-CA 3.36Å; G124-Y137 PolarHBondContact N-O 2.81Å; G124-Y137 PolarHBondContact O-N 2.86Å; G124-L184 WeakPolarHBondContact O-CD2 3.48Å
125	C	98.5	Very high	96	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	147.6	-176.9	53.7	0	0	0	0	111.4	S28 M29 L133 R135 C188	S28-C125 CarbonylContact C-O 3.52Å; S28-C125 WeakPolarHBondContact CA-O 3.14Å; M29-C125 PolarHBondContact N-O 3.06Å; M29-C125 PolarHBondContact O-N 3.21Å; C125-L133 HydrophobicContact CB-CD1 3.56Å; C125-R135 CarbonylContact C-O 3.58Å; C125-R135 WeakPolarHBondContact CA-O 3.41Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.25Å; C125-C188 PolarHBondContact N-SG 2.92Å; C125-C188 WeakPolarHBondContact SG-CB 3.49Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.27Å
126	D	98	Very high	96.3	Very high	23 Å²	23	46 Å²	46	12%	0.123	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	137.8	170.9	-59.9	-10.8	0	0	0	109	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.6Å; H27-D126 WeakPolarHBondContact O-CA 3.45Å; S28-D126 WeakPolarHBondContact CB-OD1 3.4Å; R30-D126 IonicContact CZ-OD1 3.49Å; R30-D126 IonicContact NE-OD1 2.84Å; R30-D126 PolarHBondContact NE-OD1 2.85Å; R30-D126 VanDerWaalsContact NH2-CG 3.3Å; R30-D126 IonicContact NH2-OD1 3.42Å; R30-D126 PolarHBondContact NH2-OD1 2.86Å; R30-D126 IonicContact NH2-OD2 2.8Å; R30-D126 PolarHBondContact NH2-OD2 3.41Å; D126-L134 HydrophobicContact CB-CB 4.38Å; D126-L134 PolarHBondContact O-N 3.38Å; D126-R135 HydrophobicContact CB-CB 4.46Å; D126-R135 PolarHBondContact N-O 2.88Å; D126-R135 PolarHBondContact O-N 3.22Å; D126-Y137 HydrophobicContact CB-CE2 4.48Å; D126-Y137 VanDerWaalsContact CG-CE2 3.48Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.46Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.45Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.28Å; D126-Y137 PolarHBondContact OD2-OH 2.8Å
127	L	96.9	Very high	96.3	Very high	4 Å²	4	45 Å²	45	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	137.1	172.6	-54.5	-177.3	0	0	0	109.6	S26 H27 R132 V189 L192 R193	S26-L127 WeakPolarHBondContact CA-O 3.26Å; H27-L127 PolarHBondContact N-O 3.46Å; H27-L127 PolarHBondContact O-N 3.44Å; L127-R132 VanDerWaalsContact CA-O 3.22Å; L127-R132 WeakPolarHBondContact CA-O 3.24Å; L127-V189 HydrophobicContact CD1-CG1 4.41Å; L127-V189 HydrophobicContact CD2-CB 4.16Å; L127-V189 HydrophobicContact CD2-CG1 3.76Å; L127-V189 HydrophobicContact CD2-CG2 3.84Å; L127-L192 HydrophobicContact CD1-CB 4.23Å; L127-L192 HydrophobicContact CD1-CD2 3.67Å; L127-L192 HydrophobicContact CD1-CG 3.73Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.22Å; L127-R193 HydrophobicContact CD1-CG 3.95Å
128	G	93.7	Very high	96.3	Very high	7 Å²	7	45 Å²	45	7%	0.072	22%	0.223	C	C	.	.			trans	-73.8	177.4	166.5	0	0	0	0	0	112	D130 G131 R132	G128-D130 PolarHBondContact O-N 2.88Å; G128-D130 VanDerWaalsContact O-N 3.15Å; G128-G131 WeakPolarHBondContact O-CA 3.43Å; G128-G131 PolarHBondContact O-N 2.79Å; G128-R132 PolarHBondContact N-O 2.83Å
129	P	89.8	Confident	96.3	Very high	94 Å²	94	47.2 Å²	47.2	61%	0.61	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-24	179.9	-25.1	35.2	0	0	0	114.8	G25 G131	G25-P129 WeakPolarHBondContact O-CA 3.17Å; P129-G131 PolarHBondContact O-N 3.5Å
130	D	89.1	Confident	96.3	Very high	99 Å²	99	47.5 Å²	47.5	53%	0.529	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	1.3	173.9	71.6	-13.2	0	0	0	113.2	G128 R132	G128-D130 PolarHBondContact O-N 2.88Å; G128-D130 VanDerWaalsContact O-N 3.15Å; D130-R132 VanDerWaalsContact C-N 3.25Å; D130-R132 PolarHBondContact O-N 3.2Å; D130-R132 WeakPolarHBondContact OD1-CB 3.17Å; D130-R132 PolarHBondContact OD1-N 3.3Å; D130-R132 WeakPolarHBondContact OD2-CD 3.45Å; D130-R132 VanDerWaalsContact OD2-CG 3.31Å; D130-R132 WeakPolarHBondContact OD2-CG 3.27Å; D130-R132 IonicContact OD2-NE 3.66Å
131	G	88.9	Confident	96.3	Very high	18 Å²	18	44.5 Å²	44.5	19%	0.186	22%	0.222	C	C	.	.	S	Bend	trans	72.6	10.1	-178.7	0	0	0	0	0	114	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.43Å; G128-G131 PolarHBondContact O-N 2.79Å; P129-G131 PolarHBondContact O-N 3.5Å; G131-R193 VanDerWaalsContact O-CZ 3.24Å; G131-R193 PolarHBondContact O-NE 3.08Å; G131-R193 PolarHBondContact O-NH2 2.74Å
132	R	93.9	Very high	96.3	Very high	172 Å²	172	42.8 Å²	42.8	65%	0.649	22%	0.216	S	C	*	.	S	Bend	trans	-87.7	155.1	177.2	-61.9	-173.9	-176.2	171	-2.2	111.2	L127 G128 D130 L134	L127-R132 VanDerWaalsContact CA-O 3.22Å; L127-R132 WeakPolarHBondContact CA-O 3.24Å; G128-R132 PolarHBondContact N-O 2.83Å; D130-R132 VanDerWaalsContact C-N 3.25Å; D130-R132 PolarHBondContact O-N 3.2Å; D130-R132 WeakPolarHBondContact OD1-CB 3.17Å; D130-R132 PolarHBondContact OD1-N 3.3Å; D130-R132 WeakPolarHBondContact OD2-CD 3.45Å; D130-R132 VanDerWaalsContact OD2-CG 3.31Å; D130-R132 WeakPolarHBondContact OD2-CG 3.27Å; D130-R132 IonicContact OD2-NE 3.66Å; R132-L134 PolarHBondContact O-N 3.3Å; R132-L134 VanDerWaalsContact O-N 3.14Å
133	L	96.6	Very high	96.3	Very high	51 Å²	51	44.5 Å²	44.5	27%	0.267	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	118.7	174.9	-177	72.6	0	0	0	109.7	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.56Å; L133-R135 WeakPolarHBondContact CD1-O 3.36Å; L133-L154 HydrophobicContact CD2-CD1 4.22Å; L133-E185 HydrophobicContact CD2-CB 4.37Å; L133-E185 HydrophobicContact CD2-CG 3.66Å; L133-V189 HydrophobicContact CB-CG2 4.04Å; L133-V189 HydrophobicContact CD1-CG2 4.1Å
134	L	96.3	Very high	96.2	Very high	122 Å²	122	46.6 Å²	46.6	64%	0.639	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	-45.9	171.1	-177.3	66.1	0	0	0	110.1	D126 R132	D126-L134 HydrophobicContact CB-CB 4.38Å; D126-L134 PolarHBondContact O-N 3.38Å; R132-L134 PolarHBondContact O-N 3.3Å; R132-L134 VanDerWaalsContact O-N 3.14Å
135	R	96.7	Very high	96.2	Very high	97 Å²	97	54.3 Å²	54.3	37%	0.366	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	143	-177.2	-174.3	162.9	171	147.5	11.1	111.9	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.58Å; C125-R135 WeakPolarHBondContact CA-O 3.41Å; D126-R135 HydrophobicContact CB-CB 4.46Å; D126-R135 PolarHBondContact N-O 2.88Å; D126-R135 PolarHBondContact O-N 3.22Å; L133-R135 WeakPolarHBondContact CD1-O 3.36Å; R135-Y137 HydrophobicContact CB-CE2 4.05Å; R135-Y137 VanDerWaalsContact CD-CZ 3.45Å; R135-Y137 VanDerWaalsContact CD-OH 3.24Å; R135-Y137 WeakPolarHBondContact CD-OH 3.33Å; R135-Y137 HydrophobicContact CG-CD2 4.4Å; R135-Y137 HydrophobicContact CG-CE1 4.06Å; R135-Y137 HydrophobicContact CG-CE2 3.73Å; R135-E152 IonicContact CZ-OE1 3.38Å; R135-E152 VanDerWaalsContact NH1-CD 3.3Å; R135-E152 IonicContact NH1-OE1 2.75Å; R135-E152 PolarHBondContact NH1-OE1 2.84Å; R135-E152 IonicContact NH1-OE2 3.53Å; R135-E152 VanDerWaalsContact NH2-CG 3.33Å; R135-E152 IonicContact NH2-OE1 3.54Å; R135-E152 PolarHBondContact NH2-OE1 3.48Å
136	G	97.9	Very high	96.2	Very high	5 Å²	5	60.4 Å²	60.4	5%	0.052	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	152.2	169.5	0	0	0	0	0	111.1	G124	G124-G136 CarbonylContact O-C 3.58Å; G124-G136 WeakPolarHBondContact O-CA 3.36Å
137	Y	98.1	Very high	96.3	Very high	39 Å²	39	59.7 Å²	59.7	15%	0.153	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	139.7	-179.4	-55.2	-96.4	0	0	0	110.2	R30 M122 F123 G124 D126 R135	R30-Y137 PolarHBondContact NH2-OH 3.47Å; M122-Y137 HydrophobicContact CE-CD1 4.16Å; M122-Y137 HydrophobicContact CE-CG 4.17Å; F123-Y137 WeakPolarHBondContact CA-O 3.08Å; F123-Y137 WeakPolarHBondContact CB-O 3.49Å; G124-Y137 PolarHBondContact N-O 2.81Å; G124-Y137 PolarHBondContact O-N 2.86Å; D126-Y137 HydrophobicContact CB-CE2 4.48Å; D126-Y137 VanDerWaalsContact CG-CE2 3.48Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.46Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.45Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.28Å; D126-Y137 PolarHBondContact OD2-OH 2.8Å; R135-Y137 HydrophobicContact CB-CE2 4.05Å; R135-Y137 VanDerWaalsContact CD-CZ 3.45Å; R135-Y137 VanDerWaalsContact CD-OH 3.24Å; R135-Y137 WeakPolarHBondContact CD-OH 3.33Å; R135-Y137 HydrophobicContact CG-CD2 4.4Å; R135-Y137 HydrophobicContact CG-CE1 4.06Å; R135-Y137 HydrophobicContact CG-CE2 3.73Å
138	D	98.4	Very high	96.4	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.021	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	110.8	163.3	-171.2	-58.9	0	0	0	107.4	W121 M122 F123 A149 L150 L180	W121-D138 VanDerWaalsContact CZ2-OD2 3.28Å; W121-D138 WeakPolarHBondContact CZ2-OD2 3.46Å; W121-D138 PolarHBondContact NE1-OD1 2.82Å; W121-D138 PolarHBondContact NE1-OD2 3.41Å; W121-D138 VanDerWaalsContact NE1-OD2 3.11Å; M122-D138 WeakPolarHBondContact O-CA 3.32Å; F123-D138 HydrophobicContact CB-CB 4.4Å; D138-A149 CarbonylContact O-C 3.49Å; D138-A149 WeakPolarHBondContact O-CA 3.43Å; D138-L150 HydrophobicContact CB-CB 3.86Å; D138-L150 HydrophobicContact CB-CD2 4.13Å; D138-L150 PolarHBondContact O-N 2.94Å; D138-L180 HydrophobicContact CB-CD1 4.32Å; D138-L180 WeakPolarHBondContact OD2-CD2 3.46Å
139	Q	98.5	Very high	96.6	Very high	84 Å²	84	60.9 Å²	60.9	39%	0.393	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	135.7	-177.8	64.9	-169.1	56.3	0	0	111.6	W121 M122 I148 A149	W121-Q139 WeakPolarHBondContact CA-O 3.4Å; M122-Q139 HydrophobicContact CB-CG 4.08Å; M122-Q139 VanDerWaalsContact CE-CD 3.41Å; M122-Q139 HydrophobicContact CE-CG 3.82Å; M122-Q139 PolarHBondContact N-O 3.21Å; M122-Q139 PolarHBondContact O-N 2.98Å; Q139-I148 WeakPolarHBondContact CA-O 3.33Å; Q139-A149 HydrophobicContact CB-CB 3.86Å
140	S	98.6	Very high	97	Very high	16 Å²	16	57 Å²	57	11%	0.112	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	145	179	-61.4	0	0	0	0	111.2	Q120 Y147 I148	Q120-S140 CarbonylContact O-C 3.52Å; Q120-S140 WeakPolarHBondContact O-CA 3.37Å; S140-Y147 WeakPolarHBondContact O-CB 3.24Å; S140-Y147 PolarHBondContact O-N 3.07Å; S140-I148 PolarHBondContact N-O 3.23Å; S140-I148 PolarHBondContact O-N 3.24Å
141	A	98.8	Very high	97.5	Very high	16 Å²	16	54.3 Å²	54.3	13%	0.132	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	145.2	174.5	0	0	0	0	0	110.7	L119 Q120 K145	L119-A141 WeakPolarHBondContact CD1-O 3.21Å; Q120-A141 HydrophobicContact CB-CB 4.4Å; Q120-A141 PolarHBondContact N-O 3.11Å; Q120-A141 PolarHBondContact O-N 3.28Å; A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.48Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.35Å
142	Y	98.7	Very high	97.9	Very high	11 Å²	11	59.9 Å²	59.9	4%	0.043	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.7	177.8	-174.6	-120.6	0	0	0	110.4	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.03Å; L105-Y142 HydrophobicContact CB-CD1 4.39Å; L105-Y142 HydrophobicContact CB-CD2 4.21Å; L105-Y142 HydrophobicContact CB-CE1 4.04Å; L105-Y142 HydrophobicContact CB-CE2 3.86Å; L105-Y142 HydrophobicContact CB-CG 4.45Å; L105-Y142 HydrophobicContact CD1-CD2 3.62Å; L105-Y142 HydrophobicContact CD1-CE2 3.96Å; L105-Y142 HydrophobicContact CD1-CG 4.06Å; L105-Y142 HydrophobicContact CG-CD2 4.44Å; Y109-Y142 AromaticContact CD2-CD1 3.74Å; Y109-Y142 HydrophobicContact CD2-CD1 3.74Å; Y109-Y142 AromaticContact CD2-CE1 3.54Å; Y109-Y142 HydrophobicContact CD2-CE1 3.54Å; Y109-Y142 AromaticContact CE2-CD1 3.53Å; Y109-Y142 HydrophobicContact CE2-CD1 3.53Å; Y109-Y142 AromaticContact CE2-CE1 3.87Å; Y109-Y142 HydrophobicContact CE2-CE1 3.87Å; Y109-Y142 HydrophobicContact CG-CE1 4.43Å; Q111-Y142 PolarHBondContact OE1-OH 3.41Å; H117-Y142 HydrophobicContact CB-CE2 3.8Å; H117-Y142 WeakPolarHBondContact CB-OH 3.36Å; H117-Y142 AromaticContact CG-CZ 3.99Å; H117-Y142 AromaticContact ND1-CZ 3.9Å; H117-Y142 PolarHBondContact ND1-OH 3.37Å; T118-Y142 WeakPolarHBondContact O-CA 3.35Å; T118-Y142 VanDerWaalsContact O-CD2 3.28Å; T118-Y142 WeakPolarHBondContact O-CD2 2.97Å; Y142-G144 PolarHBondContact O-N 2.62Å; Y142-K145 PolarHBondContact N-O 2.62Å; Y142-K145 PolarHBondContact O-N 2.93Å; Y142-K145 VanDerWaalsContact O-N 3.08Å
143	D	98.1	Very high	98	Very high	56 Å²	56	55.3 Å²	55.3	30%	0.299	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	38.8	-174.2	-68.9	-19.4	0	0	0	113.5	H117 T118 K145	H117-D143 WeakPolarHBondContact CA-OD1 3.07Å; H117-D143 WeakPolarHBondContact CB-OD1 3.33Å; H117-D143 IonicContact CE1-OD2 3.72Å; H117-D143 IonicContact CG-OD1 3.73Å; H117-D143 IonicContact CG-OD2 3.77Å; H117-D143 IonicContact ND1-OD1 3.69Å; H117-D143 PolarHBondContact ND1-OD1 3.36Å; H117-D143 IonicContact ND1-OD2 2.77Å; H117-D143 PolarHBondContact ND1-OD2 3.19Å; T118-D143 PolarHBondContact N-OD1 2.96Å; T118-D143 PolarHBondContact O-N 2.92Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 3.41Å
144	G	97.3	Very high	98.1	Very high	60 Å²	60	53.3 Å²	53.3	62%	0.619	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	10.5	178	0	0	0	0	0	115.1	Y142	Y142-G144 PolarHBondContact O-N 2.62Å
145	K	98.4	Very high	98.1	Very high	162 Å²	162	55.5 Å²	55.5	70%	0.704	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	145.7	175.8	-62.2	-177.7	-179.5	-177.7	0	110.7	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.48Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.35Å; Y142-K145 PolarHBondContact N-O 2.62Å; Y142-K145 PolarHBondContact O-N 2.93Å; Y142-K145 VanDerWaalsContact O-N 3.08Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 3.41Å; K145-Y147 PolarHBondContact O-N 2.86Å
146	D	98.6	Very high	98.2	Very high	128 Å²	128	52.9 Å²	52.9	68%	0.684	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.1	136.2	174	-65.5	-21.3	0	0	0	110.7	A160	D146-A160 HydrophobicContact CB-CB 4.29Å; D146-A160 WeakPolarHBondContact O-CB 3.39Å
147	Y	98.8	Very high	98.2	Very high	9 Å²	9	53.2 Å²	53.2	4%	0.035	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-63.1	178.4	179.9	-108.7	0	0	0	110.3	L105 Y109 S140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.39Å; L105-Y147 HydrophobicContact CD2-CD2 4.06Å; L105-Y147 HydrophobicContact CD2-CE1 3.82Å; L105-Y147 HydrophobicContact CD2-CE2 3.42Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.42Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.41Å; Y109-Y147 HydrophobicContact CE2-CD2 4.36Å; Y109-Y147 HydrophobicContact CE2-CE2 4.09Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.42Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.37Å; S140-Y147 WeakPolarHBondContact O-CB 3.24Å; S140-Y147 PolarHBondContact O-N 3.07Å; K145-Y147 PolarHBondContact O-N 2.86Å; Y147-A160 WeakPolarHBondContact O-CB 3.42Å; Y147-A160 PolarHBondContact O-N 3.32Å; Y147-A163 HydrophobicContact CE2-CB 4.45Å; Y147-A163 PolarHBondContact OH-O 3.01Å; Y147-A164 HydrophobicContact CD2-CB 3.84Å; Y147-A164 HydrophobicContact CE1-CB 4.43Å; Y147-A164 HydrophobicContact CE2-CB 3.71Å; Y147-A164 HydrophobicContact CG-CB 4.27Å; Y147-A164 WeakPolarHBondContact O-CB 3.14Å; Y147-T167 HydrophobicContact CE1-CG2 4.23Å; Y147-T167 PolarHBondContact OH-OG1 3.42Å
148	I	98.7	Very high	98.3	Very high	4 Å²	4	55 Å²	55	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	142	179.4	-161.8	171	0	0	0	110.3	Q139 S140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.33Å; S140-I148 PolarHBondContact N-O 3.23Å; S140-I148 PolarHBondContact O-N 3.24Å; I148-W157 HydrophobicContact CD1-CB 4.33Å; I148-W157 HydrophobicContact CD1-CD2 4.42Å; I148-W157 HydrophobicContact CD1-CE3 4.18Å; I148-W157 HydrophobicContact CG1-CB 4.41Å; I148-W157 HydrophobicContact CG1-CE3 4.04Å; I148-T158 WeakPolarHBondContact CA-O 3.29Å; I148-T167 HydrophobicContact CD1-CG2 4.07Å; I148-Q168 HydrophobicContact CD1-CB 3.93Å; I148-W171 HydrophobicContact CD1-CE3 4.01Å; I148-W171 HydrophobicContact CD1-CZ3 4.24Å; I148-W171 HydrophobicContact CG2-CH2 4.07Å; I148-W171 HydrophobicContact CG2-CZ3 3.72Å
149	A	98.8	Very high	98.3	Very high	31 Å²	31	56 Å²	56	26%	0.256	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	140.6	177.5	0	0	0	0	0	111.6	D138 Q139 W157 T158	D138-A149 CarbonylContact O-C 3.49Å; D138-A149 WeakPolarHBondContact O-CA 3.43Å; Q139-A149 HydrophobicContact CB-CB 3.86Å; A149-W157 WeakPolarHBondContact O-CA 3.28Å; A149-T158 PolarHBondContact N-O 2.98Å; A149-T158 PolarHBondContact O-N 3.08Å
