A0A090KF09_HUMAN Loading...

HLA class I antigen

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

AlphaFold DB , UniProt , Accession A0A090KF09, 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	34.8	Very low	43.7	Very low	239 Å²	239	143.4 Å²	143.4	100%	1.177	72%	0.717	S	S	*	*				0	103.2	0	-75.8	160.3	127.3	0	0	108.2	V3	M1-V3 PolarHBondContact O-N 3.18Å
2	R	34.1	Very low	43.8	Very low	252 Å²	252	142.4 Å²	142.4	95%	0.951	72%	0.715	S	S	*	*			trans	-79.6	110.7	170.6	-91.5	179.5	172.5	164.4	-2.5	106.9	M4	R2-M4 PolarHBondContact O-N 3.04Å
3	V	37.9	Very low	43.5	Very low	140 Å²	140	139.5 Å²	139.5	85%	0.848	70%	0.702	S	S	*	*			trans	-69.6	102	171.5	179	0	0	0	0	106.5	M1 A5	M1-V3 PolarHBondContact O-N 3.18Å; V3-A5 PolarHBondContact O-N 2.94Å
4	M	40.6	Very low	43.5	Very low	176 Å²	176	134 Å²	134	87%	0.867	68%	0.683	S	S	*	*			trans	-82.7	100.1	177	-155.5	167.1	64.8	0	0	106.5	R2	R2-M4 PolarHBondContact O-N 3.04Å
5	A	45.6	Very low	43.4	Very low	56 Å²	56	127.4 Å²	127.4	46%	0.463	66%	0.662	S	S	.	*			trans	-57.7	138.1	174.5	0	0	0	0	0	109.2	V3 R7	V3-A5 PolarHBondContact O-N 2.94Å; A5-R7 PolarHBondContact O-N 3.21Å
6	P	45	Very low	43.1	Very low	73 Å²	73	122.7 Å²	122.7	47%	0.474	65%	0.647	S	S	.	*			trans	-61.6	127.9	-177.8	-16.1	28.6	0	0	0	109.6	T8 L9	P6-T8 WeakPolarHBondContact CB-OG1 3.33Å; P6-T8 PolarHBondContact O-N 3.18Å; P6-L9 WeakPolarHBondContact O-CB 3.35Å; P6-L9 PolarHBondContact O-N 3.49Å
7	R	49.9	Very low	42.7	Very low	220 Å²	220	122.1 Å²	122.1	83%	0.83	64%	0.644	S	S	*	*	H	α-helix	trans	-52.6	-23.1	176.3	-85.4	176.7	162.3	151.9	-6.2	113.4	A5 L11	A5-R7 PolarHBondContact O-N 3.21Å; R7-L11 PolarHBondContact O-N 3.22Å
8	T	49	Very low	42.4	Very low	97 Å²	97	118.4 Å²	118.4	60%	0.595	63%	0.634	S	S	*	*	H	α-helix	trans	-68.6	-33	173.6	36.3	0	0	0	0	113.8	P6 L12	P6-T8 WeakPolarHBondContact CB-OG1 3.33Å; P6-T8 PolarHBondContact O-N 3.18Å; T8-L12 WeakPolarHBondContact O-CG 3.2Å; T8-L12 PolarHBondContact O-N 2.88Å
9	L	43.8	Very low	42.1	Very low	102 Å²	102	117.4 Å²	117.4	53%	0.534	63%	0.628	S	S	.	*	H	α-helix	trans	-72.2	-35.2	178.3	-133.6	99	0	0	0	111.7	P6 L13	P6-L9 WeakPolarHBondContact O-CB 3.35Å; P6-L9 PolarHBondContact O-N 3.49Å; L9-L13 WeakPolarHBondContact O-CD1 3.37Å; L9-L13 PolarHBondContact O-N 3.37Å; L9-L13 VanDerWaalsContact O-N 3.16Å
10	I	49.5	Very low	41.8	Very low	97 Å²	97	116.4 Å²	116.4	50%	0.497	63%	0.626	S	S	.	*	H	α-helix	trans	-70.3	-38.9	178.9	-63.6	171.5	0	0	0	110.7	L13 S14	I10-L13 PolarHBondContact O-N 2.8Å; I10-S14 WeakPolarHBondContact O-CB 3.43Å; I10-S14 PolarHBondContact O-N 3.03Å; I10-S14 PolarHBondContact O-OG 3.35Å
11	L	50.8	Low	41.6	Very low	125 Å²	125	118.6 Å²	118.6	65%	0.654	63%	0.633	S	S	*	*	H	α-helix	trans	-68.1	-38.3	176.6	-75.8	164.7	0	0	0	112.8	R7 S14 G15	R7-L11 PolarHBondContact O-N 3.22Å; L11-S14 PolarHBondContact O-N 2.94Å; L11-G15 PolarHBondContact O-N 2.92Å
12	L	44.9	Very low	42	Very low	132 Å²	132	111.9 Å²	111.9	69%	0.691	61%	0.605	S	S	*	*	H	α-helix	trans	-66	-39.3	175.1	-77	164.3	0	0	0	112.3	T8 S14 A16	T8-L12 WeakPolarHBondContact O-CG 3.2Å; T8-L12 PolarHBondContact O-N 2.88Å; L12-S14 VanDerWaalsContact C-N 3.33Å; L12-A16 WeakPolarHBondContact O-CB 3.41Å; L12-A16 PolarHBondContact O-N 2.95Å; L12-A16 VanDerWaalsContact O-N 3.08Å
13	L	39.3	Very low	42.8	Very low	104 Å²	104	104 Å²	104	55%	0.545	58%	0.576	S	S	.	*	H	α-helix	trans	-67.6	-33.2	173.7	-79	159.1	0	0	0	112.3	L9 I10 L17	L9-L13 WeakPolarHBondContact O-CD1 3.37Å; L9-L13 PolarHBondContact O-N 3.37Å; L9-L13 VanDerWaalsContact O-N 3.16Å; I10-L13 PolarHBondContact O-N 2.8Å; L13-L17 WeakPolarHBondContact O-CB 3.25Å; L13-L17 WeakPolarHBondContact O-CD1 3.12Å; L13-L17 WeakPolarHBondContact O-CG 3.34Å; L13-L17 PolarHBondContact O-N 3.45Å
14	S	43.5	Very low	43.6	Very low	63 Å²	63	99.7 Å²	99.7	44%	0.441	55%	0.554	S	S	.	*	H	α-helix	trans	-70.3	-39.9	177.5	-50.7	0	0	0	0	112.2	I10 L11 L12 A18	I10-S14 WeakPolarHBondContact O-CB 3.43Å; I10-S14 PolarHBondContact O-N 3.03Å; I10-S14 PolarHBondContact O-OG 3.35Å; L11-S14 PolarHBondContact O-N 2.94Å; L12-S14 VanDerWaalsContact C-N 3.33Å; S14-A18 WeakPolarHBondContact O-CB 3.4Å; S14-A18 PolarHBondContact O-N 3.04Å; S14-A18 VanDerWaalsContact O-N 3.09Å
15	G	41.7	Very low	45.1	Very low	35 Å²	35	94.3 Å²	94.3	36%	0.361	53%	0.533	S	S	.	.	H	α-helix	trans	-68.6	-39.4	175	0	0	0	0	0	112.7	L11 L19	L11-G15 PolarHBondContact O-N 2.92Å; G15-L19 WeakPolarHBondContact O-CB 3.48Å; G15-L19 WeakPolarHBondContact O-CD1 3.38Å; G15-L19 WeakPolarHBondContact O-CG 3.35Å; G15-L19 PolarHBondContact O-N 3.08Å
16	A	39.2	Very low	47.3	Very low	52 Å²	52	95 Å²	95	43%	0.43	54%	0.535	S	S	.	.	H	α-helix	trans	-67.4	-39.5	175.6	0	0	0	0	0	112.6	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.41Å; L12-A16 PolarHBondContact O-N 2.95Å; L12-A16 VanDerWaalsContact O-N 3.08Å; A16-L19 PolarHBondContact O-N 2.91Å; A16-T20 WeakPolarHBondContact O-CG2 3.28Å; A16-T20 PolarHBondContact O-N 2.72Å; A16-T20 PolarHBondContact O-OG1 2.97Å
17	L	36.1	Very low	49.7	Very low	112 Å²	112	93 Å²	93	59%	0.586	52%	0.519	S	S	*	.	H	α-helix	trans	-67.4	-38.5	176.4	-80.9	159.9	0	0	0	112.4	L13 L19 T20 E21	L13-L17 WeakPolarHBondContact O-CB 3.25Å; L13-L17 WeakPolarHBondContact O-CD1 3.12Å; L13-L17 WeakPolarHBondContact O-CG 3.34Å; L13-L17 PolarHBondContact O-N 3.45Å; L17-L19 VanDerWaalsContact C-N 3.34Å; L17-T20 WeakPolarHBondContact CA-OG1 3.28Å; L17-T20 PolarHBondContact O-N 2.67Å; L17-T20 PolarHBondContact O-OG1 2.81Å; L17-E21 PolarHBondContact O-N 3.06Å; L17-E21 VanDerWaalsContact O-N 3.14Å
18	A	37.3	Very low	51.9	Low	57 Å²	57	83.6 Å²	83.6	47%	0.471	49%	0.487	S	S	.	.	H	α-helix	trans	-67.5	-32.5	174.2	0	0	0	0	0	112.9	S14 T22	S14-A18 WeakPolarHBondContact O-CB 3.4Å; S14-A18 PolarHBondContact O-N 3.04Å; S14-A18 VanDerWaalsContact O-N 3.09Å; A18-T22 PolarHBondContact O-OG1 3.35Å
19	L	36.8	Very low	54.3	Low	99 Å²	99	79 Å²	79	52%	0.518	46%	0.459	S	S	.	.	H	α-helix	trans	-72.9	-29.2	174.3	-85.7	156.9	0	0	0	112.8	G15 A16 L17 T22	G15-L19 WeakPolarHBondContact O-CB 3.48Å; G15-L19 WeakPolarHBondContact O-CD1 3.38Å; G15-L19 WeakPolarHBondContact O-CG 3.35Å; G15-L19 PolarHBondContact O-N 3.08Å; A16-L19 PolarHBondContact O-N 2.91Å; L17-L19 VanDerWaalsContact C-N 3.34Å; L19-T22 PolarHBondContact O-OG1 2.95Å
20	T	36.3	Very low	56.9	Low	96 Å²	96	76.4 Å²	76.4	59%	0.589	44%	0.442	S	S	*	.	H	α-helix	trans	-81.8	-27	176.6	50	0	0	0	0	114.1	A16 L17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.28Å; A16-T20 PolarHBondContact O-N 2.72Å; A16-T20 PolarHBondContact O-OG1 2.97Å; L17-T20 WeakPolarHBondContact CA-OG1 3.28Å; L17-T20 PolarHBondContact O-N 2.67Å; L17-T20 PolarHBondContact O-OG1 2.81Å; T20-T22 VanDerWaalsContact C-N 3.34Å
21	E	37.3	Very low	59.2	Low	164 Å²	164	72.1 Å²	72.1	77%	0.766	42%	0.42	S	S	*	.	H	α-helix	trans	-74.8	-21.1	179	-93.7	-172	159.6	0	0	113.7	L17 W23	L17-E21 PolarHBondContact O-N 3.06Å; L17-E21 VanDerWaalsContact O-N 3.14Å; E21-W23 PolarHBondContact O-N 3.06Å
22	T	43.1	Very low	61.5	Low	98 Å²	98	70.1 Å²	70.1	60%	0.601	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-11.1	-175.1	41.5	0	0	0	0	114.6	A18 L19 T20	A18-T22 PolarHBondContact O-OG1 3.35Å; L19-T22 PolarHBondContact O-OG1 2.95Å; T20-T22 VanDerWaalsContact C-N 3.34Å
23	W	52	Low	64.1	Low	87 Å²	87	64.3 Å²	64.3	33%	0.33	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	25.4	-179.2	-60.9	93	0	0	0	113	E21 C25 Q286 E288	E21-W23 PolarHBondContact O-N 3.06Å; W23-C25 PolarHBondContact O-N 3.24Å; W23-Q286 HydrophobicContact CZ2-CB 4.26Å; W23-E288 HydrophobicContact CD2-CB 4.48Å; W23-E288 HydrophobicContact CE3-CB 3.34Å; W23-E288 HydrophobicContact CE3-CG 3.61Å; W23-E288 HydrophobicContact CH2-CB 4.31Å; W23-E288 HydrophobicContact CZ3-CB 3.28Å; W23-E288 HydrophobicContact CZ3-CG 4.08Å
24	A	54.3	Low	66.9	Low	48 Å²	48	61.2 Å²	61.2	40%	0.397	36%	0.36	S	S	.	.	S	Bend	trans	-71.1	105.1	170.2	0	0	0	0	0	107.5	S26 P129	A24-S26 PolarHBondContact O-N 2.88Å; A24-P129 HydrophobicContact CB-CB 4.47Å; A24-P129 HydrophobicContact CB-CG 3.38Å
25	C	72.2	Confident	69.6	Low	63 Å²	63	58.3 Å²	58.3	43%	0.426	34%	0.34	S	S	.	.			trans	-46.5	102.9	-175	-63.5	0	0	0	0	110.7	W23 P129 E288	W23-C25 PolarHBondContact O-N 3.24Å; C25-P129 WeakPolarHBondContact O-CA 3.26Å; C25-E288 PolarHBondContact SG-OE1 3.48Å
26	S	90.6	Very high	72.3	Confident	71 Å²	71	59 Å²	59	50%	0.497	34%	0.337	S	S	.	.			trans	-105.6	148	173.7	66.3	0	0	0	0	107.5	A24 L127	A24-S26 PolarHBondContact O-N 2.88Å; S26-L127 VanDerWaalsContact CA-O 3.3Å; S26-L127 WeakPolarHBondContact CA-O 3.21Å; S26-L127 WeakPolarHBondContact CB-O 3.5Å
27	H	95.2	Very high	75.1	Confident	31 Å²	31	57.4 Å²	57.4	14%	0.144	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	148.3	-178.4	-68.3	-73.4	0	0	0	110.1	D53 D126 L127 L192 L196	H27-D53 WeakPolarHBondContact CA-OD1 3.3Å; H27-D53 IonicContact CE1-OD2 3.16Å; H27-D53 IonicContact CG-OD2 2.75Å; H27-D53 IonicContact ND1-OD1 3.45Å; H27-D53 IonicContact ND1-OD2 3.01Å; H27-D53 PolarHBondContact ND1-OD2 2.95Å; H27-D126 CarbonylContact O-C 3.6Å; H27-D126 WeakPolarHBondContact O-CA 3.34Å; H27-L127 PolarHBondContact N-O 3.46Å; H27-L127 VanDerWaalsContact N-O 3.1Å; H27-L127 PolarHBondContact O-N 3.31Å; H27-L192 HydrophobicContact CB-CD1 4.45Å; H27-L196 HydrophobicContact CB-CD1 3.69Å; H27-L196 HydrophobicContact CB-CD2 4Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.13Å
28	S	97.4	Very high	78	Confident	23 Å²	23	55.8 Å²	55.8	16%	0.161	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	149.7	179.4	68.6	0	0	0	0	111.7	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.28Å; S28-V52 WeakPolarHBondContact O-CA 3.28Å; S28-D53 PolarHBondContact N-OD1 3.33Å; S28-D53 PolarHBondContact O-N 3.03Å; S28-C125 WeakPolarHBondContact CA-O 3.34Å; S28-D126 WeakPolarHBondContact CB-OD1 3.38Å
29	M	98.6	Very high	80.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120.2	166.2	-176.1	172.6	58.3	0	0	108	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.22Å; 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 4.36Å; M29-F57 HydrophobicContact CG-CE1 4.45Å; M29-F57 HydrophobicContact SD-CZ 4.45Å; M29-G124 CarbonylContact O-C 3.59Å; M29-G124 WeakPolarHBondContact O-CA 3.48Å; M29-C125 PolarHBondContact N-O 3.29Å; M29-C125 PolarHBondContact O-N 2.81Å; M29-C188 HydrophobicContact CE-CB 4.19Å; M29-C188 WeakPolarHBondContact CE-O 3.46Å; M29-C188 WeakPolarHBondContact CE-SG 3.42Å; M29-W191 HydrophobicContact CE-CB 4.04Å; M29-W191 HydrophobicContact SD-CB 4.42Å; M29-L192 HydrophobicContact CB-CB 4.07Å; M29-L192 HydrophobicContact CB-CD1 4.05Å; M29-L192 HydrophobicContact CB-CD2 3.97Å; M29-L192 HydrophobicContact CB-CG 4.25Å; M29-L192 HydrophobicContact CE-CB 4.3Å; M29-Y195 HydrophobicContact SD-CD2 3.75Å; M29-Y195 HydrophobicContact SD-CE2 3.6Å
30	R	98.6	Very high	83.3	Confident	48 Å²	48	55.3 Å²	55.3	18%	0.181	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	134.8	-176.3	-57	-64.1	-178.1	78.2	3.3	110.6	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.44Å; R30-F32 HydrophobicContact CB-CE2 3.61Å; R30-F32 HydrophobicContact CB-CZ 3.91Å; R30-G50 CarbonylContact O-C 3.56Å; R30-G50 WeakPolarHBondContact O-CA 3.47Å; R30-Y51 PolarHBondContact N-O 2.96Å; R30-Y51 PolarHBondContact O-N 3.19Å; R30-D126 IonicContact CZ-OD1 3.27Å; R30-D126 IonicContact NE-OD1 2.75Å; R30-D126 PolarHBondContact NE-OD1 3.34Å; R30-D126 VanDerWaalsContact NE-OD1 3.16Å; R30-D126 VanDerWaalsContact NH2-CG 3.29Å; R30-D126 IonicContact NH2-OD1 3.5Å; R30-D126 PolarHBondContact NH2-OD1 2.99Å; R30-D126 IonicContact NH2-OD2 3.56Å; R30-D126 PolarHBondContact NH2-OD2 3.34Å; R30-Y137 PolarHBondContact NH2-OH 3.27Å
31	Y	98.8	Very high	86	Confident	6 Å²	6	60.7 Å²	60.7	2%	0.024	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134.8	169.6	-69.4	-93.1	0	0	0	109.5	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.22Å; M29-Y31 HydrophobicContact CG-CE2 4.03Å; M29-Y31 HydrophobicContact SD-CE2 3.97Å; Y31-Y33 HydrophobicContact CD1-CE1 4.22Å; Y31-Y33 HydrophobicContact CG-CE1 4.47Å; Y31-V49 CarbonylContact C-O 3.54Å; Y31-V49 WeakPolarHBondContact CA-O 3.35Å; Y31-F57 HydrophobicContact CE1-CZ 4Å; Y31-F57 AromaticContact CZ-CZ 3.78Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.48Å; Y31-V58 HydrophobicContact CE1-CG1 4.04Å; Y31-M122 WeakPolarHBondContact O-CA 3.41Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.46Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.47Å; Y31-Y123 HydrophobicContact CD2-CD2 4.45Å; Y31-Y123 AromaticContact CD2-CE2 3.65Å; Y31-Y123 HydrophobicContact CD2-CE2 3.65Å; Y31-Y123 AromaticContact CD2-CZ 3.67Å; Y31-Y123 HydrophobicContact CE2-CE2 4.37Å; Y31-Y123 HydrophobicContact CG-CE1 4.15Å; Y31-Y123 HydrophobicContact CG-CE2 4.1Å; Y31-Y123 AromaticContact CG-CZ 3.63Å; Y31-Y123 PolarHBondContact N-O 3.5Å; Y31-Y123 PolarHBondContact O-N 3.15Å; Y31-Y123 VanDerWaalsContact O-N 3.11Å
32	F	98.9	Very high	88.6	Confident	84 Å²	84	55.5 Å²	55.5	37%	0.368	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	116.9	177.4	-57.1	-94.4	0	0	0	109	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.44Å; R30-F32 HydrophobicContact CB-CE2 3.61Å; R30-F32 HydrophobicContact CB-CZ 3.91Å; F32-A48 WeakPolarHBondContact O-CA 3.42Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 3.05Å; F32-V49 PolarHBondContact O-N 3.41Å; F32-Y51 HydrophobicContact CD2-CD2 4.11Å; F32-Y51 HydrophobicContact CE2-CD2 4.13Å; F32-R121 WeakPolarHBondContact CA-O 3.29Å; F32-M122 HydrophobicContact CD1-CB 3.98Å; F32-M122 HydrophobicContact CD1-CG 3.67Å; F32-M122 HydrophobicContact CE1-CB 4.12Å; F32-M122 HydrophobicContact CE1-CG 3.4Å; F32-M122 HydrophobicContact CZ-CG 4.03Å
33	Y	98.8	Very high	91.1	Very high	9 Å²	9	55.1 Å²	55.1	4%	0.035	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	137.3	177.5	-59.3	-12.3	0	0	0	109.3	Y31 F46 I47 A48 Y91 Q94 Q120 R121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.22Å; Y31-Y33 HydrophobicContact CG-CE1 4.47Å; Y33-F46 HydrophobicContact CD1-CZ 4.27Å; Y33-F46 HydrophobicContact CD2-CE2 4.25Å; Y33-F46 AromaticContact CD2-CZ 3.96Å; Y33-F46 HydrophobicContact CD2-CZ 3.96Å; Y33-F46 HydrophobicContact CE2-CZ 4.39Å; Y33-F46 HydrophobicContact CG-CE2 4.15Å; Y33-F46 AromaticContact CG-CZ 3.85Å; Y33-F46 HydrophobicContact CG-CZ 3.85Å; Y33-I47 CarbonylContact C-O 3.6Å; Y33-I47 WeakPolarHBondContact CA-O 3.34Å; Y33-A48 HydrophobicContact CD1-CB 3.33Å; Y33-A48 HydrophobicContact CE1-CB 3.45Å; Y33-A48 VanDerWaalsContact CE1-CB 3.45Å; Y33-A48 HydrophobicContact CG-CB 4.27Å; Y33-Y91 HydrophobicContact CE1-CD1 4.25Å; Y33-Y91 AromaticContact CE1-CE1 3.89Å; Y33-Y91 HydrophobicContact CE1-CE1 3.89Å; Y33-Y91 AromaticContact CZ-CE1 4Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.36Å; Y33-Q94 HydrophobicContact CD2-CG 3.58Å; Y33-Q94 HydrophobicContact CE2-CB 4.35Å; Y33-Q94 HydrophobicContact CE2-CG 3.63Å; Y33-Q120 CarbonylContact O-C 3.55Å; Y33-Q120 VanDerWaalsContact O-CA 3.27Å; Y33-Q120 WeakPolarHBondContact O-CA 3.22Å; Y33-R121 PolarHBondContact N-O 2.97Å; Y33-R121 PolarHBondContact O-N 2.75Å; Y33-Y123 HydrophobicContact CD2-CE1 4.14Å; Y33-Y123 HydrophobicContact CE1-CE1 4.05Å; Y33-Y123 AromaticContact CE2-CE1 3.56Å; Y33-Y123 HydrophobicContact CE2-CE1 3.56Å; Y33-Y123 AromaticContact CZ-CE1 3.53Å; Y33-Y123 AromaticContact CZ-CZ 3.94Å; Y33-Y123 PolarHBondContact OH-OH 3.13Å
34	T	98.9	Very high	93.3	Very high	40 Å²	40	52.2 Å²	52.2	25%	0.245	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	122.1	176.5	-56.9	0	0	0	0	109.2	V36 F46 I47 T118 Q120	T34-V36 HydrophobicContact CG2-CG2 3.95Å; T34-F46 WeakPolarHBondContact O-CA 3.33Å; T34-I47 PolarHBondContact N-O 3.09Å; T34-I47 PolarHBondContact O-N 2.82Å; T34-T118 HydrophobicContact CG2-CG2 3.98Å; T34-Q120 HydrophobicContact CG2-CG 4.06Å
35	A	98.8	Very high	95.4	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.008	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.8	173.5	0	0	0	0	0	109.8	R45 F46 D98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.52Å; A35-R45 VanDerWaalsContact CA-O 3.29Å; A35-R45 WeakPolarHBondContact CA-O 3.34Å; A35-F46 HydrophobicContact CB-CD2 4.25Å; A35-D98 HydrophobicContact CB-CB 3.72Å; A35-L102 HydrophobicContact CB-CD1 3.89Å; A35-T118 WeakPolarHBondContact O-CA 3.31Å; A35-L119 HydrophobicContact CB-CB 4.46Å; A35-L119 PolarHBondContact N-O 3.33Å; A35-L119 PolarHBondContact O-N 3.26Å
36	V	98.6	Very high	96.6	Very high	51 Å²	51	51.7 Å²	51.7	31%	0.309	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	114.5	-178.6	-173.3	0	0	0	0	109.5	T34 P44 R45 T118	T34-V36 HydrophobicContact CG2-CG2 3.95Å; V36-P44 CarbonylContact O-C 3.57Å; V36-P44 WeakPolarHBondContact O-CA 3.41Å; V36-P44 WeakPolarHBondContact O-CB 3.45Å; V36-R45 PolarHBondContact N-O 3.04Å; V36-R45 PolarHBondContact O-N 2.97Å; V36-T118 HydrophobicContact CG2-CG2 4.22Å
37	S	98.1	Very high	97	Very high	18 Å²	18	50.5 Å²	50.5	13%	0.126	27%	0.274	C	S	.	.			trans	-71.6	142.2	173.8	55.4	0	0	0	0	111.3	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.3Å; S37-S116 PolarHBondContact O-OG 2.97Å; S37-H117 PolarHBondContact N-O 2.73Å; S37-H117 WeakPolarHBondContact OG-CA 3.3Å; S37-H117 PolarHBondContact OG-N 2.77Å; S37-H117 PolarHBondContact OG-O 2.86Å
38	R	96.3	Very high	97.2	Very high	77 Å²	77	49 Å²	49	29%	0.291	27%	0.267	S	S	.	.			trans	-135.4	75.3	-176.9	53.7	175.6	175.8	-161.9	-10.6	111.2	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.41Å; R38-R41 HydrophobicContact CB-CB 4.1Å; R38-R41 VanDerWaalsContact CD-O 3.3Å; R38-R41 WeakPolarHBondContact CD-O 3.35Å; R38-R41 HydrophobicContact CG-CB 4.13Å; R38-R41 PolarHBondContact NE-O 3.34Å; R38-R41 VanDerWaalsContact NE-O 3.12Å; R38-R41 PolarHBondContact O-N 2.99Å; R38-E43 VanDerWaalsContact CZ-O 3.28Å; R38-E43 PolarHBondContact NE-O 2.76Å; R38-E43 PolarHBondContact NH2-O 3.44Å; R38-D63 IonicContact CZ-OD1 2.78Å; R38-D63 IonicContact CZ-OD2 2.63Å; R38-D63 IonicContact NH1-OD1 2.75Å; R38-D63 PolarHBondContact NH1-OD1 2.82Å; R38-D63 IonicContact NH1-OD2 3.83Å; R38-D63 PolarHBondContact NH1-OD2 2.7Å; R38-D63 IonicContact NH2-OD1 2.67Å; R38-D63 PolarHBondContact NH2-OD1 2.83Å; R38-D63 IonicContact NH2-OD2 3.49Å
39	P	93.4	Very high	97.3	Very high	57 Å²	57	49.3 Å²	49.3	37%	0.37	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	131	-177.5	-26.9	34.6	0	0	0	112.2	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.33Å; P39-E113 WeakPolarHBondContact CB-O 3.48Å; P39-E113 WeakPolarHBondContact CG-O 3.43Å; P39-G115 WeakPolarHBondContact CG-O 3.4Å
40	G	92.3	Very high	97.3	Very high	90 Å²	90	49.3 Å²	49.3	93%	0.928	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	0.3	-177.8	0	0	0	0	0	116	R38	R38-G40 PolarHBondContact O-N 3.41Å
41	R	94	Very high	97.3	Very high	208 Å²	208	50.3 Å²	50.3	79%	0.785	27%	0.272	S	S	*	.	S	Bend	trans	-122.9	25.3	-179.7	-59.3	-174.5	-180	-175.2	0.2	113.4	R38 P39	R38-R41 HydrophobicContact CB-CB 4.1Å; R38-R41 VanDerWaalsContact CD-O 3.3Å; R38-R41 WeakPolarHBondContact CD-O 3.35Å; R38-R41 HydrophobicContact CG-CB 4.13Å; R38-R41 PolarHBondContact NE-O 3.34Å; R38-R41 VanDerWaalsContact NE-O 3.12Å; R38-R41 PolarHBondContact O-N 2.99Å; P39-R41 PolarHBondContact O-N 3.33Å
42	G	92.4	Very high	97.2	Very high	56 Å²	56	50 Å²	50	58%	0.577	27%	0.271	S	S	*	.	S	Bend	trans	93.5	-159.4	178.7	0	0	0	0	0	113.8
43	E	94.9	Very high	97.1	Very high	90 Å²	90	47.3 Å²	47.3	42%	0.421	26%	0.26	S	S	.	.	S	Bend	trans	-72.4	155	-176.6	-65.7	-55.7	161.5	0	0	112.9	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.28Å; R38-E43 PolarHBondContact NE-O 2.76Å; R38-E43 PolarHBondContact NH2-O 3.44Å; E43-R45 PolarHBondContact O-N 2.93Å; E43-R99 IonicContact OE1-CZ 3.34Å; E43-R99 IonicContact OE1-NE 3.3Å; E43-R99 IonicContact OE1-NH2 3.1Å; E43-R99 PolarHBondContact OE1-NH2 2.98Å; E43-R99 WeakPolarHBondContact OE2-CD 3.41Å; E43-R99 IonicContact OE2-CZ 3.42Å; E43-R99 IonicContact OE2-NE 3.01Å; E43-R99 PolarHBondContact OE2-NE 2.92Å; E43-R99 IonicContact OE2-NH2 3.73Å; E43-R99 PolarHBondContact OE2-NH2 2.63Å
44	P	97.4	Very high	96.9	Very high	26 Å²	26	50 Å²	50	17%	0.169	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-51.8	132.5	173.8	-25.8	34.9	0	0	0	111.8	V36 R99 L102	V36-P44 CarbonylContact O-C 3.57Å; V36-P44 WeakPolarHBondContact O-CA 3.41Å; V36-P44 WeakPolarHBondContact O-CB 3.45Å; P44-R99 HydrophobicContact CG-CB 4.33Å; P44-R99 HydrophobicContact CG-CG 4.21Å; P44-L102 HydrophobicContact CB-CD1 3.7Å; P44-L102 HydrophobicContact CG-CD1 3.87Å
45	R	98.4	Very high	96.8	Very high	97 Å²	97	49.2 Å²	49.2	37%	0.366	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	131.1	172.9	-177.1	-179.9	-177.4	-172.6	-2.1	108.4	A35 V36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.52Å; A35-R45 VanDerWaalsContact CA-O 3.29Å; A35-R45 WeakPolarHBondContact CA-O 3.34Å; V36-R45 PolarHBondContact N-O 3.04Å; V36-R45 PolarHBondContact O-N 2.97Å; E43-R45 PolarHBondContact O-N 2.93Å; R45-I47 HydrophobicContact CG-CG1 4.36Å; R45-D61 IonicContact CZ-OD1 3.15Å; R45-D61 IonicContact CZ-OD2 2.71Å; R45-D61 IonicContact NE-OD1 3.19Å; R45-D61 PolarHBondContact NE-OD1 3.41Å; R45-D61 VanDerWaalsContact NE-OD1 3.15Å; R45-D61 IonicContact NE-OD2 3.5Å; R45-D61 PolarHBondContact NE-OD2 3.46Å; R45-D61 IonicContact NH2-OD1 3.82Å; R45-D61 IonicContact NH2-OD2 3.7Å; R45-D61 PolarHBondContact NH2-OD2 3.35Å; R45-S62 WeakPolarHBondContact CA-OG 3.41Å; R45-D63 VanDerWaalsContact CD-OD2 3.3Å; R45-D63 WeakPolarHBondContact CD-OD2 3.47Å; R45-D63 HydrophobicContact CG-CB 4.4Å; R45-D63 IonicContact NE-OD2 3.39Å