150	L	98.7	Very high	98.3	Very high	14 Å²	14	54.8 Å²	54.8	7%	0.073	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	128.6	168.4	-175.8	67.3	0	0	0	108.6	D138 L154 W157 A177 L180 L184	D138-L150 HydrophobicContact CB-CB 3.86Å; D138-L150 HydrophobicContact CB-CD2 4.13Å; D138-L150 PolarHBondContact O-N 2.94Å; L150-L154 HydrophobicContact CD2-CB 4.48Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.31Å; L150-W157 HydrophobicContact CB-CE3 4.05Å; L150-W157 HydrophobicContact CB-CH2 4.2Å; L150-W157 HydrophobicContact CB-CZ3 3.7Å; L150-W157 HydrophobicContact CD1-CD2 4.23Å; L150-W157 HydrophobicContact CD1-CE3 4.29Å; L150-W157 HydrophobicContact CD1-CH2 4.11Å; L150-W157 HydrophobicContact CD1-CZ2 4.02Å; L150-W157 HydrophobicContact CD1-CZ3 4.21Å; L150-A177 HydrophobicContact CD1-CB 4.01Å; L150-L180 HydrophobicContact CD2-CB 4.26Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å
151	N	98.5	Very high	98.3	Very high	42 Å²	42	56.6 Å²	56.6	23%	0.225	31%	0.314	C	S	.	.			trans	-72.6	163.2	-179.9	-67.5	-28.7	0	0	0	111.3	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.65Å; N151-L154 PolarHBondContact O-N 3.03Å; N151-S156 WeakPolarHBondContact CB-O 3.44Å; N151-S156 WeakPolarHBondContact CB-OG 3.49Å; N151-S156 PolarHBondContact N-O 2.59Å; N151-S156 PolarHBondContact ND2-OG 3.16Å; N151-T158 PolarHBondContact ND2-OG1 3.28Å; N151-T158 WeakPolarHBondContact OD1-CB 3.22Å; N151-T158 PolarHBondContact OD1-OG1 3.44Å
152	E	97.3	Very high	98.2	Very high	135 Å²	135	61.1 Å²	61.1	63%	0.631	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-21.9	-179.7	-66.4	179	-167.4	0	0	113.6	R135 L154	R135-E152 IonicContact CZ-OE1 3.38Å; R135-E152 VanDerWaalsContact NH1-CD 3.3Å; R135-E152 IonicContact NH1-OE1 2.75Å; R135-E152 PolarHBondContact NH1-OE1 2.84Å; R135-E152 IonicContact NH1-OE2 3.53Å; R135-E152 VanDerWaalsContact NH2-CG 3.33Å; R135-E152 IonicContact NH2-OE1 3.54Å; R135-E152 PolarHBondContact NH2-OE1 3.48Å; E152-L154 PolarHBondContact O-N 3.29Å
153	D	97.1	Very high	98.2	Very high	76 Å²	76	60.9 Å²	60.9	41%	0.406	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-8.2	174.5	70.4	3.7	0	0	0	114	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.65Å; D153-R155 WeakPolarHBondContact O-CG 3.25Å; D153-R155 PolarHBondContact O-N 2.86Å; D153-R155 PolarHBondContact OD1-N 2.86Å; D153-S156 VanDerWaalsContact CG-OG 3.22Å; D153-S156 PolarHBondContact OD1-N 3.37Å; D153-S156 PolarHBondContact OD1-OG 3.05Å; D153-S156 VanDerWaalsContact OD1-OG 3.09Å; D153-S156 WeakPolarHBondContact OD2-CB 3.4Å; D153-S156 PolarHBondContact OD2-OG 2.92Å
154	L	97.8	Very high	98.2	Very high	9 Å²	9	58.2 Å²	58.2	5%	0.047	33%	0.326	C	S	.	.	S	Bend	trans	53.5	28.8	-175.3	-53.3	-178.4	0	0	0	113.6	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.22Å; L150-L154 HydrophobicContact CD2-CB 4.48Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.31Å; N151-L154 PolarHBondContact O-N 3.03Å; E152-L154 PolarHBondContact O-N 3.29Å; L154-R181 HydrophobicContact CB-CB 4.12Å; L154-R181 HydrophobicContact CB-CG 3.89Å; L154-R181 HydrophobicContact CD1-CG 4.19Å; L154-L184 HydrophobicContact CD2-CD1 3.95Å; L154-E185 HydrophobicContact CD1-CG 4.24Å
155	R	97.4	Very high	98.3	Very high	168 Å²	168	58.9 Å²	58.9	63%	0.634	31%	0.313	S	S	*	.	S	Bend	trans	-135.9	-32.1	-174.3	-70.1	171.7	-172.3	-134.9	7.3	112.9	D153	D153-R155 WeakPolarHBondContact O-CG 3.25Å; D153-R155 PolarHBondContact O-N 2.86Å; D153-R155 PolarHBondContact OD1-N 2.86Å
156	S	97.9	Very high	98.3	Very high	41 Å²	41	54 Å²	54	29%	0.287	29%	0.294	S	S	.	.			trans	-115.2	163.3	-176.9	64	0	0	0	0	111.8	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.44Å; N151-S156 WeakPolarHBondContact CB-OG 3.49Å; N151-S156 PolarHBondContact N-O 2.59Å; N151-S156 PolarHBondContact ND2-OG 3.16Å; D153-S156 VanDerWaalsContact CG-OG 3.22Å; D153-S156 PolarHBondContact OD1-N 3.37Å; D153-S156 PolarHBondContact OD1-OG 3.05Å; D153-S156 VanDerWaalsContact OD1-OG 3.09Å; D153-S156 WeakPolarHBondContact OD2-CB 3.4Å; D153-S156 PolarHBondContact OD2-OG 2.92Å
157	W	98.6	Very high	98.2	Very high	13 Å²	13	48.8 Å²	48.8	5%	0.049	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	145	-175.7	-61.7	95.1	0	0	0	110.8	I148 A149 L150 Q168 W171 E176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.33Å; I148-W157 HydrophobicContact CD1-CD2 4.42Å; I148-W157 HydrophobicContact CD1-CE3 4.18Å; I148-W157 HydrophobicContact CG1-CB 4.41Å; I148-W157 HydrophobicContact CG1-CE3 4.04Å; A149-W157 WeakPolarHBondContact O-CA 3.28Å; L150-W157 HydrophobicContact CB-CE3 4.05Å; L150-W157 HydrophobicContact CB-CH2 4.2Å; L150-W157 HydrophobicContact CB-CZ3 3.7Å; L150-W157 HydrophobicContact CD1-CD2 4.23Å; L150-W157 HydrophobicContact CD1-CE3 4.29Å; L150-W157 HydrophobicContact CD1-CH2 4.11Å; L150-W157 HydrophobicContact CD1-CZ2 4.02Å; L150-W157 HydrophobicContact CD1-CZ3 4.21Å; W157-Q168 HydrophobicContact CB-CG 4.04Å; W157-Q168 PolarHBondContact O-NE2 2.97Å; W157-W171 HydrophobicContact CD2-CE3 4.01Å; W157-W171 AromaticContact CE2-CE3 3.83Å; W157-W171 AromaticContact CE3-CE3 3.84Å; W157-W171 HydrophobicContact CE3-CE3 3.84Å; W157-W171 AromaticContact CE3-CZ3 3.94Å; W157-W171 HydrophobicContact CE3-CZ3 3.94Å; W157-W171 HydrophobicContact CH2-CD2 4.38Å; W157-W171 AromaticContact CH2-CE3 3.26Å; W157-W171 HydrophobicContact CH2-CE3 3.26Å; W157-W171 HydrophobicContact CH2-CH2 4.43Å; W157-W171 AromaticContact CH2-CZ3 3.3Å; W157-W171 HydrophobicContact CH2-CZ3 3.3Å; W157-W171 HydrophobicContact CZ2-CB 4.49Å; W157-W171 HydrophobicContact CZ2-CD2 4.32Å; W157-W171 AromaticContact CZ2-CE3 3.47Å; W157-W171 HydrophobicContact CZ2-CE3 3.47Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.47Å; W157-W171 HydrophobicContact CZ2-CZ3 4.02Å; W157-W171 AromaticContact CZ3-CE3 3.5Å; W157-W171 HydrophobicContact CZ3-CE3 3.5Å; W157-W171 AromaticContact CZ3-CZ3 3.29Å; W157-W171 HydrophobicContact CZ3-CZ3 3.29Å; W157-E176 HydrophobicContact CZ2-CB 4.3Å; W157-A177 HydrophobicContact CZ2-CB 4.26Å; W157-L180 HydrophobicContact CH2-CD1 3.35Å; W157-L180 HydrophobicContact CZ2-CD1 3.83Å; W157-L180 HydrophobicContact CZ3-CD1 4.46Å
158	T	98.7	Very high	98.2	Very high	77 Å²	77	50.2 Å²	50.2	47%	0.472	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	115.5	165.5	-66.7	0	0	0	0	108.9	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.29Å; A149-T158 PolarHBondContact N-O 2.98Å; A149-T158 PolarHBondContact O-N 3.08Å; N151-T158 PolarHBondContact ND2-OG1 3.28Å; N151-T158 WeakPolarHBondContact OD1-CB 3.22Å; N151-T158 PolarHBondContact OD1-OG1 3.44Å
159	A	98.6	Very high	98.2	Very high	24 Å²	24	57.3 Å²	57.3	20%	0.198	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	130.9	174.3	0	0	0	0	0	110.3	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.73Å; A159-Q165 HydrophobicContact CB-CG 3.98Å; A159-Q168 HydrophobicContact CB-CB 4.43Å
160	A	98.4	Very high	98.2	Very high	59 Å²	59	61.2 Å²	61.2	49%	0.488	31%	0.311	S	S	.	.	S	Bend	trans	-74.3	-30	-176.6	0	0	0	0	0	113.3	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.29Å; D146-A160 WeakPolarHBondContact O-CB 3.39Å; Y147-A160 WeakPolarHBondContact O-CB 3.42Å; Y147-A160 PolarHBondContact O-N 3.32Å
161	D	98.3	Very high	98.2	Very high	54 Å²	54	64 Å²	64	29%	0.289	32%	0.321	S	S	.	.	S	Bend	trans	-151.5	-176	-178.9	67.7	29.6	0	0	0	113.3	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.5Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 2.88Å; Y109-D161 PolarHBondContact OH-OD2 3.05Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.27Å; D161-A163 WeakPolarHBondContact OD1-CA 3.26Å; D161-A163 WeakPolarHBondContact OD1-CB 3.31Å; D161-A163 PolarHBondContact OD1-N 2.91Å; D161-A164 PolarHBondContact O-N 3.48Å; D161-A164 PolarHBondContact OD1-N 3.2Å; D161-Q165 WeakPolarHBondContact O-CG 3.26Å; D161-Q165 PolarHBondContact O-N 2.98Å
162	T	98.1	Very high	98.2	Very high	111 Å²	111	66.5 Å²	66.5	68%	0.681	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-27.8	-179.2	51.8	0	0	0	0	113.9
163	A	97.9	Very high	98.2	Very high	5 Å²	5	64.2 Å²	64.2	4%	0.041	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-43.6	175.4	0	0	0	0	0	109.9	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.19Å; Y109-A163 HydrophobicContact CD2-CB 4.44Å; Y109-A163 HydrophobicContact CE1-CB 3.64Å; Y109-A163 HydrophobicContact CE2-CB 3.91Å; Y109-A163 VanDerWaalsContact CZ-CB 3.48Å; Y147-A163 HydrophobicContact CE2-CB 4.45Å; Y147-A163 PolarHBondContact OH-O 3.01Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.27Å; D161-A163 WeakPolarHBondContact OD1-CA 3.26Å; D161-A163 WeakPolarHBondContact OD1-CB 3.31Å; D161-A163 PolarHBondContact OD1-N 2.91Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 3.49Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.42Å; A163-I166 PolarHBondContact O-N 2.87Å
164	A	98.4	Very high	98.2	Very high	0 Å²	0	63 Å²	63	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-60.1	-34.1	174	0	0	0	0	0	113.2	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.84Å; Y147-A164 HydrophobicContact CE1-CB 4.43Å; Y147-A164 HydrophobicContact CE2-CB 3.71Å; Y147-A164 HydrophobicContact CG-CB 4.27Å; Y147-A164 WeakPolarHBondContact O-CB 3.14Å; A159-A164 HydrophobicContact CB-CB 3.73Å; D161-A164 PolarHBondContact O-N 3.48Å; D161-A164 PolarHBondContact OD1-N 3.2Å; A164-I166 PolarHBondContact O-N 2.85Å; A164-T167 WeakPolarHBondContact O-CB 3.41Å; A164-T167 PolarHBondContact O-N 3.06Å; A164-Q168 PolarHBondContact O-N 3.19Å
165	Q	98.6	Very high	98.2	Very high	75 Å²	75	70.2 Å²	70.2	35%	0.35	36%	0.363	S	S	.	.	H	α-helix	trans	-59.6	-27.1	173.2	-72.5	175.3	11.9	0	0	113.2	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.98Å; D161-Q165 WeakPolarHBondContact O-CG 3.26Å; D161-Q165 PolarHBondContact O-N 2.98Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 3.49Å; Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.35Å; Q165-R169 PolarHBondContact O-N 3.13Å; Q165-R169 VanDerWaalsContact O-N 3.12Å
166	I	98.3	Very high	98.2	Very high	60 Å²	60	65 Å²	65	31%	0.308	35%	0.346	S	S	.	.	H	α-helix	trans	-67.2	-44.6	174.2	-56.6	171.2	0	0	0	109.8	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.19Å; Y108-I166 HydrophobicContact CD2-CD1 4.47Å; Y108-I166 HydrophobicContact CE1-CD1 4.47Å; Y108-I166 HydrophobicContact CE1-CG2 4.13Å; Y108-I166 HydrophobicContact CE2-CB 4.21Å; Y108-I166 HydrophobicContact CE2-CG2 4.09Å; Y108-I166 HydrophobicContact CG-CD1 4.2Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.42Å; A163-I166 PolarHBondContact O-N 2.87Å; A164-I166 PolarHBondContact O-N 2.85Å; I166-K170 WeakPolarHBondContact O-CG 3.47Å; I166-K170 PolarHBondContact O-N 2.9Å
167	T	98.2	Very high	98.2	Very high	17 Å²	17	63.5 Å²	63.5	10%	0.104	34%	0.336	C	S	.	.	H	α-helix	trans	-64.4	-46.2	174.7	-68.9	0	0	0	0	111	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.23Å; Y147-T167 PolarHBondContact OH-OG1 3.42Å; I148-T167 HydrophobicContact CD1-CG2 4.07Å; A164-T167 WeakPolarHBondContact O-CB 3.41Å; A164-T167 PolarHBondContact O-N 3.06Å; T167-R169 PolarHBondContact O-N 2.85Å; T167-K170 WeakPolarHBondContact O-CB 3.49Å; T167-K170 PolarHBondContact O-N 2.84Å; T167-K170 VanDerWaalsContact O-N 3.08Å; T167-W171 HydrophobicContact CG2-CD2 3.63Å; T167-W171 VanDerWaalsContact CG2-CE2 3.5Å; T167-W171 HydrophobicContact CG2-CE3 4.07Å; T167-W171 HydrophobicContact CG2-CG 4.06Å; T167-W171 HydrophobicContact CG2-CH2 4.31Å; T167-W171 HydrophobicContact CG2-CZ2 3.88Å; T167-W171 HydrophobicContact CG2-CZ3 4.38Å; T167-W171 PolarHBondContact O-N 2.69Å
168	Q	98.6	Very high	98.2	Very high	39 Å²	39	68.4 Å²	68.4	18%	0.182	36%	0.359	C	S	.	.	H	α-helix	trans	-51.4	-52.9	177.8	176.7	175	8.3	0	0	111.8	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.93Å; W157-Q168 HydrophobicContact CB-CG 4.04Å; W157-Q168 PolarHBondContact O-NE2 2.97Å; A159-Q168 HydrophobicContact CB-CB 4.43Å; A164-Q168 PolarHBondContact O-N 3.19Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 2.96Å; Q168-W171 PolarHBondContact O-N 2.82Å; Q168-W171 VanDerWaalsContact O-N 3.15Å; Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.26Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.43Å; Q168-E172 PolarHBondContact NE2-OE1 3.49Å; Q168-E172 WeakPolarHBondContact O-CB 3.38Å; Q168-E172 WeakPolarHBondContact O-CG 3.47Å; Q168-E172 PolarHBondContact O-N 2.86Å
169	R	98.6	Very high	98.1	Very high	154 Å²	154	70.7 Å²	70.7	58%	0.581	37%	0.365	S	S	*	.	H	α-helix	trans	-60.3	-37.4	-180	-68.3	170.7	-164.1	151.3	8.8	112.6	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.35Å; Q165-R169 PolarHBondContact O-N 3.13Å; Q165-R169 VanDerWaalsContact O-N 3.12Å; T167-R169 PolarHBondContact O-N 2.85Å; R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.24Å; R169-A173 PolarHBondContact O-N 2.82Å
170	K	98	Very high	98	Very high	113 Å²	113	71.1 Å²	71.1	49%	0.491	36%	0.363	S	S	.	.	H	α-helix	trans	-66.3	-45.1	176.5	-72.9	177.1	176.4	-175.5	0	111.1	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.46Å; I166-K170 WeakPolarHBondContact O-CG 3.47Å; I166-K170 PolarHBondContact O-N 2.9Å; T167-K170 WeakPolarHBondContact O-CB 3.49Å; T167-K170 PolarHBondContact O-N 2.84Å; T167-K170 VanDerWaalsContact O-N 3.08Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 2.96Å; K170-A173 PolarHBondContact O-N 2.84Å; K170-A174 WeakPolarHBondContact O-CB 3.42Å; K170-A174 PolarHBondContact O-N 2.94Å
171	W	98.1	Very high	98	Very high	71 Å²	71	71.8 Å²	71.8	27%	0.269	35%	0.353	S	S	.	.	H	α-helix	trans	-69.9	-36.9	-179.2	-73.7	2.5	0	0	0	112.7	I148 W157 T167 Q168 A174 R175 E176	I148-W171 HydrophobicContact CD1-CE3 4.01Å; I148-W171 HydrophobicContact CD1-CZ3 4.24Å; I148-W171 HydrophobicContact CG2-CH2 4.07Å; I148-W171 HydrophobicContact CG2-CZ3 3.72Å; W157-W171 HydrophobicContact CD2-CE3 4.01Å; W157-W171 AromaticContact CE2-CE3 3.83Å; W157-W171 AromaticContact CE3-CE3 3.84Å; W157-W171 HydrophobicContact CE3-CE3 3.84Å; W157-W171 AromaticContact CE3-CZ3 3.94Å; W157-W171 HydrophobicContact CE3-CZ3 3.94Å; W157-W171 HydrophobicContact CH2-CD2 4.38Å; W157-W171 AromaticContact CH2-CE3 3.26Å; W157-W171 HydrophobicContact CH2-CE3 3.26Å; W157-W171 HydrophobicContact CH2-CH2 4.43Å; W157-W171 AromaticContact CH2-CZ3 3.3Å; W157-W171 HydrophobicContact CH2-CZ3 3.3Å; W157-W171 HydrophobicContact CZ2-CB 4.49Å; W157-W171 HydrophobicContact CZ2-CD2 4.32Å; W157-W171 AromaticContact CZ2-CE3 3.47Å; W157-W171 HydrophobicContact CZ2-CE3 3.47Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.47Å; W157-W171 HydrophobicContact CZ2-CZ3 4.02Å; W157-W171 AromaticContact CZ3-CE3 3.5Å; W157-W171 HydrophobicContact CZ3-CE3 3.5Å; W157-W171 AromaticContact CZ3-CZ3 3.29Å; W157-W171 HydrophobicContact CZ3-CZ3 3.29Å; T167-W171 HydrophobicContact CG2-CD2 3.63Å; T167-W171 VanDerWaalsContact CG2-CE2 3.5Å; T167-W171 HydrophobicContact CG2-CE3 4.07Å; T167-W171 HydrophobicContact CG2-CG 4.06Å; T167-W171 HydrophobicContact CG2-CH2 4.31Å; T167-W171 HydrophobicContact CG2-CZ2 3.88Å; T167-W171 HydrophobicContact CG2-CZ3 4.38Å; T167-W171 PolarHBondContact O-N 2.69Å; Q168-W171 PolarHBondContact O-N 2.82Å; Q168-W171 VanDerWaalsContact O-N 3.15Å; W171-A174 CarbonylContact O-C 3.6Å; W171-A174 PolarHBondContact O-N 3.4Å; W171-R175 WeakPolarHBondContact O-CA 3.32Å; W171-R175 PolarHBondContact O-N 3.29Å; W171-E176 HydrophobicContact CB-CB 4.02Å; W171-E176 HydrophobicContact CB-CG 3.87Å; W171-E176 HydrophobicContact CG-CB 4.2Å; W171-E176 HydrophobicContact CG-CG 3.84Å; W171-E176 PolarHBondContact O-N 3.02Å
172	E	98.4	Very high	98	Very high	95 Å²	95	72.4 Å²	72.4	44%	0.444	37%	0.366	S	S	.	.	H	α-helix	trans	-63.8	-45.8	171.8	-73.3	170.4	173.1	0	0	111.3	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.26Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.43Å; Q168-E172 PolarHBondContact NE2-OE1 3.49Å; Q168-E172 WeakPolarHBondContact O-CB 3.38Å; Q168-E172 WeakPolarHBondContact O-CG 3.47Å; Q168-E172 PolarHBondContact O-N 2.86Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 3.38Å; E172-R175 PolarHBondContact O-N 2.97Å; E172-R175 VanDerWaalsContact O-N 3.14Å
173	A	98.3	Very high	97.9	Very high	87 Å²	87	69.6 Å²	69.6	72%	0.719	34%	0.343	S	S	*	.	H	α-helix	trans	-63.2	-35.2	176.8	0	0	0	0	0	112.7	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.24Å; R169-A173 PolarHBondContact O-N 2.82Å; K170-A173 PolarHBondContact O-N 2.84Å
174	A	97.9	Very high	98	Very high	52 Å²	52	69.4 Å²	69.4	43%	0.43	34%	0.341	S	S	.	.	H	α-helix	trans	-85.7	-4.1	176.7	0	0	0	0	0	114	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.42Å; K170-A174 PolarHBondContact O-N 2.94Å; W171-A174 CarbonylContact O-C 3.6Å; W171-A174 PolarHBondContact O-N 3.4Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 3.38Å; A174-E176 VanDerWaalsContact C-N 3.27Å; A174-E176 HydrophobicContact CB-CG 4.03Å; A174-E176 PolarHBondContact O-N 2.94Å
175	R	97.6	Very high	97.9	Very high	159 Å²	159	73.7 Å²	73.7	60%	0.6	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	38.5	-176.6	-56.4	179.5	172	-148.9	4.8	113.9	W171 E172 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.32Å; W171-R175 PolarHBondContact O-N 3.29Å; E172-R175 PolarHBondContact O-N 2.97Å; E172-R175 VanDerWaalsContact O-N 3.14Å; R175-A177 PolarHBondContact O-N 2.77Å; R175-E178 HydrophobicContact CB-CG 4.23Å; R175-E178 WeakPolarHBondContact CD-OE1 3.48Å; R175-E178 IonicContact CZ-OE1 2.76Å; R175-E178 IonicContact NH1-OE1 3.88Å; R175-E178 PolarHBondContact NH1-OE1 3.31Å; R175-E178 IonicContact NH1-OE2 3.18Å; R175-E178 WeakPolarHBondContact O-CB 3.39Å; R175-E178 PolarHBondContact O-N 2.88Å
176	E	97.3	Very high	97.9	Very high	60 Å²	60	71.2 Å²	71.2	28%	0.28	36%	0.356	S	S	.	.	H	α-helix	trans	-58.7	-33.6	-177.4	-65.2	-68.6	178.4	0	0	112.7	W157 W171 A174 E178 Q179 L180	W157-E176 HydrophobicContact CZ2-CB 4.3Å; W171-E176 HydrophobicContact CB-CB 4.02Å; W171-E176 HydrophobicContact CB-CG 3.87Å; W171-E176 HydrophobicContact CG-CB 4.2Å; W171-E176 HydrophobicContact CG-CG 3.84Å; W171-E176 PolarHBondContact O-N 3.02Å; A174-E176 VanDerWaalsContact C-N 3.27Å; A174-E176 HydrophobicContact CB-CG 4.03Å; A174-E176 PolarHBondContact O-N 2.94Å; E176-E178 PolarHBondContact O-N 3.23Å; E176-Q179 PolarHBondContact O-N 3.45Å; E176-Q179 VanDerWaalsContact O-N 3.1Å; E176-L180 PolarHBondContact O-N 2.91Å
177	A	97.9	Very high	97.8	Very high	9 Å²	9	72.5 Å²	72.5	7%	0.074	36%	0.363	C	S	.	.	H	α-helix	trans	-58.9	-33.2	177.2	0	0	0	0	0	112.7	L150 W157 R175 R181	L150-A177 HydrophobicContact CD1-CB 4.01Å; W157-A177 HydrophobicContact CZ2-CB 4.26Å; R175-A177 PolarHBondContact O-N 2.77Å; A177-R181 WeakPolarHBondContact O-CB 3.44Å; A177-R181 PolarHBondContact O-N 2.99Å
178	E	97.5	Very high	97.8	Very high	115 Å²	115	71.7 Å²	71.7	54%	0.537	36%	0.358	S	S	.	.	H	α-helix	trans	-66.1	-38.9	177.6	-63.6	178.4	-175.8	0	0	111.4	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.23Å; R175-E178 WeakPolarHBondContact CD-OE1 3.48Å; R175-E178 IonicContact CZ-OE1 2.76Å; R175-E178 IonicContact NH1-OE1 3.88Å; R175-E178 PolarHBondContact NH1-OE1 3.31Å; R175-E178 IonicContact NH1-OE2 3.18Å; R175-E178 WeakPolarHBondContact O-CB 3.39Å; R175-E178 PolarHBondContact O-N 2.88Å; E176-E178 PolarHBondContact O-N 3.23Å; E178-A182 WeakPolarHBondContact O-CB 3.47Å; E178-A182 PolarHBondContact O-N 3.14Å; E178-A182 VanDerWaalsContact O-N 3.08Å
179	Q	96.3	Very high	97.8	Very high	126 Å²	126	70.1 Å²	70.1	59%	0.589	35%	0.351	S	S	*	.	H	α-helix	trans	-70.7	-45.2	178.3	-60.3	-174.8	30.6	0	0	111.6	E176 A182 Y183	E176-Q179 PolarHBondContact O-N 3.45Å; E176-Q179 VanDerWaalsContact O-N 3.1Å; Q179-A182 PolarHBondContact O-N 2.84Å; Q179-Y183 PolarHBondContact O-N 2.63Å
180	L	97.4	Very high	97.8	Very high	32 Å²	32	68.5 Å²	68.5	17%	0.168	35%	0.35	C	S	.	.	H	α-helix	trans	-63.4	-43.4	177.7	-69.5	172.3	0	0	0	111.2	D138 L150 W157 E176 A182 Y183 L184	D138-L180 HydrophobicContact CB-CD1 4.32Å; D138-L180 WeakPolarHBondContact OD2-CD2 3.46Å; L150-L180 HydrophobicContact CD2-CB 4.26Å; W157-L180 HydrophobicContact CH2-CD1 3.35Å; W157-L180 HydrophobicContact CZ2-CD1 3.83Å; W157-L180 HydrophobicContact CZ3-CD1 4.46Å; E176-L180 PolarHBondContact O-N 2.91Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 3.33Å; L180-Y183 WeakPolarHBondContact O-CB 3.45Å; L180-Y183 PolarHBondContact O-N 3.07Å; L180-L184 WeakPolarHBondContact O-CB 3.41Å; L180-L184 VanDerWaalsContact O-CG 3.24Å; L180-L184 WeakPolarHBondContact O-CG 3.48Å; L180-L184 PolarHBondContact O-N 2.65Å
181	R	97.9	Very high	97.8	Very high	73 Å²	73	65.1 Å²	65.1	28%	0.275	33%	0.334	S	S	.	.	H	α-helix	trans	-58.5	-44.9	174.3	-176	173.3	179.9	-138.2	-14.9	112.1	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.12Å; L154-R181 HydrophobicContact CB-CG 3.89Å; L154-R181 HydrophobicContact CD1-CG 4.19Å; A177-R181 WeakPolarHBondContact O-CB 3.44Å; A177-R181 PolarHBondContact O-N 2.99Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 3.2Å; R181-L184 PolarHBondContact O-N 3.12Å; R181-E185 HydrophobicContact CG-CG 4.1Å; R181-E185 IonicContact CZ-OE1 2.79Å; R181-E185 VanDerWaalsContact CZ-OE1 3.27Å; R181-E185 IonicContact CZ-OE2 3.65Å; R181-E185 VanDerWaalsContact NE-CD 3.32Å; R181-E185 IonicContact NE-OE1 3.39Å; R181-E185 PolarHBondContact NE-OE1 3.37Å; R181-E185 IonicContact NE-OE2 3.99Å; R181-E185 PolarHBondContact NE-OE2 2.87Å; R181-E185 IonicContact NH2-OE1 2.68Å; R181-E185 PolarHBondContact NH2-OE1 3.03Å; R181-E185 IonicContact NH2-OE2 3.02Å; R181-E185 PolarHBondContact NH2-OE2 2.97Å; R181-E185 WeakPolarHBondContact O-CB 3.44Å; R181-E185 PolarHBondContact O-N 3.32Å
182	A	98	Very high	97.8	Very high	67 Å²	67	61.7 Å²	61.7	55%	0.554	32%	0.321	S	S	*	.	H	α-helix	trans	-61.4	-37.7	176.9	0	0	0	0	0	112.6	E178 Q179 L180 G186	E178-A182 WeakPolarHBondContact O-CB 3.47Å; E178-A182 PolarHBondContact O-N 3.14Å; E178-A182 VanDerWaalsContact O-N 3.08Å; Q179-A182 PolarHBondContact O-N 2.84Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 3.33Å; A182-G186 PolarHBondContact O-N 2.85Å; A182-G186 VanDerWaalsContact O-N 3.16Å
183	Y	97.6	Very high	97.7	Very high	53 Å²	53	63 Å²	63	21%	0.208	32%	0.322	C	S	.	.	I	π-helix	trans	-66.9	-48.7	173.1	169	-98.3	0	0	0	112.1	F123 Q179 L180 R181 G186 L187 C188	F123-Y183 AromaticContact CD2-CE1 3.87Å; F123-Y183 HydrophobicContact CD2-CE1 3.87Å; F123-Y183 HydrophobicContact CE2-CE1 4.01Å; Q179-Y183 PolarHBondContact O-N 2.63Å; L180-Y183 WeakPolarHBondContact O-CB 3.45Å; L180-Y183 PolarHBondContact O-N 3.07Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 3.2Å; Y183-G186 CarbonylContact O-C 3.58Å; Y183-G186 PolarHBondContact O-N 3.48Å; Y183-L187 HydrophobicContact CD2-CB 3.83Å; Y183-L187 HydrophobicContact CD2-CD1 4.23Å; Y183-L187 HydrophobicContact CE2-CB 4.07Å; Y183-L187 PolarHBondContact O-N 2.79Å; Y183-L187 VanDerWaalsContact O-N 3.09Å; Y183-C188 HydrophobicContact CD1-CB 4.4Å; Y183-C188 HydrophobicContact CE1-CB 3.93Å; Y183-C188 WeakPolarHBondContact O-CB 3.47Å; Y183-C188 PolarHBondContact O-N 2.68Å
184	L	98.3	Very high	97.6	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.005	31%	0.309	C	S	.	.	I	π-helix	trans	-68.1	-40.5	-174.8	-70	171.7	0	0	0	112.5	G124 L150 L154 L180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.48Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å; L154-L184 HydrophobicContact CD2-CD1 3.95Å; L180-L184 WeakPolarHBondContact O-CB 3.41Å; L180-L184 VanDerWaalsContact O-CG 3.24Å; L180-L184 WeakPolarHBondContact O-CG 3.48Å; L180-L184 PolarHBondContact O-N 2.65Å; R181-L184 PolarHBondContact O-N 3.12Å; L184-V189 WeakPolarHBondContact O-CG2 3.24Å
185	E	97.6	Very high	97.6	Very high	90 Å²	90	62 Å²	62	42%	0.421	29%	0.288	S	S	.	.	I	π-helix	trans	-79.1	-21.9	177	-68.3	-179.1	167.5	0	0	113.1	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.37Å; L133-E185 HydrophobicContact CD2-CG 3.66Å; L154-E185 HydrophobicContact CD1-CG 4.24Å; R181-E185 HydrophobicContact CG-CG 4.1Å; R181-E185 IonicContact CZ-OE1 2.79Å; R181-E185 VanDerWaalsContact CZ-OE1 3.27Å; R181-E185 IonicContact CZ-OE2 3.65Å; R181-E185 VanDerWaalsContact NE-CD 3.32Å; R181-E185 IonicContact NE-OE1 3.39Å; R181-E185 PolarHBondContact NE-OE1 3.37Å; R181-E185 IonicContact NE-OE2 3.99Å; R181-E185 PolarHBondContact NE-OE2 2.87Å; R181-E185 IonicContact NH2-OE1 2.68Å; R181-E185 PolarHBondContact NH2-OE1 3.03Å; R181-E185 IonicContact NH2-OE2 3.02Å; R181-E185 PolarHBondContact NH2-OE2 2.97Å; R181-E185 WeakPolarHBondContact O-CB 3.44Å; R181-E185 PolarHBondContact O-N 3.32Å
186	G	97.6	Very high	97.5	Very high	22 Å²	22	55 Å²	55	23%	0.227	26%	0.263	C	S	.	.	I	π-helix	trans	-110	-92.3	-176.6	0	0	0	0	0	112.9	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.85Å; A182-G186 VanDerWaalsContact O-N 3.16Å; Y183-G186 CarbonylContact O-C 3.58Å; Y183-G186 PolarHBondContact O-N 3.48Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 2.59Å; G186-V189 PolarHBondContact O-N 2.83Å; G186-V189 VanDerWaalsContact O-N 3.14Å; G186-E190 WeakPolarHBondContact O-CG 3.11Å; G186-E190 PolarHBondContact O-N 3.13Å
187	L	97.4	Very high	97.4	Very high	87 Å²	87	60.2 Å²	60.2	46%	0.455	29%	0.285	S	S	.	.	I	π-helix	trans	-57.2	-39.8	-170.6	-70.6	176	0	0	0	113.2	Y183 V189 E190 W191	Y183-L187 HydrophobicContact CD2-CB 3.83Å; Y183-L187 HydrophobicContact CD2-CD1 4.23Å; Y183-L187 HydrophobicContact CE2-CB 4.07Å; Y183-L187 PolarHBondContact O-N 2.79Å; Y183-L187 VanDerWaalsContact O-N 3.09Å; L187-V189 PolarHBondContact O-N 2.72Å; L187-E190 PolarHBondContact O-N 2.85Å; L187-W191 WeakPolarHBondContact O-CB 3.17Å; L187-W191 PolarHBondContact O-N 2.8Å
188	C	98.3	Very high	97.3	Very high	0 Å²	0	62 Å²	62	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.9	-48.6	178.9	-170.8	0	0	0	0	111.1	M29 C125 Y183 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 VanDerWaalsContact CE-O 3.23Å; M29-C188 WeakPolarHBondContact CE-O 3.38Å; M29-C188 WeakPolarHBondContact CE-SG 3.33Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.25Å; C125-C188 PolarHBondContact N-SG 2.92Å; C125-C188 WeakPolarHBondContact SG-CB 3.49Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.27Å; Y183-C188 HydrophobicContact CD1-CB 4.4Å; Y183-C188 HydrophobicContact CE1-CB 3.93Å; Y183-C188 WeakPolarHBondContact O-CB 3.47Å; Y183-C188 PolarHBondContact O-N 2.68Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 2.59Å; C188-E190 PolarHBondContact O-N 3.31Å; C188-W191 PolarHBondContact O-N 3.11Å; C188-L192 WeakPolarHBondContact O-CB 3.38Å; C188-L192 PolarHBondContact O-N 3.15Å
189	V	98.1	Very high	97.2	Very high	7 Å²	7	56.7 Å²	56.7	4%	0.042	27%	0.269	C	S	.	.	H	α-helix	trans	-61.9	-45.1	177.3	178.1	0	0	0	0	111.3	L127 L133 L184 G186 L187 R193	L127-V189 HydrophobicContact CD1-CG1 4.41Å; L127-V189 HydrophobicContact CD2-CB 4.16Å; L127-V189 HydrophobicContact CD2-CG1 3.76Å; L127-V189 HydrophobicContact CD2-CG2 3.84Å; L133-V189 HydrophobicContact CB-CG2 4.04Å; L133-V189 HydrophobicContact CD1-CG2 4.1Å; L184-V189 WeakPolarHBondContact O-CG2 3.24Å; G186-V189 PolarHBondContact O-N 2.83Å; G186-V189 VanDerWaalsContact O-N 3.14Å; L187-V189 PolarHBondContact O-N 2.72Å; V189-R193 WeakPolarHBondContact O-CB 3.14Å; V189-R193 VanDerWaalsContact O-CG 3.31Å; V189-R193 WeakPolarHBondContact O-CG 3.49Å; V189-R193 PolarHBondContact O-N 3.02Å
190	E	97.9	Very high	97	Very high	119 Å²	119	57 Å²	57	56%	0.556	27%	0.268	S	S	*	.	H	α-helix	trans	-61.5	-46.6	179.6	-71.9	177.7	179.4	0	0	112.2	G186 L187 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3.11Å; G186-E190 PolarHBondContact O-N 3.13Å; L187-E190 PolarHBondContact O-N 2.85Å; C188-E190 PolarHBondContact O-N 3.31Å; E190-R194 PolarHBondContact O-N 2.87Å
191	W	97.9	Very high	96.6	Very high	42 Å²	42	64 Å²	64	16%	0.159	30%	0.3	C	S	.	.	H	α-helix	trans	-67.2	-44	178.7	-81.9	106.4	0	0	0	112	M29 Y83 L187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.04Å; M29-W191 HydrophobicContact SD-CB 4.37Å; Y83-W191 AromaticContact CD2-CH2 3.56Å; Y83-W191 HydrophobicContact CD2-CH2 3.56Å; Y83-W191 HydrophobicContact CD2-CZ2 4.28Å; Y83-W191 AromaticContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CE2-CE3 4.23Å; Y83-W191 AromaticContact CE2-CH2 3.86Å; Y83-W191 HydrophobicContact CE2-CH2 3.86Å; Y83-W191 HydrophobicContact CE2-CZ2 4.48Å; Y83-W191 AromaticContact CE2-CZ3 3.7Å; Y83-W191 HydrophobicContact CE2-CZ3 3.7Å; L187-W191 WeakPolarHBondContact O-CB 3.17Å; L187-W191 PolarHBondContact O-N 2.8Å; C188-W191 PolarHBondContact O-N 3.11Å; W191-R193 VanDerWaalsContact C-N 3.35Å; W191-R193 PolarHBondContact O-N 2.74Å; W191-R194 WeakPolarHBondContact O-CB 3.46Å; W191-R194 PolarHBondContact O-N 2.91Å; W191-R194 VanDerWaalsContact O-N 3.12Å; W191-Y195 HydrophobicContact CB-CE2 3.95Å; W191-Y195 HydrophobicContact CE3-CD1 4.49Å; W191-Y195 AromaticContact CE3-CE1 3.6Å; W191-Y195 HydrophobicContact CE3-CE1 3.6Å; W191-Y195 HydrophobicContact CE3-CE2 4.21Å; W191-Y195 AromaticContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-OH 3.22Å; W191-Y195 AromaticContact CZ3-CE1 4Å; W191-Y195 HydrophobicContact CZ3-CE1 4Å; W191-Y195 VanDerWaalsContact O-CD2 3.23Å; W191-Y195 WeakPolarHBondContact O-CD2 3.21Å; W191-Y195 VanDerWaalsContact O-CG 3.26Å; W191-Y195 PolarHBondContact O-N 2.85Å
192	L	98.1	Very high	96.2	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-59.9	-44.9	177.1	175.4	50.2	0	0	0	111.3	H27 M29 V52 L127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.48Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.95Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.34Å; M29-L192 HydrophobicContact SD-CB 4.46Å; V52-L192 HydrophobicContact CG1-CD1 3.58Å; V52-L192 HydrophobicContact CG2-CD1 4.23Å; L127-L192 HydrophobicContact CD1-CB 4.23Å; L127-L192 HydrophobicContact CD1-CD2 3.67Å; L127-L192 HydrophobicContact CD1-CG 3.73Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.22Å; C188-L192 WeakPolarHBondContact O-CB 3.38Å; C188-L192 PolarHBondContact O-N 3.15Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 3.18Å; L192-Y195 PolarHBondContact O-N 3.04Å; L192-L196 HydrophobicContact CD1-CD1 3.81Å; L192-L196 HydrophobicContact CD1-CD2 4.38Å; L192-L196 HydrophobicContact CD1-CG 3.81Å; L192-L196 HydrophobicContact CG-CD1 4Å; L192-L196 HydrophobicContact CG-CG 4.46Å; L192-L196 WeakPolarHBondContact O-CB 3.38Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.29Å; L192-L196 PolarHBondContact O-N 3.44Å
193	R	96.6	Very high	95.9	Very high	122 Å²	122	59.7 Å²	59.7	46%	0.46	28%	0.275	S	S	.	.	H	α-helix	trans	-59.7	-40.6	174.1	-72.9	174.5	-178.7	165.9	-1.2	112.7	L127 G131 V189 W191 K197	L127-R193 HydrophobicContact CD1-CG 3.95Å; G131-R193 VanDerWaalsContact O-CZ 3.24Å; G131-R193 PolarHBondContact O-NE 3.08Å; G131-R193 PolarHBondContact O-NH2 2.74Å; V189-R193 WeakPolarHBondContact O-CB 3.14Å; V189-R193 VanDerWaalsContact O-CG 3.31Å; V189-R193 WeakPolarHBondContact O-CG 3.49Å; V189-R193 PolarHBondContact O-N 3.02Å; W191-R193 VanDerWaalsContact C-N 3.35Å; W191-R193 PolarHBondContact O-N 2.74Å; R193-K197 WeakPolarHBondContact O-CB 3.32Å; R193-K197 PolarHBondContact O-N 3.14Å
194	R	96.7	Very high	95.4	Very high	117 Å²	117	61.8 Å²	61.8	44%	0.442	29%	0.286	S	S	.	.	H	α-helix	trans	-63.3	-45.5	175.9	178.1	177.2	175.4	129.1	-2.1	111.2	E79 E190 W191 L192 K197 N198	E79-R194 IonicContact OE1-CZ 2.89Å; E79-R194 IonicContact OE1-NE 2.65Å; E79-R194 PolarHBondContact OE1-NE 2.95Å; E79-R194 IonicContact OE1-NH2 3.38Å; E79-R194 PolarHBondContact OE1-NH2 2.65Å; E79-R194 IonicContact OE2-CZ 3.27Å; E79-R194 IonicContact OE2-NE 3.89Å; E79-R194 IonicContact OE2-NH2 3.37Å; E79-R194 PolarHBondContact OE2-NH2 3.39Å; E190-R194 PolarHBondContact O-N 2.87Å; W191-R194 WeakPolarHBondContact O-CB 3.46Å; W191-R194 PolarHBondContact O-N 2.91Å; W191-R194 VanDerWaalsContact O-N 3.12Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 3.18Å; R194-K197 WeakPolarHBondContact O-CB 3.48Å; R194-K197 PolarHBondContact O-N 3.29Å; R194-N198 WeakPolarHBondContact O-CB 3.49Å; R194-N198 PolarHBondContact O-N 3.02Å; R194-N198 PolarHBondContact O-OD1 3.4Å