46	F	98.8	Very high	96.7	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.009	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.1	177.4	176.6	-92.7	0	0	0	109.9	Y33 T34 A35 A48 F60 S62 Y91 Q94 A95 D98	Y33-F46 HydrophobicContact CD1-CZ 4.27Å; Y33-F46 HydrophobicContact CD2-CE2 4.25Å; Y33-F46 AromaticContact CD2-CZ 3.96Å; Y33-F46 HydrophobicContact CD2-CZ 3.96Å; Y33-F46 HydrophobicContact CE2-CZ 4.39Å; Y33-F46 HydrophobicContact CG-CE2 4.15Å; Y33-F46 AromaticContact CG-CZ 3.85Å; Y33-F46 HydrophobicContact CG-CZ 3.85Å; T34-F46 WeakPolarHBondContact O-CA 3.33Å; A35-F46 HydrophobicContact CB-CD2 4.25Å; F46-A48 HydrophobicContact CE1-CB 3.76Å; F46-A48 HydrophobicContact CZ-CB 4Å; F46-F60 AromaticContact CD1-CD1 3.73Å; F46-F60 HydrophobicContact CD1-CD1 3.73Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.97Å; F46-F60 HydrophobicContact CE1-CD1 3.97Å; F46-F60 HydrophobicContact CE1-CE1 4.29Å; F46-S62 PolarHBondContact N-OG 2.9Å; F46-S62 PolarHBondContact O-N 3.39Å; F46-S62 PolarHBondContact O-OG 2.93Å; F46-Y91 HydrophobicContact CE1-CD1 4.46Å; F46-Q94 HydrophobicContact CE2-CB 4.33Å; F46-Q94 HydrophobicContact CE2-CG 3.71Å; F46-Q94 HydrophobicContact CZ-CB 3.98Å; F46-Q94 HydrophobicContact CZ-CG 3.68Å; F46-A95 HydrophobicContact CB-CB 3.67Å; F46-A95 HydrophobicContact CD1-CB 3.81Å; F46-A95 HydrophobicContact CD2-CB 4.16Å; F46-A95 HydrophobicContact CG-CB 3.61Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.32Å
47	I	98.8	Very high	96.7	Very high	47 Å²	47	49.2 Å²	49.2	24%	0.241	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133.4	175.3	-61.2	163.6	0	0	0	107.8	Y33 T34 R45 V49 F60	Y33-I47 CarbonylContact C-O 3.6Å; Y33-I47 WeakPolarHBondContact CA-O 3.34Å; T34-I47 PolarHBondContact N-O 3.09Å; T34-I47 PolarHBondContact O-N 2.82Å; R45-I47 HydrophobicContact CG-CG1 4.36Å; I47-V49 HydrophobicContact CG2-CG1 4.43Å; I47-F60 WeakPolarHBondContact CA-O 3.47Å
48	A	98.8	Very high	96.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	136	170.6	0	0	0	0	0	110	F32 Y33 F46 Q59 F60 Y91	F32-A48 WeakPolarHBondContact O-CA 3.42Å; Y33-A48 HydrophobicContact CD1-CB 3.33Å; Y33-A48 HydrophobicContact CE1-CB 3.45Å; Y33-A48 VanDerWaalsContact CE1-CB 3.45Å; Y33-A48 HydrophobicContact CG-CB 4.27Å; F46-A48 HydrophobicContact CE1-CB 3.76Å; F46-A48 HydrophobicContact CZ-CB 4Å; A48-Q59 CarbonylContact O-C 3.52Å; A48-Q59 VanDerWaalsContact O-CA 3.3Å; A48-Q59 WeakPolarHBondContact O-CA 3.47Å; A48-F60 HydrophobicContact CB-CB 4.25Å; A48-F60 PolarHBondContact N-O 2.98Å; A48-F60 PolarHBondContact O-N 2.92Å; A48-Y91 HydrophobicContact CB-CD1 3.65Å; A48-Y91 HydrophobicContact CB-CE1 3.68Å; A48-Y91 HydrophobicContact CB-CG 4.48Å
49	V	98.8	Very high	96.8	Very high	28 Å²	28	47.1 Å²	47.1	17%	0.17	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	146.4	171.4	-63.5	0	0	0	0	109.6	Y31 F32 I47 Y51 V58 Q59	Y31-V49 CarbonylContact C-O 3.54Å; Y31-V49 WeakPolarHBondContact CA-O 3.35Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 3.05Å; F32-V49 PolarHBondContact O-N 3.41Å; I47-V49 HydrophobicContact CG2-CG1 4.43Å; V49-Y51 HydrophobicContact CB-CE2 4.1Å; V49-Y51 HydrophobicContact CG2-CD2 4.4Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; V49-V58 WeakPolarHBondContact CA-O 3.43Å; V49-Q59 HydrophobicContact CG1-CB 4.5Å; V49-Q59 HydrophobicContact CG1-CG 4.13Å
50	G	98.6	Very high	97.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	139.7	176.3	0	0	0	0	0	111	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.56Å; R30-G50 WeakPolarHBondContact O-CA 3.47Å; G50-Q56 WeakPolarHBondContact O-CA 3.43Å; G50-F57 WeakPolarHBondContact O-CD1 3.41Å; G50-F57 PolarHBondContact O-N 3.29Å; G50-V58 PolarHBondContact N-O 3.32Å; G50-V58 PolarHBondContact O-N 3.45Å
51	Y	98.6	Very high	97.4	Very high	69 Å²	69	41.8 Å²	41.8	27%	0.271	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	143.2	-179.2	-74.5	-102.7	0	0	0	110.2	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.41Å; R30-Y51 PolarHBondContact N-O 2.96Å; R30-Y51 PolarHBondContact O-N 3.19Å; F32-Y51 HydrophobicContact CD2-CD2 4.11Å; F32-Y51 HydrophobicContact CE2-CD2 4.13Å; V49-Y51 HydrophobicContact CB-CE2 4.1Å; V49-Y51 HydrophobicContact CG2-CD2 4.4Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; Y51-T55 WeakPolarHBondContact CA-O 3.35Å; Y51-T55 VanDerWaalsContact CD1-C 3.5Å; Y51-Q56 HydrophobicContact CD1-CB 3.97Å; Y51-Q56 VanDerWaalsContact CD1-N 3.29Å; Y51-Q56 HydrophobicContact CD2-CG 4.38Å; Y51-Q56 HydrophobicContact CE1-CB 3.48Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.48Å; Y51-Q56 HydrophobicContact CE1-CG 4.17Å; Y51-Q56 HydrophobicContact CE2-CB 4.13Å; Y51-Q56 HydrophobicContact CE2-CG 3.88Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å; Y51-Q56 PolarHBondContact OH-OE1 3.43Å
52	V	98.2	Very high	97.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119.5	156.5	177.2	0	0	0	0	106.1	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.28Å; S28-V52 WeakPolarHBondContact O-CA 3.28Å; M29-V52 HydrophobicContact CG-CG2 4.36Å; V52-D54 PolarHBondContact O-N 3.42Å; V52-T55 PolarHBondContact N-O 2.86Å; V52-T55 WeakPolarHBondContact O-CB 3.44Å; V52-T55 PolarHBondContact O-N 3.48Å; V52-F57 HydrophobicContact CG2-CD1 4.01Å; V52-F57 HydrophobicContact CG2-CE1 4.1Å; V52-W75 HydrophobicContact CB-CH2 4.42Å; V52-W75 HydrophobicContact CB-CZ2 4.48Å; V52-W75 HydrophobicContact CG2-CH2 3.89Å; V52-W75 HydrophobicContact CG2-CZ2 4.44Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; V52-Y195 HydrophobicContact CG2-CD2 3.95Å; V52-Y195 HydrophobicContact CG2-CG 4.43Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.12Å; V52-L203 HydrophobicContact CG1-CD1 3.87Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CG1-CG 4.49Å
53	D	95.6	Very high	97.8	Very high	27 Å²	27	34 Å²	34	14%	0.144	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	-125.1	-166.6	-51.8	-37.7	0	0	0	110.2	H27 S28 T55	H27-D53 WeakPolarHBondContact CA-OD1 3.3Å; H27-D53 IonicContact CE1-OD2 3.16Å; H27-D53 IonicContact CG-OD2 2.75Å; H27-D53 IonicContact ND1-OD1 3.45Å; H27-D53 IonicContact ND1-OD2 3.01Å; H27-D53 PolarHBondContact ND1-OD2 2.95Å; S28-D53 PolarHBondContact N-OD1 3.33Å; S28-D53 PolarHBondContact O-N 3.03Å; D53-T55 VanDerWaalsContact C-N 3.34Å
54	D	95.4	Very high	97.9	Very high	66 Å²	66	31.5 Å²	31.5	35%	0.353	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	8.7	178.6	-59.2	-55.4	0	0	0	113.6	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.42Å; D54-Y233 HydrophobicContact CB-CE2 4.09Å; D54-P234 VanDerWaalsContact OD2-CB 3.31Å; D54-P234 WeakPolarHBondContact OD2-CB 3.47Å; D54-A235 HydrophobicContact CB-CB 4.32Å; D54-A235 WeakPolarHBondContact OD2-CB 3.48Å; D54-A235 PolarHBondContact OD2-N 3.03Å; D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.66Å
55	T	96.5	Very high	97.9	Very high	24 Å²	24	36 Å²	36	15%	0.147	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	112.9	-177.2	-60.9	0	0	0	0	111.7	Y51 V52 D53 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.35Å; Y51-T55 VanDerWaalsContact CD1-C 3.5Å; V52-T55 PolarHBondContact N-O 2.86Å; V52-T55 WeakPolarHBondContact O-CB 3.44Å; V52-T55 PolarHBondContact O-N 3.48Å; D53-T55 VanDerWaalsContact C-N 3.34Å; T55-F57 PolarHBondContact O-N 3.44Å; T55-A73 HydrophobicContact CG2-CB 4.48Å; T55-L203 HydrophobicContact CG2-CD2 4.1Å; T55-Y233 PolarHBondContact OG1-OH 3.5Å
56	Q	97.5	Very high	97.8	Very high	52 Å²	52	35 Å²	35	24%	0.243	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	131.5	172.4	-165.6	-178.4	-6.3	0	0	110.2	G50 Y51 V58 R72	G50-Q56 WeakPolarHBondContact O-CA 3.43Å; Y51-Q56 HydrophobicContact CD1-CB 3.97Å; Y51-Q56 VanDerWaalsContact CD1-N 3.29Å; Y51-Q56 HydrophobicContact CD2-CG 4.38Å; Y51-Q56 HydrophobicContact CE1-CB 3.48Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.48Å; Y51-Q56 HydrophobicContact CE1-CG 4.17Å; Y51-Q56 HydrophobicContact CE2-CB 4.13Å; Y51-Q56 HydrophobicContact CE2-CG 3.88Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å; Y51-Q56 PolarHBondContact OH-OE1 3.43Å; Q56-V58 PolarHBondContact NE2-O 2.94Å; Q56-R72 HydrophobicContact CB-CB 4.5Å; Q56-R72 HydrophobicContact CG-CB 4.14Å; Q56-R72 HydrophobicContact CG-CG 4.38Å; Q56-R72 CarbonylContact O-C 3.42Å
57	F	98.1	Very high	97.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	-20.1	179.5	76.5	-88.7	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 4.45Å; Y31-F57 HydrophobicContact CE1-CZ 4Å; Y31-F57 AromaticContact CZ-CZ 3.78Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.48Å; G50-F57 WeakPolarHBondContact O-CD1 3.41Å; G50-F57 PolarHBondContact O-N 3.29Å; V52-F57 HydrophobicContact CG2-CD1 4.01Å; V52-F57 HydrophobicContact CG2-CE1 4.1Å; T55-F57 PolarHBondContact O-N 3.44Å; F57-R72 PolarHBondContact O-N 2.91Å; F57-A73 HydrophobicContact CB-CB 4.08Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.37Å; F57-W75 HydrophobicContact CB-CZ3 3.94Å; F57-W75 AromaticContact CD1-CH2 3.98Å; F57-W75 HydrophobicContact CD1-CH2 3.98Å; F57-W75 AromaticContact CD2-CH2 3.98Å; F57-W75 HydrophobicContact CD2-CH2 3.98Å; F57-W75 HydrophobicContact CD2-CZ3 4.24Å; F57-W75 AromaticContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CH2 3.45Å; F57-W75 VanDerWaalsContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CZ2 4.15Å; F57-W75 HydrophobicContact CG-CZ3 4.16Å; F57-V76 HydrophobicContact CB-CG1 4.37Å; F57-V76 HydrophobicContact CD2-CB 4.4Å; F57-V76 HydrophobicContact CD2-CG1 4.43Å; F57-V76 HydrophobicContact CD2-CG2 4.1Å; F57-V76 VanDerWaalsContact O-CG1 3.26Å; F57-V76 WeakPolarHBondContact O-CG1 3.45Å; F57-Y195 AromaticContact CE2-CE2 3.84Å; F57-Y195 HydrophobicContact CE2-CE2 3.84Å; F57-Y195 HydrophobicContact CZ-CD2 4.43Å; F57-Y195 AromaticContact CZ-CE2 3.84Å; F57-Y195 HydrophobicContact CZ-CE2 3.84Å
58	V	98.4	Very high	97.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	148.8	180	64.9	0	0	0	0	111.9	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG1 4.04Å; V49-V58 WeakPolarHBondContact CA-O 3.43Å; G50-V58 PolarHBondContact N-O 3.32Å; G50-V58 PolarHBondContact O-N 3.45Å; Q56-V58 PolarHBondContact NE2-O 2.94Å; V58-E70 WeakPolarHBondContact CA-O 3.46Å; V58-W84 HydrophobicContact CG2-CZ3 4.05Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.42Å; V58-Y91 HydrophobicContact CG2-CE2 4.22Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.33Å
59	Q	98.3	Very high	97.6	Very high	50 Å²	50	41.6 Å²	41.6	23%	0.234	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	149.2	170.2	-174.4	170.8	20.8	0	0	111.4	A48 V49 E70 R72	A48-Q59 CarbonylContact O-C 3.52Å; A48-Q59 VanDerWaalsContact O-CA 3.3Å; A48-Q59 WeakPolarHBondContact O-CA 3.47Å; V49-Q59 HydrophobicContact CG1-CB 4.5Å; V49-Q59 HydrophobicContact CG1-CG 4.13Å; Q59-E70 PolarHBondContact N-O 3.28Å; Q59-E70 PolarHBondContact O-N 2.91Å; Q59-R72 HydrophobicContact CB-CG 3.95Å
60	F	98.8	Very high	97.5	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	139.4	165.9	175	-82	0	0	0	109	F46 I47 A48 P67 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.73Å; F46-F60 HydrophobicContact CD1-CD1 3.73Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.97Å; F46-F60 HydrophobicContact CE1-CD1 3.97Å; F46-F60 HydrophobicContact CE1-CE1 4.29Å; I47-F60 WeakPolarHBondContact CA-O 3.47Å; A48-F60 HydrophobicContact CB-CB 4.25Å; A48-F60 PolarHBondContact N-O 2.98Å; A48-F60 PolarHBondContact O-N 2.92Å; F60-P67 HydrophobicContact CE2-CB 3.82Å; F60-P67 HydrophobicContact CZ-CB 3.65Å; F60-Y91 HydrophobicContact CB-CD1 4.4Å; F60-Y91 HydrophobicContact CB-CD2 3.6Å; F60-Y91 HydrophobicContact CB-CE2 4.07Å; F60-Y91 HydrophobicContact CB-CG 3.8Å; 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 3.99Å; F60-Y91 HydrophobicContact CD2-CG 3.99Å; F60-Y91 AromaticContact CG-CD2 3.83Å; F60-Y91 HydrophobicContact CG-CD2 3.83Å; F60-Y91 AromaticContact CG-CG 3.81Å; F60-Y91 HydrophobicContact CG-CG 3.81Å; F60-K92 HydrophobicContact CE2-CG 4.24Å; F60-K92 HydrophobicContact CZ-CG 4.04Å
61	D	98.6	Very high	97.5	Very high	31 Å²	31	45.2 Å²	45.2	17%	0.166	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	124.1	173.1	-169.9	-14.4	0	0	0	109.7	R45 D63 A64	R45-D61 IonicContact CZ-OD1 3.15Å; R45-D61 IonicContact CZ-OD2 2.71Å; R45-D61 IonicContact NE-OD1 3.19Å; R45-D61 PolarHBondContact NE-OD1 3.41Å; R45-D61 VanDerWaalsContact NE-OD1 3.15Å; R45-D61 IonicContact NE-OD2 3.5Å; R45-D61 PolarHBondContact NE-OD2 3.46Å; R45-D61 IonicContact NH2-OD1 3.82Å; R45-D61 IonicContact NH2-OD2 3.7Å; R45-D61 PolarHBondContact NH2-OD2 3.35Å; D61-D63 PolarHBondContact O-N 3.37Å; D61-D63 PolarHBondContact OD1-N 2.92Å; D61-A64 HydrophobicContact CB-CB 4.45Å; D61-A64 WeakPolarHBondContact O-CB 3.31Å; D61-A64 PolarHBondContact O-N 3.33Å
62	S	98.4	Very high	97.4	Very high	35 Å²	35	47.1 Å²	47.1	25%	0.245	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-22.8	178.5	67.5	0	0	0	0	113.6	R45 F46 A64 P67	R45-S62 WeakPolarHBondContact CA-OG 3.41Å; F46-S62 PolarHBondContact N-OG 2.9Å; F46-S62 PolarHBondContact O-N 3.39Å; F46-S62 PolarHBondContact O-OG 2.93Å; S62-A64 VanDerWaalsContact C-N 3.35Å; S62-P67 WeakPolarHBondContact O-CG 3.45Å
63	D	97.6	Very high	97.3	Very high	67 Å²	67	47.3 Å²	47.3	36%	0.358	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-4.1	-179.7	-77.5	5.1	0	0	0	112.7	R38 R45 D61	R38-D63 IonicContact CZ-OD1 2.78Å; R38-D63 IonicContact CZ-OD2 2.63Å; R38-D63 IonicContact NH1-OD1 2.75Å; R38-D63 PolarHBondContact NH1-OD1 2.82Å; R38-D63 IonicContact NH1-OD2 3.83Å; R38-D63 PolarHBondContact NH1-OD2 2.7Å; R38-D63 IonicContact NH2-OD1 2.67Å; R38-D63 PolarHBondContact NH2-OD1 2.83Å; R38-D63 IonicContact NH2-OD2 3.49Å; R45-D63 VanDerWaalsContact CD-OD2 3.3Å; R45-D63 WeakPolarHBondContact CD-OD2 3.47Å; R45-D63 HydrophobicContact CG-CB 4.4Å; R45-D63 IonicContact NE-OD2 3.39Å; D61-D63 PolarHBondContact O-N 3.37Å; D61-D63 PolarHBondContact OD1-N 2.92Å
64	A	97.2	Very high	97.3	Very high	37 Å²	37	50.9 Å²	50.9	31%	0.306	29%	0.291	S	S	.	.	S	Bend	trans	-61.5	149.1	172.9	0	0	0	0	0	110.9	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.45Å; D61-A64 WeakPolarHBondContact O-CB 3.31Å; D61-A64 PolarHBondContact O-N 3.33Å; S62-A64 VanDerWaalsContact C-N 3.35Å; A64-S66 PolarHBondContact O-N 3.39Å; A64-S66 VanDerWaalsContact O-N 3.16Å; A64-P67 WeakPolarHBondContact O-CD 3.17Å; A64-P67 VanDerWaalsContact O-CG 3.29Å; A64-P67 WeakPolarHBondContact O-CG 3.43Å
65	A	96.6	Very high	97.4	Very high	119 Å²	119	48.4 Å²	48.4	98%	0.983	28%	0.276	S	S	*	.	S	Bend	trans	-58.4	-32.3	-179.9	0	0	0	0	0	113.1
66	S	95.9	Very high	97.4	Very high	78 Å²	78	47.3 Å²	47.3	55%	0.545	27%	0.269	S	S	.	.	S	Bend	trans	-133.3	89.5	171.4	-173.3	0	0	0	0	109.1	A64 R68	A64-S66 PolarHBondContact O-N 3.39Å; A64-S66 VanDerWaalsContact O-N 3.16Å; S66-R68 PolarHBondContact O-N 2.89Å; S66-R68 VanDerWaalsContact O-N 3.07Å
67	P	96.9	Very high	97.3	Very high	34 Å²	34	50.6 Å²	50.6	22%	0.221	29%	0.285	C	S	.	.			trans	-64	111.7	-175.1	-24.5	35.5	0	0	0	111.8	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.82Å; F60-P67 HydrophobicContact CZ-CB 3.65Å; S62-P67 WeakPolarHBondContact O-CG 3.45Å; A64-P67 WeakPolarHBondContact O-CD 3.17Å; A64-P67 VanDerWaalsContact O-CG 3.29Å; A64-P67 WeakPolarHBondContact O-CG 3.43Å; P67-K92 WeakPolarHBondContact O-CE 3.47Å; P67-K92 PolarHBondContact O-NZ 3.3Å
68	R	97.8	Very high	97.1	Very high	147 Å²	147	56.4 Å²	56.4	56%	0.555	31%	0.312	S	S	*	.			trans	-145.2	158	177.8	63.9	-175.2	172.6	-179.2	-1.1	110.6	S66 E70 T88	S66-R68 PolarHBondContact O-N 2.89Å; S66-R68 VanDerWaalsContact O-N 3.07Å; R68-E70 HydrophobicContact CG-CG 4.23Å; R68-E70 PolarHBondContact O-N 3.49Å; R68-T88 HydrophobicContact CB-CG2 4.23Å
69	G	97.5	Very high	97	Very high	6 Å²	6	57 Å²	57	6%	0.062	32%	0.315	C	S	.	.			trans	-65.8	128.2	168.1	0	0	0	0	0	109.3	T88	G69-T88 PolarHBondContact N-OG1 3.28Å
70	E	97.6	Very high	96.9	Very high	61 Å²	61	56.2 Å²	56.2	29%	0.285	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	135.3	-179.6	-62	-171.3	157	0	0	110.1	V58 Q59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.46Å; Q59-E70 PolarHBondContact N-O 3.28Å; Q59-E70 PolarHBondContact O-N 2.91Å; R68-E70 HydrophobicContact CG-CG 4.23Å; R68-E70 PolarHBondContact O-N 3.49Å; E70-R72 IonicContact OE2-CZ 3.76Å; E70-R72 IonicContact OE2-NH1 3.74Å; E70-R72 PolarHBondContact OE2-NH1 3.38Å; E70-R72 IonicContact OE2-NH2 3.5Å; E70-R72 PolarHBondContact OE2-NH2 2.89Å
71	P	97.9	Very high	96.8	Very high	43 Å²	43	60.8 Å²	60.8	28%	0.279	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	144.1	172.2	28.4	-33.6	0	0	0	110.7	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.77Å; P71-E77 HydrophobicContact CB-CG 3.73Å; P71-E77 HydrophobicContact CG-CG 3.95Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 3.78Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; P71-W84 HydrophobicContact CG-CZ2 4.23Å
72	R	97.4	Very high	96.7	Very high	109 Å²	109	67.2 Å²	67.2	41%	0.411	38%	0.38	S	S	.	.			trans	-125.3	0.6	173.3	-63.9	-64.9	-177.2	-125.3	-1.4	113	Q56 F57 Q59 E70	Q56-R72 HydrophobicContact CB-CB 4.5Å; Q56-R72 HydrophobicContact CG-CB 4.14Å; Q56-R72 HydrophobicContact CG-CG 4.38Å; Q56-R72 CarbonylContact O-C 3.42Å; F57-R72 PolarHBondContact O-N 2.91Å; Q59-R72 HydrophobicContact CB-CG 3.95Å; E70-R72 IonicContact OE2-CZ 3.76Å; E70-R72 IonicContact OE2-NH1 3.74Å; E70-R72 PolarHBondContact OE2-NH1 3.38Å; E70-R72 IonicContact OE2-NH2 3.5Å; E70-R72 PolarHBondContact OE2-NH2 2.89Å
73	A	95.9	Very high	96.7	Very high	4 Å²	4	65.9 Å²	65.9	3%	0.033	37%	0.369	C	S	.	.	S	Bend	trans	-138.7	142.3	173.6	0	0	0	0	0	111.3	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.48Å; F57-A73 HydrophobicContact CB-CB 4.08Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.14Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 3.96Å; A73-W75 PolarHBondContact O-N 3.38Å; A73-V76 WeakPolarHBondContact O-CG1 3.24Å; A73-V76 PolarHBondContact O-N 3.37Å
74	P	96	Very high	96.7	Very high	102 Å²	102	64.5 Å²	64.5	66%	0.662	36%	0.359	S	S	*	.	H	α-helix	trans	-58.5	-35.2	-177.2	-26.8	34.8	0	0	0	114.2	V76 E77	P74-V76 PolarHBondContact O-N 3.4Å; P74-E77 WeakPolarHBondContact O-CB 3.2Å; P74-E77 PolarHBondContact O-N 2.9Å; P74-E77 VanDerWaalsContact O-N 3.17Å
75	W	95.8	Very high	96.8	Very high	14 Å²	14	67.8 Å²	67.8	5%	0.053	37%	0.372	C	S	.	.	H	α-helix	trans	-71.4	-13.1	-176.5	53.6	-106.2	0	0	0	114.3	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.42Å; V52-W75 HydrophobicContact CB-CZ2 4.48Å; V52-W75 HydrophobicContact CG2-CH2 3.89Å; V52-W75 HydrophobicContact CG2-CZ2 4.44Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.37Å; F57-W75 HydrophobicContact CB-CZ3 3.94Å; F57-W75 AromaticContact CD1-CH2 3.98Å; F57-W75 HydrophobicContact CD1-CH2 3.98Å; F57-W75 AromaticContact CD2-CH2 3.98Å; F57-W75 HydrophobicContact CD2-CH2 3.98Å; F57-W75 HydrophobicContact CD2-CZ3 4.24Å; F57-W75 AromaticContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CH2 3.45Å; F57-W75 VanDerWaalsContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CZ2 4.15Å; F57-W75 HydrophobicContact CG-CZ3 4.16Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.14Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 3.96Å; A73-W75 PolarHBondContact O-N 3.38Å; W75-Q78 WeakPolarHBondContact O-CG 3.41Å; W75-Y195 HydrophobicContact CE3-CD1 4.28Å; W75-Y195 HydrophobicContact CH2-CG 4.15Å; W75-Y195 AromaticContact CZ3-CD1 3.61Å; W75-Y195 HydrophobicContact CZ3-CD1 3.61Å; W75-Y195 HydrophobicContact CZ3-CD2 4.31Å; 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 4.46Å; W75-L203 HydrophobicContact CD2-CD1 4.42Å; W75-L203 HydrophobicContact CH2-CD1 4.39Å; W75-L203 HydrophobicContact CZ2-CD1 3.87Å; W75-L203 HydrophobicContact CZ2-CD2 4.11Å; W75-L203 HydrophobicContact CZ2-CG 4.4Å
76	V	97.1	Very high	96.8	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-95.4	-16.1	172.6	73.3	0	0	0	0	112.3	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.37Å; F57-V76 HydrophobicContact CD2-CB 4.4Å; F57-V76 HydrophobicContact CD2-CG1 4.43Å; F57-V76 HydrophobicContact CD2-CG2 4.1Å; F57-V76 VanDerWaalsContact O-CG1 3.26Å; F57-V76 WeakPolarHBondContact O-CG1 3.45Å; P71-V76 HydrophobicContact CB-CG1 3.77Å; A73-V76 WeakPolarHBondContact O-CG1 3.24Å; A73-V76 PolarHBondContact O-N 3.37Å; P74-V76 PolarHBondContact O-N 3.4Å; V76-Q78 PolarHBondContact O-N 3.14Å; V76-E79 HydrophobicContact CG2-CG 3.87Å; V76-E79 VanDerWaalsContact O-CB 3.32Å; V76-E79 WeakPolarHBondContact O-CB 3.11Å; V76-E79 WeakPolarHBondContact O-CG 2.94Å; V76-E79 PolarHBondContact O-N 3.5Å; V76-Y83 HydrophobicContact CG2-CE1 4.17Å; V76-W84 HydrophobicContact CG1-CH2 4.02Å; V76-W84 HydrophobicContact CG1-CZ2 4.22Å; V76-W84 HydrophobicContact CG2-CH2 3.99Å; V76-W84 HydrophobicContact CG2-CZ2 4.02Å; V76-W84 WeakPolarHBondContact O-CZ2 3.17Å; V76-Y195 HydrophobicContact CG2-CE1 4.37Å
77	E	95.4	Very high	96.9	Very high	122 Å²	122	63.8 Å²	63.8	57%	0.57	32%	0.319	S	S	*	.	H	α-helix	trans	-63.1	-25.1	179.2	-65.7	-180	-178	0	0	112.8	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.73Å; P71-E77 HydrophobicContact CG-CG 3.95Å; P74-E77 WeakPolarHBondContact O-CB 3.2Å; P74-E77 PolarHBondContact O-N 2.9Å; P74-E77 VanDerWaalsContact O-N 3.17Å; E77-E79 PolarHBondContact O-N 2.93Å
78	Q	94.4	Very high	97	Very high	122 Å²	122	62.7 Å²	62.7	57%	0.57	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-11	175.1	67.4	-179.6	15.6	0	0	114	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.41Å; V76-Q78 PolarHBondContact O-N 3.14Å; Q78-N198 VanDerWaalsContact NE2-CB 3.26Å; Q78-N198 PolarHBondContact NE2-ND2 2.92Å; Q78-N198 PolarHBondContact NE2-OD1 2.63Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.14Å
79	E	96.6	Very high	97	Very high	11 Å²	11	60.4 Å²	60.4	5%	0.051	31%	0.307	C	S	.	.	S	Bend	trans	-66.8	135.6	174.2	-64.8	-62.6	163.6	0	0	110.7	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.87Å; V76-E79 VanDerWaalsContact O-CB 3.32Å; V76-E79 WeakPolarHBondContact O-CB 3.11Å; V76-E79 WeakPolarHBondContact O-CG 2.94Å; V76-E79 PolarHBondContact O-N 3.5Å; E77-E79 PolarHBondContact O-N 2.93Å; E79-Y83 HydrophobicContact CB-CD1 3.58Å; E79-Y83 HydrophobicContact CB-CD2 4.49Å; E79-Y83 HydrophobicContact CB-CE1 4.22Å; E79-Y83 HydrophobicContact CB-CG 3.75Å; E79-Y83 HydrophobicContact CG-CD1 4.11Å; E79-Y83 HydrophobicContact CG-CD2 4.46Å; E79-Y83 HydrophobicContact CG-CE1 4.34Å; E79-Y83 HydrophobicContact CG-CG 4.19Å; E79-W84 PolarHBondContact O-NE1 2.92Å; E79-W84 VanDerWaalsContact O-NE1 3.11Å; E79-R194 IonicContact OE1-CZ 2.99Å; E79-R194 IonicContact OE1-NE 3.5Å; E79-R194 PolarHBondContact OE1-NE 2.87Å; E79-R194 IonicContact OE1-NH2 2.7Å; E79-R194 PolarHBondContact OE1-NH2 2.8Å; E79-R194 IonicContact OE2-CZ 2.72Å; E79-R194 IonicContact OE2-NE 3.62Å; E79-R194 PolarHBondContact OE2-NE 3.49Å; E79-R194 IonicContact OE2-NH2 3.55Å; E79-R194 PolarHBondContact OE2-NH2 2.94Å; E79-N198 PolarHBondContact OE1-ND2 2.99Å