195	Y	97.2	Very high	95.1	Very high	1 Å²	1	65.7 Å²	65.7	0%	0.004	30%	0.301	C	S	.	.	H	α-helix	trans	-66.1	-42.2	178.8	-61.1	-34.9	0	0	0	112.4	M29 V52 F57 W75 V76 Y83 W191 L192 K197 N198 G199	M29-Y195 HydrophobicContact SD-CD2 3.75Å; M29-Y195 HydrophobicContact SD-CE2 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å; V52-Y195 HydrophobicContact CG2-CD2 3.97Å; V52-Y195 HydrophobicContact CG2-CG 4.44Å; F57-Y195 AromaticContact CE2-CE2 3.91Å; F57-Y195 HydrophobicContact CE2-CE2 3.91Å; F57-Y195 HydrophobicContact CZ-CD2 4.48Å; F57-Y195 AromaticContact CZ-CE2 3.92Å; F57-Y195 HydrophobicContact CZ-CE2 3.92Å; W75-Y195 HydrophobicContact CE3-CD1 4.23Å; W75-Y195 HydrophobicContact CE3-CG 4.48Å; W75-Y195 HydrophobicContact CH2-CG 4.18Å; W75-Y195 AromaticContact CZ3-CD1 3.59Å; W75-Y195 HydrophobicContact CZ3-CD1 3.59Å; W75-Y195 HydrophobicContact CZ3-CD2 4.36Å; W75-Y195 HydrophobicContact CZ3-CE1 4.33Å; W75-Y195 AromaticContact CZ3-CG 3.61Å; W75-Y195 HydrophobicContact CZ3-CG 3.61Å; V76-Y195 HydrophobicContact CG2-CE1 4.34Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.28Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.37Å; Y83-Y195 PolarHBondContact OH-OH 3.47Å; W191-Y195 HydrophobicContact CB-CE2 3.95Å; W191-Y195 HydrophobicContact CE3-CD1 4.49Å; W191-Y195 AromaticContact CE3-CE1 3.6Å; W191-Y195 HydrophobicContact CE3-CE1 3.6Å; W191-Y195 HydrophobicContact CE3-CE2 4.21Å; W191-Y195 AromaticContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-OH 3.22Å; W191-Y195 AromaticContact CZ3-CE1 4Å; W191-Y195 HydrophobicContact CZ3-CE1 4Å; W191-Y195 VanDerWaalsContact O-CD2 3.23Å; W191-Y195 WeakPolarHBondContact O-CD2 3.21Å; W191-Y195 VanDerWaalsContact O-CG 3.26Å; W191-Y195 PolarHBondContact O-N 2.85Å; L192-Y195 PolarHBondContact O-N 3.04Å; Y195-K197 VanDerWaalsContact C-N 3.26Å; Y195-K197 PolarHBondContact O-N 2.84Å; Y195-N198 PolarHBondContact O-N 3.15Å; Y195-G199 PolarHBondContact O-N 3.2Å
196	L	95.7	Very high	94.8	Very high	13 Å²	13	63.4 Å²	63.4	7%	0.068	30%	0.298	C	S	.	.	H	α-helix	trans	-60.6	-36.7	173.8	-70.8	170.3	0	0	0	112.2	H27 V52 L192 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.7Å; H27-L196 HydrophobicContact CB-CD2 4.04Å; H27-L196 HydrophobicContact CB-CG 4.45Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.3Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; L192-L196 HydrophobicContact CD1-CD1 3.81Å; L192-L196 HydrophobicContact CD1-CD2 4.38Å; L192-L196 HydrophobicContact CD1-CG 3.81Å; L192-L196 HydrophobicContact CG-CD1 4Å; L192-L196 HydrophobicContact CG-CG 4.46Å; L192-L196 WeakPolarHBondContact O-CB 3.38Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.29Å; L192-L196 PolarHBondContact O-N 3.44Å; L196-K200 VanDerWaalsContact O-CA 3.3Å; L196-K200 WeakPolarHBondContact O-CA 3.34Å; L196-K200 PolarHBondContact O-N 2.81Å; L196-L203 HydrophobicContact CD2-CB 4.11Å; L196-L203 HydrophobicContact CD2-CD1 4.3Å; L196-Q204 PolarHBondContact O-NE2 2.94Å
197	K	95.3	Very high	94.6	Very high	169 Å²	169	65.5 Å²	65.5	74%	0.735	30%	0.301	S	S	*	.	H	α-helix	trans	-68.2	-44.6	173.9	-178.2	178.5	178.5	-177.7	0	111.9	R193 R194 Y195	R193-K197 WeakPolarHBondContact O-CB 3.32Å; R193-K197 PolarHBondContact O-N 3.14Å; R194-K197 WeakPolarHBondContact O-CB 3.48Å; R194-K197 PolarHBondContact O-N 3.29Å; Y195-K197 VanDerWaalsContact C-N 3.26Å; Y195-K197 PolarHBondContact O-N 2.84Å
198	N	95.6	Very high	94.5	Very high	46 Å²	46	65.9 Å²	65.9	25%	0.246	30%	0.301	C	S	.	.	H	α-helix	trans	-69.2	-42.9	-177.8	-68.6	-5.6	0	0	0	112	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.4Å; Q78-N198 VanDerWaalsContact NE2-CB 3.31Å; Q78-N198 PolarHBondContact NE2-ND2 3.44Å; Q78-N198 PolarHBondContact NE2-OD1 3.03Å; E79-N198 PolarHBondContact OE1-ND2 2.72Å; R194-N198 WeakPolarHBondContact O-CB 3.49Å; R194-N198 PolarHBondContact O-N 3.02Å; R194-N198 PolarHBondContact O-OD1 3.4Å; Y195-N198 PolarHBondContact O-N 3.15Å
199	G	94.9	Very high	94.5	Very high	3 Å²	3	66.3 Å²	66.3	3%	0.031	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	26.4	-177.7	0	0	0	0	0	113.6	W75 Y195 E201 T202 L203	W75-G199 VanDerWaalsContact CB-CA 3.5Å; Y195-G199 PolarHBondContact O-N 3.2Å; G199-E201 PolarHBondContact O-N 2.8Å; G199-E201 VanDerWaalsContact O-N 3.17Å; G199-T202 PolarHBondContact O-N 2.77Å; G199-T202 PolarHBondContact O-OG1 2.84Å; G199-L203 WeakPolarHBondContact O-CB 3.23Å; G199-L203 PolarHBondContact O-N 2.87Å
200	K	92.4	Very high	94.5	Very high	133 Å²	133	73.4 Å²	73.4	58%	0.578	33%	0.334	S	S	*	.	H	α-helix	trans	-50.8	-44	-173.8	-177.5	178.2	179.1	-176.4	0	112.8	L196 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.3Å; L196-K200 WeakPolarHBondContact O-CA 3.34Å; L196-K200 PolarHBondContact O-N 2.81Å; K200-T202 VanDerWaalsContact C-N 3.26Å; K200-T202 PolarHBondContact O-N 2.84Å; K200-Q204 WeakPolarHBondContact O-CB 3.4Å; K200-Q204 PolarHBondContact O-N 2.82Å
201	E	89.4	Confident	94.5	Very high	180 Å²	180	69.5 Å²	69.5	84%	0.841	32%	0.318	S	S	*	.	H	α-helix	trans	-66.2	-26.6	-178.1	-62.7	-178.6	170.4	0	0	113.3	G199	G199-E201 PolarHBondContact O-N 2.8Å; G199-E201 VanDerWaalsContact O-N 3.17Å
202	T	89.7	Confident	94.4	Very high	45 Å²	45	71.3 Å²	71.3	28%	0.276	33%	0.328	S	S	.	.	H	α-helix	trans	-103.8	-33.8	-177	51.4	0	0	0	0	114	G199 K200 R205	G199-T202 PolarHBondContact O-N 2.77Å; G199-T202 PolarHBondContact O-OG1 2.84Å; K200-T202 VanDerWaalsContact C-N 3.26Å; K200-T202 PolarHBondContact O-N 2.84Å; T202-R205 WeakPolarHBondContact O-CG 3.3Å; T202-R205 PolarHBondContact O-NE 2.89Å; T202-R205 VanDerWaalsContact O-NE 3.14Å
203	L	91.1	Very high	94.4	Very high	4 Å²	4	72.4 Å²	72.4	2%	0.021	34%	0.335	C	S	.	.	H	α-helix	trans	-94.1	-29.3	-172.8	-63.7	172.2	0	0	0	112.4	V52 T55 W75 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.28Å; V52-L203 HydrophobicContact CB-CD2 4.14Å; V52-L203 HydrophobicContact CG1-CD1 3.87Å; V52-L203 HydrophobicContact CG1-CD2 4.05Å; V52-L203 HydrophobicContact CG1-CG 4.48Å; T55-L203 HydrophobicContact CG2-CD2 4.12Å; W75-L203 HydrophobicContact CD2-CD1 4.39Å; W75-L203 HydrophobicContact CH2-CD1 4.37Å; W75-L203 HydrophobicContact CZ2-CD1 3.85Å; W75-L203 HydrophobicContact CZ2-CD2 4.11Å; W75-L203 HydrophobicContact CZ2-CG 4.39Å; L196-L203 HydrophobicContact CD2-CB 4.11Å; L196-L203 HydrophobicContact CD2-CD1 4.3Å; G199-L203 WeakPolarHBondContact O-CB 3.23Å; G199-L203 PolarHBondContact O-N 2.87Å
204	Q	88.7	Confident	94.4	Very high	96 Å²	96	68.2 Å²	68.2	45%	0.449	32%	0.323	S	S	.	.	S	Bend	trans	-103.4	23.2	177.6	-58.1	178.6	17.4	0	0	111.8	L196 K200	L196-Q204 PolarHBondContact O-NE2 2.94Å; K200-Q204 WeakPolarHBondContact O-CB 3.4Å; K200-Q204 PolarHBondContact O-N 2.82Å
205	R	90	Very high	94.4	Very high	84 Å²	84	65.1 Å²	65.1	32%	0.317	31%	0.313	S	S	.	.			trans	-94	147.9	169.9	75.2	-172.5	170.2	163.7	5.7	108.9	T202 E207 Y233	T202-R205 WeakPolarHBondContact O-CG 3.3Å; T202-R205 PolarHBondContact O-NE 2.89Å; T202-R205 VanDerWaalsContact O-NE 3.14Å; R205-E207 IonicContact CZ-OE1 3.06Å; R205-E207 IonicContact NE-OE1 3.55Å; R205-E207 PolarHBondContact NE-OE1 2.77Å; R205-E207 IonicContact NH1-OE1 2.59Å; R205-E207 PolarHBondContact NH1-OE1 2.74Å; R205-E207 IonicContact NH2-OE1 3.13Å; R205-Y233 HydrophobicContact CG-CD1 4.13Å; R205-Y233 HydrophobicContact CG-CE1 4.49Å; R205-Y233 WeakPolarHBondContact O-CD1 3.26Å
206	A	92.1	Very high	94.3	Very high	42 Å²	42	68.8 Å²	68.8	35%	0.347	33%	0.33	S	S	.	.			trans	-120.2	121.9	163.7	0	0	0	0	0	108	Y233	A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 WeakPolarHBondContact CA-O 3.42Å
207	E	94.1	Very high	94.2	Very high	65 Å²	65	73 Å²	73	30%	0.304	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-99.6	119.9	174.4	-66.8	-172.1	-153.5	0	0	108.4	R205 F232 Y233 T264 H287	R205-E207 IonicContact CZ-OE1 3.06Å; R205-E207 IonicContact NE-OE1 3.55Å; R205-E207 PolarHBondContact NE-OE1 2.77Å; R205-E207 IonicContact NH1-OE1 2.59Å; R205-E207 PolarHBondContact NH1-OE1 2.74Å; R205-E207 IonicContact NH2-OE1 3.13Å; E207-F232 WeakPolarHBondContact O-CA 3.39Å; E207-F232 WeakPolarHBondContact O-CB 3.27Å; E207-Y233 PolarHBondContact N-O 2.86Å; E207-Y233 PolarHBondContact O-N 3.13Å; E207-T264 WeakPolarHBondContact OE2-CG2 3.35Å; E207-H287 PolarHBondContact O-CE1 3.07Å; E207-H287 VanDerWaalsContact O-CE1 3.28Å
208	H	95	Very high	94	Very high	95 Å²	95	69.3 Å²	69.3	44%	0.44	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-69.6	145.3	-178	-56.6	-103.5	0	0	0	111.7	K210 G289 L290	H208-K210 PolarHBondContact O-N 2.59Å; H208-G289 PolarHBondContact CE1-O 3.4Å; H208-G289 PolarHBondContact ND1-O 2.97Å; H208-L290 HydrophobicContact CB-CD2 4.17Å; H208-L290 WeakPolarHBondContact ND1-CA 3.34Å; H208-L290 PolarHBondContact ND1-N 2.9Å
209	P	97.6	Very high	93.8	Very high	9 Å²	9	69.6 Å²	69.6	6%	0.058	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-67.3	130.7	175.9	28.5	-34.8	0	0	0	111.5	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.89Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 3.1Å; P209-A229 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.93Å; P209-F232 HydrophobicContact CB-CG 4.18Å; P209-I237 HydrophobicContact CB-CD1 3.97Å; P209-I237 HydrophobicContact CG-CD1 4.09Å; P209-V285 HydrophobicContact CG-CG1 3.97Å; P209-H287 HydrophobicContact CG-CB 4.13Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CG 4.25Å
210	K	97.8	Very high	93.5	Very high	157 Å²	157	76.6 Å²	76.6	68%	0.683	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	113	163.1	-64.9	171.7	-172.5	165.6	0	107.8	H208 L230	H208-K210 PolarHBondContact O-N 2.59Å; K210-L230 PolarHBondContact N-O 3.22Å; K210-L230 PolarHBondContact O-N 3.47Å
211	T	97.8	Very high	93.5	Very high	36 Å²	36	77 Å²	77	22%	0.221	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	146.4	-171.4	57.6	0	0	0	0	112.7	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.89Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 3.1Å; T211-W228 WeakPolarHBondContact CA-O 3.49Å; T211-W228 WeakPolarHBondContact CB-O 3.32Å; T211-A229 HydrophobicContact CG2-CB 4.24Å; T211-V285 HydrophobicContact CG2-CB 4.48Å; T211-V285 HydrophobicContact CG2-CG1 4.18Å; T211-V285 HydrophobicContact CG2-CG2 4.1Å; T211-L294 HydrophobicContact CG2-CD1 4.41Å; T211-L296 VanDerWaalsContact CB-CD1 3.43Å; T211-L296 HydrophobicContact CG2-CD1 4.16Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.13Å
212	H	97.1	Very high	93.8	Very high	80 Å²	80	73 Å²	73	37%	0.37	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	160.5	173.1	62.3	-76.4	0	0	0	110.1	W228	H212-W228 AromaticContact CD2-CD1 4Å; H212-W228 VanDerWaalsContact CE1-CB 3.43Å; H212-W228 WeakPolarHBondContact CE1-CB 3.43Å; H212-W228 AromaticContact CE1-CD1 4Å; H212-W228 AromaticContact CE1-CG 3.72Å; H212-W228 PolarHBondContact N-O 3.44Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.71Å; H212-W228 PolarHBondContact O-N 3.17Å
213	V	98.1	Very high	94.1	Very high	23 Å²	23	70.9 Å²	70.9	14%	0.139	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124.7	176.3	-179.7	0	0	0	0	109.3	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.33Å; V213-L225 HydrophobicContact CG1-CD2 4.37Å; V213-R226 CarbonylContact C-O 3.53Å; V213-R226 WeakPolarHBondContact CA-O 3.39Å; V213-C227 HydrophobicContact CG2-CB 4.45Å; V213-W241 HydrophobicContact CG1-CH2 3.85Å; V213-W241 HydrophobicContact CG1-CZ2 4.28Å; V213-W241 HydrophobicContact CG2-CH2 4.26Å; V213-L296 HydrophobicContact CG2-CB 3.93Å; V213-W298 HydrophobicContact CB-CB 4.47Å; V213-W298 HydrophobicContact CG1-CB 3.85Å
214	T	96.8	Very high	94.4	Very high	34 Å²	34	71.7 Å²	71.7	21%	0.209	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	148	172	63.2	0	0	0	0	110.7	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-NE2 2.89Å; T214-L225 WeakPolarHBondContact O-CA 3.49Å; T214-R226 PolarHBondContact N-O 3.34Å; T214-R226 PolarHBondContact O-N 2.8Å; T214-W228 PolarHBondContact OG1-NE1 2.99Å
215	H	95.9	Very high	94.8	Very high	53 Å²	53	67.1 Å²	67.1	25%	0.245	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.7	178.6	169.8	-94	0	0	0	109.6	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.39Å; H215-L225 HydrophobicContact CB-CD2 3.98Å; H215-E278 IonicContact NE2-OE1 3.04Å; H215-W298 HydrophobicContact CB-CD2 4.11Å; H215-W298 HydrophobicContact CB-CG 4.17Å; H215-W298 HydrophobicContact CB-CZ2 4.02Å; H215-W298 VanDerWaalsContact CB-NE1 3.28Å; H215-W298 AromaticContact CG-CE2 3.81Å; H215-W298 AromaticContact CG-CZ2 3.83Å; H215-W298 AromaticContact ND1-CZ2 3.99Å
216	H	94.8	Very high	95.2	Very high	78 Å²	78	65.7 Å²	65.7	36%	0.361	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	103.6	-178.7	-57.3	-68.5	0	0	0	109.4	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-NE2 2.89Å; H216-V218 PolarHBondContact O-N 3.06Å; H216-A223 CarbonylContact O-C 3.45Å; H216-A223 WeakPolarHBondContact O-CA 3.48Å; H216-T224 PolarHBondContact N-O 3Å; H216-T224 PolarHBondContact O-N 2.79Å; H216-R226 PolarHBondContact CD2-NH1 3.43Å; H216-R226 PolarHBondContact NE2-NH1 2.97Å
217	P	93.7	Very high	95.5	Very high	100 Å²	100	63.7 Å²	63.7	65%	0.649	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	131.5	173.9	-19.8	30.1	0	0	0	110.7
218	V	91.3	Very high	95.7	Very high	92 Å²	92	62.9 Å²	62.9	56%	0.558	32%	0.32	S	S	*	.			trans	-105.1	-41.8	176.4	-179.3	0	0	0	0	110	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.06Å; V218-E222 PolarHBondContact N-O 3.01Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.36Å
219	S	92	Very high	95.9	Very high	52 Å²	52	58.4 Å²	58.4	36%	0.364	30%	0.3	S	S	.	.	S	Bend	trans	-147.3	-177.5	175.5	72.7	0	0	0	0	110.6	H221 E222	S219-H221 PolarHBondContact O-N 3.18Å; S219-H221 PolarHBondContact OG-N 3.23Å; S219-E222 PolarHBondContact N-O 3.01Å; S219-E222 VanDerWaalsContact O-O 3.12Å; S219-E222 PolarHBondContact OG-N 3.42Å
220	D	89.2	Confident	95.9	Very high	151 Å²	151	60.6 Å²	60.6	81%	0.807	31%	0.31	S	S	*	.	S	Bend	trans	-67.2	-10.1	172.8	-65.5	-22.2	0	0	0	113.3
221	H	92.3	Very high	95.9	Very high	142 Å²	142	54 Å²	54	66%	0.657	29%	0.287	S	S	*	.	S	Bend	trans	-117	-15.7	-175.3	-55.1	-44.8	0	0	0	113.3	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.18Å; S219-H221 PolarHBondContact OG-N 3.23Å; H221-P274 WeakPolarHBondContact O-CA 3.45Å; H221-S275 PolarHBondContact O-N 2.61Å; H221-S275 PolarHBondContact O-OG 2.81Å
222	E	94.9	Very high	95.8	Very high	94 Å²	94	52.2 Å²	52.2	44%	0.439	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	144.4	-170.8	-67.1	179.2	170.4	0	0	111.9	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 3.01Å; S219-E222 PolarHBondContact N-O 3.01Å; S219-E222 VanDerWaalsContact O-O 3.12Å; S219-E222 PolarHBondContact OG-N 3.42Å; E222-V272 HydrophobicContact CB-CG1 4.14Å; E222-V272 HydrophobicContact CG-CG1 4.34Å; E222-V273 WeakPolarHBondContact CA-O 3.4Å; E222-S275 PolarHBondContact N-OG 2.81Å
223	A	95.6	Very high	95.8	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.008	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	157.6	170.9	0	0	0	0	0	110.7	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.39Å; H216-A223 CarbonylContact O-C 3.45Å; H216-A223 WeakPolarHBondContact O-CA 3.48Å; A223-V272 WeakPolarHBondContact O-CA 3.39Å; A223-V273 HydrophobicContact CB-CG2 4.43Å; A223-V273 PolarHBondContact N-O 3Å; A223-V273 WeakPolarHBondContact O-CG2 3.36Å; A223-V273 PolarHBondContact O-N 3.48Å
224	T	97.1	Very high	95.6	Very high	22 Å²	22	48.4 Å²	48.4	14%	0.135	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	123.4	169.8	-54.7	0	0	0	0	109.4	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 3Å; H216-T224 PolarHBondContact O-N 2.79Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.36Å; T224-A270 HydrophobicContact CG2-CB 3.93Å; T224-V271 WeakPolarHBondContact CA-O 3.06Å
225	L	97.8	Very high	95.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	130.1	164.8	-63.3	-177	0	0	0	108.9	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.33Å; V213-L225 HydrophobicContact CG1-CD2 4.37Å; T214-L225 WeakPolarHBondContact O-CA 3.49Å; H215-L225 HydrophobicContact CB-CD2 3.98Å; L225-W241 HydrophobicContact CB-CH2 3.7Å; L225-W241 HydrophobicContact CB-CZ2 3.79Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.21Å; L225-A270 CarbonylContact O-C 3.51Å; L225-A270 WeakPolarHBondContact O-CA 3.34Å; L225-V271 HydrophobicContact CB-CG2 4.19Å; L225-V271 PolarHBondContact N-O 2.89Å; L225-V271 PolarHBondContact O-N 3.28Å; L225-V273 HydrophobicContact CD1-CG1 4.04Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.19Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; L225-E278 HydrophobicContact CD1-CB 4.14Å; L225-E278 HydrophobicContact CD2-CG 4.41Å; L225-W298 HydrophobicContact CD1-CB 4.44Å; L225-W298 HydrophobicContact CD2-CB 3.86Å; L225-W298 HydrophobicContact CD2-CD2 4.39Å; L225-W298 HydrophobicContact CD2-CG 3.97Å
226	R	98.2	Very high	95.6	Very high	53 Å²	53	49.3 Å²	49.3	20%	0.2	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	117.7	176.2	-176.2	179.1	-66.5	118.6	0.1	110.3	V213 T214 H216 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.53Å; V213-R226 WeakPolarHBondContact CA-O 3.39Å; T214-R226 PolarHBondContact N-O 3.34Å; T214-R226 PolarHBondContact O-N 2.8Å; H216-R226 PolarHBondContact CD2-NH1 3.43Å; H216-R226 PolarHBondContact NE2-NH1 2.97Å; R226-W228 HydrophobicContact CG-CZ2 4.4Å; R226-W268 HydrophobicContact CG-CB 3.99Å; R226-W268 HydrophobicContact CG-CD2 4.1Å; R226-W268 HydrophobicContact CG-CE3 3.87Å; R226-W268 HydrophobicContact CG-CG 4.2Å; R226-A269 WeakPolarHBondContact CA-O 3.18Å; R226-A270 HydrophobicContact CB-CB 4.1Å; R226-A270 HydrophobicContact CG-CB 4.17Å
227	C	98.3	Very high	95.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	121.6	174.7	-173.8	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.45Å; C227-W241 HydrophobicContact CB-CH2 4.49Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; C227-W268 CarbonylContact O-C 3.58Å; C227-W268 WeakPolarHBondContact O-CA 3.46Å; C227-W268 WeakPolarHBondContact O-CB 3.45Å; C227-A269 PolarHBondContact N-O 3.15Å; C227-A269 PolarHBondContact O-N 3.24Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.12Å; C227-C283 WeakPolarHBondContact SG-CB 3.06Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.17Å
228	W	98.4	Very high	95.8	Very high	49 Å²	49	43.9 Å²	43.9	19%	0.186	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	141.6	179.7	-69.9	89.2	0	0	0	110.7	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.49Å; T211-W228 WeakPolarHBondContact CB-O 3.32Å; H212-W228 AromaticContact CD2-CD1 4Å; H212-W228 VanDerWaalsContact CE1-CB 3.43Å; H212-W228 WeakPolarHBondContact CE1-CB 3.43Å; H212-W228 AromaticContact CE1-CD1 4Å; H212-W228 AromaticContact CE1-CG 3.72Å; H212-W228 PolarHBondContact N-O 3.44Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.71Å; H212-W228 PolarHBondContact O-N 3.17Å; T214-W228 PolarHBondContact OG1-NE1 2.99Å; R226-W228 HydrophobicContact CG-CZ2 4.4Å; W228-L230 HydrophobicContact CE3-CD2 3.88Å; W228-L230 HydrophobicContact CZ3-CD2 4.43Å; W228-W268 HydrophobicContact CD2-CB 3.95Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.88Å; W228-W268 HydrophobicContact CE3-CG 4.18Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.64Å; W228-W268 HydrophobicContact CH2-CG 4.26Å; W228-W268 HydrophobicContact CZ3-CB 4.29Å; W228-W268 AromaticContact CZ3-CD1 3.41Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.41Å; W228-W268 HydrophobicContact CZ3-CG 4.09Å
229	A	98.4	Very high	96.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.2	162.9	0	0	0	0	0	108	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.88Å; T211-A229 HydrophobicContact CG2-CB 4.24Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.83Å; A229-F232 WeakPolarHBondContact O-CE1 3.41Å; A229-I237 HydrophobicContact CB-CD1 3.65Å; A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.19Å; A229-Q266 CarbonylContact O-C 3.55Å; A229-Q266 VanDerWaalsContact O-CA 3.28Å; A229-Q266 WeakPolarHBondContact O-CA 3.37Å; A229-K267 PolarHBondContact N-O 2.04Å; A229-K267 PolarHBondContact O-N 3.26Å; A229-K267 VanDerWaalsContact O-O 3.09Å
230	L	98.2	Very high	96.3	Very high	55 Å²	55	39.1 Å²	39.1	29%	0.288	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	147.4	-174.4	-57.9	177.4	0	0	0	111	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 3.22Å; K210-L230 PolarHBondContact O-N 3.47Å; W228-L230 HydrophobicContact CE3-CD2 3.88Å; W228-L230 HydrophobicContact CZ3-CD2 4.43Å; L230-F232 PolarHBondContact O-N 3.23Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å
231	G	97.3	Very high	96.7	Very high	18 Å²	18	32 Å²	32	19%	0.186	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.7	34.4	168.2	0	0	0	0	0	113.8	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.36Å; G231-F265 PolarHBondContact N-O 3.15Å
232	F	97.1	Very high	97	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	155	179.3	59.4	-90.6	0	0	0	112.5	E207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.39Å; E207-F232 WeakPolarHBondContact O-CB 3.27Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.93Å; P209-F232 HydrophobicContact CB-CG 4.18Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.83Å; A229-F232 WeakPolarHBondContact O-CE1 3.41Å; L230-F232 PolarHBondContact O-N 3.23Å; F232-P234 WeakPolarHBondContact CD2-O 3.31Å; F232-I237 HydrophobicContact CD1-CD1 3.85Å; F232-I237 HydrophobicContact CD2-CB 4.25Å; F232-I237 HydrophobicContact CD2-CD1 4.01Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.36Å; F232-I237 HydrophobicContact CE2-CB 3.73Å; F232-I237 HydrophobicContact CE2-CD1 3.97Å; F232-I237 HydrophobicContact CE2-CG1 4.44Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.08Å; F232-I237 HydrophobicContact CZ-CD1 3.88Å; F232-I237 HydrophobicContact CZ-CG2 3.49Å; F232-I237 VanDerWaalsContact CZ-CG2 3.49Å; F232-T257 HydrophobicContact CE2-CG2 4.06Å; F232-T257 HydrophobicContact CZ-CG2 3.88Å; F232-T264 CarbonylContact O-C 3.56Å; F232-T264 WeakPolarHBondContact O-CA 3.19Å; F232-F265 WeakPolarHBondContact CD1-O 3.22Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; F232-F265 WeakPolarHBondContact CE1-O 3.36Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.67Å; F232-F265 PolarHBondContact N-O 3.36Å; F232-F265 PolarHBondContact O-N 3Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; F232-H287 AromaticContact CD2-CD2 3.82Å; F232-H287 AromaticContact CD2-NE2 3.68Å
233	Y	95.5	Very high	97	Very high	3 Å²	3	26.3 Å²	26.3	1%	0.012	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-151.2	135.5	173.3	178.5	-84	0	0	0	108.8	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.07Å; T55-Y233 PolarHBondContact OG1-OH 3.47Å; R205-Y233 HydrophobicContact CG-CD1 4.13Å; R205-Y233 HydrophobicContact CG-CE1 4.49Å; R205-Y233 WeakPolarHBondContact O-CD1 3.26Å; A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 WeakPolarHBondContact CA-O 3.42Å; E207-Y233 PolarHBondContact N-O 2.86Å; E207-Y233 PolarHBondContact O-N 3.13Å; Y233-G263 WeakPolarHBondContact CD2-O 3.41Å; Y233-F265 HydrophobicContact CD2-CD2 4.45Å; Y233-F265 AromaticContact CD2-CE2 3.99Å; Y233-F265 HydrophobicContact CD2-CE2 3.99Å; Y233-F265 HydrophobicContact CE2-CE2 4.44Å; Y233-H287 PolarHBondContact O-CE1 3.41Å
234	P	95.1	Very high	96.8	Very high	19 Å²	19	31.3 Å²	31.3	12%	0.123	16%	0.161	C	C	.	.	S	Bend	cis	-71.7	178.6	3.3	30.3	-36.5	0	0	0	113.4	D54 F232 E236 H287	D54-P234 VanDerWaalsContact OD2-CB 3.26Å; D54-P234 WeakPolarHBondContact OD2-CB 3.23Å; F232-P234 WeakPolarHBondContact CD2-O 3.31Å; P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 3.09Å; P234-H287 PolarHBondContact O-NE2 3.14Å
235	A	96.1	Very high	96.4	Very high	15 Å²	15	32.6 Å²	32.6	12%	0.124	18%	0.178	C	C	.	.	S	Bend	trans	-70.3	-25	-175.2	0	0	0	0	0	113.7	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.23Å; D54-A235 VanDerWaalsContact CG-CB 3.48Å; D54-A235 WeakPolarHBondContact OD2-CB 3.26Å; D54-A235 PolarHBondContact OD2-N 2.66Å; A235-I237 PolarHBondContact O-N 2.83Å; A235-T257 HydrophobicContact CB-CG2 4.38Å; A235-T257 WeakPolarHBondContact O-CG2 3.24Å; A235-F265 HydrophobicContact CB-CD1 3.71Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.67Å; A235-F265 HydrophobicContact CB-CE2 3.66Å; A235-F265 HydrophobicContact CB-CG 3.74Å; A235-F265 HydrophobicContact CB-CZ 3.67Å
236	E	95.4	Very high	96.2	Very high	92 Å²	92	38.8 Å²	38.8	43%	0.43	21%	0.207	S	C	.	.			trans	-63.5	122.4	177.2	-171	74.1	-162.9	0	0	110.2	W23 P234 H287	W23-E236 HydrophobicContact CD2-CG 4.32Å; W23-E236 HydrophobicContact CE3-CB 4.08Å; W23-E236 HydrophobicContact CE3-CG 3.85Å; W23-E236 HydrophobicContact CH2-CB 4.13Å; W23-E236 HydrophobicContact CH2-CG 3.26Å; W23-E236 HydrophobicContact CZ2-CG 3.76Å; W23-E236 HydrophobicContact CZ3-CB 3.66Å; W23-E236 HydrophobicContact CZ3-CG 3.31Å; P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 3.09Å; E236-H287 PolarHBondContact O-CD2 3.2Å
237	I	96.1	Very high	95.9	Very high	10 Å²	10	40.9 Å²	40.9	5%	0.051	22%	0.222	C	C	.	.			trans	-153.5	143.7	176.5	-163.7	170.8	0	0	0	109.4	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 3.97Å; P209-I237 HydrophobicContact CG-CD1 4.09Å; A229-I237 HydrophobicContact CB-CD1 3.65Å; F232-I237 HydrophobicContact CD1-CD1 3.85Å; F232-I237 HydrophobicContact CD2-CB 4.25Å; F232-I237 HydrophobicContact CD2-CD1 4.01Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.36Å; F232-I237 HydrophobicContact CE2-CB 3.73Å; F232-I237 HydrophobicContact CE2-CD1 3.97Å; F232-I237 HydrophobicContact CE2-CG1 4.44Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.08Å; F232-I237 HydrophobicContact CZ-CD1 3.88Å; F232-I237 HydrophobicContact CZ-CG2 3.49Å; F232-I237 VanDerWaalsContact CZ-CG2 3.49Å; A235-I237 PolarHBondContact O-N 2.83Å; I237-L239 HydrophobicContact CB-CD1 4.43Å; I237-L239 HydrophobicContact CD1-CD1 3.67Å; I237-L239 HydrophobicContact CG1-CD1 3.64Å; I237-L239 HydrophobicContact CG2-CD1 4.03Å; I237-K267 HydrophobicContact CG2-CB 4.18Å; I237-K267 HydrophobicContact CG2-CD 3.56Å; I237-V285 HydrophobicContact CD1-CG1 3.94Å; I237-V285 HydrophobicContact CG1-CG1 4.27Å; I237-Q286 VanDerWaalsContact CG1-O 3.28Å; I237-Q286 WeakPolarHBondContact CG1-O 3.35Å; I237-H287 HydrophobicContact CD1-CB 4.33Å; I237-H287 HydrophobicContact CG1-CB 4.08Å
238	T	96.9	Very high	95.7	Very high	53 Å²	53	42.4 Å²	42.4	33%	0.325	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123.3	173.4	-62.6	0	0	0	0	110	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.05Å; T238-V285 WeakPolarHBondContact O-CA 3.41Å; T238-Q286 PolarHBondContact N-O 3.01Å; T238-Q286 PolarHBondContact O-N 3.33Å
239	L	97.6	Very high	95.1	Very high	7 Å²	7	45.1 Å²	45.1	4%	0.037	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.4	173.2	-87.2	63	0	0	0	108.4	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.19Å; I237-L239 HydrophobicContact CB-CD1 4.43Å; I237-L239 HydrophobicContact CD1-CD1 3.67Å; I237-L239 HydrophobicContact CG1-CD1 3.64Å; I237-L239 HydrophobicContact CG2-CD1 4.03Å; L239-L254 HydrophobicContact CB-CD1 4.14Å; L239-K267 HydrophobicContact CD1-CD 4.29Å; L239-K267 HydrophobicContact CD2-CB 4.39Å; L239-K267 HydrophobicContact CD2-CG 4.45Å; L239-A269 HydrophobicContact CB-CB 4.03Å; L239-A269 HydrophobicContact CD2-CB 4.29Å; L239-H284 WeakPolarHBondContact CA-O 3.46Å; L239-V285 HydrophobicContact CD1-CG1 4.09Å; L239-V285 HydrophobicContact CG-CG2 4.32Å
240	T	97.1	Very high	94.5	Very high	38 Å²	38	54.2 Å²	54.2	23%	0.233	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	143.9	178.7	48.4	0	0	0	0	110.7	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.05Å; T240-C283 CarbonylContact O-C 3.59Å; T240-C283 WeakPolarHBondContact O-CA 3.39Å; T240-H284 PolarHBondContact N-O 3.08Å; T240-H284 PolarHBondContact O-N 3.29Å; T240-H284 WeakPolarHBondContact OG1-CB 3.46Å
241	W	97.8	Very high	93.9	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.008	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	137.9	169.8	-82.8	104.6	0	0	0	109.7	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.85Å; V213-W241 HydrophobicContact CG1-CZ2 4.28Å; V213-W241 HydrophobicContact CG2-CH2 4.26Å; L225-W241 HydrophobicContact CB-CH2 3.7Å; L225-W241 HydrophobicContact CB-CZ2 3.79Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.21Å; C227-W241 HydrophobicContact CB-CH2 4.49Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; W241-Q248 HydrophobicContact CB-CB 4.32Å; W241-Q248 PolarHBondContact O-N 3.3Å; W241-A269 PolarHBondContact NE1-O 3.35Å; W241-V271 HydrophobicContact CB-CG1 3.69Å; W241-V271 HydrophobicContact CB-CG2 4.44Å; W241-V271 HydrophobicContact CD2-CG1 4.34Å; W241-V271 HydrophobicContact CD2-CG2 3.63Å; W241-V271 HydrophobicContact CE3-CG2 4.04Å; W241-V271 HydrophobicContact CG-CB 4.37Å; W241-V271 HydrophobicContact CG-CG1 3.61Å; W241-V271 HydrophobicContact CG-CG2 3.82Å; W241-V271 HydrophobicContact CZ2-CG2 4.27Å; W241-T282 WeakPolarHBondContact CA-O 3.42Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.06Å; W241-C283 HydrophobicContact CH2-CB 3.99Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 3.98Å
242	Q	97.1	Very high	93.7	Very high	41 Å²	41	57.5 Å²	57.5	19%	0.192	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	145.6	173.8	-68.7	-173.6	-8.7	0	0	110.4	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.26Å; Q242-E246 WeakPolarHBondContact CA-O 3.45Å; Q242-D247 VanDerWaalsContact CG-OD1 3.24Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.38Å; Q242-D247 PolarHBondContact NE2-OD1 3.05Å; Q242-Y281 CarbonylContact O-C 3.58Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.34Å; Q242-T282 PolarHBondContact N-O 2.84Å; Q242-T282 PolarHBondContact O-N 3.15Å; Q242-H284 PolarHBondContact OE1-NE2 2.93Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.08Å
243	W	95.1	Very high	93.7	Very high	75 Å²	75	62.9 Å²	62.9	28%	0.284	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	115	170	176.4	74.6	0	0	0	108.5	G245 E246 Q248 R280 Y281	W243-G245 PolarHBondContact O-N 2.86Å; W243-E246 PolarHBondContact N-O 2.89Å; W243-E246 PolarHBondContact O-N 2.87Å; W243-Q248 HydrophobicContact CB-CG 3.97Å; W243-R280 VanDerWaalsContact CE2-NH2 3.28Å; W243-R280 VanDerWaalsContact CZ2-NH1 3.27Å; W243-R280 VanDerWaalsContact NE1-CZ 3.28Å; W243-Y281 HydrophobicContact CB-CD1 4.24Å; W243-Y281 HydrophobicContact CB-CE1 4Å; W243-Y281 AromaticContact CD1-CE2 3.57Å; W243-Y281 AromaticContact CD1-CZ 3.58Å; W243-Y281 HydrophobicContact CG-CE1 4.29Å
244	D	92.3	Very high	93.7	Very high	105 Å²	105	67 Å²	67	56%	0.561	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	31.1	-172.7	-69.5	-22.8	0	0	0	114.5	R280	D244-R280 PolarHBondContact N-O 3.41Å; D244-R280 VanDerWaalsContact N-O 3.16Å; D244-R280 IonicContact OD1-NE 3.94Å; D244-R280 IonicContact OD2-CZ 3.99Å; D244-R280 IonicContact OD2-NE 2.74Å; D244-R280 PolarHBondContact OD2-NE 2.84Å; D244-R280 IonicContact OD2-NH2 3.68Å; D244-R280 PolarHBondContact OD2-NH2 3.13Å
245	G	88.8	Confident	93.8	Very high	49 Å²	49	67.6 Å²	67.6	51%	0.505	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	-0.1	-179.8	0	0	0	0	0	115.6	W243	W243-G245 PolarHBondContact O-N 2.86Å
246	E	93	Very high	93.8	Very high	131 Å²	131	75.1 Å²	75.1	61%	0.612	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	127	175.7	-63.3	-169.4	167.2	0	0	111.9	Q242 W243 Q248	Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.26Å; Q242-E246 WeakPolarHBondContact CA-O 3.45Å; W243-E246 PolarHBondContact N-O 2.89Å; W243-E246 PolarHBondContact O-N 2.87Å; E246-Q248 PolarHBondContact O-NE2 2.9Å
247	D	92.9	Very high	93.9	Very high	96 Å²	96	72.8 Å²	72.8	51%	0.513	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	131.6	-178.7	-69.3	-22.4	0	0	0	112.6	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.24Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.38Å; Q242-D247 PolarHBondContact NE2-OD1 3.05Å
248	Q	92.9	Very high	94	Very high	32 Å²	32	76.9 Å²	76.9	15%	0.15	40%	0.399	C	S	.	.			trans	-102.9	40.6	-177.3	-59	-59.3	-61.5	0	0	112.4	W241 W243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.32Å; W241-Q248 PolarHBondContact O-N 3.3Å; W243-Q248 HydrophobicContact CB-CG 3.97Å; E246-Q248 PolarHBondContact O-NE2 2.9Å; Q248-Q250 VanDerWaalsContact C-N 3.33Å; Q248-Q250 PolarHBondContact O-N 3.43Å; Q248-D251 PolarHBondContact O-N 3.14Å; Q248-T252 WeakPolarHBondContact O-CB 3.49Å; Q248-T252 PolarHBondContact O-N 2.8Å; Q248-T252 VanDerWaalsContact O-N 3.11Å; Q248-T252 PolarHBondContact O-OG1 3.04Å; Q248-Y281 HydrophobicContact CG-CE1 4.42Å
249	T	86.3	Confident	94	Very high	106 Å²	106	78.8 Å²	78.8	65%	0.65	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-35.8	-169.1	-45	0	0	0	0	114.2