80	G	95.6	Very high	97	Very high	35 Å²	35	63.2 Å²	63.2	36%	0.361	32%	0.318	S	S	.	.			trans	-69.8	169.5	-174.6	0	0	0	0	0	114.3	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.78Å; G80-Y83 WeakPolarHBondContact O-CB 3.47Å; G80-Y83 PolarHBondContact O-N 3.49Å; G80-W84 PolarHBondContact O-N 2.81Å
81	P	96.7	Very high	97	Very high	99 Å²	99	60.3 Å²	60.3	64%	0.643	31%	0.305	S	S	*	.	H	α-helix	trans	-57.4	-35.5	-178.3	22.7	-33.5	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 3.03Å; P81-W84 PolarHBondContact O-N 2.82Å; P81-W84 VanDerWaalsContact O-N 3.14Å; P81-D85 WeakPolarHBondContact O-CB 3.41Å; P81-D85 PolarHBondContact O-N 2.87Å
82	E	97.4	Very high	97.1	Very high	166 Å²	166	62.3 Å²	62.3	78%	0.776	31%	0.309	S	S	*	.	H	α-helix	trans	-60.2	-34.6	177.6	-63	-179.3	-179.4	0	0	113	G80 R86	G80-E82 PolarHBondContact O-N 2.78Å; E82-R86 WeakPolarHBondContact O-CB 3.34Å; E82-R86 PolarHBondContact O-N 2.86Å
83	Y	97.4	Very high	97.1	Very high	8 Å²	8	64.6 Å²	64.6	3%	0.031	32%	0.317	C	S	.	.	H	α-helix	trans	-64.4	-52.4	174.3	169.8	-91.9	0	0	0	110	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.17Å; E79-Y83 HydrophobicContact CB-CD1 3.58Å; E79-Y83 HydrophobicContact CB-CD2 4.49Å; E79-Y83 HydrophobicContact CB-CE1 4.22Å; E79-Y83 HydrophobicContact CB-CG 3.75Å; E79-Y83 HydrophobicContact CG-CD1 4.11Å; E79-Y83 HydrophobicContact CG-CD2 4.46Å; E79-Y83 HydrophobicContact CG-CE1 4.34Å; E79-Y83 HydrophobicContact CG-CG 4.19Å; G80-Y83 WeakPolarHBondContact O-CB 3.47Å; G80-Y83 PolarHBondContact O-N 3.49Å; P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 3.03Å; Y83-D85 PolarHBondContact O-N 3.31Å; Y83-R86 PolarHBondContact O-N 3.3Å; Y83-E87 HydrophobicContact CD1-CG 4.36Å; Y83-E87 HydrophobicContact CD2-CG 4.21Å; Y83-E87 HydrophobicContact CE1-CG 3.94Å; Y83-E87 HydrophobicContact CE2-CG 3.77Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CG 3.23Å; Y83-E87 PolarHBondContact O-N 3.01Å; Y83-W191 AromaticContact CD2-CH2 3.51Å; Y83-W191 HydrophobicContact CD2-CH2 3.51Å; Y83-W191 HydrophobicContact CD2-CZ2 4.24Å; Y83-W191 AromaticContact CD2-CZ3 3.75Å; Y83-W191 HydrophobicContact CD2-CZ3 3.75Å; Y83-W191 HydrophobicContact CE2-CE3 4.2Å; Y83-W191 AromaticContact CE2-CH2 3.84Å; Y83-W191 HydrophobicContact CE2-CH2 3.84Å; Y83-W191 HydrophobicContact CE2-CZ2 4.46Å; Y83-W191 AromaticContact CE2-CZ3 3.67Å; Y83-W191 HydrophobicContact CE2-CZ3 3.67Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.48Å; Y83-Y195 VanDerWaalsContact CZ-OH 3.27Å; Y83-Y195 PolarHBondContact OH-OH 3.11Å
84	W	97.9	Very high	97.2	Very high	38 Å²	38	65.8 Å²	65.8	14%	0.144	32%	0.322	C	S	.	.	H	α-helix	trans	-64.5	-38.8	-177.5	-66.8	111.9	0	0	0	112.9	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 4.05Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 3.78Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; P71-W84 HydrophobicContact CG-CZ2 4.23Å; V76-W84 HydrophobicContact CG1-CH2 4.02Å; V76-W84 HydrophobicContact CG1-CZ2 4.22Å; V76-W84 HydrophobicContact CG2-CH2 3.99Å; V76-W84 HydrophobicContact CG2-CZ2 4.02Å; V76-W84 WeakPolarHBondContact O-CZ2 3.17Å; E79-W84 PolarHBondContact O-NE1 2.92Å; E79-W84 VanDerWaalsContact O-NE1 3.11Å; G80-W84 PolarHBondContact O-N 2.81Å; P81-W84 PolarHBondContact O-N 2.82Å; P81-W84 VanDerWaalsContact O-N 3.14Å; W84-T88 WeakPolarHBondContact O-CB 3.34Å; W84-T88 PolarHBondContact O-N 3.48Å; W84-T88 PolarHBondContact O-OG1 3.04Å
85	D	98	Very high	97.3	Very high	106 Å²	106	61.7 Å²	61.7	57%	0.567	30%	0.297	S	S	*	.	H	α-helix	trans	-63.6	-47.2	174.3	-75.3	-22.8	0	0	0	110.7	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.41Å; P81-D85 PolarHBondContact O-N 2.87Å; Y83-D85 PolarHBondContact O-N 3.31Å; D85-T88 PolarHBondContact O-N 2.88Å; D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.49Å; D85-Q89 PolarHBondContact O-N 3.24Å
86	R	97.6	Very high	97.5	Very high	106 Å²	106	66.2 Å²	66.2	40%	0.4	32%	0.319	S	S	.	.	H	α-helix	trans	-62.6	-46.4	178.8	-176	179.7	65.3	-145.5	-6.9	112.1	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.34Å; E82-R86 PolarHBondContact O-N 2.86Å; Y83-R86 PolarHBondContact O-N 3.3Å; R86-Q89 PolarHBondContact O-N 3.27Å; R86-K90 WeakPolarHBondContact O-CG 3.36Å; R86-K90 PolarHBondContact O-N 2.95Å
87	E	97.7	Very high	97.5	Very high	7 Å²	7	69.3 Å²	69.3	3%	0.033	34%	0.338	C	S	.	.	H	α-helix	trans	-65.9	-42.4	178.5	-65.4	-43.2	119.1	0	0	111.2	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.36Å; Y83-E87 HydrophobicContact CD2-CG 4.21Å; Y83-E87 HydrophobicContact CE1-CG 3.94Å; Y83-E87 HydrophobicContact CE2-CG 3.77Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CG 3.23Å; Y83-E87 PolarHBondContact O-N 3.01Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 3.19Å; E87-K90 WeakPolarHBondContact O-CB 3.45Å; E87-K90 PolarHBondContact O-N 3.3Å; E87-K90 VanDerWaalsContact O-N 3.1Å; E87-K90 IonicContact OE1-NZ 2.73Å; E87-K90 PolarHBondContact OE1-NZ 3.07Å; E87-K90 WeakPolarHBondContact OE2-CD 3.4Å; E87-K90 IonicContact OE2-NZ 2.77Å; E87-K90 PolarHBondContact OE2-NZ 3.36Å; E87-Y91 HydrophobicContact CB-CE2 3.98Å; E87-Y91 WeakPolarHBondContact O-CD2 3.47Å; E87-Y91 PolarHBondContact O-N 2.68Å
88	T	98.4	Very high	97.6	Very high	11 Å²	11	63.6 Å²	63.6	7%	0.067	31%	0.311	C	S	.	.	H	α-helix	trans	-56.4	-45.4	173.8	-64.5	0	0	0	0	112	R68 G69 W84 D85 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.23Å; G69-T88 PolarHBondContact N-OG1 3.28Å; W84-T88 WeakPolarHBondContact O-CB 3.34Å; W84-T88 PolarHBondContact O-N 3.48Å; W84-T88 PolarHBondContact O-OG1 3.04Å; D85-T88 PolarHBondContact O-N 2.88Å; T88-Y91 PolarHBondContact O-N 2.87Å; T88-K92 HydrophobicContact CG2-CD 4.15Å; T88-K92 WeakPolarHBondContact O-CG 3.04Å; T88-K92 PolarHBondContact O-N 3.02Å
89	Q	98.3	Very high	97.8	Very high	98 Å²	98	60.8 Å²	60.8	46%	0.458	30%	0.295	S	S	.	.	H	α-helix	trans	-66.8	-35.9	177.6	-68.3	-58.4	-28.2	0	0	112.5	D85 R86 E87 K92 R93	D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.49Å; D85-Q89 PolarHBondContact O-N 3.24Å; R86-Q89 PolarHBondContact O-N 3.27Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 3.19Å; Q89-K92 PolarHBondContact O-N 2.89Å; Q89-R93 WeakPolarHBondContact O-CB 3.38Å; Q89-R93 WeakPolarHBondContact O-CG 3.31Å; Q89-R93 PolarHBondContact O-N 3.27Å
90	K	97.7	Very high	97.9	Very high	66 Å²	66	63.1 Å²	63.1	29%	0.287	31%	0.311	S	S	.	.	H	α-helix	trans	-61.3	-48.1	172.7	-73.9	170.9	178.4	173.4	0	111.4	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.36Å; R86-K90 PolarHBondContact O-N 2.95Å; E87-K90 WeakPolarHBondContact O-CB 3.45Å; E87-K90 PolarHBondContact O-N 3.3Å; E87-K90 VanDerWaalsContact O-N 3.1Å; E87-K90 IonicContact OE1-NZ 2.73Å; E87-K90 PolarHBondContact OE1-NZ 3.07Å; E87-K90 WeakPolarHBondContact OE2-CD 3.4Å; E87-K90 IonicContact OE2-NZ 2.77Å; E87-K90 PolarHBondContact OE2-NZ 3.36Å; K90-K92 PolarHBondContact O-N 2.74Å; K90-R93 PolarHBondContact O-N 2.98Å; K90-Q94 WeakPolarHBondContact O-CB 3.38Å; K90-Q94 PolarHBondContact O-N 2.79Å
91	Y	98.6	Very high	98	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.3	-44.1	177.7	-61.8	-48.8	0	0	0	112.2	Y33 F46 A48 V58 F60 E87 T88 R93 Q94 A95	Y33-Y91 HydrophobicContact CE1-CD1 4.25Å; Y33-Y91 AromaticContact CE1-CE1 3.89Å; Y33-Y91 HydrophobicContact CE1-CE1 3.89Å; Y33-Y91 AromaticContact CZ-CE1 4Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.36Å; F46-Y91 HydrophobicContact CE1-CD1 4.46Å; A48-Y91 HydrophobicContact CB-CD1 3.65Å; A48-Y91 HydrophobicContact CB-CE1 3.68Å; A48-Y91 HydrophobicContact CB-CG 4.48Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.42Å; V58-Y91 HydrophobicContact CG2-CE2 4.22Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.33Å; F60-Y91 HydrophobicContact CB-CD1 4.4Å; F60-Y91 HydrophobicContact CB-CD2 3.6Å; F60-Y91 HydrophobicContact CB-CE2 4.07Å; F60-Y91 HydrophobicContact CB-CG 3.8Å; 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 3.99Å; F60-Y91 HydrophobicContact CD2-CG 3.99Å; F60-Y91 AromaticContact CG-CD2 3.83Å; F60-Y91 HydrophobicContact CG-CD2 3.83Å; F60-Y91 AromaticContact CG-CG 3.81Å; F60-Y91 HydrophobicContact CG-CG 3.81Å; E87-Y91 HydrophobicContact CB-CE2 3.98Å; E87-Y91 WeakPolarHBondContact O-CD2 3.47Å; E87-Y91 PolarHBondContact O-N 2.68Å; T88-Y91 PolarHBondContact O-N 2.87Å; Y91-R93 PolarHBondContact O-N 2.85Å; Y91-Q94 PolarHBondContact O-N 3.03Å; Y91-A95 WeakPolarHBondContact O-CB 3.29Å; Y91-A95 PolarHBondContact O-N 2.85Å
92	K	98.4	Very high	98.1	Very high	84 Å²	84	59 Å²	59	37%	0.365	27%	0.274	S	S	.	.	H	α-helix	trans	-61.3	-42.7	176.6	-73.9	178.6	178.6	175.8	0	112.6	F60 P67 T88 Q89 K90 A95 Q96	F60-K92 HydrophobicContact CE2-CG 4.24Å; F60-K92 HydrophobicContact CZ-CG 4.04Å; P67-K92 WeakPolarHBondContact O-CE 3.47Å; P67-K92 PolarHBondContact O-NZ 3.3Å; T88-K92 HydrophobicContact CG2-CD 4.15Å; T88-K92 WeakPolarHBondContact O-CG 3.04Å; T88-K92 PolarHBondContact O-N 3.02Å; Q89-K92 PolarHBondContact O-N 2.89Å; K90-K92 PolarHBondContact O-N 2.74Å; K92-A95 PolarHBondContact O-N 2.85Å; K92-Q96 PolarHBondContact O-N 3.41Å
93	R	98.4	Very high	98.1	Very high	157 Å²	157	56.8 Å²	56.8	59%	0.592	26%	0.259	S	S	*	.	H	α-helix	trans	-64.5	-43	174.8	-75.5	-170.4	-64.6	-131.7	0.1	111.8	Q89 K90 Y91 Q96 T97	Q89-R93 WeakPolarHBondContact O-CB 3.38Å; Q89-R93 WeakPolarHBondContact O-CG 3.31Å; Q89-R93 PolarHBondContact O-N 3.27Å; K90-R93 PolarHBondContact O-N 2.98Å; Y91-R93 PolarHBondContact O-N 2.85Å; R93-Q96 PolarHBondContact O-N 2.99Å; R93-T97 PolarHBondContact O-N 2.89Å; R93-T97 PolarHBondContact O-OG1 2.03Å
94	Q	98.4	Very high	98.1	Very high	29 Å²	29	61.3 Å²	61.3	14%	0.136	28%	0.279	C	S	.	.	H	α-helix	trans	-62.9	-42.5	177.7	-174.7	65.9	53.9	0	0	111.8	Y33 F46 K90 Y91 Q96 T97 D98 R121	Y33-Q94 HydrophobicContact CD2-CG 3.58Å; Y33-Q94 HydrophobicContact CE2-CB 4.35Å; Y33-Q94 HydrophobicContact CE2-CG 3.63Å; F46-Q94 HydrophobicContact CE2-CB 4.33Å; F46-Q94 HydrophobicContact CE2-CG 3.71Å; F46-Q94 HydrophobicContact CZ-CB 3.98Å; F46-Q94 HydrophobicContact CZ-CG 3.68Å; K90-Q94 WeakPolarHBondContact O-CB 3.38Å; K90-Q94 PolarHBondContact O-N 2.79Å; Y91-Q94 PolarHBondContact O-N 3.03Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 2.95Å; Q94-T97 CarbonylContact O-C 3.57Å; Q94-T97 WeakPolarHBondContact O-CA 3.37Å; Q94-T97 WeakPolarHBondContact O-CB 3.47Å; Q94-T97 PolarHBondContact O-N 3.19Å; Q94-T97 VanDerWaalsContact O-N 3.08Å; Q94-D98 PolarHBondContact NE2-OD1 3.33Å; Q94-D98 PolarHBondContact NE2-OD2 2.88Å; Q94-D98 PolarHBondContact O-N 2.79Å; Q94-R121 VanDerWaalsContact OE1-NH1 3.14Å
95	A	98.4	Very high	98.1	Very high	17 Å²	17	59.8 Å²	59.8	14%	0.14	27%	0.274	C	S	.	.	H	α-helix	trans	-57.2	-40.9	175.8	0	0	0	0	0	112.3	F46 Y91 K92 R99	F46-A95 HydrophobicContact CB-CB 3.67Å; F46-A95 HydrophobicContact CD1-CB 3.81Å; F46-A95 HydrophobicContact CD2-CB 4.16Å; F46-A95 HydrophobicContact CG-CB 3.61Å; Y91-A95 WeakPolarHBondContact O-CB 3.29Å; Y91-A95 PolarHBondContact O-N 2.85Å; K92-A95 PolarHBondContact O-N 2.85Å; A95-R99 WeakPolarHBondContact O-CB 3.4Å; A95-R99 PolarHBondContact O-N 2.86Å
96	Q	98.2	Very high	98.1	Very high	108 Å²	108	57.7 Å²	57.7	51%	0.505	26%	0.258	S	S	.	.	H	α-helix	trans	-68	-40.7	174.6	-64.7	-55.2	-41.4	0	0	112.3	K92 R93 Q94 R99 V100	K92-Q96 PolarHBondContact O-N 3.41Å; R93-Q96 PolarHBondContact O-N 2.99Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 2.95Å; Q96-R99 WeakPolarHBondContact O-CB 3.46Å; Q96-R99 PolarHBondContact O-N 2.94Å; Q96-V100 WeakPolarHBondContact O-CG2 3.2Å; Q96-V100 PolarHBondContact O-N 2.83Å; Q96-V100 VanDerWaalsContact O-N 3.15Å
97	T	98.2	Very high	98	Very high	66 Å²	66	54.7 Å²	54.7	41%	0.405	26%	0.26	S	S	.	.	H	α-helix	trans	-59.9	-46.2	174.5	-63.9	0	0	0	0	111.3	R93 Q94 R99 V100 N101	R93-T97 PolarHBondContact O-N 2.89Å; R93-T97 PolarHBondContact O-OG1 2.03Å; Q94-T97 CarbonylContact O-C 3.57Å; Q94-T97 WeakPolarHBondContact O-CA 3.37Å; Q94-T97 WeakPolarHBondContact O-CB 3.47Å; Q94-T97 PolarHBondContact O-N 3.19Å; Q94-T97 VanDerWaalsContact O-N 3.08Å; T97-R99 PolarHBondContact O-N 3.35Å; T97-V100 WeakPolarHBondContact O-CB 3.38Å; T97-V100 PolarHBondContact O-N 2.84Å; T97-V100 VanDerWaalsContact O-N 3.14Å; T97-N101 VanDerWaalsContact O-CG 3.23Å; T97-N101 PolarHBondContact O-N 3.42Å; T97-N101 PolarHBondContact O-ND2 2.79Å
98	D	98.3	Very high	98.1	Very high	1 Å²	1	57 Å²	57	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-71.4	-32.7	-177.8	-70.4	-19	0	0	0	112.5	A35 F46 Q94 V100 N101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.72Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.32Å; Q94-D98 PolarHBondContact NE2-OD1 3.33Å; Q94-D98 PolarHBondContact NE2-OD2 2.88Å; Q94-D98 PolarHBondContact O-N 2.79Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 3.46Å; D98-N101 PolarHBondContact O-N 3.21Å; D98-L102 WeakPolarHBondContact O-CB 3.47Å; D98-L102 VanDerWaalsContact O-CG 3.29Å; D98-L102 WeakPolarHBondContact O-CG 3.39Å; D98-L102 PolarHBondContact O-N 3.01Å; D98-L119 HydrophobicContact CB-CD2 4.11Å
99	R	98	Very high	98	Very high	63 Å²	63	59.6 Å²	59.6	24%	0.238	28%	0.278	C	S	.	.	H	α-helix	trans	-56.7	-44.7	167.6	174.5	-170.9	-178.3	-159.7	0.8	111.9	E43 P44 A95 Q96 T97 R103	E43-R99 IonicContact OE1-CZ 3.34Å; E43-R99 IonicContact OE1-NE 3.3Å; E43-R99 IonicContact OE1-NH2 3.1Å; E43-R99 PolarHBondContact OE1-NH2 2.98Å; E43-R99 WeakPolarHBondContact OE2-CD 3.41Å; E43-R99 IonicContact OE2-CZ 3.42Å; E43-R99 IonicContact OE2-NE 3.01Å; E43-R99 PolarHBondContact OE2-NE 2.92Å; E43-R99 IonicContact OE2-NH2 3.73Å; E43-R99 PolarHBondContact OE2-NH2 2.63Å; P44-R99 HydrophobicContact CG-CB 4.33Å; P44-R99 HydrophobicContact CG-CG 4.21Å; A95-R99 WeakPolarHBondContact O-CB 3.4Å; A95-R99 PolarHBondContact O-N 2.86Å; Q96-R99 WeakPolarHBondContact O-CB 3.46Å; Q96-R99 PolarHBondContact O-N 2.94Å; T97-R99 PolarHBondContact O-N 3.35Å; R99-R103 VanDerWaalsContact CZ-NH2 3.26Å; R99-R103 PolarHBondContact O-N 3.02Å
100	V	97.9	Very high	98	Very high	61 Å²	61	62.2 Å²	62.2	37%	0.37	30%	0.295	S	S	.	.	H	α-helix	trans	-69.1	-41.2	176.6	173.6	0	0	0	0	110.8	Q96 T97 D98 R103 K104	Q96-V100 WeakPolarHBondContact O-CG2 3.2Å; Q96-V100 PolarHBondContact O-N 2.83Å; Q96-V100 VanDerWaalsContact O-N 3.15Å; T97-V100 WeakPolarHBondContact O-CB 3.38Å; T97-V100 PolarHBondContact O-N 2.84Å; T97-V100 VanDerWaalsContact O-N 3.14Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 3.46Å; V100-R103 PolarHBondContact O-N 2.95Å; V100-K104 HydrophobicContact CG1-CD 4.29Å; V100-K104 PolarHBondContact O-N 3.23Å; V100-K104 VanDerWaalsContact O-N 3.1Å
101	N	98.2	Very high	98	Very high	38 Å²	38	62 Å²	62	20%	0.203	30%	0.295	C	S	.	.	H	α-helix	trans	-63.7	-42.3	179.3	-69	-22.4	0	0	0	111.9	T97 D98 R103 K104 L105 L119	T97-N101 VanDerWaalsContact O-CG 3.23Å; T97-N101 PolarHBondContact O-N 3.42Å; T97-N101 PolarHBondContact O-ND2 2.79Å; D98-N101 PolarHBondContact O-N 3.21Å; N101-R103 VanDerWaalsContact C-N 3.28Å; N101-R103 PolarHBondContact O-N 2.67Å; N101-K104 PolarHBondContact O-N 3.47Å; N101-K104 VanDerWaalsContact O-N 3.09Å; N101-L105 WeakPolarHBondContact O-CB 3.35Å; N101-L105 VanDerWaalsContact O-CG 3.27Å; N101-L105 WeakPolarHBondContact O-CG 3.3Å; N101-L105 PolarHBondContact O-N 2.96Å; N101-L119 HydrophobicContact CB-CD2 3.66Å
102	L	98.4	Very high	97.8	Very high	8 Å²	8	65.9 Å²	65.9	4%	0.042	32%	0.322	C	S	.	.	H	α-helix	trans	-56.1	-41.3	175.2	-78	166.8	0	0	0	112	A35 P44 D98 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.89Å; P44-L102 HydrophobicContact CB-CD1 3.7Å; P44-L102 HydrophobicContact CG-CD1 3.87Å; D98-L102 WeakPolarHBondContact O-CB 3.47Å; D98-L102 VanDerWaalsContact O-CG 3.29Å; D98-L102 WeakPolarHBondContact O-CG 3.39Å; D98-L102 PolarHBondContact O-N 3.01Å; L102-R106 WeakPolarHBondContact O-CB 3.49Å; L102-R106 PolarHBondContact O-N 3.22Å; L102-H117 HydrophobicContact CD2-CB 4.29Å; L102-L119 HydrophobicContact CD2-CB 3.65Å; L102-L119 HydrophobicContact CG-CB 4.08Å; L102-Y142 HydrophobicContact CD2-CE2 4.02Å
103	R	97	Very high	97.6	Very high	120 Å²	120	68.2 Å²	68.2	45%	0.453	33%	0.334	S	S	.	.	H	α-helix	trans	-66.9	-41.3	175.5	-64.8	177.4	-167.3	155.2	-1.4	112.5	R99 V100 N101 G107	R99-R103 VanDerWaalsContact CZ-NH2 3.26Å; R99-R103 PolarHBondContact O-N 3.02Å; V100-R103 PolarHBondContact O-N 2.95Å; N101-R103 VanDerWaalsContact C-N 3.28Å; N101-R103 PolarHBondContact O-N 2.67Å; R103-G107 PolarHBondContact O-N 3.17Å
104	K	97.6	Very high	97.3	Very high	103 Å²	103	64.7 Å²	64.7	45%	0.448	34%	0.338	S	S	.	.	H	α-helix	trans	-64.8	-47.5	178	-73.1	176.6	178.7	171.7	0	111.2	V100 N101 G107 Y108	V100-K104 HydrophobicContact CG1-CD 4.29Å; V100-K104 PolarHBondContact O-N 3.23Å; V100-K104 VanDerWaalsContact O-N 3.1Å; N101-K104 PolarHBondContact O-N 3.47Å; N101-K104 VanDerWaalsContact O-N 3.09Å; K104-G107 CarbonylContact O-C 3.56Å; K104-G107 WeakPolarHBondContact O-CA 3.36Å; K104-G107 PolarHBondContact O-N 2.93Å; K104-G107 VanDerWaalsContact O-N 3.1Å; K104-Y108 WeakPolarHBondContact O-CD1 3.38Å; K104-Y108 PolarHBondContact O-N 3.07Å
105	L	98.2	Very high	97.1	Very high	7 Å²	7	64.5 Å²	64.5	4%	0.037	35%	0.345	C	S	.	.	H	α-helix	trans	-59.9	-48.8	179.4	-70.4	167	0	0	0	110.7	N101 G107 Y108 Y109 L119 Y142 Y147	N101-L105 WeakPolarHBondContact O-CB 3.35Å; N101-L105 VanDerWaalsContact O-CG 3.27Å; N101-L105 WeakPolarHBondContact O-CG 3.3Å; N101-L105 PolarHBondContact O-N 2.96Å; L105-G107 PolarHBondContact O-N 3.44Å; L105-Y108 HydrophobicContact CD2-CD2 4.42Å; L105-Y108 PolarHBondContact O-N 3.22Å; L105-Y109 HydrophobicContact CD2-CE2 4.33Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.19Å; L105-Y109 PolarHBondContact O-N 3Å; L105-L119 HydrophobicContact CD1-CD1 3.79Å; L105-L119 HydrophobicContact CD1-CD2 4.19Å; L105-L119 HydrophobicContact CD1-CG 4.44Å; L105-Y142 HydrophobicContact CB-CD1 4.31Å; L105-Y142 HydrophobicContact CB-CD2 4.17Å; L105-Y142 HydrophobicContact CB-CE1 3.94Å; L105-Y142 HydrophobicContact CB-CE2 3.82Å; L105-Y142 HydrophobicContact CB-CG 4.4Å; L105-Y142 HydrophobicContact CD1-CD2 3.61Å; L105-Y142 HydrophobicContact CD1-CE2 3.95Å; L105-Y142 HydrophobicContact CD1-CG 4.04Å; L105-Y142 HydrophobicContact CG-CD2 4.42Å; L105-Y147 HydrophobicContact CD2-CD1 4.33Å; L105-Y147 HydrophobicContact CD2-CD2 4.12Å; L105-Y147 HydrophobicContact CD2-CE1 3.73Å; L105-Y147 HydrophobicContact CD2-CE2 3.49Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.49Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.38Å
106	R	97.4	Very high	97.1	Very high	61 Å²	61	67.4 Å²	67.4	23%	0.23	36%	0.364	C	S	.	.	H	α-helix	trans	-51.4	-42.8	173.3	-172.8	-170.9	66.8	-179.8	9.5	112.2	L102 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.49Å; L102-R106 PolarHBondContact O-N 3.22Å; R106-N110 PolarHBondContact O-N 2.86Å; R106-N110 VanDerWaalsContact O-N 3.13Å; R106-Q111 HydrophobicContact CG-CB 3.79Å; R106-Q111 WeakPolarHBondContact CG-O 3.4Å; R106-Q111 PolarHBondContact O-N 3.37Å; R106-E113 IonicContact CZ-OE1 2.79Å; R106-E113 IonicContact NH1-OE1 3.47Å; R106-E113 IonicContact NH2-OE1 3.5Å; R106-E113 PolarHBondContact NH2-OE1 2.62Å
107	G	97.4	Very high	97.1	Very high	43 Å²	43	63 Å²	63	44%	0.443	34%	0.343	S	S	.	.	H	α-helix	trans	-65.7	-45.5	175.3	0	0	0	0	0	113.4	R103 K104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.17Å; K104-G107 CarbonylContact O-C 3.56Å; K104-G107 WeakPolarHBondContact O-CA 3.36Å; K104-G107 PolarHBondContact O-N 2.93Å; K104-G107 VanDerWaalsContact O-N 3.1Å; L105-G107 PolarHBondContact O-N 3.44Å; G107-Y109 PolarHBondContact O-N 2.75Å; G107-N110 PolarHBondContact O-N 3.25Å; G107-N110 VanDerWaalsContact O-N 3.13Å; G107-N110 PolarHBondContact O-OD1 3.01Å
108	Y	97.9	Very high	97.1	Very high	55 Å²	55	61.6 Å²	61.6	22%	0.216	34%	0.335	C	S	.	.	H	α-helix	trans	-61.1	-34.2	178.3	-63.3	-15.7	0	0	0	112.8	K104 L105 I166 K170	K104-Y108 WeakPolarHBondContact O-CD1 3.38Å; K104-Y108 PolarHBondContact O-N 3.07Å; L105-Y108 HydrophobicContact CD2-CD2 4.42Å; L105-Y108 PolarHBondContact O-N 3.22Å; Y108-I166 HydrophobicContact CD1-CD1 4.25Å; Y108-I166 HydrophobicContact CE1-CG2 4.07Å; Y108-I166 HydrophobicContact CE2-CB 4.36Å; Y108-I166 HydrophobicContact CE2-CG2 4.11Å; Y108-I166 HydrophobicContact CG-CD1 4.3Å; Y108-K170 PolarHBondContact OH-NZ 3.22Å
109	Y	97.9	Very high	97.1	Very high	66 Å²	66	61.8 Å²	61.8	26%	0.259	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	3.7	178.6	-69.6	-73.4	0	0	0	114	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 3.19Å; L105-Y109 PolarHBondContact O-N 3Å; G107-Y109 PolarHBondContact O-N 2.75Å; Y109-Q111 PolarHBondContact O-N 3.34Å; Y109-Y142 AromaticContact CD2-CD1 3.73Å; Y109-Y142 HydrophobicContact CD2-CD1 3.73Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.52Å; Y109-Y142 HydrophobicContact CE2-CD1 3.52Å; Y109-Y142 AromaticContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CG-CE1 4.41Å; Y109-Y147 HydrophobicContact CE2-CD2 4.41Å; Y109-Y147 HydrophobicContact CE2-CE2 4.14Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.32Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.35Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.45Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 3.06Å; Y109-D161 PolarHBondContact OH-OD2 3.45Å; Y109-A163 HydrophobicContact CD1-CB 4.13Å; Y109-A163 HydrophobicContact CD2-CB 4.35Å; Y109-A163 HydrophobicContact CE1-CB 3.6Å; Y109-A163 HydrophobicContact CE2-CB 3.84Å; Y109-A163 HydrophobicContact CG-CB 4.48Å; Y109-A163 VanDerWaalsContact CZ-CB 3.44Å
110	N	97	Very high	97.2	Very high	154 Å²	154	62.4 Å²	62.4	82%	0.824	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	39.5	-177.5	-57.1	-55.6	0	0	0	113.5	R106 G107	R106-N110 PolarHBondContact O-N 2.86Å; R106-N110 VanDerWaalsContact O-N 3.13Å; G107-N110 PolarHBondContact O-N 3.25Å; G107-N110 VanDerWaalsContact O-N 3.13Å; G107-N110 PolarHBondContact O-OD1 3.01Å
111	Q	97.4	Very high	97.2	Very high	62 Å²	62	60.2 Å²	60.2	29%	0.29	33%	0.326	S	S	.	.			trans	-87.7	152.4	-176.6	-70.7	165.6	-34.2	0	0	112	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.79Å; R106-Q111 WeakPolarHBondContact CG-O 3.4Å; R106-Q111 PolarHBondContact O-N 3.37Å; Y109-Q111 PolarHBondContact O-N 3.34Å; Q111-H117 PolarHBondContact NE2-CE1 3.01Å; Q111-H117 PolarHBondContact OE1-CE1 3.27Å; Q111-H117 PolarHBondContact OE1-ND1 3.19Å; Q111-Y142 PolarHBondContact OE1-OH 2.91Å; Q111-D143 PolarHBondContact NE2-OD2 3.3Å
112	S	95.6	Very high	97.2	Very high	80 Å²	80	59.5 Å²	59.5	56%	0.559	32%	0.322	S	S	*	.			trans	-66.2	148.1	179.3	176.3	0	0	0	0	112.5	A114 G115	S112-A114 PolarHBondContact O-N 3.12Å; S112-A114 PolarHBondContact OG-N 3.03Å; S112-G115 PolarHBondContact O-N 3.3Å
113	E	92.8	Very high	97.3	Very high	134 Å²	134	60 Å²	60	63%	0.626	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-20.4	175.1	-55.4	-152	128.2	0	0	113.9	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.48Å; P39-E113 WeakPolarHBondContact CG-O 3.43Å; R106-E113 IonicContact CZ-OE1 2.79Å; R106-E113 IonicContact NH1-OE1 3.47Å; R106-E113 IonicContact NH2-OE1 3.5Å; R106-E113 PolarHBondContact NH2-OE1 2.62Å; E113-G115 VanDerWaalsContact C-N 3.29Å
114	A	93.3	Very high	97.3	Very high	82 Å²	82	54.3 Å²	54.3	68%	0.678	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-14.9	179.1	0	0	0	0	0	112.9	S112	S112-A114 PolarHBondContact O-N 3.12Å; S112-A114 PolarHBondContact OG-N 3.03Å
115	G	94.2	Very high	97.4	Very high	26 Å²	26	49.4 Å²	49.4	27%	0.268	28%	0.281	S	S	.	.	S	Bend	trans	-74.8	136	-179.5	0	0	0	0	0	112.6	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.4Å; S112-G115 PolarHBondContact O-N 3.3Å; E113-G115 VanDerWaalsContact C-N 3.29Å; G115-H117 PolarHBondContact O-CD2 3.42Å; G115-H117 VanDerWaalsContact O-CD2 3.26Å
116	S	97.6	Very high	97.4	Very high	77 Å²	77	50 Å²	50	54%	0.538	28%	0.284	S	S	.	.			trans	-83.8	132	164.9	179.7	0	0	0	0	108.9	S37	S37-S116 WeakPolarHBondContact O-CB 3.3Å; S37-S116 PolarHBondContact O-OG 2.97Å
117	H	98.4	Very high	97.3	Very high	16 Å²	16	47.3 Å²	47.3	7%	0.074	27%	0.274	C	S	.	.			trans	-129.2	149.5	-178.4	-61.5	-76.1	0	0	0	111.3	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 2.73Å; S37-H117 WeakPolarHBondContact OG-CA 3.3Å; S37-H117 PolarHBondContact OG-N 2.77Å; S37-H117 PolarHBondContact OG-O 2.86Å; L102-H117 HydrophobicContact CD2-CB 4.29Å; Q111-H117 PolarHBondContact NE2-CE1 3.01Å; Q111-H117 PolarHBondContact OE1-CE1 3.27Å; Q111-H117 PolarHBondContact OE1-ND1 3.19Å; G115-H117 PolarHBondContact O-CD2 3.42Å; G115-H117 VanDerWaalsContact O-CD2 3.26Å; H117-Y142 HydrophobicContact CB-CE2 3.77Å; H117-Y142 WeakPolarHBondContact CB-OH 3.34Å; H117-Y142 AromaticContact CG-CZ 3.98Å; H117-Y142 AromaticContact ND1-CZ 3.92Å; H117-Y142 PolarHBondContact ND1-OH 2.72Å; H117-D143 WeakPolarHBondContact CA-OD1 3.44Å; H117-D143 WeakPolarHBondContact CB-OD1 3.44Å; H117-D143 IonicContact CE1-OD2 3.29Å; H117-D143 IonicContact CG-OD1 3.38Å; H117-D143 IonicContact CG-OD2 2.6Å; H117-D143 IonicContact ND1-OD1 3.51Å; H117-D143 IonicContact ND1-OD2 2.62Å; H117-D143 PolarHBondContact ND1-OD2 2.88Å
118	T	98.8	Very high	97.2	Very high	37 Å²	37	45.7 Å²	45.7	23%	0.227	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.8	-176.5	-58.2	0	0	0	0	110.6	T34 A35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.98Å; A35-T118 WeakPolarHBondContact O-CA 3.31Å; V36-T118 HydrophobicContact CG2-CG2 4.22Å; T118-Q120 HydrophobicContact CG2-CG 3.97Å; T118-Y142 CarbonylContact O-C 3.59Å; T118-Y142 WeakPolarHBondContact O-CA 3.42Å; T118-Y142 VanDerWaalsContact O-CD2 3.24Å; T118-Y142 WeakPolarHBondContact O-CD2 3.5Å; T118-D143 PolarHBondContact N-OD1 3.07Å; T118-D143 PolarHBondContact O-N 3.42Å
119	L	98.9	Very high	96.7	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	124.8	170.4	175.2	61.8	0	0	0	108.5	A35 D98 N101 L102 L105 F140	A35-L119 HydrophobicContact CB-CB 4.46Å; A35-L119 PolarHBondContact N-O 3.33Å; A35-L119 PolarHBondContact O-N 3.26Å; D98-L119 HydrophobicContact CB-CD2 4.11Å; N101-L119 HydrophobicContact CB-CD2 3.66Å; L102-L119 HydrophobicContact CD2-CB 3.65Å; L102-L119 HydrophobicContact CG-CB 4.08Å; L105-L119 HydrophobicContact CD1-CD1 3.79Å; L105-L119 HydrophobicContact CD1-CD2 4.19Å; L105-L119 HydrophobicContact CD1-CG 4.44Å; L119-F140 HydrophobicContact CD1-CD1 4.17Å
120	Q	98.9	Very high	96.3	Very high	77 Å²	77	49.2 Å²	49.2	36%	0.36	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	146.2	177.2	-67.7	170.5	-78.2	0	0	110.2	Y33 T34 T118 F140 A141	Y33-Q120 CarbonylContact O-C 3.55Å; Y33-Q120 VanDerWaalsContact O-CA 3.27Å; Y33-Q120 WeakPolarHBondContact O-CA 3.22Å; T34-Q120 HydrophobicContact CG2-CG 4.06Å; T118-Q120 HydrophobicContact CG2-CG 3.97Å; Q120-F140 CarbonylContact O-C 3.49Å; Q120-F140 VanDerWaalsContact O-CA 3.23Å; Q120-F140 WeakPolarHBondContact O-CA 3.29Å; Q120-A141 HydrophobicContact CB-CB 4.35Å; Q120-A141 PolarHBondContact N-O 2.82Å; Q120-A141 PolarHBondContact O-N 3.3Å
121	R	98.7	Very high	95.9	Very high	14 Å²	14	42.8 Å²	42.8	5%	0.053	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	132.1	172.9	-176.6	-170	-177.1	-171	-5.5	109.5	F32 Y33 Q94 Y123 N138 Q139 F140 R180	F32-R121 WeakPolarHBondContact CA-O 3.29Å; Y33-R121 PolarHBondContact N-O 2.97Å; Y33-R121 PolarHBondContact O-N 2.75Å; Q94-R121 VanDerWaalsContact OE1-NH1 3.14Å; R121-Y123 HydrophobicContact CG-CD1 4.3Å; R121-N138 PolarHBondContact NE-OD1 3.26Å; R121-N138 PolarHBondContact NH2-OD1 2.8Å; R121-Q139 CarbonylContact C-O 3.57Å; R121-Q139 WeakPolarHBondContact CA-O 3.14Å; R121-F140 HydrophobicContact CB-CD1 3.79Å; R121-F140 HydrophobicContact CB-CE1 3.73Å; R121-F140 HydrophobicContact CB-CG 4.43Å; R121-F140 HydrophobicContact CB-CZ 4.29Å; R121-F140 VanDerWaalsContact CD-CE1 3.49Å; R121-F140 HydrophobicContact CG-CD1 3.9Å; R121-F140 HydrophobicContact CG-CD2 4.31Å; R121-F140 HydrophobicContact CG-CE1 3.55Å; R121-F140 HydrophobicContact CG-CE2 3.94Å; R121-F140 HydrophobicContact CG-CG 4.29Å; R121-F140 HydrophobicContact CG-CZ 3.57Å; R121-F140 VanDerWaalsContact NE-CZ 3.34Å; R121-R180 VanDerWaalsContact NH2-NH1 3.13Å
122	M	98.8	Very high	95.7	Very high	24 Å²	24	48 Å²	48	12%	0.118	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131	165.7	-175.7	-79.2	-77.4	0	0	108.8	Y31 F32 Y137 N138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.41Å; F32-M122 HydrophobicContact CD1-CB 3.98Å; F32-M122 HydrophobicContact CD1-CG 3.67Å; F32-M122 HydrophobicContact CE1-CB 4.12Å; F32-M122 HydrophobicContact CE1-CG 3.4Å; F32-M122 HydrophobicContact CZ-CG 4.03Å; M122-Y137 HydrophobicContact CE-CD1 4.06Å; M122-Y137 HydrophobicContact CE-CG 4.14Å; M122-Y137 HydrophobicContact SD-CG 4.4Å; M122-N138 WeakPolarHBondContact O-CA 3.39Å; M122-Q139 HydrophobicContact CB-CG 4.1Å; M122-Q139 VanDerWaalsContact CE-CD 3.49Å; M122-Q139 HydrophobicContact CE-CG 4.01Å; M122-Q139 VanDerWaalsContact CE-OE1 3.3Å; M122-Q139 PolarHBondContact N-O 2.82Å; M122-Q139 PolarHBondContact O-N 3.49Å
123	Y	98.8	Very high	95.8	Very high	19 Å²	19	46.7 Å²	46.7	8%	0.075	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	155.6	171.3	73.3	-85.6	0	0	0	110.8	Y31 Y33 R121 Y137 Y183	Y31-Y123 VanDerWaalsContact CB-CE1 3.46Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.47Å; Y31-Y123 HydrophobicContact CD2-CD2 4.45Å; Y31-Y123 AromaticContact CD2-CE2 3.65Å; Y31-Y123 HydrophobicContact CD2-CE2 3.65Å; Y31-Y123 AromaticContact CD2-CZ 3.67Å; Y31-Y123 HydrophobicContact CE2-CE2 4.37Å; Y31-Y123 HydrophobicContact CG-CE1 4.15Å; Y31-Y123 HydrophobicContact CG-CE2 4.1Å; Y31-Y123 AromaticContact CG-CZ 3.63Å; Y31-Y123 PolarHBondContact N-O 3.5Å; Y31-Y123 PolarHBondContact O-N 3.15Å; Y31-Y123 VanDerWaalsContact O-N 3.11Å; Y33-Y123 HydrophobicContact CD2-CE1 4.14Å; Y33-Y123 HydrophobicContact CE1-CE1 4.05Å; Y33-Y123 AromaticContact CE2-CE1 3.56Å; Y33-Y123 HydrophobicContact CE2-CE1 3.56Å; Y33-Y123 AromaticContact CZ-CE1 3.53Å; Y33-Y123 AromaticContact CZ-CZ 3.94Å; Y33-Y123 PolarHBondContact OH-OH 3.13Å; R121-Y123 HydrophobicContact CG-CD1 4.3Å; Y123-Y137 WeakPolarHBondContact CA-O 3.41Å; Y123-Y137 VanDerWaalsContact CB-O 3.27Å; Y123-Y137 WeakPolarHBondContact CB-O 3.3Å; Y123-Y183 AromaticContact CD2-CE1 3.81Å; Y123-Y183 HydrophobicContact CD2-CE1 3.81Å; Y123-Y183 AromaticContact CE2-CE1 3.66Å; Y123-Y183 HydrophobicContact CE2-CE1 3.66Å; Y123-Y183 AromaticContact CE2-CZ 3.9Å
124	G	98.6	Very high	96	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.7	-177.3	-174.6	0	0	0	0	0	113.7	M29 Y137 L184	M29-G124 CarbonylContact O-C 3.59Å; M29-G124 WeakPolarHBondContact O-CA 3.48Å; G124-Y137 PolarHBondContact N-O 3.06Å; G124-Y137 VanDerWaalsContact N-O 3.08Å; G124-Y137 PolarHBondContact O-N 2.82Å; G124-L184 WeakPolarHBondContact O-CD2 3.35Å
125	C	98.5	Very high	96.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	148.2	-178.7	52.5	0	0	0	0	110.8	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.34Å; M29-C125 PolarHBondContact N-O 3.29Å; M29-C125 PolarHBondContact O-N 2.81Å; C125-L133 HydrophobicContact CB-CD1 3.57Å; C125-R135 CarbonylContact C-O 3.54Å; C125-R135 WeakPolarHBondContact CA-O 3.39Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.35Å; C125-C188 PolarHBondContact N-SG 3.16Å; C125-C188 WeakPolarHBondContact SG-CB 3.33Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.85Å
126	D	97.9	Very high	96.3	Very high	20 Å²	20	45.8 Å²	45.8	11%	0.107	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	137.4	171.3	-58.5	-11	0	0	0	108.6	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.6Å; H27-D126 WeakPolarHBondContact O-CA 3.34Å; S28-D126 WeakPolarHBondContact CB-OD1 3.38Å; R30-D126 IonicContact CZ-OD1 3.27Å; R30-D126 IonicContact NE-OD1 2.75Å; R30-D126 PolarHBondContact NE-OD1 3.34Å; R30-D126 VanDerWaalsContact NE-OD1 3.16Å; R30-D126 VanDerWaalsContact NH2-CG 3.29Å; R30-D126 IonicContact NH2-OD1 3.5Å; R30-D126 PolarHBondContact NH2-OD1 2.99Å; R30-D126 IonicContact NH2-OD2 3.56Å; R30-D126 PolarHBondContact NH2-OD2 3.34Å; D126-L134 HydrophobicContact CB-CB 4.38Å; D126-L134 PolarHBondContact O-N 3.21Å; D126-R135 HydrophobicContact CB-CB 4.44Å; D126-R135 PolarHBondContact N-O 3.19Å; D126-R135 PolarHBondContact O-N 3.17Å; D126-Y137 VanDerWaalsContact CG-CE2 3.49Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.28Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.42Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.27Å; D126-Y137 PolarHBondContact OD2-OH 3.33Å
127	L	96.9	Very high	96.3	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.016	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	136.2	173.9	-55.9	-177.1	0	0	0	110	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.3Å; S26-L127 WeakPolarHBondContact CA-O 3.21Å; S26-L127 WeakPolarHBondContact CB-O 3.5Å; H27-L127 PolarHBondContact N-O 3.46Å; H27-L127 VanDerWaalsContact N-O 3.1Å; H27-L127 PolarHBondContact O-N 3.31Å; L127-R132 CarbonylContact C-O 3.58Å; L127-R132 VanDerWaalsContact CA-O 3.23Å; L127-R132 WeakPolarHBondContact CA-O 3.43Å; L127-V189 HydrophobicContact CD1-CG1 4.48Å; L127-V189 HydrophobicContact CD2-CB 4.18Å; L127-V189 HydrophobicContact CD2-CG1 3.79Å; L127-V189 HydrophobicContact CD2-CG2 3.84Å; L127-L192 HydrophobicContact CB-CD2 4.5Å; L127-L192 HydrophobicContact CD1-CB 4.22Å; L127-L192 HydrophobicContact CD1-CD2 3.69Å; L127-L192 HydrophobicContact CD1-CG 3.73Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.22Å; L127-R193 HydrophobicContact CD1-CG 3.96Å
128	G	93.4	Very high	96.3	Very high	10 Å²	10	43.1 Å²	43.1	10%	0.103	22%	0.216	C	C	.	.			trans	-70.4	175.4	166.3	0	0	0	0	0	112	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.02Å; G128-G131 WeakPolarHBondContact O-CA 3.35Å; G128-G131 PolarHBondContact O-N 2.92Å; G128-R132 PolarHBondContact N-O 2.81Å
129	P	88.9	Confident	96.3	Very high	90 Å²	90	44.7 Å²	44.7	58%	0.584	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-26	178.7	-19	27.9	0	0	0	114	A24 C25 G131	A24-P129 HydrophobicContact CB-CB 4.47Å; A24-P129 HydrophobicContact CB-CG 3.38Å; C25-P129 WeakPolarHBondContact O-CA 3.26Å; P129-G131 PolarHBondContact O-N 3.29Å
130	D	88.7	Confident	96.3	Very high	104 Å²	104	45.2 Å²	45.2	56%	0.556	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	2.8	174.4	70.2	-14.3	0	0	0	113	G128 R132	G128-D130 PolarHBondContact O-N 3.02Å; D130-R132 PolarHBondContact O-N 2.8Å; D130-R132 WeakPolarHBondContact OD1-CB 3.21Å; D130-R132 PolarHBondContact OD1-N 3.29Å; D130-R132 WeakPolarHBondContact OD2-CD 3.18Å; D130-R132 VanDerWaalsContact OD2-CG 3.3Å; D130-R132 WeakPolarHBondContact OD2-CG 3.2Å; D130-R132 IonicContact OD2-NE 2.76Å
131	G	89.3	Confident	96.3	Very high	19 Å²	19	42.3 Å²	42.3	20%	0.196	21%	0.213	C	C	.	.	S	Bend	trans	72.2	9.6	-178.6	0	0	0	0	0	113.9	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.35Å; G128-G131 PolarHBondContact O-N 2.92Å; P129-G131 PolarHBondContact O-N 3.29Å; G131-R193 VanDerWaalsContact O-CZ 3.3Å; G131-R193 PolarHBondContact O-NE 3.27Å; G131-R193 VanDerWaalsContact O-NE 3.08Å; G131-R193 PolarHBondContact O-NH2 3.07Å
132	R	94	Very high	96.3	Very high	171 Å²	171	42.2 Å²	42.2	65%	0.645	21%	0.212	S	C	*	.	S	Bend	trans	-87.6	154.7	178	-62.2	-173.4	-175.8	167.5	-2.7	111.2	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.58Å; L127-R132 VanDerWaalsContact CA-O 3.23Å; L127-R132 WeakPolarHBondContact CA-O 3.43Å; G128-R132 PolarHBondContact N-O 2.81Å; D130-R132 PolarHBondContact O-N 2.8Å; D130-R132 WeakPolarHBondContact OD1-CB 3.21Å; D130-R132 PolarHBondContact OD1-N 3.29Å; D130-R132 WeakPolarHBondContact OD2-CD 3.18Å; D130-R132 VanDerWaalsContact OD2-CG 3.3Å; D130-R132 WeakPolarHBondContact OD2-CG 3.2Å; D130-R132 IonicContact OD2-NE 2.76Å; R132-L134 PolarHBondContact O-N 3.25Å; R132-L134 VanDerWaalsContact O-N 3.13Å
133	L	96.6	Very high	96.3	Very high	54 Å²	54	44.1 Å²	44.1	28%	0.283	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	118.2	175.4	-177.3	72.7	0	0	0	109.7	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.57Å; L133-R135 WeakPolarHBondContact CD1-O 3.44Å; L133-L154 HydrophobicContact CD2-CD1 4.19Å; L133-E185 HydrophobicContact CD2-CB 4.39Å; L133-E185 HydrophobicContact CD2-CG 3.68Å; L133-V189 HydrophobicContact CB-CG2 4.05Å; L133-V189 HydrophobicContact CD1-CG2 4.07Å
134	L	96.1	Very high	96.3	Very high	121 Å²	121	46.1 Å²	46.1	63%	0.634	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	-46.7	171.2	-176	69.5	0	0	0	110.1	D126 R132	D126-L134 HydrophobicContact CB-CB 4.38Å; D126-L134 PolarHBondContact O-N 3.21Å; R132-L134 PolarHBondContact O-N 3.25Å; R132-L134 VanDerWaalsContact O-N 3.13Å
135	R	96.6	Very high	96.3	Very high	96 Å²	96	53.7 Å²	53.7	36%	0.362	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	143.6	-176.1	-173	162.9	169.5	147.8	12	112.1	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.54Å; C125-R135 WeakPolarHBondContact CA-O 3.39Å; D126-R135 HydrophobicContact CB-CB 4.44Å; D126-R135 PolarHBondContact N-O 3.19Å; D126-R135 PolarHBondContact O-N 3.17Å; L133-R135 WeakPolarHBondContact CD1-O 3.44Å; R135-Y137 HydrophobicContact CB-CE2 4.07Å; R135-Y137 VanDerWaalsContact CD-CZ 3.46Å; R135-Y137 WeakPolarHBondContact CD-OH 3.49Å; R135-Y137 HydrophobicContact CG-CD2 4.46Å; R135-Y137 HydrophobicContact CG-CE1 4.04Å; R135-Y137 HydrophobicContact CG-CE2 3.75Å; R135-Y137 PolarHBondContact NE-OH 3.33Å; R135-E152 IonicContact CZ-OE1 3.48Å; R135-E152 IonicContact NH1-OE1 3.28Å; R135-E152 PolarHBondContact NH1-OE1 2.91Å; R135-E152 IonicContact NH2-OE1 2.77Å; R135-E152 PolarHBondContact NH2-OE1 3.29Å
136	G	98.1	Very high	96.3	Very high	5 Å²	5	59.5 Å²	59.5	5%	0.052	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	149.2	171.9	0	0	0	0	0	111.5
137	Y	98.3	Very high	96.3	Very high	36 Å²	36	58.9 Å²	58.9	14%	0.141	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	141.4	-177.7	-54	-96.4	0	0	0	110.8	R30 M122 Y123 G124 D126 R135	R30-Y137 PolarHBondContact NH2-OH 3.27Å; M122-Y137 HydrophobicContact CE-CD1 4.06Å; M122-Y137 HydrophobicContact CE-CG 4.14Å; M122-Y137 HydrophobicContact SD-CG 4.4Å; Y123-Y137 WeakPolarHBondContact CA-O 3.41Å; Y123-Y137 VanDerWaalsContact CB-O 3.27Å; Y123-Y137 WeakPolarHBondContact CB-O 3.3Å; G124-Y137 PolarHBondContact N-O 3.06Å; G124-Y137 VanDerWaalsContact N-O 3.08Å; G124-Y137 PolarHBondContact O-N 2.82Å; D126-Y137 VanDerWaalsContact CG-CE2 3.49Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.28Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.42Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.27Å; D126-Y137 PolarHBondContact OD2-OH 3.33Å; R135-Y137 HydrophobicContact CB-CE2 4.07Å; R135-Y137 VanDerWaalsContact CD-CZ 3.46Å; R135-Y137 WeakPolarHBondContact CD-OH 3.49Å; R135-Y137 HydrophobicContact CG-CD2 4.46Å; R135-Y137 HydrophobicContact CG-CE1 4.04Å; R135-Y137 HydrophobicContact CG-CE2 3.75Å; R135-Y137 PolarHBondContact NE-OH 3.33Å
138	N	98.6	Very high	96.4	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.011	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	100.6	163.6	-179	54.8	0	0	0	108.9	R121 M122 L150 W157	R121-N138 PolarHBondContact NE-OD1 3.26Å; R121-N138 PolarHBondContact NH2-OD1 2.8Å; M122-N138 WeakPolarHBondContact O-CA 3.39Å; N138-L150 HydrophobicContact CB-CB 4.08Å; N138-L150 HydrophobicContact CB-CD2 4.23Å; N138-L150 WeakPolarHBondContact O-CB 3.48Å; N138-L150 PolarHBondContact O-N 2.9Å; N138-W157 WeakPolarHBondContact ND2-CH2 3.47Å
139	Q	98.7	Very high	96.7	Very high	70 Å²	70	60 Å²	60	33%	0.327	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	149.6	-174.4	64.3	-166.5	68.2	0	0	111.5	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.57Å; R121-Q139 WeakPolarHBondContact CA-O 3.14Å; M122-Q139 HydrophobicContact CB-CG 4.1Å; M122-Q139 VanDerWaalsContact CE-CD 3.49Å; M122-Q139 HydrophobicContact CE-CG 4.01Å; M122-Q139 VanDerWaalsContact CE-OE1 3.3Å; M122-Q139 PolarHBondContact N-O 2.82Å; M122-Q139 PolarHBondContact O-N 3.49Å; Q139-I148 WeakPolarHBondContact CA-O 3.37Å; Q139-A149 HydrophobicContact CB-CB 3.88Å
140	F	98.8	Very high	97.1	Very high	14 Å²	14	56.3 Å²	56.3	6%	0.061	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.9	-179	-67	-104	0	0	0	110.3	L119 Q120 R121 Y147 I148 W171	L119-F140 HydrophobicContact CD1-CD1 4.17Å; Q120-F140 CarbonylContact O-C 3.49Å; Q120-F140 VanDerWaalsContact O-CA 3.23Å; Q120-F140 WeakPolarHBondContact O-CA 3.29Å; R121-F140 HydrophobicContact CB-CD1 3.79Å; R121-F140 HydrophobicContact CB-CE1 3.73Å; R121-F140 HydrophobicContact CB-CG 4.43Å; R121-F140 HydrophobicContact CB-CZ 4.29Å; R121-F140 VanDerWaalsContact CD-CE1 3.49Å; R121-F140 HydrophobicContact CG-CD1 3.9Å; R121-F140 HydrophobicContact CG-CD2 4.31Å; R121-F140 HydrophobicContact CG-CE1 3.55Å; R121-F140 HydrophobicContact CG-CE2 3.94Å; R121-F140 HydrophobicContact CG-CG 4.29Å; R121-F140 HydrophobicContact CG-CZ 3.57Å; R121-F140 VanDerWaalsContact NE-CZ 3.34Å; F140-Y147 HydrophobicContact CB-CD1 4.36Å; F140-Y147 WeakPolarHBondContact O-CB 3.4Å; F140-Y147 PolarHBondContact O-N 2.93Å; F140-I148 HydrophobicContact CB-CG2 4.2Å; F140-I148 HydrophobicContact CD2-CG2 4.11Å; F140-I148 HydrophobicContact CG-CG2 4.46Å; F140-I148 PolarHBondContact N-O 2.84Å; F140-I148 PolarHBondContact O-N 2.87Å; F140-W171 AromaticContact CD2-CH2 3.83Å; F140-W171 HydrophobicContact CD2-CH2 3.83Å; F140-W171 HydrophobicContact CD2-CZ3 4.29Å; F140-W171 AromaticContact CE2-CH2 3.45Å; F140-W171 HydrophobicContact CE2-CH2 3.45Å; F140-W171 VanDerWaalsContact CE2-CH2 3.45Å; F140-W171 HydrophobicContact CE2-CZ2 4.5Å; F140-W171 HydrophobicContact CE2-CZ3 4.04Å; F140-W171 AromaticContact CZ-CH2 3.88Å; F140-W171 HydrophobicContact CZ-CH2 3.88Å
141	A	98.9	Very high	97.6	Very high	17 Å²	17	53.5 Å²	53.5	14%	0.14	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	144.3	171	0	0	0	0	0	110.1	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.35Å; Q120-A141 PolarHBondContact N-O 2.82Å; Q120-A141 PolarHBondContact O-N 3.3Å; A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.49Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.43Å
142	Y	98.8	Very high	98	Very high	11 Å²	11	59.1 Å²	59.1	4%	0.043	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	127.2	177.1	-174.9	-121.3	0	0	0	109.7	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.02Å; L105-Y142 HydrophobicContact CB-CD1 4.31Å; L105-Y142 HydrophobicContact CB-CD2 4.17Å; L105-Y142 HydrophobicContact CB-CE1 3.94Å; L105-Y142 HydrophobicContact CB-CE2 3.82Å; L105-Y142 HydrophobicContact CB-CG 4.4Å; L105-Y142 HydrophobicContact CD1-CD2 3.61Å; L105-Y142 HydrophobicContact CD1-CE2 3.95Å; L105-Y142 HydrophobicContact CD1-CG 4.04Å; L105-Y142 HydrophobicContact CG-CD2 4.42Å; Y109-Y142 AromaticContact CD2-CD1 3.73Å; Y109-Y142 HydrophobicContact CD2-CD1 3.73Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.52Å; Y109-Y142 HydrophobicContact CE2-CD1 3.52Å; Y109-Y142 AromaticContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CG-CE1 4.41Å; Q111-Y142 PolarHBondContact OE1-OH 2.91Å; H117-Y142 HydrophobicContact CB-CE2 3.77Å; H117-Y142 WeakPolarHBondContact CB-OH 3.34Å; H117-Y142 AromaticContact CG-CZ 3.98Å; H117-Y142 AromaticContact ND1-CZ 3.92Å; H117-Y142 PolarHBondContact ND1-OH 2.72Å; T118-Y142 CarbonylContact O-C 3.59Å; T118-Y142 WeakPolarHBondContact O-CA 3.42Å; T118-Y142 VanDerWaalsContact O-CD2 3.24Å; T118-Y142 WeakPolarHBondContact O-CD2 3.5Å; Y142-G144 PolarHBondContact O-N 2.87Å; Y142-K145 PolarHBondContact N-O 3.21Å; Y142-K145 PolarHBondContact O-N 2.86Å; Y142-K145 VanDerWaalsContact O-N 3.07Å