250	Q	86.1	Confident	93.9	Very high	192 Å²	192	80.8 Å²	80.8	90%	0.897	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-31.7	-177.5	-66.7	-173.3	10	0	0	113.1	Q248	Q248-Q250 VanDerWaalsContact C-N 3.33Å; Q248-Q250 PolarHBondContact O-N 3.43Å
251	D	85.8	Confident	93.7	Very high	117 Å²	117	82.7 Å²	82.7	63%	0.626	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	0.6	-177.7	-56.8	-55.5	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 3.14Å
252	T	93.7	Very high	93.5	Very high	24 Å²	24	88 Å²	88	15%	0.147	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	120.2	178.1	-62.6	0	0	0	0	111	Q248 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 3.49Å; Q248-T252 PolarHBondContact O-N 2.8Å; Q248-T252 VanDerWaalsContact O-N 3.11Å; Q248-T252 PolarHBondContact O-OG1 3.04Å; T252-L254 HydrophobicContact CG2-CB 4.42Å; T252-L254 PolarHBondContact O-N 2.82Å; T252-A269 HydrophobicContact CG2-CB 3.9Å; T252-A270 CarbonylContact C-O 3.57Å; T252-A270 WeakPolarHBondContact CA-O 3.44Å; T252-V271 HydrophobicContact CG2-CG1 4.36Å; T252-V271 VanDerWaalsContact OG1-CG1 3.25Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.28Å
253	E	96.3	Very high	93.2	Very high	114 Å²	114	88 Å²	88	53%	0.533	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	105.6	162.9	-173.7	-174.2	-172.4	0	0	109	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.26Å; E253-W268 HydrophobicContact CG-CH2 3.94Å; E253-W268 HydrophobicContact CG-CZ3 3.87Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.33Å; E253-A269 CarbonylContact O-C 3.56Å; E253-A269 WeakPolarHBondContact O-CA 3.34Å; E253-A270 HydrophobicContact CB-CB 4.43Å; E253-A270 PolarHBondContact N-O 2.89Å; E253-A270 PolarHBondContact O-N 3.46Å
254	L	96.4	Very high	93.3	Very high	89 Å²	89	84.7 Å²	84.7	47%	0.466	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.7	178	-173.8	68.3	0	0	0	110.2	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.14Å; T252-L254 HydrophobicContact CG2-CB 4.42Å; T252-L254 PolarHBondContact O-N 2.82Å; L254-K267 HydrophobicContact CD1-CD 4.44Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
255	V	96.4	Very high	93.5	Very high	32 Å²	32	81 Å²	81	19%	0.194	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-84.2	153.3	175	-64.7	0	0	0	0	112.3	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 VanDerWaalsContact O-CE 3.28Å; V255-K267 WeakPolarHBondContact O-CE 3.4Å; V255-K267 WeakPolarHBondContact O-CG 3.15Å; V255-K267 PolarHBondContact O-NZ 3.02Å; V255-W268 HydrophobicContact CB-CD2 4.5Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.97Å; V255-W268 HydrophobicContact CG1-CE3 4.28Å; V255-W268 HydrophobicContact CG1-CH2 3.56Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.08Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.23Å; V255-W268 PolarHBondContact N-O 3.35Å
256	E	96.4	Very high	94	Very high	172 Å²	172	80.8 Å²	80.8	80%	0.804	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-57.7	147.4	167.7	-68.3	-175.9	173.4	0	0	111.2	R258	E256-R258 PolarHBondContact O-N 3.34Å
257	T	97.6	Very high	94.2	Very high	44 Å²	44	75.6 Å²	75.6	27%	0.27	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-67.8	130.3	174.7	-56.2	0	0	0	0	108.6	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.06Å; F232-T257 HydrophobicContact CZ-CG2 3.88Å; A235-T257 HydrophobicContact CB-CG2 4.38Å; A235-T257 WeakPolarHBondContact O-CG2 3.24Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.95Å; T257-F265 HydrophobicContact CG2-CG 4.15Å; T257-K267 WeakPolarHBondContact OG1-CD 3.47Å; T257-K267 PolarHBondContact OG1-NZ 2.99Å; T257-K267 VanDerWaalsContact OG1-NZ 3.17Å
258	R	97.1	Very high	94.5	Very high	96 Å²	96	72.2 Å²	72.2	36%	0.362	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	145.4	-174.9	68.4	-168.6	-178.6	-166.5	1.8	111.5	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.34Å; R258-F265 WeakPolarHBondContact O-CA 3.03Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 3.35Å; R258-Q266 WeakPolarHBondContact O-CG 3.49Å; R258-Q266 PolarHBondContact O-N 2.84Å
259	P	97	Very high	94.8	Very high	93 Å²	93	70.7 Å²	70.7	60%	0.604	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	144.8	178.2	28.5	-34.6	0	0	0	111.2	F265	P259-F265 HydrophobicContact CB-CD1 4.5Å; P259-F265 HydrophobicContact CB-CE1 4.29Å
260	A	96.4	Very high	95.3	Very high	49 Å²	49	65.9 Å²	65.9	41%	0.405	37%	0.368	S	S	.	.			trans	-87.6	-19	172.9	0	0	0	0	0	112.9	T264	A260-T264 WeakPolarHBondContact CB-O 3.38Å; A260-T264 PolarHBondContact N-O 2.82Å
261	G	92.9	Very high	95.8	Very high	77 Å²	77	56.9 Å²	56.9	79%	0.794	33%	0.326	S	S	*	.	S	Bend	trans	97.9	-8.2	178.7	0	0	0	0	0	114.9
262	D	92.4	Very high	96.4	Very high	113 Å²	113	55.2 Å²	55.2	60%	0.604	32%	0.32	S	S	*	.	S	Bend	trans	-103.4	11.2	175.8	60.5	1.1	0	0	0	113	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.05Å; D262-T264 PolarHBondContact OD1-N 3.01Å; D262-T264 PolarHBondContact OD1-OG1 2.9Å
263	G	91.4	Very high	96.5	Very high	41 Å²	41	54.1 Å²	54.1	42%	0.423	31%	0.313	S	S	.	.	S	Bend	trans	89.8	-0.7	-174	0	0	0	0	0	114.2	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.41Å
264	T	96.4	Very high	96.4	Very high	7 Å²	7	51.1 Å²	51.1	4%	0.043	30%	0.303	C	S	.	.			trans	-104.1	173.5	173.1	73.9	0	0	0	0	112.2	E207 G231 F232 A260 D262	E207-T264 WeakPolarHBondContact OE2-CG2 3.35Å; G231-T264 WeakPolarHBondContact CA-OG1 3.36Å; F232-T264 CarbonylContact O-C 3.56Å; F232-T264 WeakPolarHBondContact O-CA 3.19Å; A260-T264 WeakPolarHBondContact CB-O 3.38Å; A260-T264 PolarHBondContact N-O 2.82Å; D262-T264 WeakPolarHBondContact OD1-CB 3.05Å; D262-T264 PolarHBondContact OD1-N 3.01Å; D262-T264 PolarHBondContact OD1-OG1 2.9Å
265	F	98	Very high	96.2	Very high	27 Å²	27	49.6 Å²	49.6	12%	0.118	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	163.3	-177.1	-63.8	-87	0	0	0	112.3	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.69Å; G231-F265 PolarHBondContact N-O 3.15Å; F232-F265 WeakPolarHBondContact CD1-O 3.22Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; F232-F265 WeakPolarHBondContact CE1-O 3.36Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.67Å; F232-F265 PolarHBondContact N-O 3.36Å; F232-F265 PolarHBondContact O-N 3Å; Y233-F265 HydrophobicContact CD2-CD2 4.45Å; Y233-F265 AromaticContact CD2-CE2 3.99Å; Y233-F265 HydrophobicContact CD2-CE2 3.99Å; Y233-F265 HydrophobicContact CE2-CE2 4.44Å; A235-F265 HydrophobicContact CB-CD1 3.71Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.67Å; A235-F265 HydrophobicContact CB-CE2 3.66Å; A235-F265 HydrophobicContact CB-CG 3.74Å; A235-F265 HydrophobicContact CB-CZ 3.67Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.95Å; T257-F265 HydrophobicContact CG2-CG 4.15Å; R258-F265 WeakPolarHBondContact O-CA 3.03Å; P259-F265 HydrophobicContact CB-CD1 4.5Å; P259-F265 HydrophobicContact CB-CE1 4.29Å
266	Q	98.2	Very high	95.9	Very high	45 Å²	45	51.2 Å²	51.2	21%	0.21	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	146.6	174.4	44.7	168	-25.9	0	0	110.2	A229 L230 R258	A229-Q266 CarbonylContact O-C 3.55Å; A229-Q266 VanDerWaalsContact O-CA 3.28Å; A229-Q266 WeakPolarHBondContact O-CA 3.37Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 3.35Å; R258-Q266 WeakPolarHBondContact O-CG 3.49Å; R258-Q266 PolarHBondContact O-N 2.84Å
267	K	98.5	Very high	95.8	Very high	22 Å²	22	46.1 Å²	46.1	10%	0.096	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	155	177.1	-162.3	-176	-171.8	70.6	0	109	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.04Å; A229-K267 PolarHBondContact O-N 3.26Å; A229-K267 VanDerWaalsContact O-O 3.09Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.18Å; I237-K267 HydrophobicContact CG2-CD 3.56Å; L239-K267 HydrophobicContact CD1-CD 4.29Å; L239-K267 HydrophobicContact CD2-CB 4.39Å; L239-K267 HydrophobicContact CD2-CG 4.45Å; L254-K267 HydrophobicContact CD1-CD 4.44Å; V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 VanDerWaalsContact O-CE 3.28Å; V255-K267 WeakPolarHBondContact O-CE 3.4Å; V255-K267 WeakPolarHBondContact O-CG 3.15Å; V255-K267 PolarHBondContact O-NZ 3.02Å; T257-K267 WeakPolarHBondContact OG1-CD 3.47Å; T257-K267 PolarHBondContact OG1-NZ 2.99Å; T257-K267 VanDerWaalsContact OG1-NZ 3.17Å
268	W	98.3	Very high	95.6	Very high	25 Å²	25	45 Å²	45	10%	0.095	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	157	169	59.2	-98	0	0	0	111.5	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 3.99Å; R226-W268 HydrophobicContact CG-CD2 4.1Å; R226-W268 HydrophobicContact CG-CE3 3.87Å; R226-W268 HydrophobicContact CG-CG 4.2Å; C227-W268 CarbonylContact O-C 3.58Å; C227-W268 WeakPolarHBondContact O-CA 3.46Å; C227-W268 WeakPolarHBondContact O-CB 3.45Å; W228-W268 HydrophobicContact CD2-CB 3.95Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.88Å; W228-W268 HydrophobicContact CE3-CG 4.18Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.64Å; W228-W268 HydrophobicContact CH2-CG 4.26Å; W228-W268 HydrophobicContact CZ3-CB 4.29Å; W228-W268 AromaticContact CZ3-CD1 3.41Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.41Å; W228-W268 HydrophobicContact CZ3-CG 4.09Å; E253-W268 HydrophobicContact CB-CZ3 4.26Å; E253-W268 HydrophobicContact CG-CH2 3.94Å; E253-W268 HydrophobicContact CG-CZ3 3.87Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.33Å; V255-W268 HydrophobicContact CB-CD2 4.5Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.97Å; V255-W268 HydrophobicContact CG1-CE3 4.28Å; V255-W268 HydrophobicContact CG1-CH2 3.56Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.08Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.23Å; V255-W268 PolarHBondContact N-O 3.35Å; W268-A270 HydrophobicContact CE3-CB 3.94Å; W268-A270 HydrophobicContact CZ3-CB 3.64Å
269	A	98.2	Very high	95.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132.3	174.2	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.18Å; C227-A269 PolarHBondContact N-O 3.15Å; C227-A269 PolarHBondContact O-N 3.24Å; L239-A269 HydrophobicContact CB-CB 4.03Å; L239-A269 HydrophobicContact CD2-CB 4.29Å; W241-A269 PolarHBondContact NE1-O 3.35Å; T252-A269 HydrophobicContact CG2-CB 3.9Å; E253-A269 CarbonylContact O-C 3.56Å; E253-A269 WeakPolarHBondContact O-CA 3.34Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
270	A	97.8	Very high	95.4	Very high	4 Å²	4	44 Å²	44	3%	0.033	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145.8	-179.7	0	0	0	0	0	112.3	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.93Å; L225-A270 CarbonylContact O-C 3.51Å; L225-A270 WeakPolarHBondContact O-CA 3.34Å; R226-A270 HydrophobicContact CB-CB 4.1Å; R226-A270 HydrophobicContact CG-CB 4.17Å; T252-A270 CarbonylContact C-O 3.57Å; T252-A270 WeakPolarHBondContact CA-O 3.44Å; E253-A270 HydrophobicContact CB-CB 4.43Å; E253-A270 PolarHBondContact N-O 2.89Å; E253-A270 PolarHBondContact O-N 3.46Å; W268-A270 HydrophobicContact CE3-CB 3.94Å; W268-A270 HydrophobicContact CZ3-CB 3.64Å
271	V	97.4	Very high	95.4	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.024	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.5	174.5	-73.1	0	0	0	0	109.3	T224 L225 W241 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.06Å; L225-V271 HydrophobicContact CB-CG2 4.19Å; L225-V271 PolarHBondContact N-O 2.89Å; L225-V271 PolarHBondContact O-N 3.28Å; W241-V271 HydrophobicContact CB-CG1 3.69Å; W241-V271 HydrophobicContact CB-CG2 4.44Å; W241-V271 HydrophobicContact CD2-CG1 4.34Å; W241-V271 HydrophobicContact CD2-CG2 3.63Å; W241-V271 HydrophobicContact CE3-CG2 4.04Å; W241-V271 HydrophobicContact CG-CB 4.37Å; W241-V271 HydrophobicContact CG-CG1 3.61Å; W241-V271 HydrophobicContact CG-CG2 3.82Å; W241-V271 HydrophobicContact CZ2-CG2 4.27Å; T252-V271 HydrophobicContact CG2-CG1 4.36Å; T252-V271 VanDerWaalsContact OG1-CG1 3.25Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.28Å; V271-V273 HydrophobicContact CB-CG1 4.38Å; V271-V273 HydrophobicContact CG2-CG1 3.78Å; V271-Y281 HydrophobicContact CG2-CD1 4.11Å
272	V	96.8	Very high	95.7	Very high	81 Å²	81	39.5 Å²	39.5	49%	0.491	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129.6	168.3	-178	0	0	0	0	107.7	E222 A223	E222-V272 HydrophobicContact CB-CG1 4.14Å; E222-V272 HydrophobicContact CG-CG1 4.34Å; A223-V272 WeakPolarHBondContact O-CA 3.39Å
273	V	95.8	Very high	95.9	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.6	-174.9	-53.3	0	0	0	0	110.5	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.4Å; A223-V273 HydrophobicContact CB-CG2 4.43Å; A223-V273 PolarHBondContact N-O 3Å; A223-V273 WeakPolarHBondContact O-CG2 3.36Å; A223-V273 PolarHBondContact O-N 3.48Å; L225-V273 HydrophobicContact CD1-CG1 4.04Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.19Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; V271-V273 HydrophobicContact CB-CG1 4.38Å; V271-V273 HydrophobicContact CG2-CG1 3.78Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; V273-Y281 HydrophobicContact CB-CD2 3.96Å; V273-Y281 HydrophobicContact CB-CE2 3.64Å; V273-Y281 HydrophobicContact CG1-CD1 3.8Å; V273-Y281 HydrophobicContact CG1-CD2 3.54Å; V273-Y281 HydrophobicContact CG1-CE1 3.73Å; V273-Y281 HydrophobicContact CG1-CE2 3.48Å; V273-Y281 VanDerWaalsContact CG1-CE2 3.48Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å
274	P	95.4	Very high	96.2	Very high	51 Å²	51	33.9 Å²	33.9	33%	0.331	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	140.7	170.6	-20	32.2	0	0	0	111.4	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.45Å; P274-G276 PolarHBondContact O-N 3.25Å; P274-E277 HydrophobicContact CB-CB 4.34Å; P274-E277 HydrophobicContact CB-CG 4.18Å; P274-E277 PolarHBondContact O-N 3.42Å; P274-E277 VanDerWaalsContact O-N 3.07Å
275	S	91.4	Very high	96.3	Very high	57 Å²	57	33.5 Å²	33.5	40%	0.399	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	128	175.9	-63.3	0	0	0	0	111.3	H221 E222 E278	H221-S275 PolarHBondContact O-N 2.61Å; H221-S275 PolarHBondContact O-OG 2.81Å; E222-S275 PolarHBondContact N-OG 2.81Å; S275-E278 WeakPolarHBondContact CA-OE1 3.23Å
276	G	90.6	Very high	96.2	Very high	67 Å²	67	35.5 Å²	35.5	69%	0.691	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.1	-9.2	-176.4	0	0	0	0	0	114.8	P274 E278	P274-G276 PolarHBondContact O-N 3.25Å; G276-E278 WeakPolarHBondContact CA-OE2 3.29Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 2.87Å; G276-E278 PolarHBondContact N-OE2 3.22Å
277	E	94.2	Very high	96.1	Very high	64 Å²	64	34 Å²	34	30%	0.299	19%	0.189	S	C	.	.			trans	-99.6	3.3	175.9	-64.9	-159	-155	0	0	113.6	P274 Q279 R280 Y281	P274-E277 HydrophobicContact CB-CB 4.34Å; P274-E277 HydrophobicContact CB-CG 4.18Å; P274-E277 PolarHBondContact O-N 3.42Å; P274-E277 VanDerWaalsContact O-N 3.07Å; E277-Q279 PolarHBondContact O-N 3.36Å; E277-R280 WeakPolarHBondContact O-CB 3.46Å; E277-R280 PolarHBondContact O-N 3.18Å; E277-R280 IonicContact OE1-NH1 2.72Å; E277-R280 IonicContact OE2-CZ 3.19Å; E277-R280 IonicContact OE2-NH1 2.65Å; E277-R280 PolarHBondContact OE2-NH1 2.95Å; E277-Y281 HydrophobicContact CB-CE2 4.38Å; E277-Y281 WeakPolarHBondContact O-CD2 3.3Å
278	E	94.2	Very high	95.7	Very high	20 Å²	20	37 Å²	37	9%	0.093	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-57.5	-31.7	-171.3	-56.9	83.3	176.9	0	0	112.8	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.04Å; L225-E278 HydrophobicContact CD1-CB 4.14Å; L225-E278 HydrophobicContact CD2-CG 4.41Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; S275-E278 WeakPolarHBondContact CA-OE1 3.23Å; G276-E278 WeakPolarHBondContact CA-OE2 3.29Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 2.87Å; G276-E278 PolarHBondContact N-OE2 3.22Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 2.99Å; E278-Y281 PolarHBondContact O-N 3.35Å; E278-W298 HydrophobicContact CB-CD2 4.45Å; E278-W298 HydrophobicContact CB-CE3 3.43Å; E278-W298 VanDerWaalsContact CB-CE3 3.43Å; E278-W298 HydrophobicContact CB-CZ3 3.82Å; E278-W298 HydrophobicContact CG-CE3 3.8Å; E278-W298 HydrophobicContact CG-CZ3 3.81Å
279	Q	94.2	Very high	95.3	Very high	87 Å²	87	36.3 Å²	36.3	41%	0.407	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-74.3	-14.4	-179.1	-64	-57.9	-47.2	0	0	114.2	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 3.36Å; Q279-Y281 VanDerWaalsContact C-N 3.32Å; Q279-W298 PolarHBondContact NE2-O 3.34Å