143	D	98.4	Very high	98.2	Very high	64 Å²	64	54.7 Å²	54.7	34%	0.342	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	41	-174.6	-64.8	-22.2	0	0	0	113.3	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.3Å; H117-D143 WeakPolarHBondContact CA-OD1 3.44Å; H117-D143 WeakPolarHBondContact CB-OD1 3.44Å; H117-D143 IonicContact CE1-OD2 3.29Å; H117-D143 IonicContact CG-OD1 3.38Å; H117-D143 IonicContact CG-OD2 2.6Å; H117-D143 IonicContact ND1-OD1 3.51Å; H117-D143 IonicContact ND1-OD2 2.62Å; H117-D143 PolarHBondContact ND1-OD2 2.88Å; T118-D143 PolarHBondContact N-OD1 3.07Å; T118-D143 PolarHBondContact O-N 3.42Å; D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 2.84Å
144	G	97.7	Very high	98.2	Very high	61 Å²	61	52.6 Å²	52.6	63%	0.629	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	6.6	177.7	0	0	0	0	0	115.3	Y142	Y142-G144 PolarHBondContact O-N 2.87Å
145	K	98.6	Very high	98.3	Very high	160 Å²	160	54.6 Å²	54.6	70%	0.696	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	144.6	177.2	-61.3	-178.9	-176.9	179.1	0	110.8	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.49Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.43Å; Y142-K145 PolarHBondContact N-O 3.21Å; Y142-K145 PolarHBondContact O-N 2.86Å; Y142-K145 VanDerWaalsContact O-N 3.07Å; D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 2.84Å; K145-Y147 PolarHBondContact O-N 3.33Å
146	D	98.8	Very high	98.4	Very high	121 Å²	121	52 Å²	52	65%	0.647	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.6	136.2	173.8	-69.5	-34.7	0	0	0	110.8	A160	D146-A160 HydrophobicContact CB-CB 4.44Å; D146-A160 WeakPolarHBondContact O-CB 3.45Å
147	Y	98.8	Very high	98.4	Very high	8 Å²	8	52.1 Å²	52.1	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-64.2	-179.5	179.1	-111.5	0	0	0	110.7	L105 Y109 F140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.33Å; L105-Y147 HydrophobicContact CD2-CD2 4.12Å; L105-Y147 HydrophobicContact CD2-CE1 3.73Å; L105-Y147 HydrophobicContact CD2-CE2 3.49Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.49Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.38Å; Y109-Y147 HydrophobicContact CE2-CD2 4.41Å; Y109-Y147 HydrophobicContact CE2-CE2 4.14Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.32Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.35Å; F140-Y147 HydrophobicContact CB-CD1 4.36Å; F140-Y147 WeakPolarHBondContact O-CB 3.4Å; F140-Y147 PolarHBondContact O-N 2.93Å; K145-Y147 PolarHBondContact O-N 3.33Å; Y147-A160 WeakPolarHBondContact O-CB 3.26Å; Y147-A160 PolarHBondContact O-N 2.82Å; Y147-A163 PolarHBondContact OH-O 2.86Å; Y147-A164 HydrophobicContact CD2-CB 3.82Å; Y147-A164 VanDerWaalsContact CE2-CA 3.45Å; Y147-A164 HydrophobicContact CE2-CB 3.65Å; Y147-A164 HydrophobicContact CG-CB 4.34Å; Y147-A164 WeakPolarHBondContact O-CB 3.39Å; Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 WeakPolarHBondContact OH-CB 3.36Å; Y147-T167 PolarHBondContact OH-OG1 2.82Å
148	I	98.8	Very high	98.4	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.015	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	139.1	178.4	-162.9	172.9	0	0	0	110.5	Q139 F140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.37Å; F140-I148 HydrophobicContact CB-CG2 4.2Å; F140-I148 HydrophobicContact CD2-CG2 4.11Å; F140-I148 HydrophobicContact CG-CG2 4.46Å; F140-I148 PolarHBondContact N-O 2.84Å; F140-I148 PolarHBondContact O-N 2.87Å; I148-W157 HydrophobicContact CD1-CB 4.19Å; I148-W157 HydrophobicContact CD1-CD2 4.46Å; I148-W157 HydrophobicContact CD1-CE3 4.29Å; I148-W157 HydrophobicContact CD1-CG 4.44Å; I148-W157 HydrophobicContact CG1-CB 4.27Å; I148-W157 HydrophobicContact CG1-CE3 4.13Å; I148-T158 WeakPolarHBondContact CA-O 3.2Å; I148-T158 WeakPolarHBondContact CG1-O 3.08Å; I148-T167 HydrophobicContact CD1-CG2 4.18Å; I148-Q168 HydrophobicContact CD1-CB 3.88Å; I148-W171 HydrophobicContact CD1-CE3 4.1Å; I148-W171 HydrophobicContact CD1-CZ3 4.3Å; I148-W171 HydrophobicContact CG2-CH2 4Å; I148-W171 HydrophobicContact CG2-CZ3 3.7Å
149	A	98.8	Very high	98.4	Very high	32 Å²	32	55.1 Å²	55.1	26%	0.264	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.2	179.5	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.88Å; A149-W157 CarbonylContact O-C 3.51Å; A149-W157 WeakPolarHBondContact O-CA 3.19Å; A149-T158 PolarHBondContact N-O 3.06Å; A149-T158 PolarHBondContact O-N 3.32Å
150	L	98.8	Very high	98.4	Very high	14 Å²	14	54.7 Å²	54.7	7%	0.073	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	128.5	167.7	-175.2	68.1	0	0	0	108.6	N138 L154 W157 A177 R180 L184	N138-L150 HydrophobicContact CB-CB 4.08Å; N138-L150 HydrophobicContact CB-CD2 4.23Å; N138-L150 WeakPolarHBondContact O-CB 3.48Å; N138-L150 PolarHBondContact O-N 2.9Å; L150-L154 HydrophobicContact CD2-CB 4.47Å; L150-L154 HydrophobicContact CD2-CD2 3.81Å; L150-L154 HydrophobicContact CG-CD2 4.35Å; L150-W157 HydrophobicContact CB-CE3 3.96Å; L150-W157 HydrophobicContact CB-CH2 4.14Å; L150-W157 HydrophobicContact CB-CZ3 3.66Å; L150-W157 HydrophobicContact CD1-CD2 4.11Å; L150-W157 HydrophobicContact CD1-CE3 4.23Å; L150-W157 HydrophobicContact CD1-CH2 4.05Å; L150-W157 HydrophobicContact CD1-CZ2 3.89Å; L150-W157 HydrophobicContact CD1-CZ3 4.2Å; L150-A177 HydrophobicContact CD1-CB 4.02Å; L150-R180 HydrophobicContact CD2-CB 4Å; L150-L184 HydrophobicContact CD2-CD1 3.93Å
151	N	98.6	Very high	98.4	Very high	44 Å²	44	56.7 Å²	56.7	24%	0.235	32%	0.316	C	S	.	.			trans	-72.5	164.1	-179.5	-67	-25.7	0	0	0	111.4	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.94Å; N151-D153 VanDerWaalsContact O-N 3.12Å; N151-L154 PolarHBondContact O-N 3.06Å; N151-S156 WeakPolarHBondContact CB-O 3.38Å; N151-S156 WeakPolarHBondContact CB-OG 3.49Å; N151-S156 PolarHBondContact N-O 3.08Å; N151-S156 PolarHBondContact ND2-OG 3.45Å; N151-T158 PolarHBondContact ND2-OG1 3.35Å; N151-T158 WeakPolarHBondContact OD1-CB 3.28Å; N151-T158 PolarHBondContact OD1-OG1 3.21Å
152	E	97.4	Very high	98.4	Very high	137 Å²	137	64.4 Å²	64.4	64%	0.64	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-23.2	-179.1	-66.1	179.7	-169.1	0	0	113.4	R135 L154	R135-E152 IonicContact CZ-OE1 3.48Å; R135-E152 IonicContact NH1-OE1 3.28Å; R135-E152 PolarHBondContact NH1-OE1 2.91Å; R135-E152 IonicContact NH2-OE1 2.77Å; R135-E152 PolarHBondContact NH2-OE1 3.29Å; E152-L154 PolarHBondContact O-N 2.87Å
153	D	97.4	Very high	98.3	Very high	78 Å²	78	64.2 Å²	64.2	42%	0.417	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-8.5	174	70.9	2.7	0	0	0	114	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.94Å; N151-D153 VanDerWaalsContact O-N 3.12Å; D153-R155 WeakPolarHBondContact O-CG 3.48Å; D153-R155 PolarHBondContact O-N 2.96Å; D153-R155 VanDerWaalsContact O-N 3.15Å; D153-R155 PolarHBondContact OD1-N 2.85Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.82Å; D153-S156 PolarHBondContact OD1-OG 3.48Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.34Å; D153-S156 PolarHBondContact OD2-OG 3.19Å
154	L	98.1	Very high	98.3	Very high	10 Å²	10	61.2 Å²	61.2	5%	0.052	33%	0.331	C	S	.	.	S	Bend	trans	53.9	25.3	-175.3	-53	-178.5	0	0	0	114	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.19Å; L150-L154 HydrophobicContact CD2-CB 4.47Å; L150-L154 HydrophobicContact CD2-CD2 3.81Å; L150-L154 HydrophobicContact CG-CD2 4.35Å; N151-L154 PolarHBondContact O-N 3.06Å; E152-L154 PolarHBondContact O-N 2.87Å; L154-R181 HydrophobicContact CB-CB 4.11Å; L154-R181 HydrophobicContact CB-CG 3.88Å; L154-R181 HydrophobicContact CD1-CG 4.23Å; L154-L184 HydrophobicContact CD2-CD1 4Å; L154-E185 HydrophobicContact CD1-CG 4.18Å
155	R	97.6	Very high	98.4	Very high	164 Å²	164	63 Å²	63	62%	0.619	32%	0.323	S	S	*	.	S	Bend	trans	-131.8	-33.5	-173.7	-71.4	169.7	-175.4	-113.7	10.8	112.6	D153 A177	D153-R155 WeakPolarHBondContact O-CG 3.48Å; D153-R155 PolarHBondContact O-N 2.96Å; D153-R155 VanDerWaalsContact O-N 3.15Å; D153-R155 PolarHBondContact OD1-N 2.85Å; R155-A177 WeakPolarHBondContact O-CB 3.39Å
156	S	98	Very high	98.4	Very high	40 Å²	40	58.5 Å²	58.5	28%	0.28	31%	0.306	S	S	.	.			trans	-113.9	163.7	-177.5	63.1	0	0	0	0	112	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.38Å; N151-S156 WeakPolarHBondContact CB-OG 3.49Å; N151-S156 PolarHBondContact N-O 3.08Å; N151-S156 PolarHBondContact ND2-OG 3.45Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.82Å; D153-S156 PolarHBondContact OD1-OG 3.48Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.34Å; D153-S156 PolarHBondContact OD2-OG 3.19Å
157	W	98.7	Very high	98.3	Very high	9 Å²	9	53.5 Å²	53.5	3%	0.034	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	147	-178.7	-59.5	90.8	0	0	0	110.9	N138 I148 A149 L150 Q168 W171 E176 A177 R180	N138-W157 WeakPolarHBondContact ND2-CH2 3.47Å; I148-W157 HydrophobicContact CD1-CB 4.19Å; I148-W157 HydrophobicContact CD1-CD2 4.46Å; I148-W157 HydrophobicContact CD1-CE3 4.29Å; I148-W157 HydrophobicContact CD1-CG 4.44Å; I148-W157 HydrophobicContact CG1-CB 4.27Å; I148-W157 HydrophobicContact CG1-CE3 4.13Å; A149-W157 CarbonylContact O-C 3.51Å; A149-W157 WeakPolarHBondContact O-CA 3.19Å; L150-W157 HydrophobicContact CB-CE3 3.96Å; L150-W157 HydrophobicContact CB-CH2 4.14Å; L150-W157 HydrophobicContact CB-CZ3 3.66Å; L150-W157 HydrophobicContact CD1-CD2 4.11Å; L150-W157 HydrophobicContact CD1-CE3 4.23Å; L150-W157 HydrophobicContact CD1-CH2 4.05Å; L150-W157 HydrophobicContact CD1-CZ2 3.89Å; L150-W157 HydrophobicContact CD1-CZ3 4.2Å; W157-Q168 HydrophobicContact CB-CG 4.19Å; W157-Q168 PolarHBondContact O-NE2 3.21Å; W157-W171 AromaticContact CD2-CE3 3.95Å; W157-W171 HydrophobicContact CD2-CE3 3.95Å; W157-W171 HydrophobicContact CD2-CZ3 4.48Å; W157-W171 AromaticContact CE2-CE3 3.81Å; W157-W171 AromaticContact CE3-CE3 3.81Å; W157-W171 HydrophobicContact CE3-CE3 3.81Å; W157-W171 AromaticContact CE3-CZ3 3.87Å; W157-W171 HydrophobicContact CE3-CZ3 3.87Å; W157-W171 AromaticContact CH2-CE3 3.4Å; W157-W171 HydrophobicContact CH2-CE3 3.4Å; W157-W171 VanDerWaalsContact CH2-CE3 3.4Å; W157-W171 AromaticContact CH2-CZ3 3.44Å; W157-W171 HydrophobicContact CH2-CZ3 3.44Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.44Å; W157-W171 HydrophobicContact CZ2-CD2 4.44Å; W157-W171 AromaticContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CZ3 4.1Å; W157-W171 AromaticContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CE3 3.56Å; W157-W171 AromaticContact CZ3-CZ3 3.33Å; W157-W171 HydrophobicContact CZ3-CZ3 3.33Å; W157-E176 HydrophobicContact CZ2-CB 4.21Å; W157-A177 HydrophobicContact CZ2-CB 4.3Å; W157-R180 HydrophobicContact CH2-CG 4.26Å
158	T	98.7	Very high	98.3	Very high	79 Å²	79	55.1 Å²	55.1	49%	0.485	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	118.7	166.8	-65.5	0	0	0	0	109	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.2Å; I148-T158 WeakPolarHBondContact CG1-O 3.08Å; A149-T158 PolarHBondContact N-O 3.06Å; A149-T158 PolarHBondContact O-N 3.32Å; N151-T158 PolarHBondContact ND2-OG1 3.35Å; N151-T158 WeakPolarHBondContact OD1-CB 3.28Å; N151-T158 PolarHBondContact OD1-OG1 3.21Å
159	A	98.7	Very high	98.3	Very high	22 Å²	22	60.5 Å²	60.5	18%	0.182	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.3	175.8	0	0	0	0	0	110.5	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.69Å; A159-Q165 HydrophobicContact CB-CG 3.96Å; A159-Q168 HydrophobicContact CB-CB 4.37Å
160	A	98.5	Very high	98.3	Very high	60 Å²	60	64.3 Å²	64.3	50%	0.496	33%	0.326	S	S	.	.	S	Bend	trans	-75.4	-30	-176.6	0	0	0	0	0	113.6	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.44Å; D146-A160 WeakPolarHBondContact O-CB 3.45Å; Y147-A160 WeakPolarHBondContact O-CB 3.26Å; Y147-A160 PolarHBondContact O-N 2.82Å
161	D	98.3	Very high	98.3	Very high	57 Å²	57	65.9 Å²	65.9	31%	0.305	33%	0.331	S	S	.	.	S	Bend	trans	-152.4	-175.8	-178.5	67.4	29.9	0	0	0	113.2	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.45Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 3.06Å; Y109-D161 PolarHBondContact OH-OD2 3.45Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 2.88Å; D161-A163 WeakPolarHBondContact OD1-CA 3.43Å; D161-A163 WeakPolarHBondContact OD1-CB 3.46Å; D161-A163 PolarHBondContact OD1-N 2.94Å; D161-A164 WeakPolarHBondContact O-CB 3.38Å; D161-A164 PolarHBondContact O-N 2.81Å; D161-A164 PolarHBondContact OD1-N 2.89Å; D161-Q165 WeakPolarHBondContact O-CG 3.32Å; D161-Q165 PolarHBondContact O-N 2.99Å
162	K	98.2	Very high	98.3	Very high	178 Å²	178	67.9 Å²	67.9	77%	0.774	34%	0.339	S	S	*	.	H	α-helix	trans	-62.5	-32.1	179.7	-67.1	-176.8	179.5	178.9	0	113.5
163	A	98	Very high	98.3	Very high	8 Å²	8	65.6 Å²	65.6	7%	0.066	34%	0.343	C	S	.	.	H	α-helix	trans	-74.2	-35	177.3	0	0	0	0	0	110.9	Y109 Y147 D161 I166	Y109-A163 HydrophobicContact CD1-CB 4.13Å; Y109-A163 HydrophobicContact CD2-CB 4.35Å; Y109-A163 HydrophobicContact CE1-CB 3.6Å; Y109-A163 HydrophobicContact CE2-CB 3.84Å; Y109-A163 HydrophobicContact CG-CB 4.48Å; Y109-A163 VanDerWaalsContact CZ-CB 3.44Å; Y147-A163 PolarHBondContact OH-O 2.86Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 2.88Å; D161-A163 WeakPolarHBondContact OD1-CA 3.43Å; D161-A163 WeakPolarHBondContact OD1-CB 3.46Å; D161-A163 PolarHBondContact OD1-N 2.94Å; A163-I166 WeakPolarHBondContact O-CB 3.36Å; A163-I166 PolarHBondContact O-N 2.76Å
164	A	98.5	Very high	98.3	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-66.8	-35.7	171.6	0	0	0	0	0	112.9	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.82Å; Y147-A164 VanDerWaalsContact CE2-CA 3.45Å; Y147-A164 HydrophobicContact CE2-CB 3.65Å; Y147-A164 HydrophobicContact CG-CB 4.34Å; Y147-A164 WeakPolarHBondContact O-CB 3.39Å; A159-A164 HydrophobicContact CB-CB 3.69Å; D161-A164 WeakPolarHBondContact O-CB 3.38Å; D161-A164 PolarHBondContact O-N 2.81Å; D161-A164 PolarHBondContact OD1-N 2.89Å; A164-I166 PolarHBondContact O-N 2.75Å; A164-T167 WeakPolarHBondContact O-CA 3.33Å; A164-T167 WeakPolarHBondContact O-CB 3.44Å; A164-T167 PolarHBondContact O-N 3.07Å; A164-Q168 PolarHBondContact O-N 2.92Å
165	Q	98.6	Very high	98.3	Very high	99 Å²	99	71.6 Å²	71.6	46%	0.463	37%	0.371	S	S	.	.	H	α-helix	trans	-58.5	-33.2	174.8	-73.2	171	4.6	0	0	112.5	A159 D161 T167 Q168 L169	A159-Q165 HydrophobicContact CB-CG 3.96Å; D161-Q165 WeakPolarHBondContact O-CG 3.32Å; D161-Q165 PolarHBondContact O-N 2.99Å; Q165-T167 VanDerWaalsContact C-N 3.3Å; Q165-T167 PolarHBondContact O-N 3.23Å; Q165-Q168 PolarHBondContact O-N 2.72Å; Q165-L169 WeakPolarHBondContact O-CG 3.47Å; Q165-L169 PolarHBondContact O-N 3.11Å
166	I	98.4	Very high	98.3	Very high	66 Å²	66	65.9 Å²	65.9	34%	0.338	35%	0.351	S	S	.	.	H	α-helix	trans	-61.5	-41.8	174	-59.6	169.8	0	0	0	110.7	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.25Å; Y108-I166 HydrophobicContact CE1-CG2 4.07Å; Y108-I166 HydrophobicContact CE2-CB 4.36Å; Y108-I166 HydrophobicContact CE2-CG2 4.11Å; Y108-I166 HydrophobicContact CG-CD1 4.3Å; A163-I166 WeakPolarHBondContact O-CB 3.36Å; A163-I166 PolarHBondContact O-N 2.76Å; A164-I166 PolarHBondContact O-N 2.75Å; I166-K170 HydrophobicContact CG2-CD 4.48Å; I166-K170 WeakPolarHBondContact O-CG 3.45Å; I166-K170 PolarHBondContact O-N 3.08Å
167	T	98.4	Very high	98.3	Very high	16 Å²	16	64.4 Å²	64.4	10%	0.098	34%	0.342	C	S	.	.	H	α-helix	trans	-71.3	-42.1	177.3	-67.6	0	0	0	0	111.3	Y147 I148 A164 Q165 L169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 WeakPolarHBondContact OH-CB 3.36Å; Y147-T167 PolarHBondContact OH-OG1 2.82Å; I148-T167 HydrophobicContact CD1-CG2 4.18Å; A164-T167 WeakPolarHBondContact O-CA 3.33Å; A164-T167 WeakPolarHBondContact O-CB 3.44Å; A164-T167 PolarHBondContact O-N 3.07Å; Q165-T167 VanDerWaalsContact C-N 3.3Å; Q165-T167 PolarHBondContact O-N 3.23Å; T167-L169 PolarHBondContact O-N 3.01Å; T167-K170 PolarHBondContact O-N 3.19Å; T167-W171 HydrophobicContact CG2-CD2 3.76Å; T167-W171 HydrophobicContact CG2-CE3 4.23Å; T167-W171 HydrophobicContact CG2-CG 4.14Å; T167-W171 HydrophobicContact CG2-CH2 4.28Å; T167-W171 HydrophobicContact CG2-CZ2 3.84Å; T167-W171 HydrophobicContact CG2-CZ3 4.46Å; T167-W171 WeakPolarHBondContact O-CB 3.24Å; T167-W171 PolarHBondContact O-N 2.78Å
168	Q	98.6	Very high	98.3	Very high	41 Å²	41	69.4 Å²	69.4	19%	0.192	37%	0.365	C	S	.	.	H	α-helix	trans	-52.4	-54	174.9	176.1	173.9	14.5	0	0	111.5	I148 W157 A159 A164 Q165 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.88Å; W157-Q168 HydrophobicContact CB-CG 4.19Å; W157-Q168 PolarHBondContact O-NE2 3.21Å; A159-Q168 HydrophobicContact CB-CB 4.37Å; A164-Q168 PolarHBondContact O-N 2.92Å; Q165-Q168 PolarHBondContact O-N 2.72Å; Q168-K170 VanDerWaalsContact C-N 3.27Å; Q168-K170 PolarHBondContact O-N 3.34Å; Q168-W171 PolarHBondContact O-N 3.37Å; Q168-W171 VanDerWaalsContact O-N 3.1Å; Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.42Å; Q168-E172 PolarHBondContact NE2-OE1 3.14Å; Q168-E172 WeakPolarHBondContact O-CB 3.4Å; Q168-E172 WeakPolarHBondContact O-CG 3.17Å; Q168-E172 PolarHBondContact O-N 3.47Å
169	L	98.5	Very high	98.2	Very high	117 Å²	117	71.4 Å²	71.4	61%	0.613	37%	0.369	S	S	*	.	H	α-helix	trans	-58.4	-39.3	179.9	-70.5	169.8	0	0	0	112.5	Q165 T167 A173	Q165-L169 WeakPolarHBondContact O-CG 3.47Å; Q165-L169 PolarHBondContact O-N 3.11Å; T167-L169 PolarHBondContact O-N 3.01Å; L169-A173 WeakPolarHBondContact O-CB 3.05Å; L169-A173 PolarHBondContact O-N 2.93Å
170	K	98.1	Very high	98.2	Very high	111 Å²	111	73.4 Å²	73.4	48%	0.483	37%	0.372	S	S	.	.	H	α-helix	trans	-66.8	-42.5	177	-72.5	174.8	-178.1	-178.1	0	111.9	Y108 I166 T167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 3.22Å; I166-K170 HydrophobicContact CG2-CD 4.48Å; I166-K170 WeakPolarHBondContact O-CG 3.45Å; I166-K170 PolarHBondContact O-N 3.08Å; T167-K170 PolarHBondContact O-N 3.19Å; Q168-K170 VanDerWaalsContact C-N 3.27Å; Q168-K170 PolarHBondContact O-N 3.34Å; K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.34Å; K170-A174 PolarHBondContact O-N 3.04Å
171	W	98.3	Very high	98.2	Very high	48 Å²	48	74 Å²	74	18%	0.182	36%	0.361	C	S	.	.	H	α-helix	trans	-72.7	-35.5	-178.8	-76.3	7.3	0	0	0	112.7	F140 I148 W157 T167 Q168 A174 R175 E176	F140-W171 AromaticContact CD2-CH2 3.83Å; F140-W171 HydrophobicContact CD2-CH2 3.83Å; F140-W171 HydrophobicContact CD2-CZ3 4.29Å; F140-W171 AromaticContact CE2-CH2 3.45Å; F140-W171 HydrophobicContact CE2-CH2 3.45Å; F140-W171 VanDerWaalsContact CE2-CH2 3.45Å; F140-W171 HydrophobicContact CE2-CZ2 4.5Å; F140-W171 HydrophobicContact CE2-CZ3 4.04Å; F140-W171 AromaticContact CZ-CH2 3.88Å; F140-W171 HydrophobicContact CZ-CH2 3.88Å; I148-W171 HydrophobicContact CD1-CE3 4.1Å; I148-W171 HydrophobicContact CD1-CZ3 4.3Å; I148-W171 HydrophobicContact CG2-CH2 4Å; I148-W171 HydrophobicContact CG2-CZ3 3.7Å; W157-W171 AromaticContact CD2-CE3 3.95Å; W157-W171 HydrophobicContact CD2-CE3 3.95Å; W157-W171 HydrophobicContact CD2-CZ3 4.48Å; W157-W171 AromaticContact CE2-CE3 3.81Å; W157-W171 AromaticContact CE3-CE3 3.81Å; W157-W171 HydrophobicContact CE3-CE3 3.81Å; W157-W171 AromaticContact CE3-CZ3 3.87Å; W157-W171 HydrophobicContact CE3-CZ3 3.87Å; W157-W171 AromaticContact CH2-CE3 3.4Å; W157-W171 HydrophobicContact CH2-CE3 3.4Å; W157-W171 VanDerWaalsContact CH2-CE3 3.4Å; W157-W171 AromaticContact CH2-CZ3 3.44Å; W157-W171 HydrophobicContact CH2-CZ3 3.44Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.44Å; W157-W171 HydrophobicContact CZ2-CD2 4.44Å; W157-W171 AromaticContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CZ3 4.1Å; W157-W171 AromaticContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CE3 3.56Å; W157-W171 AromaticContact CZ3-CZ3 3.33Å; W157-W171 HydrophobicContact CZ3-CZ3 3.33Å; T167-W171 HydrophobicContact CG2-CD2 3.76Å; T167-W171 HydrophobicContact CG2-CE3 4.23Å; T167-W171 HydrophobicContact CG2-CG 4.14Å; T167-W171 HydrophobicContact CG2-CH2 4.28Å; T167-W171 HydrophobicContact CG2-CZ2 3.84Å; T167-W171 HydrophobicContact CG2-CZ3 4.46Å; T167-W171 WeakPolarHBondContact O-CB 3.24Å; T167-W171 PolarHBondContact O-N 2.78Å; Q168-W171 PolarHBondContact O-N 3.37Å; Q168-W171 VanDerWaalsContact O-N 3.1Å; W171-A174 CarbonylContact O-C 3.47Å; W171-A174 PolarHBondContact O-N 3.39Å; W171-R175 PolarHBondContact O-N 2.9Å; W171-E176 HydrophobicContact CB-CB 3.94Å; W171-E176 HydrophobicContact CB-CG 3.98Å; W171-E176 HydrophobicContact CD2-CG 4.46Å; W171-E176 HydrophobicContact CG-CB 4.11Å; W171-E176 HydrophobicContact CG-CG 3.85Å; W171-E176 PolarHBondContact O-N 3.43Å
172	E	98.4	Very high	98.2	Very high	86 Å²	86	74.3 Å²	74.3	40%	0.402	37%	0.372	S	S	.	.	H	α-helix	trans	-64.9	-46.9	172	-73.1	171.5	176.2	0	0	110.9	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.42Å; Q168-E172 PolarHBondContact NE2-OE1 3.14Å; Q168-E172 WeakPolarHBondContact O-CB 3.4Å; Q168-E172 WeakPolarHBondContact O-CG 3.17Å; Q168-E172 PolarHBondContact O-N 3.47Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 3.09Å; E172-R175 PolarHBondContact O-N 3.33Å
173	A	98.3	Very high	98.2	Very high	88 Å²	88	68.5 Å²	68.5	73%	0.727	35%	0.346	S	S	*	.	H	α-helix	trans	-60.7	-35.9	175.5	0	0	0	0	0	112.7	L169 R175	L169-A173 WeakPolarHBondContact O-CB 3.05Å; L169-A173 PolarHBondContact O-N 2.93Å; A173-R175 VanDerWaalsContact C-N 3.34Å
174	A	97.9	Very high	98.2	Very high	55 Å²	55	68.2 Å²	68.2	46%	0.455	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-1.6	176.9	0	0	0	0	0	114.2	K170 W171 E172 E176	K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.34Å; K170-A174 PolarHBondContact O-N 3.04Å; W171-A174 CarbonylContact O-C 3.47Å; W171-A174 PolarHBondContact O-N 3.39Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 3.09Å; A174-E176 HydrophobicContact CB-CG 4.13Å; A174-E176 PolarHBondContact O-N 2.84Å
175	R	97.7	Very high	98.2	Very high	160 Å²	160	72.3 Å²	72.3	60%	0.604	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	37.8	-176.2	-57.1	-179.8	175	-155.7	4.2	113.8	W171 E172 A173 A177 E178	W171-R175 PolarHBondContact O-N 2.9Å; E172-R175 PolarHBondContact O-N 3.33Å; A173-R175 VanDerWaalsContact C-N 3.34Å; R175-A177 PolarHBondContact O-N 2.71Å; R175-A177 VanDerWaalsContact O-N 3.15Å; R175-E178 HydrophobicContact CB-CG 4.23Å; R175-E178 WeakPolarHBondContact CD-OE1 3.4Å; R175-E178 IonicContact NH1-OE1 3.38Å; R175-E178 PolarHBondContact NH1-OE1 2.82Å; R175-E178 WeakPolarHBondContact O-CB 3.26Å; R175-E178 PolarHBondContact O-N 3.27Å