280	R	95.5	Very high	95.1	Very high	83 Å²	83	37.5 Å²	37.5	31%	0.313	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-80.4	-18	174.1	-60.7	176.7	69.9	-169.5	2.7	112.1	W243 D244 E277 E278	W243-R280 VanDerWaalsContact CE2-NH2 3.28Å; W243-R280 VanDerWaalsContact CZ2-NH1 3.27Å; W243-R280 VanDerWaalsContact NE1-CZ 3.28Å; D244-R280 PolarHBondContact N-O 3.41Å; D244-R280 VanDerWaalsContact N-O 3.16Å; D244-R280 IonicContact OD1-NE 3.94Å; D244-R280 IonicContact OD2-CZ 3.99Å; D244-R280 IonicContact OD2-NE 2.74Å; D244-R280 PolarHBondContact OD2-NE 2.84Å; D244-R280 IonicContact OD2-NH2 3.68Å; D244-R280 PolarHBondContact OD2-NH2 3.13Å; E277-R280 WeakPolarHBondContact O-CB 3.46Å; E277-R280 PolarHBondContact O-N 3.18Å; E277-R280 IonicContact OE1-NH1 2.72Å; E277-R280 IonicContact OE2-CZ 3.19Å; E277-R280 IonicContact OE2-NH1 2.65Å; E277-R280 PolarHBondContact OE2-NH1 2.95Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 2.99Å
281	Y	96.7	Very high	94.8	Very high	20 Å²	20	43 Å²	43	8%	0.078	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	128.1	179.6	-69.4	-95.3	0	0	0	111	Q242 W243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.58Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.34Å; W243-Y281 HydrophobicContact CB-CD1 4.24Å; W243-Y281 HydrophobicContact CB-CE1 4Å; W243-Y281 AromaticContact CD1-CE2 3.57Å; W243-Y281 AromaticContact CD1-CZ 3.58Å; W243-Y281 HydrophobicContact CG-CE1 4.29Å; Q248-Y281 HydrophobicContact CG-CE1 4.42Å; V271-Y281 HydrophobicContact CG2-CD1 4.11Å; V273-Y281 HydrophobicContact CB-CD2 3.96Å; V273-Y281 HydrophobicContact CB-CE2 3.64Å; V273-Y281 HydrophobicContact CG1-CD1 3.8Å; V273-Y281 HydrophobicContact CG1-CD2 3.54Å; V273-Y281 HydrophobicContact CG1-CE1 3.73Å; V273-Y281 HydrophobicContact CG1-CE2 3.48Å; V273-Y281 VanDerWaalsContact CG1-CE2 3.48Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å; E277-Y281 HydrophobicContact CB-CE2 4.38Å; E277-Y281 WeakPolarHBondContact O-CD2 3.3Å; E278-Y281 PolarHBondContact O-N 3.35Å; Q279-Y281 VanDerWaalsContact C-N 3.32Å
282	T	97.6	Very high	94.5	Very high	11 Å²	11	50 Å²	50	7%	0.067	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	133.2	174.6	47	0	0	0	0	110.7	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.42Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; Q242-T282 PolarHBondContact N-O 2.84Å; Q242-T282 PolarHBondContact O-N 3.15Å; T282-H284 PolarHBondContact OG1-NE2 3.09Å; T282-T295 HydrophobicContact CG2-CG2 3.95Å; T282-L296 CarbonylContact C-O 3.52Å; T282-L296 WeakPolarHBondContact CA-O 3.48Å; T282-R297 HydrophobicContact CG2-CG 3.62Å; T282-R297 VanDerWaalsContact CG2-NE 3.28Å
283	C	97.9	Very high	94.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127.5	170.2	174.6	0	0	0	0	109.7	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.12Å; C227-C283 WeakPolarHBondContact SG-CB 3.06Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.17Å; T240-C283 CarbonylContact O-C 3.59Å; T240-C283 WeakPolarHBondContact O-CA 3.39Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.06Å; W241-C283 HydrophobicContact CH2-CB 3.99Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 3.98Å; C283-T295 CarbonylContact O-C 3.56Å; C283-T295 WeakPolarHBondContact O-CA 3.48Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 2.77Å; C283-L296 PolarHBondContact O-N 3.1Å
284	H	97.6	Very high	94.5	Very high	35 Å²	35	52.3 Å²	52.3	16%	0.162	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128.9	176.7	-65.1	-102.6	0	0	0	109.9	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.46Å; T240-H284 PolarHBondContact N-O 3.08Å; T240-H284 PolarHBondContact O-N 3.29Å; T240-H284 WeakPolarHBondContact OG1-CB 3.46Å; Q242-H284 PolarHBondContact OE1-NE2 2.93Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.08Å; T282-H284 PolarHBondContact OG1-NE2 3.09Å; H284-L294 CarbonylContact C-O 3.58Å; H284-L294 WeakPolarHBondContact CA-O 3.19Å; H284-T295 PolarHBondContact CE1-OG1 2.73Å; H284-T295 PolarHBondContact ND1-OG1 3.25Å
285	V	97.8	Very high	94.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	120.8	-178.3	-174.6	0	0	0	0	109.3	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.97Å; T211-V285 HydrophobicContact CG2-CB 4.48Å; T211-V285 HydrophobicContact CG2-CG1 4.18Å; T211-V285 HydrophobicContact CG2-CG2 4.1Å; I237-V285 HydrophobicContact CD1-CG1 3.94Å; I237-V285 HydrophobicContact CG1-CG1 4.27Å; T238-V285 WeakPolarHBondContact O-CA 3.41Å; L239-V285 HydrophobicContact CD1-CG1 4.09Å; L239-V285 HydrophobicContact CG-CG2 4.32Å; V285-L290 HydrophobicContact CG1-CD1 4.26Å; V285-P293 WeakPolarHBondContact O-CA 3.31Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.2Å; V285-L294 PolarHBondContact O-N 3.11Å; V285-L296 HydrophobicContact CG2-CD1 3.98Å
286	Q	96.6	Very high	94.8	Very high	68 Å²	68	52.7 Å²	52.7	32%	0.318	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.7	173.7	-58.9	179.8	8.9	0	0	109.4	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.28Å; I237-Q286 WeakPolarHBondContact CG1-O 3.35Å; T238-Q286 PolarHBondContact N-O 3.01Å; T238-Q286 PolarHBondContact O-N 3.33Å; Q286-P293 HydrophobicContact CG-CB 3.93Å; Q286-P293 HydrophobicContact CG-CG 4.03Å
287	H	95.1	Very high	95	Very high	15 Å²	15	56.5 Å²	56.5	7%	0.069	28%	0.283	C	S	.	.			trans	-155.8	143.4	-178.5	-174.3	-98.4	0	0	0	108.5	E207 P209 F232 Y233 P234 E236 I237 G289 L290	E207-H287 PolarHBondContact O-CE1 3.07Å; E207-H287 VanDerWaalsContact O-CE1 3.28Å; P209-H287 HydrophobicContact CG-CB 4.13Å; F232-H287 AromaticContact CD2-CD2 3.82Å; F232-H287 AromaticContact CD2-NE2 3.68Å; Y233-H287 PolarHBondContact O-CE1 3.41Å; P234-H287 PolarHBondContact O-NE2 3.14Å; E236-H287 PolarHBondContact O-CD2 3.2Å; I237-H287 HydrophobicContact CD1-CB 4.33Å; I237-H287 HydrophobicContact CG1-CB 4.08Å; H287-G289 WeakPolarHBondContact ND1-CA 3.31Å; H287-G289 PolarHBondContact ND1-N 3.2Å; H287-G289 PolarHBondContact O-N 3.39Å; H287-L290 HydrophobicContact CB-CD1 3.97Å; H287-L290 HydrophobicContact CB-CG 4.21Å; H287-L290 WeakPolarHBondContact O-CB 3.39Å; H287-L290 PolarHBondContact O-N 2.96Å
288	E	91.3	Very high	95.1	Very high	83 Å²	83	55.8 Å²	55.8	39%	0.388	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-30.5	-179.4	-179.2	-178.6	164.7	0	0	112.9	A24 L290	A24-E288 WeakPolarHBondContact CA-OE1 3.34Å; E288-L290 VanDerWaalsContact C-N 3.27Å; E288-L290 PolarHBondContact O-N 3.24Å
289	G	90.6	Very high	94.9	Very high	12 Å²	12	63 Å²	63	12%	0.124	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-43.3	173.1	0	0	0	0	0	111	H208 H287	H208-G289 PolarHBondContact CE1-O 3.4Å; H208-G289 PolarHBondContact ND1-O 2.97Å; H287-G289 WeakPolarHBondContact ND1-CA 3.31Å; H287-G289 PolarHBondContact ND1-N 3.2Å; H287-G289 PolarHBondContact O-N 3.39Å
290	L	93.2	Very high	94.2	Very high	24 Å²	24	62.7 Å²	62.7	13%	0.126	32%	0.317	C	S	.	.			trans	-72.2	128.9	-172.6	-64.7	167	0	0	0	112.4	H208 P209 V285 H287 E288 E292 L294	H208-L290 HydrophobicContact CB-CD2 4.17Å; H208-L290 WeakPolarHBondContact ND1-CA 3.34Å; H208-L290 PolarHBondContact ND1-N 2.9Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CG 4.25Å; V285-L290 HydrophobicContact CG1-CD1 4.26Å; H287-L290 HydrophobicContact CB-CD1 3.97Å; H287-L290 HydrophobicContact CB-CG 4.21Å; H287-L290 WeakPolarHBondContact O-CB 3.39Å; H287-L290 PolarHBondContact O-N 2.96Å; E288-L290 VanDerWaalsContact C-N 3.27Å; E288-L290 PolarHBondContact O-N 3.24Å; L290-E292 WeakPolarHBondContact CB-O 3.35Å; L290-E292 PolarHBondContact O-N 3.04Å; L290-L294 HydrophobicContact CD1-CD1 3.95Å; L290-L294 HydrophobicContact CD1-CG 3.84Å; L290-L294 HydrophobicContact CD2-CD1 3.65Å; L290-L294 HydrophobicContact CD2-CD2 4.36Å; L290-L294 HydrophobicContact CD2-CG 3.84Å; L290-L294 HydrophobicContact CG-CD1 4.48Å; L290-L294 HydrophobicContact CG-CG 4.46Å
291	P	90.9	Very high	92.8	Very high	120 Å²	120	63.5 Å²	63.5	78%	0.779	34%	0.335	S	S	*	.	S	Bend	trans	-66.7	-30.8	175.9	28.6	-35.2	0	0	0	112
292	E	92.2	Very high	90.7	Very high	151 Å²	151	67.9 Å²	67.9	71%	0.706	37%	0.368	S	S	*	.	S	Bend	trans	-139.1	147.9	174.9	-66.5	-176.9	179.9	0	0	109.4	L290 L294	L290-E292 WeakPolarHBondContact CB-O 3.35Å; L290-E292 PolarHBondContact O-N 3.04Å; E292-L294 PolarHBondContact O-N 3.19Å
293	P	94.8	Very high	88.3	Confident	70 Å²	70	74.8 Å²	74.8	46%	0.455	40%	0.4	S	S	.	.			trans	-54.3	136.2	174.1	-27	36	0	0	0	112.5	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.31Å; Q286-P293 HydrophobicContact CG-CB 3.93Å; Q286-P293 HydrophobicContact CG-CG 4.03Å
294	L	96.3	Very high	85.8	Confident	60 Å²	60	80 Å²	80	31%	0.314	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	140.4	174.5	-63.6	177.5	0	0	0	110.4	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.41Å; H284-L294 CarbonylContact C-O 3.58Å; H284-L294 WeakPolarHBondContact CA-O 3.19Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.2Å; V285-L294 PolarHBondContact O-N 3.11Å; L290-L294 HydrophobicContact CD1-CD1 3.95Å; L290-L294 HydrophobicContact CD1-CG 3.84Å; L290-L294 HydrophobicContact CD2-CD1 3.65Å; L290-L294 HydrophobicContact CD2-CD2 4.36Å; L290-L294 HydrophobicContact CD2-CG 3.84Å; L290-L294 HydrophobicContact CG-CD1 4.48Å; L290-L294 HydrophobicContact CG-CG 4.46Å; E292-L294 PolarHBondContact O-N 3.19Å
295	T	97.2	Very high	83.6	Confident	82 Å²	82	84.8 Å²	84.8	50%	0.503	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	121.3	170.3	-55.9	0	0	0	0	108.6	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.95Å; C283-T295 CarbonylContact O-C 3.56Å; C283-T295 WeakPolarHBondContact O-CA 3.48Å; H284-T295 PolarHBondContact CE1-OG1 2.73Å; H284-T295 PolarHBondContact ND1-OG1 3.25Å
296	L	96.6	Very high	81.7	Confident	35 Å²	35	89.9 Å²	89.9	18%	0.183	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	143.5	-174.1	-60.4	156.1	0	0	0	109.9	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.43Å; T211-L296 HydrophobicContact CG2-CD1 4.16Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.13Å; V213-L296 HydrophobicContact CG2-CB 3.93Å; T282-L296 CarbonylContact C-O 3.52Å; T282-L296 WeakPolarHBondContact CA-O 3.48Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 2.77Å; C283-L296 PolarHBondContact O-N 3.1Å; V285-L296 HydrophobicContact CG2-CD1 3.98Å
297	R	95.7	Very high	79.9	Confident	147 Å²	147	90.8 Å²	90.8	56%	0.555	50%	0.504	S	S	*	.			trans	-119.2	161.1	167.9	-70	-176	178.4	-179.7	-3	109.2	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.62Å; T282-R297 VanDerWaalsContact CG2-NE 3.28Å; R297-E299 PolarHBondContact O-N 3.05Å
298	W	95.4	Very high	78.2	Confident	48 Å²	48	95.9 Å²	95.9	18%	0.182	53%	0.53	C	S	.	.	P	Polyproline II helix	trans	-69.6	121.9	168.3	170.7	56.6	0	0	0	110	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.47Å; V213-W298 HydrophobicContact CG1-CB 3.85Å; H215-W298 HydrophobicContact CB-CD2 4.11Å; H215-W298 HydrophobicContact CB-CG 4.17Å; H215-W298 HydrophobicContact CB-CZ2 4.02Å; H215-W298 VanDerWaalsContact CB-NE1 3.28Å; H215-W298 AromaticContact CG-CE2 3.81Å; H215-W298 AromaticContact CG-CZ2 3.83Å; H215-W298 AromaticContact ND1-CZ2 3.99Å; L225-W298 HydrophobicContact CD1-CB 4.44Å; L225-W298 HydrophobicContact CD2-CB 3.86Å; L225-W298 HydrophobicContact CD2-CD2 4.39Å; L225-W298 HydrophobicContact CD2-CG 3.97Å; E278-W298 HydrophobicContact CB-CD2 4.45Å; E278-W298 HydrophobicContact CB-CE3 3.43Å; E278-W298 VanDerWaalsContact CB-CE3 3.43Å; E278-W298 HydrophobicContact CB-CZ3 3.82Å; E278-W298 HydrophobicContact CG-CE3 3.8Å; E278-W298 HydrophobicContact CG-CZ3 3.81Å; Q279-W298 PolarHBondContact NE2-O 3.34Å; W298-P300 HydrophobicContact CE3-CG 4.47Å; W298-P300 HydrophobicContact CH2-CB 4.36Å; W298-P300 HydrophobicContact CH2-CG 3.97Å; W298-P300 HydrophobicContact CZ2-CB 4.12Å; W298-P300 HydrophobicContact CZ2-CG 4.06Å; W298-P300 HydrophobicContact CZ3-CG 4.17Å
299	E	89.3	Confident	76.8	Confident	171 Å²	171	97.7 Å²	97.7	80%	0.799	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-100.9	120.5	170.3	-71.1	-177.3	174	0	0	109.3	R297 S301	R297-E299 PolarHBondContact O-N 3.05Å; E299-S301 PolarHBondContact O-N 2.89Å
300	P	80.8	Confident	75.6	Confident	81 Å²	81	99.2 Å²	99.2	53%	0.526	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-58.8	127.7	171.4	-20.7	31.3	0	0	0	109.4	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.47Å; W298-P300 HydrophobicContact CH2-CB 4.36Å; W298-P300 HydrophobicContact CH2-CG 3.97Å; W298-P300 HydrophobicContact CZ2-CB 4.12Å; W298-P300 HydrophobicContact CZ2-CG 4.06Å; W298-P300 HydrophobicContact CZ3-CG 4.17Å; P300-S302 PolarHBondContact O-N 3.37Å
301	S	66.1	Low	74.6	Confident	100 Å²	100	102.7 Å²	102.7	70%	0.699	58%	0.58	S	S	*	*			trans	-48.9	107.5	175.4	168.9	0	0	0	0	110.5	E299 Q303	E299-S301 PolarHBondContact O-N 2.89Å; S301-Q303 PolarHBondContact O-N 2.86Å
302	S	51.6	Low	73.8	Confident	112 Å²	112	101.2 Å²	101.2	78%	0.783	57%	0.569	S	S	*	*			trans	-78.5	69.1	166.3	61	0	0	0	0	108.1	P300 P304	P300-S302 PolarHBondContact O-N 3.37Å; S302-P304 WeakPolarHBondContact O-CD 3.35Å
303	Q	47.9	Very low	72.9	Confident	157 Å²	157	96.6 Å²	96.6	73%	0.734	56%	0.556	S	S	*	*			trans	-62	117.1	156.8	-83.8	-174.2	-12	0	0	105.8	S301 T305	S301-Q303 PolarHBondContact O-N 2.86Å; Q303-T305 PolarHBondContact O-N 3.27Å
304	P	45.1	Very low	72.2	Confident	110 Å²	110	94.9 Å²	94.9	71%	0.714	55%	0.552	S	S	*	*			trans	-59.5	115	167.8	24.4	-29.2	0	0	0	105.2	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.35Å; P304-I306 PolarHBondContact O-N 3.39Å
305	T	51.8	Low	71.6	Confident	135 Å²	135	97.3 Å²	97.3	83%	0.828	56%	0.564	S	S	*	*			trans	-61.2	87.3	164	-43.4	0	0	0	0	105.1	Q303 P307	Q303-T305 PolarHBondContact O-N 3.27Å; T305-P307 WeakPolarHBondContact O-CD 3.31Å
306	I	56.7	Low	70.9	Confident	106 Å²	106	96 Å²	96	54%	0.544	56%	0.562	S	S	.	*			trans	-49.5	120.6	167.7	-64.7	173.8	0	0	0	103.3	P304 I308 I311	P304-I306 PolarHBondContact O-N 3.39Å; I306-I308 PolarHBondContact O-N 3.17Å; I306-I311 HydrophobicContact CG2-CD1 3.91Å
307	P	58.5	Low	70.3	Confident	87 Å²	87	98.5 Å²	98.5	57%	0.565	58%	0.578	S	S	*	*			trans	-73.5	81.2	-174.5	29.3	-32.7	0	0	0	106.8	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.31Å; P307-V309 PolarHBondContact O-N 3.4Å; P307-V309 VanDerWaalsContact O-N 3.14Å; P307-G310 WeakPolarHBondContact O-CA 3.35Å; P307-G310 PolarHBondContact O-N 2.88Å; P307-I311 PolarHBondContact O-N 2.97Å; P307-I311 VanDerWaalsContact O-N 3.14Å
308	I	61	Low	69.7	Low	122 Å²	122	97 Å²	97	63%	0.626	58%	0.58	S	S	*	*	H	α-helix	trans	-54.3	-34.3	176.7	-67.6	164.8	0	0	0	108.4	I306 G310 I311 V312	I306-I308 PolarHBondContact O-N 3.17Å; I308-G310 PolarHBondContact O-N 2.69Å; I308-I311 PolarHBondContact O-N 3.43Å; I308-V312 HydrophobicContact CG2-CG2 4.27Å; I308-V312 WeakPolarHBondContact O-CB 3.12Å; I308-V312 WeakPolarHBondContact O-CG2 3.5Å; I308-V312 PolarHBondContact O-N 2.84Å
309	V	60.3	Low	69.1	Low	122 Å²	122	97.3 Å²	97.3	74%	0.739	59%	0.594	S	S	*	*	H	α-helix	trans	-61.6	-40.9	173.1	-179.1	0	0	0	0	112.5	P307 A313	P307-V309 PolarHBondContact O-N 3.4Å; P307-V309 VanDerWaalsContact O-N 3.14Å; V309-A313 VanDerWaalsContact O-CB 3.22Å; V309-A313 WeakPolarHBondContact O-CB 3.39Å; V309-A313 PolarHBondContact O-N 3.09Å
310	G	65.3	Low	68.8	Low	44 Å²	44	93.3 Å²	93.3	45%	0.454	58%	0.581	S	S	.	*	H	α-helix	trans	-69	-38.6	178.9	0	0	0	0	0	112.9	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.35Å; P307-G310 PolarHBondContact O-N 2.88Å; I308-G310 PolarHBondContact O-N 2.69Å; G310-G314 PolarHBondContact O-N 3.37Å
311	I	72.6	Confident	69	Low	97 Å²	97	94.4 Å²	94.4	50%	0.497	58%	0.581	S	S	.	*	H	α-helix	trans	-70.1	-43.7	176.8	-61.4	173.8	0	0	0	110.6	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.91Å; P307-I311 PolarHBondContact O-N 2.97Å; P307-I311 VanDerWaalsContact O-N 3.14Å; I308-I311 PolarHBondContact O-N 3.43Å; I311-G314 PolarHBondContact O-N 3.49Å; I311-L315 HydrophobicContact CG2-CD1 4.04Å; I311-L315 WeakPolarHBondContact O-CB 3.41Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 2.95Å
312	V	74.1	Confident	69.7	Low	89 Å²	89	92.7 Å²	92.7	54%	0.539	57%	0.574	S	S	.	*	H	α-helix	trans	-65.4	-42.9	177.8	172.4	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.27Å; I308-V312 WeakPolarHBondContact O-CB 3.12Å; I308-V312 WeakPolarHBondContact O-CG2 3.5Å; I308-V312 PolarHBondContact O-N 2.84Å; V312-L315 PolarHBondContact O-N 3.38Å; V312-A316 WeakPolarHBondContact O-CB 3.49Å; V312-A316 PolarHBondContact O-N 2.99Å
313	A	74.1	Confident	71.1	Confident	53 Å²	53	91.9 Å²	91.9	44%	0.438	56%	0.564	S	S	.	*	H	α-helix	trans	-63.3	-43.2	174.9	0	0	0	0	0	111.8	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.22Å; V309-A313 WeakPolarHBondContact O-CB 3.39Å; V309-A313 PolarHBondContact O-N 3.09Å; A313-A316 PolarHBondContact O-N 3.24Å; A313-V317 WeakPolarHBondContact O-CG2 3.42Å; A313-V317 PolarHBondContact O-N 2.92Å
314	G	79.6	Confident	72.6	Confident	35 Å²	35	89.1 Å²	89.1	36%	0.361	55%	0.553	S	S	.	*	H	α-helix	trans	-61.2	-43.9	176.6	0	0	0	0	0	113	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.37Å; I311-G314 PolarHBondContact O-N 3.49Å; G314-V317 PolarHBondContact O-N 2.98Å; G314-L318 PolarHBondContact O-N 3.14Å
315	L	84.2	Confident	74.3	Confident	110 Å²	110	85.9 Å²	85.9	58%	0.576	54%	0.54	S	S	*	.	H	α-helix	trans	-67	-38.2	176.5	-73.1	172	0	0	0	112.5	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.04Å; I311-L315 WeakPolarHBondContact O-CB 3.41Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 2.95Å; V312-L315 PolarHBondContact O-N 3.38Å; L315-L318 PolarHBondContact O-N 3.45Å; L315-A319 WeakPolarHBondContact O-CB 3.31Å; L315-A319 PolarHBondContact O-N 3.42Å
316	A	81.8	Confident	75.5	Confident	55 Å²	55	82 Å²	82	46%	0.455	52%	0.522	S	S	.	.	H	α-helix	trans	-63.5	-43.1	175.6	0	0	0	0	0	111.6	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.49Å; V312-A316 PolarHBondContact O-N 2.99Å; A313-A316 PolarHBondContact O-N 3.24Å; A316-A319 PolarHBondContact O-N 3.38Å; A316-V320 VanDerWaalsContact O-CG2 3.32Å; A316-V320 WeakPolarHBondContact O-CG2 3.39Å; A316-V320 PolarHBondContact O-N 3.5Å
317	V	83.9	Confident	76.5	Confident	87 Å²	87	80.9 Å²	80.9	53%	0.527	52%	0.52	S	S	.	.	H	α-helix	trans	-63.7	-44	176.2	173.1	0	0	0	0	111.2	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.42Å; A313-V317 PolarHBondContact O-N 2.92Å; G314-V317 PolarHBondContact O-N 2.98Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 2.75Å; V317-V320 PolarHBondContact O-N 3.12Å; V317-L321 HydrophobicContact CG1-CD1 3.99Å; V317-L321 HydrophobicContact CG1-CG 4.4Å; V317-L321 WeakPolarHBondContact O-CG 3.38Å; V317-L321 PolarHBondContact O-N 3.01Å
318	L	83.1	Confident	77.3	Confident	115 Å²	115	80.7 Å²	80.7	60%	0.602	52%	0.517	S	S	*	.	H	α-helix	trans	-61.2	-41.7	176.2	-85.7	164.2	0	0	0	112.5	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 3.14Å; L315-L318 PolarHBondContact O-N 3.45Å; L318-L321 PolarHBondContact O-N 3.03Å; L318-A322 WeakPolarHBondContact O-CB 3.43Å; L318-A322 PolarHBondContact O-N 3.25Å
319	A	83	Confident	77.9	Confident	56 Å²	56	77.5 Å²	77.5	46%	0.463	51%	0.508	S	S	.	.	H	α-helix	trans	-63.1	-43.7	176.2	0	0	0	0	0	111.7	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.31Å; L315-A319 PolarHBondContact O-N 3.42Å; A316-A319 PolarHBondContact O-N 3.38Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 2.75Å; A319-A322 PolarHBondContact O-N 2.79Å; A319-V323 WeakPolarHBondContact O-CG2 3.41Å; A319-V323 PolarHBondContact O-N 2.86Å
320	V	83.9	Confident	78.4	Confident	87 Å²	87	75.4 Å²	75.4	53%	0.527	50%	0.496	S	S	.	.	H	α-helix	trans	-62.6	-44	176.5	171.8	0	0	0	0	111.2	A316 V317 A322 V323 L324	A316-V320 VanDerWaalsContact O-CG2 3.32Å; A316-V320 WeakPolarHBondContact O-CG2 3.39Å; A316-V320 PolarHBondContact O-N 3.5Å; V317-V320 PolarHBondContact O-N 3.12Å; V320-A322 PolarHBondContact O-N 3.06Å; V320-V323 PolarHBondContact O-N 3.27Å; V320-L324 HydrophobicContact CG1-CD1 3.94Å; V320-L324 HydrophobicContact CG1-CG 4.49Å; V320-L324 WeakPolarHBondContact O-CG 3.47Å; V320-L324 PolarHBondContact O-N 2.97Å
321	L	84	Confident	78.8	Confident	103 Å²	103	77.1 Å²	77.1	54%	0.539	50%	0.498	S	S	.	.	H	α-helix	trans	-64.7	-39.1	177.5	-71.3	173.8	0	0	0	112.3	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 3.99Å; V317-L321 HydrophobicContact CG1-CG 4.4Å; V317-L321 WeakPolarHBondContact O-CG 3.38Å; V317-L321 PolarHBondContact O-N 3.01Å; L318-L321 PolarHBondContact O-N 3.03Å; L321-L324 PolarHBondContact O-N 3.34Å; L321-G325 PolarHBondContact O-N 3.35Å
322	A	81	Confident	78.7	Confident	65 Å²	65	78.7 Å²	78.7	54%	0.537	50%	0.504	S	S	.	.	H	α-helix	trans	-63.9	-42.1	175.7	0	0	0	0	0	111.9	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.43Å; L318-A322 PolarHBondContact O-N 3.25Å; A319-A322 PolarHBondContact O-N 2.79Å; V320-A322 PolarHBondContact O-N 3.06Å; A322-G325 PolarHBondContact O-N 3.39Å; A322-A326 WeakPolarHBondContact O-CB 3.43Å; A322-A326 PolarHBondContact O-N 2.88Å
323	V	81.3	Confident	78.1	Confident	94 Å²	94	78.8 Å²	78.8	57%	0.57	51%	0.508	S	S	*	.	H	α-helix	trans	-64.6	-45.4	175.8	173	0	0	0	0	110.8	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.41Å; A319-V323 PolarHBondContact O-N 2.86Å; V320-V323 PolarHBondContact O-N 3.27Å; V323-G325 PolarHBondContact O-N 2.9Å; V323-A326 PolarHBondContact O-N 2.9Å; V323-V327 HydrophobicContact CG1-CG2 4.48Å; V323-V327 VanDerWaalsContact O-CG2 3.29Å; V323-V327 WeakPolarHBondContact O-CG2 3.42Å; V323-V327 PolarHBondContact O-N 3.22Å
324	L	79.9	Confident	77.4	Confident	99 Å²	99	85.2 Å²	85.2	52%	0.518	52%	0.521	S	S	.	.	H	α-helix	trans	-61.6	-43.1	176.1	-73.4	169.1	0	0	0	111.8	V320 L321 A326 V327 V328	V320-L324 HydrophobicContact CG1-CD1 3.94Å; V320-L324 HydrophobicContact CG1-CG 4.49Å; V320-L324 WeakPolarHBondContact O-CG 3.47Å; V320-L324 PolarHBondContact O-N 2.97Å; L321-L324 PolarHBondContact O-N 3.34Å; L324-A326 PolarHBondContact O-N 2.94Å; L324-V327 PolarHBondContact O-N 3.07Å; L324-V328 WeakPolarHBondContact O-CG2 3.3Å; L324-V328 PolarHBondContact O-N 2.7Å
325	G	79.6	Confident	76.3	Confident	42 Å²	42	93.6 Å²	93.6	43%	0.433	54%	0.541	S	S	.	.	H	α-helix	trans	-60.2	-43.6	175.1	0	0	0	0	0	112.5	L321 A322 V323 V328 A329	L321-G325 PolarHBondContact O-N 3.35Å; A322-G325 PolarHBondContact O-N 3.39Å; V323-G325 PolarHBondContact O-N 2.9Å; G325-V328 PolarHBondContact O-N 3.2Å; G325-A329 WeakPolarHBondContact O-CB 3.28Å; G325-A329 PolarHBondContact O-N 3.27Å
326	A	77.4	Confident	74.6	Confident	55 Å²	55	97.2 Å²	97.2	46%	0.455	55%	0.552	S	S	.	*	H	α-helix	trans	-64.3	-41.9	175.7	0	0	0	0	0	112.2	A322 V323 L324 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.43Å; A322-A326 PolarHBondContact O-N 2.88Å; V323-A326 PolarHBondContact O-N 2.9Å; L324-A326 PolarHBondContact O-N 2.94Å; A326-A329 PolarHBondContact O-N 3.24Å; A326-V330 VanDerWaalsContact O-CG2 3.3Å; A326-V330 WeakPolarHBondContact O-CG2 3.47Å; A326-V330 PolarHBondContact O-N 3.45Å
327	V	77.5	Confident	73.2	Confident	81 Å²	81	99.1 Å²	99.1	49%	0.491	56%	0.563	S	S	.	*	H	α-helix	trans	-63.1	-44.9	176.4	171.6	0	0	0	0	110.9	V323 L324 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.48Å; V323-V327 VanDerWaalsContact O-CG2 3.29Å; V323-V327 WeakPolarHBondContact O-CG2 3.42Å; V323-V327 PolarHBondContact O-N 3.22Å; L324-V327 PolarHBondContact O-N 3.07Å; V327-V330 PolarHBondContact O-N 3.43Å; V327-V331 HydrophobicContact CG1-CG2 4.36Å; V327-V331 WeakPolarHBondContact O-CB 3.42Å; V327-V331 VanDerWaalsContact O-CG2 3.26Å; V327-V331 WeakPolarHBondContact O-CG2 3.49Å; V327-V331 PolarHBondContact O-N 2.8Å
328	V	76	Confident	71.5	Confident	84 Å²	84	99.9 Å²	99.9	51%	0.509	57%	0.572	S	S	.	*	H	α-helix	trans	-62	-44.2	176.3	172.1	0	0	0	0	111	L324 G325 V330 V331 M332	L324-V328 WeakPolarHBondContact O-CG2 3.3Å; L324-V328 PolarHBondContact O-N 2.7Å; G325-V328 PolarHBondContact O-N 3.2Å; V328-V330 PolarHBondContact O-N 3.28Å; V328-V331 PolarHBondContact O-N 3.2Å; V328-M332 HydrophobicContact CG1-CG 4.37Å; V328-M332 HydrophobicContact CG1-SD 4.18Å; V328-M332 WeakPolarHBondContact O-CB 3.49Å; V328-M332 WeakPolarHBondContact O-CG 3.45Å; V328-M332 PolarHBondContact O-N 3.37Å
329	A	72.4	Confident	69.7	Low	54 Å²	54	97.6 Å²	97.6	45%	0.446	58%	0.576	S	S	.	*	H	α-helix	trans	-60.8	-43.3	176.5	0	0	0	0	0	112.1	G325 A326 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.28Å; G325-A329 PolarHBondContact O-N 3.27Å; A326-A329 PolarHBondContact O-N 3.24Å; A329-M332 PolarHBondContact O-N 3.01Å; A329-C333 WeakPolarHBondContact O-CB 3.39Å; A329-C333 PolarHBondContact O-N 2.86Å; A329-C333 PolarHBondContact O-SG 3.14Å
330	V	72.4	Confident	67.4	Low	79 Å²	79	99 Å²	99	48%	0.479	60%	0.596	S	S	.	*	H	α-helix	trans	-65.3	-41.5	176.1	170.4	0	0	0	0	111.6	A326 V327 V328 C333 R334	A326-V330 VanDerWaalsContact O-CG2 3.3Å; A326-V330 WeakPolarHBondContact O-CG2 3.47Å; A326-V330 PolarHBondContact O-N 3.45Å; V327-V330 PolarHBondContact O-N 3.43Å; V328-V330 PolarHBondContact O-N 3.28Å; V330-C333 PolarHBondContact O-N 3.08Å; V330-R334 WeakPolarHBondContact O-CB 3.36Å; V330-R334 WeakPolarHBondContact O-CG 3.4Å; V330-R334 PolarHBondContact O-N 3.05Å
331	V	72.4	Confident	65	Low	80 Å²	80	105.4 Å²	105.4	49%	0.485	62%	0.617	S	S	.	*	H	α-helix	trans	-66.8	-39.5	177.4	170.9	0	0	0	0	111.3	V327 V328 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.36Å; V327-V331 WeakPolarHBondContact O-CB 3.42Å; V327-V331 VanDerWaalsContact O-CG2 3.26Å; V327-V331 WeakPolarHBondContact O-CG2 3.49Å; V327-V331 PolarHBondContact O-N 2.8Å; V328-V331 PolarHBondContact O-N 3.2Å; V331-R334 PolarHBondContact O-N 3.3Å; V331-R335 WeakPolarHBondContact O-CB 3.46Å; V331-R335 PolarHBondContact O-N 3.24Å
332	M	70.9	Confident	62.6	Low	130 Å²	130	104.4 Å²	104.4	64%	0.64	63%	0.631	S	S	*	*	H	α-helix	trans	-67.2	-40.8	174.3	-73	-171.1	72.7	0	0	112.2	V328 A329 R334 R335 K336	V328-M332 HydrophobicContact CG1-CG 4.37Å; V328-M332 HydrophobicContact CG1-SD 4.18Å; V328-M332 WeakPolarHBondContact O-CB 3.49Å; V328-M332 WeakPolarHBondContact O-CG 3.45Å; V328-M332 PolarHBondContact O-N 3.37Å; A329-M332 PolarHBondContact O-N 3.01Å; M332-R334 VanDerWaalsContact C-N 3.31Å; M332-R334 PolarHBondContact O-N 3.38Å; M332-R335 PolarHBondContact O-N 3.08Å; M332-K336 WeakPolarHBondContact O-CB 3.24Å; M332-K336 PolarHBondContact O-N 3.05Å
333	C	61	Low	60.2	Low	91 Å²	91	105.5 Å²	105.5	62%	0.615	65%	0.649	S	S	*	*	H	α-helix	trans	-63.7	-35.1	172.8	-78.8	0	0	0	0	112.4	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.39Å; A329-C333 PolarHBondContact O-N 2.86Å; A329-C333 PolarHBondContact O-SG 3.14Å; V330-C333 PolarHBondContact O-N 3.08Å; C333-K336 PolarHBondContact O-N 3.27Å; C333-S337 PolarHBondContact O-N 3.16Å; C333-S337 PolarHBondContact O-OG 2.89Å
334	R	59.6	Low	58	Low	188 Å²	188	106.1 Å²	106.1	71%	0.709	66%	0.658	S	S	*	*	H	α-helix	trans	-72.7	-34.9	173.6	-79.7	-173.6	148	157.4	-3.2	113.3	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.36Å; V330-R334 WeakPolarHBondContact O-CG 3.4Å; V330-R334 PolarHBondContact O-N 3.05Å; V331-R334 PolarHBondContact O-N 3.3Å; M332-R334 VanDerWaalsContact C-N 3.31Å; M332-R334 PolarHBondContact O-N 3.38Å; R334-K336 VanDerWaalsContact C-N 3.34Å; R334-S337 WeakPolarHBondContact CA-OG 3.47Å; R334-S337 PolarHBondContact O-OG 2.76Å
335	R	56.5	Low	55.7	Low	210 Å²	210	106.9 Å²	106.9	79%	0.792	67%	0.67	S	S	*	*	H	α-helix	trans	-69	-31.2	172	-107.4	-178.6	169.5	174.7	-2.5	112.7	V331 M332	V331-R335 WeakPolarHBondContact O-CB 3.46Å; V331-R335 PolarHBondContact O-N 3.24Å; M332-R335 PolarHBondContact O-N 3.08Å
336	K	49.9	Very low	53.4	Low	186 Å²	186	110.1 Å²	110.1	81%	0.809	69%	0.686	S	S	*	*	H	α-helix	trans	-82.3	-13.6	179.3	-162.9	169	179.9	179.2	0	113.7	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.24Å; M332-K336 PolarHBondContact O-N 3.05Å; C333-K336 PolarHBondContact O-N 3.27Å; R334-K336 VanDerWaalsContact C-N 3.34Å
337	S	51.4	Low	51.5	Low	96 Å²	96	116.8 Å²	116.8	67%	0.671	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	3	178.7	41.9	0	0	0	0	114.6	C333 R334	C333-S337 PolarHBondContact O-N 3.16Å; C333-S337 PolarHBondContact O-OG 2.89Å; R334-S337 WeakPolarHBondContact CA-OG 3.47Å; R334-S337 PolarHBondContact O-OG 2.76Å
338	S	48.9	Very low	49.3	Very low	103 Å²	103	117.8 Å²	117.8	72%	0.72	73%	0.725	S	S	*	*	S	Bend	trans	-107.3	22.4	176.4	75.5	0	0	0	0	114.5
339	G	43.9	Very low	47.2	Very low	66 Å²	66	118 Å²	118	68%	0.68	74%	0.735	S	S	*	*	S	Bend	trans	-163.8	108.3	174.6	0	0	0	0	0	113.2
340	G	35.6	Very low	45.3	Very low	87 Å²	87	120.4 Å²	120.4	90%	0.897	75%	0.749	S	S	*	*			trans	128.9	107.2	159.6	0	0	0	0	0	115.2
341	K	34.3	Very low	43.4	Very low	220 Å²	220	122.2 Å²	122.2	96%	0.957	77%	0.765	S	S	*	*			trans	-91.9	139.8	177.9	-174	165.1	179.6	172.6	0	109.4
342	G	33.3	Very low	41.7	Very low	82 Å²	82	126.3 Å²	126.3	85%	0.845	78%	0.784	S	S	*	*			trans	121.8	131.1	152.2	0	0	0	0	0	117.2
343	G	30.8	Very low	40.1	Very low	88 Å²	88	125.6 Å²	125.6	91%	0.907	79%	0.791	S	S	*	*			trans	132.5	110.5	156.6	0	0	0	0	0	115
344	S	34.7	Very low	38.9	Very low	108 Å²	108	125.6 Å²	125.6	76%	0.755	80%	0.798	S	S	*	*			trans	-99.9	154.2	-177.2	173	0	0	0	0	112.7
345	C	30.5	Very low	37.9	Very low	115 Å²	115	126.2 Å²	126.2	78%	0.777	81%	0.809	S	S	*	*			trans	50.8	142.5	159.3	-70.9	0	0	0	0	118.7
346	S	31.1	Very low	36.6	Very low	109 Å²	109	119.7 Å²	119.7	76%	0.762	81%	0.808	S	S	*	*			cis	-166.3	154.9	39.5	-31.2	0	0	0	0	111.1
347	Q	39.2	Very low	35.9	Very low	196 Å²	196	116.8 Å²	116.8	92%	0.916	81%	0.811	S	S	*	*			trans	9.3	127.8	143.5	-148.9	164.2	8.3	0	0	119.4
348	A	31.3	Very low	35.2	Very low	102 Å²	102	120.2 Å²	120.2	84%	0.843	82%	0.821	S	S	*	*			trans	-139.5	136.6	158.7	0	0	0	0	0	110.9
349	A	31.5	Very low	34.3	Very low	88 Å²	88	124.2 Å²	124.2	73%	0.727	83%	0.829	S	S	*	*			trans	-89.2	160.6	-172.2	0	0	0	0	0	113.2
350	S	32.1	Very low	33.7	Very low	105 Å²	105	126.9 Å²	126.9	73%	0.734	84%	0.837	S	S	*	*			trans	18.7	133.9	144.9	61.4	0	0	0	0	118.4
351	S	33.4	Very low	33.7	Very low	116 Å²	116	129.8 Å²	129.8	81%	0.811	83%	0.831	S	S	*	*				173.6	150.2	74.4	38.1	0	0	0	0	110.2
352	N	35.6	Very low	33.6	Very low	166 Å²	166	127.1 Å²	127.1	89%	0.888	83%	0.825	S	S	*	*			trans	-85.1	154.8	178.3	-77.5	-30.3	0	0	0	112.6
353	S	38.7	Very low	33.5	Very low	115 Å²	115	127.8 Å²	127.8	80%	0.804	82%	0.823	S	S	*	*			trans	-166.1	122	142.8	32.4	0	0	0	0	106.3
354	A	35.7	Very low	33.4	Very low	92 Å²	92	129.3 Å²	129.3	76%	0.76	82%	0.819	S	S	*	*			cis	100.9	107.4	41.8	0	0	0	0	0	112.1
355	Q	37.2	Very low	33.3	Very low	200 Å²	200	133.7 Å²	133.7	94%	0.935	82%	0.824	S	S	*	*			trans	162.3	110.8	142.7	-96.9	167.8	-23.5	0	0	107.4
356	G	30	Very low	33.4	Very low	74 Å²	74	136.5 Å²	136.5	76%	0.763	86%	0.856	S	S	*	*				97.5	122.9	76.7	0	0	0	0	0	107
357	S	35.6	Very low	33.5	Very low	124 Å²	124	137.9 Å²	137.9	87%	0.867	86%	0.86	S	S	*	*			cis	-162.2	141.5	38.3	-46.8	0	0	0	0	109.4
358	D	35.6	Very low	33.2	Very low	168 Å²	168	134.8 Å²	134.8	90%	0.898	86%	0.857	S	S	*	*			trans	-116.6	136.2	161.5	-99.4	-28	0	0	0	107.6
359	E	30.7	Very low	33.3	Very low	188 Å²	188	136.7 Å²	136.7	88%	0.879	86%	0.858	S	S	*	*			trans	-136.7	105.1	158.1	-125	-166.3	166.2	0	0	109.1
360	S	31.2	Very low	33.5	Very low	121 Å²	121	139.5 Å²	139.5	85%	0.846	87%	0.866	S	S	*	*			trans	-146.3	124.2	142.6	61.1	0	0	0	0	109
361	L	35.5	Very low	33.5	Very low	148 Å²	148	141.7 Å²	141.7	78%	0.775	87%	0.874	S	S	*	*			trans	-64.3	147	-179.1	-76.8	147.6	0	0	0	112
362	I	33.1	Very low	33.6	Very low	164 Å²	164	143.4 Å²	143.4	84%	0.841	88%	0.878	S	S	*	*				-167.4	116.1	122.1	-88.9	147.4	0	0	0	107.7
363	A	30.8	Very low	33.4	Very low	97 Å²	97	141.8 Å²	141.8	80%	0.802	88%	0.878	S	S	*	*			trans	-100.2	141.9	163.8	0	0	0	0	0	108.6
364	C	29.1	Very low	33	Very low	120 Å²	120	143.8 Å²	143.8	81%	0.811	88%	0.883	S	S	*	*			trans	-130.3	146.3	169.6	-109.6	0	0	0	0	109.9
365	K	31.2	Very low	32.8	Very low	200 Å²	200	148.2 Å²	148.2	87%	0.87	89%	0.894	S	S	*	*			trans	84.1	116	168.1	-73.5	178.7	172.7	177.7	0	118.3
366	A	33.4	Very low	32.4	Very low	174 Å²	174	143.5 Å²	143.5	100%	1.438	89%	0.89	S	S	*	*				-127.6	0	80.1	0	0	0	0	0	109.6

Retrieved 366 of 366 residues in 159.2 ms (Link to these results)

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