176	E	97.6	Very high	98.2	Very high	43 Å²	43	68.7 Å²	68.7	20%	0.201	35%	0.351	C	S	.	.	H	α-helix	trans	-57.7	-32.1	-178.6	-75.7	-79	165.7	0	0	112.5	W157 W171 A174 E178 Q179 R180	W157-E176 HydrophobicContact CZ2-CB 4.21Å; W171-E176 HydrophobicContact CB-CB 3.94Å; W171-E176 HydrophobicContact CB-CG 3.98Å; W171-E176 HydrophobicContact CD2-CG 4.46Å; W171-E176 HydrophobicContact CG-CB 4.11Å; W171-E176 HydrophobicContact CG-CG 3.85Å; W171-E176 PolarHBondContact O-N 3.43Å; A174-E176 HydrophobicContact CB-CG 4.13Å; A174-E176 PolarHBondContact O-N 2.84Å; E176-E178 VanDerWaalsContact C-N 3.27Å; E176-E178 PolarHBondContact O-N 3.22Å; E176-Q179 PolarHBondContact O-N 3.49Å; E176-R180 WeakPolarHBondContact O-CG 3.11Å; E176-R180 PolarHBondContact O-N 3.42Å; E176-R180 IonicContact OE2-NH2 2.92Å; E176-R180 PolarHBondContact OE2-NH2 3.44Å
177	A	98.3	Very high	98.1	Very high	9 Å²	9	67.9 Å²	67.9	7%	0.074	35%	0.35	C	S	.	.	H	α-helix	trans	-58.7	-37.2	177.3	0	0	0	0	0	112.3	L150 R155 W157 R175 Q179 R180 R181	L150-A177 HydrophobicContact CD1-CB 4.02Å; R155-A177 WeakPolarHBondContact O-CB 3.39Å; W157-A177 HydrophobicContact CZ2-CB 4.3Å; R175-A177 PolarHBondContact O-N 2.71Å; R175-A177 VanDerWaalsContact O-N 3.15Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 3.4Å; A177-R180 PolarHBondContact O-N 3.31Å; A177-R181 WeakPolarHBondContact O-CB 3.27Å; A177-R181 PolarHBondContact O-N 2.92Å
178	E	98.1	Very high	98.1	Very high	115 Å²	115	67.1 Å²	67.1	54%	0.537	35%	0.345	S	S	.	.	H	α-helix	trans	-62.9	-41.8	178.8	-63.9	178.7	-178.1	0	0	111.2	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.23Å; R175-E178 WeakPolarHBondContact CD-OE1 3.4Å; R175-E178 IonicContact NH1-OE1 3.38Å; R175-E178 PolarHBondContact NH1-OE1 2.82Å; R175-E178 WeakPolarHBondContact O-CB 3.26Å; R175-E178 PolarHBondContact O-N 3.27Å; E176-E178 VanDerWaalsContact C-N 3.27Å; E176-E178 PolarHBondContact O-N 3.22Å; E178-A182 WeakPolarHBondContact O-CB 3.29Å; E178-A182 PolarHBondContact O-N 3.06Å
179	Q	96.9	Very high	98.1	Very high	121 Å²	121	65.5 Å²	65.5	57%	0.565	34%	0.338	S	S	*	.	H	α-helix	trans	-68.1	-41.6	177.3	-62	-175.9	10	0	0	112	E176 A177 A182 Y183	E176-Q179 PolarHBondContact O-N 3.49Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 3.4Å; Q179-A182 PolarHBondContact O-N 3.5Å; Q179-Y183 PolarHBondContact O-N 3.28Å; Q179-Y183 VanDerWaalsContact O-N 3.13Å
180	R	98	Very high	98.1	Very high	63 Å²	63	65.8 Å²	65.8	24%	0.238	34%	0.336	C	S	.	.	H	α-helix	trans	-64.5	-44.7	176.9	-61.5	-60.3	165.2	-155	-7.7	110.8	R121 L150 W157 E176 A177 Y183 L184	R121-R180 VanDerWaalsContact NH2-NH1 3.13Å; L150-R180 HydrophobicContact CD2-CB 4Å; W157-R180 HydrophobicContact CH2-CG 4.26Å; E176-R180 WeakPolarHBondContact O-CG 3.11Å; E176-R180 PolarHBondContact O-N 3.42Å; E176-R180 IonicContact OE2-NH2 2.92Å; E176-R180 PolarHBondContact OE2-NH2 3.44Å; A177-R180 PolarHBondContact O-N 3.31Å; R180-Y183 PolarHBondContact O-N 2.82Å; R180-L184 WeakPolarHBondContact O-CB 3.34Å; R180-L184 WeakPolarHBondContact O-CG 3.47Å; R180-L184 PolarHBondContact O-N 2.85Å
181	R	98.4	Very high	98.1	Very high	73 Å²	73	62.7 Å²	62.7	28%	0.275	32%	0.321	S	S	.	.	H	α-helix	trans	-59	-47.8	176	-175.2	173.3	-180	-137.9	-13.8	111.9	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.11Å; L154-R181 HydrophobicContact CB-CG 3.88Å; L154-R181 HydrophobicContact CD1-CG 4.23Å; A177-R181 WeakPolarHBondContact O-CB 3.27Å; A177-R181 PolarHBondContact O-N 2.92Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 2.99Å; R181-L184 PolarHBondContact O-N 3.34Å; R181-L184 VanDerWaalsContact O-N 3.15Å; R181-E185 HydrophobicContact CG-CG 4.09Å; R181-E185 IonicContact CZ-OE1 3.62Å; R181-E185 VanDerWaalsContact CZ-OE1 3.28Å; R181-E185 IonicContact CZ-OE2 3.42Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 3.31Å; R181-E185 PolarHBondContact NE-OE1 3.46Å; R181-E185 IonicContact NE-OE2 3.71Å; R181-E185 PolarHBondContact NE-OE2 3.29Å; R181-E185 IonicContact NH2-OE1 3.47Å; R181-E185 PolarHBondContact NH2-OE1 2.99Å; R181-E185 IonicContact NH2-OE2 3.48Å; R181-E185 PolarHBondContact NH2-OE2 2.62Å; R181-E185 WeakPolarHBondContact O-CB 3.23Å; R181-E185 PolarHBondContact O-N 3.27Å
182	A	98.4	Very high	98.1	Very high	64 Å²	64	60.4 Å²	60.4	53%	0.529	31%	0.313	S	S	.	.	H	α-helix	trans	-58.5	-40.8	177.6	0	0	0	0	0	112.6	E178 Q179 G186	E178-A182 WeakPolarHBondContact O-CB 3.29Å; E178-A182 PolarHBondContact O-N 3.06Å; Q179-A182 PolarHBondContact O-N 3.5Å; A182-G186 PolarHBondContact O-N 3.5Å; A182-G186 VanDerWaalsContact O-N 3.12Å
183	Y	98.3	Very high	98	Very high	55 Å²	55	62.1 Å²	62.1	22%	0.216	32%	0.315	C	S	.	.	I	π-helix	trans	-66.1	-46.1	174	172.7	-95	0	0	0	112.3	Y123 Q179 R180 R181 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.81Å; Y123-Y183 HydrophobicContact CD2-CE1 3.81Å; Y123-Y183 AromaticContact CE2-CE1 3.66Å; Y123-Y183 HydrophobicContact CE2-CE1 3.66Å; Y123-Y183 AromaticContact CE2-CZ 3.9Å; Q179-Y183 PolarHBondContact O-N 3.28Å; Q179-Y183 VanDerWaalsContact O-N 3.13Å; R180-Y183 PolarHBondContact O-N 2.82Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 2.99Å; Y183-T187 HydrophobicContact CD2-CG2 3.91Å; Y183-T187 HydrophobicContact CE2-CG2 3.67Å; Y183-T187 PolarHBondContact O-N 2.6Å; Y183-T187 VanDerWaalsContact O-N 3.14Å; Y183-C188 HydrophobicContact CD1-CB 4.34Å; Y183-C188 HydrophobicContact CE1-CB 3.92Å; Y183-C188 WeakPolarHBondContact O-CB 3.32Å; Y183-C188 PolarHBondContact O-N 3.43Å
184	L	98.6	Very high	98	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.01	30%	0.303	C	S	.	.	I	π-helix	trans	-70.4	-39.2	-174.6	-70.4	171.7	0	0	0	112.7	G124 L150 L154 R180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.35Å; L150-L184 HydrophobicContact CD2-CD1 3.93Å; L154-L184 HydrophobicContact CD2-CD1 4Å; R180-L184 WeakPolarHBondContact O-CB 3.34Å; R180-L184 WeakPolarHBondContact O-CG 3.47Å; R180-L184 PolarHBondContact O-N 2.85Å; R181-L184 PolarHBondContact O-N 3.34Å; R181-L184 VanDerWaalsContact O-N 3.15Å; L184-V189 WeakPolarHBondContact O-CG2 3.44Å
185	E	98.1	Very high	98	Very high	86 Å²	86	61.1 Å²	61.1	40%	0.402	28%	0.281	S	S	.	.	I	π-helix	trans	-80	-25.8	177.9	-68.9	-179.5	166.5	0	0	113.1	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.39Å; L133-E185 HydrophobicContact CD2-CG 3.68Å; L154-E185 HydrophobicContact CD1-CG 4.18Å; R181-E185 HydrophobicContact CG-CG 4.09Å; R181-E185 IonicContact CZ-OE1 3.62Å; R181-E185 VanDerWaalsContact CZ-OE1 3.28Å; R181-E185 IonicContact CZ-OE2 3.42Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 3.31Å; R181-E185 PolarHBondContact NE-OE1 3.46Å; R181-E185 IonicContact NE-OE2 3.71Å; R181-E185 PolarHBondContact NE-OE2 3.29Å; R181-E185 IonicContact NH2-OE1 3.47Å; R181-E185 PolarHBondContact NH2-OE1 2.99Å; R181-E185 IonicContact NH2-OE2 3.48Å; R181-E185 PolarHBondContact NH2-OE2 2.62Å; R181-E185 WeakPolarHBondContact O-CB 3.23Å; R181-E185 PolarHBondContact O-N 3.27Å
186	G	98	Very high	97.9	Very high	23 Å²	23	54.1 Å²	54.1	24%	0.237	26%	0.256	C	S	.	.	I	π-helix	trans	-107.1	-90.1	-179	0	0	0	0	0	112.5	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.5Å; A182-G186 VanDerWaalsContact O-N 3.12Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 2.91Å; G186-V189 PolarHBondContact O-N 2.84Å; G186-V189 VanDerWaalsContact O-N 3.09Å; G186-E190 WeakPolarHBondContact O-CG 3.2Å; G186-E190 PolarHBondContact O-N 3.22Å
187	T	98.1	Very high	97.8	Very high	49 Å²	49	57.9 Å²	57.9	30%	0.301	27%	0.273	S	S	.	.	I	π-helix	trans	-53.1	-43.6	-170.7	-55.5	0	0	0	0	113.2	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.91Å; Y183-T187 HydrophobicContact CE2-CG2 3.67Å; Y183-T187 PolarHBondContact O-N 2.6Å; Y183-T187 VanDerWaalsContact O-N 3.14Å; T187-V189 PolarHBondContact O-N 3.47Å; T187-E190 PolarHBondContact O-N 3.07Å; T187-W191 VanDerWaalsContact CG2-CD1 3.45Å; T187-W191 WeakPolarHBondContact O-CB 3.43Å; T187-W191 PolarHBondContact O-N 2.58Å
188	C	98.4	Very high	97.7	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.6	-47.9	-179.8	-170	0	0	0	0	111.6	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.19Å; M29-C188 WeakPolarHBondContact CE-O 3.46Å; M29-C188 WeakPolarHBondContact CE-SG 3.42Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.35Å; C125-C188 PolarHBondContact N-SG 3.16Å; C125-C188 WeakPolarHBondContact SG-CB 3.33Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.85Å; Y183-C188 HydrophobicContact CD1-CB 4.34Å; Y183-C188 HydrophobicContact CE1-CB 3.92Å; Y183-C188 WeakPolarHBondContact O-CB 3.32Å; Y183-C188 PolarHBondContact O-N 3.43Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 2.91Å; C188-W191 PolarHBondContact O-N 3.42Å; C188-L192 WeakPolarHBondContact O-CB 3.47Å; C188-L192 PolarHBondContact O-N 3.28Å
189	V	98.3	Very high	97.6	Very high	7 Å²	7	54.5 Å²	54.5	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-61.9	-45.9	178.4	176.4	0	0	0	0	111	L127 L133 L184 G186 T187 L192 R193	L127-V189 HydrophobicContact CD1-CG1 4.48Å; L127-V189 HydrophobicContact CD2-CB 4.18Å; L127-V189 HydrophobicContact CD2-CG1 3.79Å; L127-V189 HydrophobicContact CD2-CG2 3.84Å; L133-V189 HydrophobicContact CB-CG2 4.05Å; L133-V189 HydrophobicContact CD1-CG2 4.07Å; L184-V189 WeakPolarHBondContact O-CG2 3.44Å; G186-V189 PolarHBondContact O-N 2.84Å; G186-V189 VanDerWaalsContact O-N 3.09Å; T187-V189 PolarHBondContact O-N 3.47Å; V189-L192 PolarHBondContact O-N 3Å; V189-R193 WeakPolarHBondContact O-CG 3.46Å; V189-R193 PolarHBondContact O-N 2.87Å
190	E	98.1	Very high	97.4	Very high	124 Å²	124	53.7 Å²	53.7	58%	0.579	25%	0.253	S	S	*	.	H	α-helix	trans	-60.9	-46.8	179.6	-71	173.6	174.6	0	0	112.1	G186 T187 R194	G186-E190 WeakPolarHBondContact O-CG 3.2Å; G186-E190 PolarHBondContact O-N 3.22Å; T187-E190 PolarHBondContact O-N 3.07Å; E190-R194 PolarHBondContact O-N 3.28Å; E190-R194 VanDerWaalsContact O-N 3.08Å
191	W	98.1	Very high	97.1	Very high	45 Å²	45	59.9 Å²	59.9	17%	0.17	28%	0.281	C	S	.	.	H	α-helix	trans	-68.7	-41.3	179.4	-82.3	99.6	0	0	0	112.4	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.04Å; M29-W191 HydrophobicContact SD-CB 4.42Å; Y83-W191 AromaticContact CD2-CH2 3.51Å; Y83-W191 HydrophobicContact CD2-CH2 3.51Å; Y83-W191 HydrophobicContact CD2-CZ2 4.24Å; Y83-W191 AromaticContact CD2-CZ3 3.75Å; Y83-W191 HydrophobicContact CD2-CZ3 3.75Å; Y83-W191 HydrophobicContact CE2-CE3 4.2Å; Y83-W191 AromaticContact CE2-CH2 3.84Å; Y83-W191 HydrophobicContact CE2-CH2 3.84Å; Y83-W191 HydrophobicContact CE2-CZ2 4.46Å; Y83-W191 AromaticContact CE2-CZ3 3.67Å; Y83-W191 HydrophobicContact CE2-CZ3 3.67Å; T187-W191 VanDerWaalsContact CG2-CD1 3.45Å; T187-W191 WeakPolarHBondContact O-CB 3.43Å; T187-W191 PolarHBondContact O-N 2.58Å; C188-W191 PolarHBondContact O-N 3.42Å; W191-R193 VanDerWaalsContact C-N 3.35Å; W191-R193 PolarHBondContact O-N 3.09Å; W191-R194 WeakPolarHBondContact O-CB 3.49Å; W191-R194 PolarHBondContact O-N 3.02Å; W191-Y195 HydrophobicContact CB-CE2 4.1Å; W191-Y195 HydrophobicContact CE3-CD1 4.42Å; W191-Y195 AromaticContact CE3-CE1 3.52Å; W191-Y195 HydrophobicContact CE3-CE1 3.52Å; W191-Y195 HydrophobicContact CE3-CE2 4.22Å; W191-Y195 AromaticContact CE3-CZ 3.39Å; W191-Y195 AromaticContact CZ3-CE1 3.89Å; W191-Y195 HydrophobicContact CZ3-CE1 3.89Å; W191-Y195 VanDerWaalsContact O-CD2 3.3Å; W191-Y195 WeakPolarHBondContact O-CD2 3.47Å; W191-Y195 VanDerWaalsContact O-CG 3.24Å; W191-Y195 PolarHBondContact O-N 2.65Å
192	L	98.3	Very high	96.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.8	-44.6	176.5	175.3	50.3	0	0	0	111.1	H27 M29 V52 L127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.45Å; M29-L192 HydrophobicContact CB-CB 4.07Å; M29-L192 HydrophobicContact CB-CD1 4.05Å; M29-L192 HydrophobicContact CB-CD2 3.97Å; M29-L192 HydrophobicContact CB-CG 4.25Å; M29-L192 HydrophobicContact CE-CB 4.3Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; L127-L192 HydrophobicContact CB-CD2 4.5Å; L127-L192 HydrophobicContact CD1-CB 4.22Å; L127-L192 HydrophobicContact CD1-CD2 3.69Å; L127-L192 HydrophobicContact CD1-CG 3.73Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.22Å; C188-L192 WeakPolarHBondContact O-CB 3.47Å; C188-L192 PolarHBondContact O-N 3.28Å; V189-L192 PolarHBondContact O-N 3Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.47Å; L192-Y195 PolarHBondContact O-N 3.16Å; L192-L196 HydrophobicContact CD1-CD1 3.84Å; L192-L196 HydrophobicContact CD1-CD2 4.37Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.41Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.45Å; L192-L196 PolarHBondContact O-N 3.25Å
193	R	96.9	Very high	96.3	Very high	122 Å²	122	55.8 Å²	55.8	46%	0.46	26%	0.258	S	S	.	.	H	α-helix	trans	-59	-43.9	174.1	-72.1	174.8	-176.8	164.7	-0.8	112.4	L127 G131 V189 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.96Å; G131-R193 VanDerWaalsContact O-CZ 3.3Å; G131-R193 PolarHBondContact O-NE 3.27Å; G131-R193 VanDerWaalsContact O-NE 3.08Å; G131-R193 PolarHBondContact O-NH2 3.07Å; V189-R193 WeakPolarHBondContact O-CG 3.46Å; V189-R193 PolarHBondContact O-N 2.87Å; W191-R193 VanDerWaalsContact C-N 3.35Å; W191-R193 PolarHBondContact O-N 3.09Å; R193-L196 PolarHBondContact O-N 2.86Å; R193-E197 PolarHBondContact O-N 2.75Å
194	R	97.1	Very high	95.9	Very high	121 Å²	121	57.5 Å²	57.5	46%	0.457	27%	0.268	S	S	.	.	H	α-helix	trans	-60.9	-44.5	176.3	179.2	179.8	174.6	112.3	-5.7	111.5	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 2.99Å; E79-R194 IonicContact OE1-NE 3.5Å; E79-R194 PolarHBondContact OE1-NE 2.87Å; E79-R194 IonicContact OE1-NH2 2.7Å; E79-R194 PolarHBondContact OE1-NH2 2.8Å; E79-R194 IonicContact OE2-CZ 2.72Å; E79-R194 IonicContact OE2-NE 3.62Å; E79-R194 PolarHBondContact OE2-NE 3.49Å; E79-R194 IonicContact OE2-NH2 3.55Å; E79-R194 PolarHBondContact OE2-NH2 2.94Å; E190-R194 PolarHBondContact O-N 3.28Å; E190-R194 VanDerWaalsContact O-N 3.08Å; W191-R194 WeakPolarHBondContact O-CB 3.49Å; W191-R194 PolarHBondContact O-N 3.02Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.47Å; R194-E197 PolarHBondContact O-N 3.16Å; R194-N198 WeakPolarHBondContact O-CB 3.46Å; R194-N198 PolarHBondContact O-N 3.01Å; R194-N198 PolarHBondContact O-OD1 3.32Å
195	Y	97.4	Very high	95.5	Very high	1 Å²	1	61.2 Å²	61.2	0%	0.004	28%	0.282	C	S	.	.	H	α-helix	trans	-67.1	-39.5	178.7	-63	-29.7	0	0	0	112.5	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.75Å; M29-Y195 HydrophobicContact SD-CE2 3.6Å; V52-Y195 HydrophobicContact CG2-CD2 3.95Å; V52-Y195 HydrophobicContact CG2-CG 4.43Å; F57-Y195 AromaticContact CE2-CE2 3.84Å; F57-Y195 HydrophobicContact CE2-CE2 3.84Å; F57-Y195 HydrophobicContact CZ-CD2 4.43Å; F57-Y195 AromaticContact CZ-CE2 3.84Å; F57-Y195 HydrophobicContact CZ-CE2 3.84Å; W75-Y195 HydrophobicContact CE3-CD1 4.28Å; W75-Y195 HydrophobicContact CH2-CG 4.15Å; W75-Y195 AromaticContact CZ3-CD1 3.61Å; W75-Y195 HydrophobicContact CZ3-CD1 3.61Å; W75-Y195 HydrophobicContact CZ3-CD2 4.31Å; 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 4.37Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.48Å; Y83-Y195 VanDerWaalsContact CZ-OH 3.27Å; Y83-Y195 PolarHBondContact OH-OH 3.11Å; W191-Y195 HydrophobicContact CB-CE2 4.1Å; W191-Y195 HydrophobicContact CE3-CD1 4.42Å; W191-Y195 AromaticContact CE3-CE1 3.52Å; W191-Y195 HydrophobicContact CE3-CE1 3.52Å; W191-Y195 HydrophobicContact CE3-CE2 4.22Å; W191-Y195 AromaticContact CE3-CZ 3.39Å; W191-Y195 AromaticContact CZ3-CE1 3.89Å; W191-Y195 HydrophobicContact CZ3-CE1 3.89Å; W191-Y195 VanDerWaalsContact O-CD2 3.3Å; W191-Y195 WeakPolarHBondContact O-CD2 3.47Å; W191-Y195 VanDerWaalsContact O-CG 3.24Å; W191-Y195 PolarHBondContact O-N 2.65Å; L192-Y195 PolarHBondContact O-N 3.16Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 3.08Å; Y195-N198 PolarHBondContact O-N 3.14Å; Y195-G199 WeakPolarHBondContact O-CA 3.14Å; Y195-G199 PolarHBondContact O-N 3.48Å; Y195-L203 WeakPolarHBondContact O-CD1 3.4Å
196	L	96	Very high	95.2	Very high	14 Å²	14	59.3 Å²	59.3	7%	0.073	28%	0.281	C	S	.	.	H	α-helix	trans	-62.5	-36.8	174.5	-71.4	169.6	0	0	0	112.2	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.69Å; H27-L196 HydrophobicContact CB-CD2 4Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.13Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; L192-L196 HydrophobicContact CD1-CD1 3.84Å; L192-L196 HydrophobicContact CD1-CD2 4.37Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.41Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.45Å; L192-L196 PolarHBondContact O-N 3.25Å; R193-L196 PolarHBondContact O-N 2.86Å; L196-K200 WeakPolarHBondContact O-CA 3.42Å; L196-K200 WeakPolarHBondContact O-CB 3.36Å; L196-K200 PolarHBondContact O-N 2.98Å; L196-L203 HydrophobicContact CD2-CB 4.15Å; L196-L203 HydrophobicContact CD2-CD1 4.33Å; L196-Q204 PolarHBondContact O-NE2 2.75Å; L196-Q204 VanDerWaalsContact O-NE2 3.09Å
197	E	95.8	Very high	95	Very high	122 Å²	122	61.3 Å²	61.3	57%	0.57	28%	0.284	S	S	*	.	H	α-helix	trans	-71.6	-48.6	175.1	-171.7	57.6	-148.7	0	0	111.3	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.75Å; R194-E197 PolarHBondContact O-N 3.16Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 3.08Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 3.5Å; E197-K200 WeakPolarHBondContact O-CB 3.35Å; E197-K200 PolarHBondContact O-N 3.45Å
198	N	96.6	Very high	94.9	Very high	50 Å²	50	64.3 Å²	64.3	27%	0.267	29%	0.294	S	S	.	.	H	α-helix	trans	-59.1	-42.5	178.3	-70.1	-5.6	0	0	0	112.3	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.46Å; Q78-N198 VanDerWaalsContact NE2-CB 3.26Å; Q78-N198 PolarHBondContact NE2-ND2 2.92Å; Q78-N198 PolarHBondContact NE2-OD1 2.63Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.14Å; E79-N198 PolarHBondContact OE1-ND2 2.99Å; R194-N198 WeakPolarHBondContact O-CB 3.46Å; R194-N198 PolarHBondContact O-N 3.01Å; R194-N198 PolarHBondContact O-OD1 3.32Å; Y195-N198 PolarHBondContact O-N 3.14Å
199	G	95.4	Very high	94.9	Very high	2 Å²	2	64.5 Å²	64.5	2%	0.021	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	15.1	-176.4	0	0	0	0	0	113.9	Y195 E197 K201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.14Å; Y195-G199 PolarHBondContact O-N 3.48Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 3.5Å; G199-K201 VanDerWaalsContact C-N 3.25Å; G199-K201 PolarHBondContact O-N 3.37Å; G199-T202 WeakPolarHBondContact O-CA 3.4Å; G199-T202 PolarHBondContact O-N 2.93Å; G199-L203 PolarHBondContact O-N 2.91Å
200	K	93.3	Very high	94.8	Very high	104 Å²	104	71.1 Å²	71.1	45%	0.452	32%	0.324	S	S	.	.	H	α-helix	trans	-47.9	-42.8	-170.4	-176	170.8	-172.7	169	0	114.5	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.42Å; L196-K200 WeakPolarHBondContact O-CB 3.36Å; L196-K200 PolarHBondContact O-N 2.98Å; E197-K200 WeakPolarHBondContact O-CB 3.35Å; E197-K200 PolarHBondContact O-N 3.45Å; K200-T202 PolarHBondContact O-N 2.77Å; K200-Q204 WeakPolarHBondContact O-CB 3.48Å; K200-Q204 PolarHBondContact O-N 3.1Å
201	K	91	Very high	94.8	Very high	193 Å²	193	66.9 Å²	66.9	84%	0.839	31%	0.306	S	S	*	.	H	α-helix	trans	-65.7	-24	179.6	-66.6	-177	180	177.7	0	114	G199	G199-K201 VanDerWaalsContact C-N 3.25Å; G199-K201 PolarHBondContact O-N 3.37Å
202	T	90.1	Very high	94.7	Very high	47 Å²	47	68.7 Å²	68.7	29%	0.288	32%	0.316	S	S	.	.	H	α-helix	trans	-107.8	-40.1	-175	-52.2	0	0	0	0	112.2	G199 K200 R205	G199-T202 WeakPolarHBondContact O-CA 3.4Å; G199-T202 PolarHBondContact O-N 2.93Å; K200-T202 PolarHBondContact O-N 2.77Å; T202-R205 WeakPolarHBondContact O-CD 3.06Å; T202-R205 VanDerWaalsContact O-CG 3.28Å; T202-R205 WeakPolarHBondContact O-CG 3.48Å; T202-R205 PolarHBondContact O-NE 2.84Å
203	L	91.3	Very high	94.7	Very high	4 Å²	4	69.9 Å²	69.9	2%	0.021	32%	0.324	C	S	.	.	H	α-helix	trans	-86.3	-31.5	-174.5	-63.3	172.6	0	0	0	112.8	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.12Å; V52-L203 HydrophobicContact CG1-CD1 3.87Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CG1-CG 4.49Å; T55-L203 HydrophobicContact CG2-CD2 4.1Å; W75-L203 HydrophobicContact CD2-CD1 4.42Å; W75-L203 HydrophobicContact CH2-CD1 4.39Å; W75-L203 HydrophobicContact CZ2-CD1 3.87Å; W75-L203 HydrophobicContact CZ2-CD2 4.11Å; W75-L203 HydrophobicContact CZ2-CG 4.4Å; Y195-L203 WeakPolarHBondContact O-CD1 3.4Å; L196-L203 HydrophobicContact CD2-CB 4.15Å; L196-L203 HydrophobicContact CD2-CD1 4.33Å; G199-L203 PolarHBondContact O-N 2.91Å
204	Q	89.1	Confident	94.7	Very high	92 Å²	92	65.8 Å²	65.8	43%	0.43	31%	0.312	S	S	.	.	S	Bend	trans	-102.7	26.9	178.7	-57	176.4	30.3	0	0	111.6	L196 K200	L196-Q204 PolarHBondContact O-NE2 2.75Å; L196-Q204 VanDerWaalsContact O-NE2 3.09Å; K200-Q204 WeakPolarHBondContact O-CB 3.48Å; K200-Q204 PolarHBondContact O-N 3.1Å
205	R	90.3	Very high	94.6	Very high	80 Å²	80	62.5 Å²	62.5	30%	0.302	30%	0.302	S	S	.	.			trans	-96.8	147.8	170.5	79.3	-170.8	167.1	172	2.9	108.6	T202 E207 Y233	T202-R205 WeakPolarHBondContact O-CD 3.06Å; T202-R205 VanDerWaalsContact O-CG 3.28Å; T202-R205 WeakPolarHBondContact O-CG 3.48Å; T202-R205 PolarHBondContact O-NE 2.84Å; R205-E207 WeakPolarHBondContact CD-OE1 3.44Å; R205-E207 HydrophobicContact CG-CG 4.46Å; R205-E207 IonicContact CZ-OE1 3.67Å; R205-E207 IonicContact NE-OE1 3.69Å; R205-E207 PolarHBondContact NE-OE1 2.94Å; R205-E207 IonicContact NH1-OE1 2.76Å; R205-E207 PolarHBondContact NH1-OE1 3.37Å; R205-E207 IonicContact NH2-OE1 3.1Å; R205-Y233 HydrophobicContact CG-CD1 4.09Å; R205-Y233 HydrophobicContact CG-CE1 4.5Å; R205-Y233 WeakPolarHBondContact O-CD1 3.21Å
206	A	92.1	Very high	94.5	Very high	46 Å²	46	66.3 Å²	66.3	38%	0.38	32%	0.319	S	S	.	.			trans	-119.2	121.2	163.9	0	0	0	0	0	108.4	Y233 E288	A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 VanDerWaalsContact CA-O 3.32Å; A206-Y233 WeakPolarHBondContact CA-O 3.37Å; A206-E288 HydrophobicContact CB-CB 4.4Å; A206-E288 HydrophobicContact CB-CG 4.42Å
207	E	94.3	Very high	94.4	Very high	64 Å²	64	70.3 Å²	70.3	30%	0.299	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-99.9	119.1	174.2	-65.6	-172.7	-152.8	0	0	108.1	R205 F232 Y233 H287	R205-E207 WeakPolarHBondContact CD-OE1 3.44Å; R205-E207 HydrophobicContact CG-CG 4.46Å; R205-E207 IonicContact CZ-OE1 3.67Å; R205-E207 IonicContact NE-OE1 3.69Å; R205-E207 PolarHBondContact NE-OE1 2.94Å; R205-E207 IonicContact NH1-OE1 2.76Å; R205-E207 PolarHBondContact NH1-OE1 3.37Å; R205-E207 IonicContact NH2-OE1 3.1Å; E207-F232 WeakPolarHBondContact O-CA 3.35Å; E207-F232 WeakPolarHBondContact O-CB 3.45Å; E207-Y233 PolarHBondContact N-O 2.79Å; E207-Y233 PolarHBondContact O-N 3.04Å; E207-H287 PolarHBondContact O-CE1 2.72Å; E207-H287 VanDerWaalsContact O-CE1 3.22Å
208	H	95.4	Very high	94.1	Very high	113 Å²	113	68.9 Å²	68.9	52%	0.523	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-71	146.5	-177.1	58.3	-100.4	0	0	0	111.7	K210 L290	H208-K210 PolarHBondContact O-N 3.34Å; H208-L290 HydrophobicContact CB-CD2 3.97Å
209	P	97.6	Very high	93.9	Very high	4 Å²	4	69.1 Å²	69.1	3%	0.026	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-68.1	130.8	177.8	28.3	-34.9	0	0	0	111.4	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.88Å; P209-T211 HydrophobicContact CG-CG2 4.1Å; P209-T211 PolarHBondContact O-N 2.89Å; P209-A229 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.17Å; P209-I237 HydrophobicContact CB-CD1 4Å; P209-I237 HydrophobicContact CG-CD1 4.09Å; P209-V285 HydrophobicContact CG-CG1 3.93Å; P209-H287 HydrophobicContact CG-CB 4.03Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.46Å; P209-L290 HydrophobicContact CG-CG 4.22Å
210	K	97.8	Very high	93.6	Very high	146 Å²	146	76.1 Å²	76.1	64%	0.635	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	111	163.7	-65	172.6	-172.6	166.5	0	107.8	H208 L230	H208-K210 PolarHBondContact O-N 3.34Å; K210-L230 PolarHBondContact N-O 3.24Å; K210-L230 PolarHBondContact O-N 3.41Å
211	T	97.6	Very high	93.6	Very high	35 Å²	35	78.1 Å²	78.1	22%	0.215	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	145.3	-171.6	58.2	0	0	0	0	112.8	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.88Å; P209-T211 HydrophobicContact CG-CG2 4.1Å; P209-T211 PolarHBondContact O-N 2.89Å; T211-W228 WeakPolarHBondContact CA-O 3.35Å; T211-W228 WeakPolarHBondContact CB-O 3.47Å; T211-A229 HydrophobicContact CG2-CB 4.26Å; T211-V285 HydrophobicContact CG2-CB 4.45Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.08Å; T211-L294 HydrophobicContact CG2-CD1 4.37Å; T211-L296 VanDerWaalsContact CB-CD1 3.48Å; T211-L296 HydrophobicContact CG2-CD1 4.2Å
212	H	96.5	Very high	93.8	Very high	82 Å²	82	73.3 Å²	73.3	38%	0.38	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	158.6	173.1	62.5	-75	0	0	0	110.4	W228	H212-W228 AromaticContact CD2-CD1 3.98Å; H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.47Å; H212-W228 AromaticContact CE1-CD1 3.93Å; H212-W228 AromaticContact CE1-CG 3.69Å; H212-W228 PolarHBondContact N-O 3.28Å; H212-W228 AromaticContact NE2-CD1 3.49Å; H212-W228 AromaticContact NE2-CG 3.71Å; H212-W228 PolarHBondContact O-N 3.48Å
213	V	97.9	Very high	94.1	Very high	26 Å²	26	71.1 Å²	71.1	16%	0.158	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	128.1	176	-177.5	0	0	0	0	109.3	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.37Å; V213-L225 HydrophobicContact CG1-CD2 4.43Å; V213-R226 CarbonylContact C-O 3.54Å; V213-R226 WeakPolarHBondContact CA-O 3.35Å; V213-C227 HydrophobicContact CG2-CB 4.45Å; V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.29Å; V213-W241 HydrophobicContact CG2-CH2 4.32Å; V213-L296 HydrophobicContact CG2-CB 3.83Å; V213-W298 HydrophobicContact CB-CB 4.44Å; V213-W298 HydrophobicContact CG1-CB 3.82Å
214	T	96.5	Very high	94.3	Very high	35 Å²	35	72 Å²	72	22%	0.215	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	149.4	175.2	52.9	0	0	0	0	109.9	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 2.87Å; T214-H216 VanDerWaalsContact OG1-CE1 3.31Å; T214-L225 WeakPolarHBondContact O-CA 3.15Å; T214-R226 PolarHBondContact N-O 3.45Å; T214-R226 PolarHBondContact O-N 2.86Å; T214-R226 WeakPolarHBondContact OG1-CB 3.3Å; T214-R226 PolarHBondContact OG1-O 2.87Å; T214-R226 VanDerWaalsContact OG1-O 3.09Å; T214-W228 PolarHBondContact OG1-NE1 3.03Å; T214-W228 VanDerWaalsContact OG1-NE1 3.13Å
215	H	95.5	Very high	94.7	Very high	53 Å²	53	67.6 Å²	67.6	25%	0.245	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127	-178.4	167.7	-90.4	0	0	0	109.7	A223 T224 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.39Å; H215-T224 WeakPolarHBondContact CA-O 3.32Å; H215-L225 HydrophobicContact CB-CD2 3.97Å; H215-E278 IonicContact NE2-OE1 3.49Å; H215-W298 HydrophobicContact CB-CD2 4.11Å; H215-W298 VanDerWaalsContact CB-CE2 3.41Å; H215-W298 HydrophobicContact CB-CG 4.15Å; H215-W298 HydrophobicContact CB-CZ2 3.85Å; H215-W298 AromaticContact CD2-CE2 3.79Å; H215-W298 AromaticContact CD2-CH2 3.85Å; H215-W298 AromaticContact CD2-CZ2 3.62Å; H215-W298 AromaticContact CE1-CZ2 3.92Å; H215-W298 AromaticContact CG-CE2 3.55Å; H215-W298 AromaticContact CG-CZ2 3.47Å; H215-W298 VanDerWaalsContact CG-CZ2 3.47Å; H215-W298 AromaticContact CG-NE1 3.79Å; H215-W298 AromaticContact ND1-CZ2 3.68Å; H215-W298 AromaticContact NE2-CH2 3.85Å; H215-W298 AromaticContact NE2-CZ2 3.92Å
216	H	94.4	Very high	95.1	Very high	80 Å²	80	66.2 Å²	66.2	37%	0.37	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	104.9	-178.5	-56.6	83.9	0	0	0	108.4	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 2.87Å; T214-H216 VanDerWaalsContact OG1-CE1 3.31Å; H216-V218 PolarHBondContact O-N 3.2Å; H216-A223 CarbonylContact O-C 3.57Å; H216-A223 WeakPolarHBondContact O-CA 3.3Å; H216-T224 PolarHBondContact N-O 2.77Å; H216-T224 PolarHBondContact O-N 3.46Å; H216-R226 PolarHBondContact CE1-NH1 3.14Å
217	P	93.4	Very high	95.4	Very high	99 Å²	99	64 Å²	64	64%	0.643	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.8	131.1	172.6	-19.4	29.8	0	0	0	110.3
218	V	91.3	Very high	95.6	Very high	92 Å²	92	63.4 Å²	63.4	56%	0.558	32%	0.323	S	S	*	.			trans	-104.2	-41.5	176.2	-178.9	0	0	0	0	110	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.2Å; V218-E222 PolarHBondContact N-O 3.44Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.4Å
219	S	92	Very high	95.8	Very high	54 Å²	54	58 Å²	58	38%	0.378	30%	0.298	S	S	.	.	S	Bend	trans	-148.1	-178.2	175.1	71.8	0	0	0	0	110.5	H221 E222	S219-H221 PolarHBondContact O-N 3.22Å; S219-H221 PolarHBondContact OG-N 3.4Å; S219-E222 PolarHBondContact N-O 2.88Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 3.05Å
220	D	89.5	Confident	95.8	Very high	150 Å²	150	60.3 Å²	60.3	80%	0.802	31%	0.31	S	S	*	.	S	Bend	trans	-66.3	-10.5	172.6	-65.1	-23.9	0	0	0	113.4
221	H	92.6	Very high	95.8	Very high	146 Å²	146	54.3 Å²	54.3	68%	0.676	29%	0.289	S	S	*	.	S	Bend	trans	-115.5	-15.8	-176.1	-56.9	-44.6	0	0	0	113.5	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.22Å; S219-H221 PolarHBondContact OG-N 3.4Å; H221-P274 CarbonylContact O-C 3.58Å; H221-P274 WeakPolarHBondContact O-CA 3.17Å; H221-S275 PolarHBondContact O-N 3.3Å; H221-S275 PolarHBondContact O-OG 3.19Å
222	E	94.9	Very high	95.7	Very high	92 Å²	92	52.7 Å²	52.7	43%	0.43	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	144.7	-171.5	-66.3	-178.8	163.3	0	0	112.5	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 3.44Å; S219-E222 PolarHBondContact N-O 2.88Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 3.05Å; E222-V272 HydrophobicContact CB-CG1 4.08Å; E222-V272 HydrophobicContact CG-CG1 4.32Å; E222-V273 WeakPolarHBondContact CA-O 3.29Å; E222-S275 PolarHBondContact N-OG 3.22Å
223	A	95.4	Very high	95.7	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	154.4	171.4	0	0	0	0	0	110.9	H215 H216 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.39Å; H216-A223 CarbonylContact O-C 3.57Å; H216-A223 WeakPolarHBondContact O-CA 3.3Å; A223-V273 PolarHBondContact N-O 2.94Å; A223-V273 WeakPolarHBondContact O-CG2 3.47Å; A223-V273 PolarHBondContact O-N 2.81Å
224	T	97.3	Very high	95.5	Very high	22 Å²	22	48.5 Å²	48.5	14%	0.135	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	120.5	170.7	-54.3	0	0	0	0	109.8	H215 H216 V218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.32Å; H216-T224 PolarHBondContact N-O 2.77Å; H216-T224 PolarHBondContact O-N 3.46Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.4Å; T224-A270 HydrophobicContact CG2-CB 3.91Å; T224-V271 WeakPolarHBondContact CA-O 3.41Å
225	L	97.8	Very high	95.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	127	165.5	-63.3	-176.2	0	0	0	109	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.37Å; V213-L225 HydrophobicContact CG1-CD2 4.43Å; T214-L225 WeakPolarHBondContact O-CA 3.15Å; H215-L225 HydrophobicContact CB-CD2 3.97Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 4.04Å; L225-W241 HydrophobicContact CD1-CZ3 4.21Å; L225-A270 CarbonylContact O-C 3.56Å; L225-A270 WeakPolarHBondContact O-CA 3.38Å; L225-V271 HydrophobicContact CB-CG1 4.26Å; L225-V271 PolarHBondContact N-O 2.84Å; L225-V271 PolarHBondContact O-N 3.39Å; L225-V273 HydrophobicContact CD1-CG1 4.04Å; L225-V273 HydrophobicContact CD1-CG2 4.06Å; L225-V273 HydrophobicContact CG-CG1 4.21Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; L225-E278 HydrophobicContact CD1-CB 4.08Å; L225-E278 HydrophobicContact CD1-CG 4.49Å; L225-E278 HydrophobicContact CD2-CB 4.49Å; L225-E278 HydrophobicContact CD2-CG 4.33Å; L225-W298 HydrophobicContact CD1-CB 4.36Å; L225-W298 HydrophobicContact CD2-CB 3.77Å; L225-W298 HydrophobicContact CD2-CD2 4.17Å; L225-W298 HydrophobicContact CD2-CG 3.82Å
226	R	98.1	Very high	95.5	Very high	51 Å²	51	51.4 Å²	51.4	19%	0.192	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	117.5	176.4	-178.8	-177.7	-61.7	114.3	3.9	110.6	V213 T214 H216 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.54Å; V213-R226 WeakPolarHBondContact CA-O 3.35Å; T214-R226 PolarHBondContact N-O 3.45Å; T214-R226 PolarHBondContact O-N 2.86Å; T214-R226 WeakPolarHBondContact OG1-CB 3.3Å; T214-R226 PolarHBondContact OG1-O 2.87Å; T214-R226 VanDerWaalsContact OG1-O 3.09Å; H216-R226 PolarHBondContact CE1-NH1 3.14Å; R226-W228 VanDerWaalsContact CD-CE2 3.4Å; R226-W228 HydrophobicContact CG-CZ2 4.39Å; R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.88Å; R226-W268 HydrophobicContact CG-CG 4.23Å; R226-A269 WeakPolarHBondContact CA-O 3.48Å; R226-A270 HydrophobicContact CB-CB 4Å; R226-A270 HydrophobicContact CG-CB 4.13Å
227	C	98.3	Very high	95.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	122.4	175.6	-173.3	0	0	0	0	109.6	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.45Å; C227-W241 HydrophobicContact CB-CZ2 3.65Å; C227-W268 CarbonylContact O-C 3.58Å; C227-W268 WeakPolarHBondContact O-CA 3.28Å; C227-W268 WeakPolarHBondContact O-CB 3.37Å; C227-A269 PolarHBondContact N-O 2.77Å; C227-A269 PolarHBondContact O-N 2.86Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.49Å; C227-C283 WeakPolarHBondContact SG-CB 3.21Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.19Å
228	W	98.3	Very high	95.8	Very high	50 Å²	50	46 Å²	46	19%	0.189	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	142.1	-179.9	-68.6	89.5	0	0	0	110.6	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.35Å; T211-W228 WeakPolarHBondContact CB-O 3.47Å; H212-W228 AromaticContact CD2-CD1 3.98Å; H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.47Å; H212-W228 AromaticContact CE1-CD1 3.93Å; H212-W228 AromaticContact CE1-CG 3.69Å; H212-W228 PolarHBondContact N-O 3.28Å; H212-W228 AromaticContact NE2-CD1 3.49Å; H212-W228 AromaticContact NE2-CG 3.71Å; H212-W228 PolarHBondContact O-N 3.48Å; T214-W228 PolarHBondContact OG1-NE1 3.03Å; T214-W228 VanDerWaalsContact OG1-NE1 3.13Å; R226-W228 VanDerWaalsContact CD-CE2 3.4Å; R226-W228 HydrophobicContact CG-CZ2 4.39Å; W228-L230 HydrophobicContact CE3-CD2 3.95Å; W228-W268 HydrophobicContact CD2-CB 3.98Å; W228-W268 HydrophobicContact CD2-CG 4.48Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.86Å; W228-W268 HydrophobicContact CE3-CG 4.16Å; W228-W268 HydrophobicContact CG-CB 4.41Å; W228-W268 AromaticContact CH2-CD1 3.7Å; W228-W268 HydrophobicContact CH2-CG 4.3Å; W228-W268 HydrophobicContact CZ3-CB 4.29Å; W228-W268 AromaticContact CZ3-CD1 3.39Å; W228-W268 HydrophobicContact CZ3-CG 4.08Å
229	A	98.4	Very high	96.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	122.9	162.7	0	0	0	0	0	107.8	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.85Å; T211-A229 HydrophobicContact CG2-CB 4.26Å; A229-F232 HydrophobicContact CB-CD1 4.06Å; A229-F232 HydrophobicContact CB-CE1 3.81Å; A229-F232 WeakPolarHBondContact O-CE1 3.24Å; A229-I237 HydrophobicContact CB-CD1 3.69Å; A229-L239 HydrophobicContact CB-CD1 4.05Å; A229-L239 HydrophobicContact CB-CD2 4.19Å; A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 2.99Å; A229-K267 PolarHBondContact N-O 2.85Å; A229-K267 PolarHBondContact O-N 3.09Å; A229-K267 VanDerWaalsContact O-O 3.09Å
230	L	98.3	Very high	96.4	Very high	53 Å²	53	41.2 Å²	41.2	28%	0.277	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.2	-174.9	-58.1	177	0	0	0	111	K210 W228 Q266	K210-L230 PolarHBondContact N-O 3.24Å; K210-L230 PolarHBondContact O-N 3.41Å; W228-L230 HydrophobicContact CE3-CD2 3.95Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å
231	G	97.3	Very high	96.8	Very high	20 Å²	20	34.2 Å²	34.2	21%	0.206	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.9	34.2	168.5	0	0	0	0	0	113.8	F265	G231-F265 PolarHBondContact N-O 2.87Å
232	F	97.1	Very high	97	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	155.7	179.5	59.6	-90.2	0	0	0	112.4	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.35Å; E207-F232 WeakPolarHBondContact O-CB 3.45Å; P209-F232 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.17Å; A229-F232 HydrophobicContact CB-CD1 4.06Å; A229-F232 HydrophobicContact CB-CE1 3.81Å; A229-F232 WeakPolarHBondContact O-CE1 3.24Å; F232-P234 WeakPolarHBondContact CD2-O 3.38Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CE1-CD1 3.8Å; F232-I237 HydrophobicContact CE1-CG2 4.44Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.42Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.85Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; F232-T257 HydrophobicContact CE2-CG2 4.07Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; F232-T264 CarbonylContact O-C 3.6Å; F232-T264 WeakPolarHBondContact O-CA 3.27Å; F232-F265 VanDerWaalsContact CD1-O 3.32Å; F232-F265 WeakPolarHBondContact CD1-O 3.13Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.27Å; F232-F265 WeakPolarHBondContact CE1-O 3.19Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 3.1Å; F232-F265 PolarHBondContact O-N 3.33Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.11Å; F232-H287 AromaticContact CD2-CD2 3.83Å; F232-H287 AromaticContact CD2-NE2 3.66Å
233	Y	95.5	Very high	97.1	Very high	3 Å²	3	28.3 Å²	28.3	1%	0.012	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-152	135.2	173.5	179	-83.6	0	0	0	108.8	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.09Å; T55-Y233 PolarHBondContact OG1-OH 3.5Å; R205-Y233 HydrophobicContact CG-CD1 4.09Å; R205-Y233 HydrophobicContact CG-CE1 4.5Å; R205-Y233 WeakPolarHBondContact O-CD1 3.21Å; A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 VanDerWaalsContact CA-O 3.32Å; A206-Y233 WeakPolarHBondContact CA-O 3.37Å; E207-Y233 PolarHBondContact N-O 2.79Å; E207-Y233 PolarHBondContact O-N 3.04Å; Y233-G263 WeakPolarHBondContact CD2-O 3.44Å; Y233-F265 HydrophobicContact CD2-CD2 4.42Å; Y233-F265 AromaticContact CD2-CE2 3.93Å; Y233-F265 HydrophobicContact CD2-CE2 3.93Å; Y233-F265 HydrophobicContact CE2-CE2 4.38Å; Y233-H287 PolarHBondContact O-CE1 2.95Å; Y233-H287 VanDerWaalsContact O-CE1 3.22Å
234	P	94.8	Very high	97.1	Very high	18 Å²	18	33.1 Å²	33.1	12%	0.117	17%	0.17	C	C	.	.	S	Bend	cis	-72.6	179.1	3.8	30.9	-36.7	0	0	0	113.4	D54 F232 E236 H287	D54-P234 VanDerWaalsContact OD2-CB 3.31Å; D54-P234 WeakPolarHBondContact OD2-CB 3.47Å; F232-P234 WeakPolarHBondContact CD2-O 3.38Å; P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 3.27Å; P234-H287 PolarHBondContact O-NE2 3.34Å
235	A	96.1	Very high	96.8	Very high	14 Å²	14	34.4 Å²	34.4	12%	0.116	19%	0.187	C	C	.	.	S	Bend	trans	-70.2	-25.3	-175.7	0	0	0	0	0	113.8	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.32Å; D54-A235 WeakPolarHBondContact OD2-CB 3.48Å; D54-A235 PolarHBondContact OD2-N 3.03Å; A235-I237 PolarHBondContact O-N 3.4Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; A235-F265 HydrophobicContact CB-CD1 3.73Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.7Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.74Å; A235-F265 HydrophobicContact CB-CZ 3.71Å
236	E	95.3	Very high	96.6	Very high	135 Å²	135	41.2 Å²	41.2	63%	0.631	22%	0.219	S	C	*	.			trans	-64.4	118.5	179.1	-169.5	60	-147.8	0	0	110.2	P234 H287	P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 3.27Å; E236-H287 PolarHBondContact O-CD2 2.85Å
237	I	96.4	Very high	96.5	Very high	10 Å²	10	43.3 Å²	43.3	5%	0.051	23%	0.234	C	C	.	.			trans	-154.5	142.3	-178.5	-163.8	171.8	0	0	0	109.6	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4Å; P209-I237 HydrophobicContact CG-CD1 4.09Å; A229-I237 HydrophobicContact CB-CD1 3.69Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CE1-CD1 3.8Å; F232-I237 HydrophobicContact CE1-CG2 4.44Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.42Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.85Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; A235-I237 PolarHBondContact O-N 3.4Å; I237-L239 HydrophobicContact CB-CD1 4.48Å; I237-L239 HydrophobicContact CD1-CD1 3.68Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.1Å; I237-K267 HydrophobicContact CG2-CB 4.25Å; I237-K267 HydrophobicContact CG2-CD 3.59Å; I237-V285 HydrophobicContact CD1-CG1 3.98Å; I237-V285 HydrophobicContact CG1-CG1 4.3Å; I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.36Å; I237-H287 HydrophobicContact CD1-CB 4.29Å; I237-H287 HydrophobicContact CG1-CB 4.08Å
238	T	97.3	Very high	96.3	Very high	56 Å²	56	44.6 Å²	44.6	34%	0.344	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.3	175.9	-58	0	0	0	0	109.9	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.06Å; T238-V285 WeakPolarHBondContact O-CA 3.48Å; T238-Q286 PolarHBondContact N-O 3.29Å; T238-Q286 PolarHBondContact O-N 3.01Å
239	L	97.8	Very high	95.9	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.7	173	-87.2	63	0	0	0	108.5	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.05Å; A229-L239 HydrophobicContact CB-CD2 4.19Å; I237-L239 HydrophobicContact CB-CD1 4.48Å; I237-L239 HydrophobicContact CD1-CD1 3.68Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.1Å; L239-L254 HydrophobicContact CB-CD1 4.17Å; L239-K267 HydrophobicContact CD1-CD 4.29Å; L239-K267 HydrophobicContact CD2-CB 4.38Å; L239-K267 HydrophobicContact CD2-CG 4.43Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.31Å; L239-H284 WeakPolarHBondContact CA-O 3.41Å; L239-V285 HydrophobicContact CD1-CG1 4.07Å; L239-V285 HydrophobicContact CG-CG2 4.31Å
240	T	97.4	Very high	95.5	Very high	38 Å²	38	56.3 Å²	56.3	23%	0.233	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145.8	176	57.3	0	0	0	0	111.4	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.06Å; T240-C283 CarbonylContact O-C 3.54Å; T240-C283 WeakPolarHBondContact O-CA 3.47Å; T240-H284 PolarHBondContact N-O 3.08Å; T240-H284 PolarHBondContact O-N 3.19Å
241	W	98.1	Very high	95	Very high	3 Å²	3	59 Å²	59	1%	0.011	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	137	168.7	-82.7	105.5	0	0	0	109.9	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.29Å; V213-W241 HydrophobicContact CG2-CH2 4.32Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 4.04Å; L225-W241 HydrophobicContact CD1-CZ3 4.21Å; C227-W241 HydrophobicContact CB-CZ2 3.65Å; W241-Q248 HydrophobicContact CB-CB 4.25Å; W241-Q248 PolarHBondContact O-N 2.75Å; W241-A269 PolarHBondContact NE1-O 2.7Å; W241-V271 HydrophobicContact CB-CG1 4.37Å; W241-V271 HydrophobicContact CD2-CB 4.48Å; W241-V271 HydrophobicContact CD2-CG1 3.61Å; W241-V271 HydrophobicContact CE3-CG1 4Å; W241-V271 HydrophobicContact CG-CB 4.16Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.33Å; W241-T282 WeakPolarHBondContact CA-O 3.27Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; W241-C283 HydrophobicContact CD2-CB 4.14Å; W241-C283 HydrophobicContact CE3-CB 4.08Å; W241-C283 HydrophobicContact CH2-CB 3.97Å; W241-C283 HydrophobicContact CZ2-CB 4.03Å; W241-C283 HydrophobicContact CZ3-CB 3.99Å
242	Q	97.6	Very high	94.8	Very high	42 Å²	42	59.2 Å²	59.2	20%	0.196	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	146.5	171.5	-70.1	-174.2	-6.1	0	0	110.3	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.51Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.43Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.45Å; Q242-D247 PolarHBondContact NE2-OD1 3.31Å; Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.24Å; Q242-Y281 WeakPolarHBondContact O-CA 3.37Å; Q242-T282 PolarHBondContact N-O 2.04Å; Q242-T282 PolarHBondContact O-N 3.1Å; Q242-H284 PolarHBondContact OE1-NE2 3.09Å
243	R	96.9	Very high	94.8	Very high	72 Å²	72	64.7 Å²	64.7	27%	0.272	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	117.2	168.4	-175.7	-172.4	-176.5	179.4	-2.3	108.1	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.13Å; R243-E246 PolarHBondContact N-O 3.13Å; R243-E246 PolarHBondContact O-N 3.45Å; R243-Q248 HydrophobicContact CB-CG 3.99Å; R243-E277 IonicContact CZ-OE2 3.56Å; R243-E277 IonicContact NE-OE2 2.8Å; R243-E277 IonicContact NH2-OE1 3.78Å; R243-E277 IonicContact NH2-OE2 3.7Å; R243-E277 PolarHBondContact NH2-OE2 3.08Å; R243-R280 WeakPolarHBondContact CA-O 3.37Å; R243-R280 HydrophobicContact CG-CB 4.37Å; R243-Y281 HydrophobicContact CB-CD1 4.06Å; R243-Y281 HydrophobicContact CB-CE1 3.83Å; R243-Y281 WeakPolarHBondContact CD-OH 3.49Å; R243-Y281 HydrophobicContact CG-CD1 4.41Å; R243-Y281 HydrophobicContact CG-CE1 4Å; R243-Y281 HydrophobicContact CG-CE2 4.14Å
244	D	94.4	Very high	94.9	Very high	102 Å²	102	68.8 Å²	68.8	55%	0.545	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	29.6	-175.8	-54.2	-50.2	0	0	0	114.4	R280	D244-R280 PolarHBondContact N-O 2.81Å; D244-R280 IonicContact OD1-NE 2.67Å; D244-R280 PolarHBondContact OD1-NE 3.31Å; D244-R280 IonicContact OD2-CZ 3.99Å; D244-R280 IonicContact OD2-NE 2.72Å; D244-R280 PolarHBondContact OD2-NE 2.98Å; D244-R280 IonicContact OD2-NH2 3.51Å; D244-R280 PolarHBondContact OD2-NH2 3Å
245	G	91.1	Very high	95	Very high	49 Å²	49	69.5 Å²	69.5	51%	0.505	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	-1.4	-178	0	0	0	0	0	115.5	R243	R243-G245 PolarHBondContact O-N 3.13Å
246	E	95.3	Very high	95	Very high	144 Å²	144	77.2 Å²	77.2	67%	0.673	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	127.4	176.3	-63.1	-174	169.8	0	0	111.7	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.51Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.43Å; R243-E246 PolarHBondContact N-O 3.13Å; R243-E246 PolarHBondContact O-N 3.45Å; E246-Q248 PolarHBondContact O-NE2 2.99Å
247	D	95.1	Very high	95.2	Very high	95 Å²	95	73 Å²	73	51%	0.508	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	133.3	-179.8	-70.3	-23.5	0	0	0	112.4	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.45Å; Q242-D247 PolarHBondContact NE2-OD1 3.31Å
248	Q	95.1	Very high	95.2	Very high	27 Å²	27	77.3 Å²	77.3	13%	0.126	40%	0.4	C	S	.	.			trans	-103.7	37.2	-177.5	-57.6	-59.5	-65.8	0	0	112.3	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.25Å; W241-Q248 PolarHBondContact O-N 2.75Å; R243-Q248 HydrophobicContact CB-CG 3.99Å; E246-Q248 PolarHBondContact O-NE2 2.99Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.01Å; Q248-D251 PolarHBondContact O-N 2.88Å; Q248-T252 WeakPolarHBondContact O-CB 3.39Å; Q248-T252 PolarHBondContact O-N 2.61Å; Q248-T252 PolarHBondContact O-OG1 3.14Å; Q248-Y281 HydrophobicContact CG-CE1 4.37Å
249	T	89.3	Confident	95.2	Very high	104 Å²	104	79.1 Å²	79.1	64%	0.638	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-35.7	-168.6	-50.9	0	0	0	0	114.1
250	Q	89.3	Confident	95.1	Very high	191 Å²	191	81.2 Å²	81.2	89%	0.893	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-32.2	-179.1	-67.3	-173.6	1.9	0	0	113.1	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.01Å; Q250-T252 VanDerWaalsContact C-N 3.34Å
251	D	87.3	Confident	94.9	Very high	111 Å²	111	83.1 Å²	83.1	59%	0.594	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	1.2	-177.6	-56.4	-53.4	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 2.88Å
252	T	94.9	Very high	94.6	Very high	24 Å²	24	88.4 Å²	88.4	15%	0.147	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	120	179.5	-63.7	0	0	0	0	110.8	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.39Å; Q248-T252 PolarHBondContact O-N 2.61Å; Q248-T252 PolarHBondContact O-OG1 3.14Å; Q250-T252 VanDerWaalsContact C-N 3.34Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 2.84Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; T252-A270 CarbonylContact C-O 3.6Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.41Å
253	E	96.8	Very high	94.3	Very high	114 Å²	114	88.4 Å²	88.4	53%	0.533	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	107.4	163.5	-173.8	-174.1	-170.9	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.24Å; E253-W268 HydrophobicContact CG-CH2 3.92Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 2.97Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.37Å; E253-A269 CarbonylContact O-C 3.58Å; E253-A269 WeakPolarHBondContact O-CA 3.4Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 3.14Å; E253-A270 PolarHBondContact O-N 3.15Å
254	L	96.8	Very high	94.3	Very high	89 Å²	89	85.3 Å²	85.3	47%	0.466	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	119.3	178.5	-173.5	68.4	0	0	0	110.1	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.17Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 2.84Å; L254-K267 HydrophobicContact CD1-CD 4.46Å; L254-A269 HydrophobicContact CD1-CB 3.63Å
255	V	96.8	Very high	94.5	Very high	34 Å²	34	81.8 Å²	81.8	21%	0.206	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-83.5	153.2	174.8	-64.6	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 WeakPolarHBondContact O-CE 3.46Å; V255-K267 WeakPolarHBondContact O-CG 3.41Å; V255-K267 PolarHBondContact O-NZ 3.18Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; 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 3.74Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.47Å; V255-W268 PolarHBondContact N-O 2.83Å
256	E	96.9	Very high	94.8	Very high	175 Å²	175	81.6 Å²	81.6	82%	0.818	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-57.2	147.6	167.5	-67.4	-175.8	172.7	0	0	111.2	R258	E256-R258 PolarHBondContact O-N 3.18Å
257	T	97.8	Very high	95	Very high	46 Å²	46	75.8 Å²	75.8	28%	0.282	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-67.7	129.1	174	-56.4	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.07Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.94Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; T257-K267 WeakPolarHBondContact OG1-CD 3.39Å; T257-K267 PolarHBondContact OG1-NZ 3.25Å
258	R	97.3	Very high	95.1	Very high	101 Å²	101	72.5 Å²	72.5	38%	0.381	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.7	-174.8	68.5	-169.3	-179	-174.9	3.4	111.4	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.18Å; R258-F265 WeakPolarHBondContact O-CA 3.5Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 3.1Å; R258-Q266 WeakPolarHBondContact O-CG 3.34Å; R258-Q266 PolarHBondContact O-N 2.82Å
259	P	97.1	Very high	95.3	Very high	95 Å²	95	71.2 Å²	71.2	62%	0.617	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	145.1	177.9	28.5	-34.6	0	0	0	111.2	F265	P259-F265 HydrophobicContact CB-CE1 4.34Å
260	A	96.5	Very high	95.7	Very high	50 Å²	50	66.4 Å²	66.4	41%	0.413	37%	0.37	S	S	.	.			trans	-88.3	-17.8	172.8	0	0	0	0	0	112.9	T264	A260-T264 PolarHBondContact N-O 2.67Å
261	G	92.9	Very high	96.1	Very high	77 Å²	77	57.4 Å²	57.4	79%	0.794	33%	0.329	S	S	*	.	S	Bend	trans	97.1	-8.1	178.8	0	0	0	0	0	114.9
262	D	92.4	Very high	96.6	Very high	115 Å²	115	55.8 Å²	55.8	62%	0.615	32%	0.322	S	S	*	.	S	Bend	trans	-103.9	11	176.2	61.1	0.1	0	0	0	113.1	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.5Å; D262-T264 PolarHBondContact OD1-N 3.03Å; D262-T264 PolarHBondContact OD1-OG1 2.93Å
263	G	91.3	Very high	96.6	Very high	41 Å²	41	54.7 Å²	54.7	42%	0.423	32%	0.316	S	S	.	.	S	Bend	trans	88.9	2.7	-174	0	0	0	0	0	114.3	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.44Å
264	T	96.3	Very high	96.6	Very high	8 Å²	8	51.4 Å²	51.4	5%	0.049	30%	0.304	C	S	.	.			trans	-106.9	173.6	172.4	73.7	0	0	0	0	112.2	F232 A260 D262	F232-T264 CarbonylContact O-C 3.6Å; F232-T264 WeakPolarHBondContact O-CA 3.27Å; A260-T264 PolarHBondContact N-O 2.67Å; D262-T264 WeakPolarHBondContact OD1-CB 3.5Å; D262-T264 PolarHBondContact OD1-N 3.03Å; D262-T264 PolarHBondContact OD1-OG1 2.93Å
265	F	98.1	Very high	96.3	Very high	28 Å²	28	49.9 Å²	49.9	12%	0.123	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	163	-177.2	-63.4	-85.3	0	0	0	112.4	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.66Å; G231-F265 PolarHBondContact N-O 2.87Å; F232-F265 VanDerWaalsContact CD1-O 3.32Å; F232-F265 WeakPolarHBondContact CD1-O 3.13Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.27Å; F232-F265 WeakPolarHBondContact CE1-O 3.19Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 3.1Å; F232-F265 PolarHBondContact O-N 3.33Å; Y233-F265 HydrophobicContact CD2-CD2 4.42Å; Y233-F265 AromaticContact CD2-CE2 3.93Å; Y233-F265 HydrophobicContact CD2-CE2 3.93Å; Y233-F265 HydrophobicContact CE2-CE2 4.38Å; A235-F265 HydrophobicContact CB-CD1 3.73Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.7Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.74Å; A235-F265 HydrophobicContact CB-CZ 3.71Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.94Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; R258-F265 WeakPolarHBondContact O-CA 3.5Å; P259-F265 HydrophobicContact CB-CE1 4.34Å
266	Q	98.3	Very high	96	Very high	44 Å²	44	51.4 Å²	51.4	21%	0.206	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	146	174.3	43.8	167.7	-22.8	0	0	110.1	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 2.99Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 3.1Å; R258-Q266 WeakPolarHBondContact O-CG 3.34Å; R258-Q266 PolarHBondContact O-N 2.82Å
267	K	98.5	Very high	95.9	Very high	23 Å²	23	45.6 Å²	45.6	10%	0.1	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	154.6	177.3	-162.8	-176	-172.3	69.2	0	109.1	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.85Å; A229-K267 PolarHBondContact O-N 3.09Å; A229-K267 VanDerWaalsContact O-O 3.09Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.11Å; I237-K267 HydrophobicContact CG2-CB 4.25Å; I237-K267 HydrophobicContact CG2-CD 3.59Å; L239-K267 HydrophobicContact CD1-CD 4.29Å; L239-K267 HydrophobicContact CD2-CB 4.38Å; L239-K267 HydrophobicContact CD2-CG 4.43Å; L254-K267 HydrophobicContact CD1-CD 4.46Å; V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 WeakPolarHBondContact O-CE 3.46Å; V255-K267 WeakPolarHBondContact O-CG 3.41Å; V255-K267 PolarHBondContact O-NZ 3.18Å; T257-K267 WeakPolarHBondContact OG1-CD 3.39Å; T257-K267 PolarHBondContact OG1-NZ 3.25Å
268	W	98.3	Very high	95.8	Very high	26 Å²	26	44.3 Å²	44.3	10%	0.098	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	156.3	169.2	59.1	-98.7	0	0	0	111.6	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.88Å; R226-W268 HydrophobicContact CG-CG 4.23Å; C227-W268 CarbonylContact O-C 3.58Å; C227-W268 WeakPolarHBondContact O-CA 3.28Å; C227-W268 WeakPolarHBondContact O-CB 3.37Å; W228-W268 HydrophobicContact CD2-CB 3.98Å; W228-W268 HydrophobicContact CD2-CG 4.48Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.86Å; W228-W268 HydrophobicContact CE3-CG 4.16Å; W228-W268 HydrophobicContact CG-CB 4.41Å; W228-W268 AromaticContact CH2-CD1 3.7Å; W228-W268 HydrophobicContact CH2-CG 4.3Å; W228-W268 HydrophobicContact CZ3-CB 4.29Å; W228-W268 AromaticContact CZ3-CD1 3.39Å; W228-W268 HydrophobicContact CZ3-CG 4.08Å; E253-W268 HydrophobicContact CB-CZ3 4.24Å; E253-W268 HydrophobicContact CG-CH2 3.92Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 2.97Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.37Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; 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 3.74Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.47Å; V255-W268 PolarHBondContact N-O 2.83Å; W268-A270 HydrophobicContact CE3-CB 3.95Å; W268-A270 HydrophobicContact CZ3-CB 3.65Å
269	A	98.3	Very high	95.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131.9	174	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.48Å; C227-A269 PolarHBondContact N-O 2.77Å; C227-A269 PolarHBondContact O-N 2.86Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.31Å; W241-A269 PolarHBondContact NE1-O 2.7Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; E253-A269 CarbonylContact O-C 3.58Å; E253-A269 WeakPolarHBondContact O-CA 3.4Å; L254-A269 HydrophobicContact CD1-CB 3.63Å
270	A	97.9	Very high	95.5	Very high	2 Å²	2	44.3 Å²	44.3	2%	0.017	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	145.3	179.6	0	0	0	0	0	112.1	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.91Å; L225-A270 CarbonylContact O-C 3.56Å; L225-A270 WeakPolarHBondContact O-CA 3.38Å; R226-A270 HydrophobicContact CB-CB 4Å; R226-A270 HydrophobicContact CG-CB 4.13Å; T252-A270 CarbonylContact C-O 3.6Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.41Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 3.14Å; E253-A270 PolarHBondContact O-N 3.15Å; W268-A270 HydrophobicContact CE3-CB 3.95Å; W268-A270 HydrophobicContact CZ3-CB 3.65Å
271	V	97.6	Very high	95.6	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141.6	176.1	63.1	0	0	0	0	109	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.41Å; L225-V271 HydrophobicContact CB-CG1 4.26Å; L225-V271 PolarHBondContact N-O 2.84Å; L225-V271 PolarHBondContact O-N 3.39Å; W241-V271 HydrophobicContact CB-CG1 4.37Å; W241-V271 HydrophobicContact CD2-CB 4.48Å; W241-V271 HydrophobicContact CD2-CG1 3.61Å; W241-V271 HydrophobicContact CE3-CG1 4Å; W241-V271 HydrophobicContact CG-CB 4.16Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.33Å; V271-V273 HydrophobicContact CG1-CG1 3.79Å; V271-V273 HydrophobicContact CG2-CG1 4.4Å; V271-Y281 HydrophobicContact CG1-CD1 4.09Å; V271-Y281 HydrophobicContact CG2-CD1 4.47Å; V271-Y281 HydrophobicContact CG2-CE1 4.16Å
272	V	97.1	Very high	95.8	Very high	77 Å²	77	39 Å²	39	47%	0.467	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	128.4	171.9	-178.4	0	0	0	0	108.1	E222	E222-V272 HydrophobicContact CB-CG1 4.08Å; E222-V272 HydrophobicContact CG-CG1 4.32Å
273	V	96.1	Very high	96	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	145.2	-175.2	-52.8	0	0	0	0	110.6	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.29Å; A223-V273 PolarHBondContact N-O 2.94Å; A223-V273 WeakPolarHBondContact O-CG2 3.47Å; A223-V273 PolarHBondContact O-N 2.81Å; L225-V273 HydrophobicContact CD1-CG1 4.04Å; L225-V273 HydrophobicContact CD1-CG2 4.06Å; L225-V273 HydrophobicContact CG-CG1 4.21Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; V271-V273 HydrophobicContact CG1-CG1 3.79Å; V271-V273 HydrophobicContact CG2-CG1 4.4Å; V273-E278 HydrophobicContact CG2-CG 3.85Å; V273-Y281 HydrophobicContact CB-CD2 4.01Å; V273-Y281 HydrophobicContact CB-CE2 3.67Å; V273-Y281 HydrophobicContact CG1-CD1 3.73Å; V273-Y281 HydrophobicContact CG1-CD2 3.59Å; V273-Y281 HydrophobicContact CG1-CE1 3.66Å; V273-Y281 HydrophobicContact CG1-CE2 3.52Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å
274	P	95.8	Very high	96.3	Very high	45 Å²	45	33.3 Å²	33.3	29%	0.292	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	139.8	170.3	-20.6	32.5	0	0	0	111.2	H221 G276 E277	H221-P274 CarbonylContact O-C 3.58Å; H221-P274 WeakPolarHBondContact O-CA 3.17Å; P274-G276 PolarHBondContact O-N 3.01Å; P274-E277 HydrophobicContact CB-CB 4.32Å; P274-E277 HydrophobicContact CB-CG 4.12Å; P274-E277 WeakPolarHBondContact O-CB 3.04Å; P274-E277 PolarHBondContact O-N 2.86Å
275	S	91.8	Very high	96.4	Very high	56 Å²	56	33 Å²	33	39%	0.392	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	129.3	176.7	-63	0	0	0	0	111.1	H221 E222 E278	H221-S275 PolarHBondContact O-N 3.3Å; H221-S275 PolarHBondContact O-OG 3.19Å; E222-S275 PolarHBondContact N-OG 3.22Å; S275-E278 WeakPolarHBondContact CA-OE1 3.21Å
276	G	90.8	Very high	96.3	Very high	67 Å²	67	35 Å²	35	69%	0.691	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.7	-7.9	-176.6	0	0	0	0	0	114.8	P274 E278	P274-G276 PolarHBondContact O-N 3.01Å; G276-E278 WeakPolarHBondContact CA-OE2 3.23Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.05Å; G276-E278 PolarHBondContact N-OE2 3.43Å
277	E	94.6	Very high	96.2	Very high	53 Å²	53	33.1 Å²	33.1	25%	0.248	18%	0.183	C	C	.	.			trans	-99.5	3.6	176.6	-66.3	-159.2	-154.8	0	0	113.9	R243 P274 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.56Å; R243-E277 IonicContact NE-OE2 2.8Å; R243-E277 IonicContact NH2-OE1 3.78Å; R243-E277 IonicContact NH2-OE2 3.7Å; R243-E277 PolarHBondContact NH2-OE2 3.08Å; P274-E277 HydrophobicContact CB-CB 4.32Å; P274-E277 HydrophobicContact CB-CG 4.12Å; P274-E277 WeakPolarHBondContact O-CB 3.04Å; P274-E277 PolarHBondContact O-N 2.86Å; E277-Q279 PolarHBondContact O-N 2.9Å; E277-R280 WeakPolarHBondContact O-CB 3.43Å; E277-R280 PolarHBondContact O-N 3.24Å; E277-R280 IonicContact OE1-NH1 3.92Å; E277-R280 IonicContact OE2-CZ 3.92Å; E277-R280 IonicContact OE2-NE 3.82Å; E277-R280 IonicContact OE2-NH1 3.15Å; E277-R280 PolarHBondContact OE2-NH1 2.82Å; E277-Y281 HydrophobicContact CB-CE2 4.35Å; E277-Y281 WeakPolarHBondContact O-CD2 3.05Å
278	E	94.1	Very high	95.9	Very high	19 Å²	19	35.3 Å²	35.3	9%	0.089	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-59	-30.7	-170.2	-56.5	83.3	179.4	0	0	112.8	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.49Å; L225-E278 HydrophobicContact CD1-CB 4.08Å; L225-E278 HydrophobicContact CD1-CG 4.49Å; L225-E278 HydrophobicContact CD2-CB 4.49Å; L225-E278 HydrophobicContact CD2-CG 4.33Å; V273-E278 HydrophobicContact CG2-CG 3.85Å; S275-E278 WeakPolarHBondContact CA-OE1 3.21Å; G276-E278 WeakPolarHBondContact CA-OE2 3.23Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.05Å; G276-E278 PolarHBondContact N-OE2 3.43Å; E278-R280 PolarHBondContact O-N 2.83Å; E278-Y281 PolarHBondContact O-N 3.33Å; E278-W298 HydrophobicContact CB-CD2 4.28Å; E278-W298 HydrophobicContact CB-CE3 3.24Å; E278-W298 HydrophobicContact CB-CZ3 3.53Å; E278-W298 HydrophobicContact CG-CE3 3.58Å; E278-W298 HydrophobicContact CG-CH2 4.33Å; E278-W298 HydrophobicContact CG-CZ3 3.45Å; E278-W298 VanDerWaalsContact CG-CZ3 3.45Å
279	Q	94.1	Very high	95.5	Very high	96 Å²	96	35 Å²	35	45%	0.449	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-70.7	-16.4	179.2	-63.6	-55.1	-46.8	0	0	114.4	E277 Y281 R297 W298	E277-Q279 PolarHBondContact O-N 2.9Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å; Q279-R297 PolarHBondContact O-NH1 3.36Å; Q279-W298 PolarHBondContact NE2-O 3.13Å
280	R	95.7	Very high	95.3	Very high	99 Å²	99	36.2 Å²	36.2	37%	0.374	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-78	-16.2	174.4	-62.6	174.1	67.2	178.6	6	112	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.37Å; R243-R280 HydrophobicContact CG-CB 4.37Å; D244-R280 PolarHBondContact N-O 2.81Å; D244-R280 IonicContact OD1-NE 2.67Å; D244-R280 PolarHBondContact OD1-NE 3.31Å; D244-R280 IonicContact OD2-CZ 3.99Å; D244-R280 IonicContact OD2-NE 2.72Å; D244-R280 PolarHBondContact OD2-NE 2.98Å; D244-R280 IonicContact OD2-NH2 3.51Å; D244-R280 PolarHBondContact OD2-NH2 3Å; E277-R280 WeakPolarHBondContact O-CB 3.43Å; E277-R280 PolarHBondContact O-N 3.24Å; E277-R280 IonicContact OE1-NH1 3.92Å; E277-R280 IonicContact OE2-CZ 3.92Å; E277-R280 IonicContact OE2-NE 3.82Å; E277-R280 IonicContact OE2-NH1 3.15Å; E277-R280 PolarHBondContact OE2-NH1 2.82Å; E278-R280 PolarHBondContact O-N 2.83Å
281	Y	96.9	Very high	95	Very high	7 Å²	7	42.5 Å²	42.5	3%	0.027	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	130.3	-177.5	-67.5	-98.3	0	0	0	111.3	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.24Å; Q242-Y281 WeakPolarHBondContact O-CA 3.37Å; R243-Y281 HydrophobicContact CB-CD1 4.06Å; R243-Y281 HydrophobicContact CB-CE1 3.83Å; R243-Y281 WeakPolarHBondContact CD-OH 3.49Å; R243-Y281 HydrophobicContact CG-CD1 4.41Å; R243-Y281 HydrophobicContact CG-CE1 4Å; R243-Y281 HydrophobicContact CG-CE2 4.14Å; Q248-Y281 HydrophobicContact CG-CE1 4.37Å; V271-Y281 HydrophobicContact CG1-CD1 4.09Å; V271-Y281 HydrophobicContact CG2-CD1 4.47Å; V271-Y281 HydrophobicContact CG2-CE1 4.16Å; V273-Y281 HydrophobicContact CB-CD2 4.01Å; V273-Y281 HydrophobicContact CB-CE2 3.67Å; V273-Y281 HydrophobicContact CG1-CD1 3.73Å; V273-Y281 HydrophobicContact CG1-CD2 3.59Å; V273-Y281 HydrophobicContact CG1-CE1 3.66Å; V273-Y281 HydrophobicContact CG1-CE2 3.52Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å; E277-Y281 HydrophobicContact CB-CE2 4.35Å; E277-Y281 WeakPolarHBondContact O-CD2 3.05Å; E278-Y281 PolarHBondContact O-N 3.33Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å
282	T	97.6	Very high	94.7	Very high	10 Å²	10	49.6 Å²	49.6	6%	0.061	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	133	175.2	44.6	0	0	0	0	110.7	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.27Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; Q242-T282 PolarHBondContact N-O 2.04Å; Q242-T282 PolarHBondContact O-N 3.1Å; T282-H284 PolarHBondContact OG1-NE2 3.48Å; T282-T295 HydrophobicContact CG2-CG2 3.82Å; T282-L296 CarbonylContact C-O 3.48Å; T282-L296 WeakPolarHBondContact CA-O 3.35Å; T282-R297 HydrophobicContact CG2-CG 3.55Å
283	C	97.9	Very high	94.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	127.7	168.6	173.7	0	0	0	0	109.5	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.49Å; C227-C283 WeakPolarHBondContact SG-CB 3.21Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.19Å; T240-C283 CarbonylContact O-C 3.54Å; T240-C283 WeakPolarHBondContact O-CA 3.47Å; W241-C283 HydrophobicContact CD2-CB 4.14Å; W241-C283 HydrophobicContact CE3-CB 4.08Å; W241-C283 HydrophobicContact CH2-CB 3.97Å; W241-C283 HydrophobicContact CZ2-CB 4.03Å; W241-C283 HydrophobicContact CZ3-CB 3.99Å; C283-T295 CarbonylContact O-C 3.55Å; C283-T295 WeakPolarHBondContact O-CA 3.38Å; C283-L296 HydrophobicContact CB-CB 4.26Å; C283-L296 PolarHBondContact N-O 2.82Å; C283-L296 PolarHBondContact O-N 3.34Å
284	H	97.5	Very high	94.6	Very high	36 Å²	36	52 Å²	52	17%	0.167	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	132.4	176.2	-63.6	-102.2	0	0	0	109.6	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.41Å; T240-H284 PolarHBondContact N-O 3.08Å; T240-H284 PolarHBondContact O-N 3.19Å; Q242-H284 PolarHBondContact OE1-NE2 3.09Å; T282-H284 PolarHBondContact OG1-NE2 3.48Å; H284-L294 CarbonylContact C-O 3.53Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.49Å; H284-T295 PolarHBondContact CE1-OG1 2.7Å; H284-T295 PolarHBondContact ND1-OG1 3.35Å
285	V	97.7	Very high	94.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	122.1	-178.8	-174.5	0	0	0	0	109.3	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.93Å; T211-V285 HydrophobicContact CG2-CB 4.45Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.08Å; I237-V285 HydrophobicContact CD1-CG1 3.98Å; I237-V285 HydrophobicContact CG1-CG1 4.3Å; T238-V285 WeakPolarHBondContact O-CA 3.48Å; L239-V285 HydrophobicContact CD1-CG1 4.07Å; L239-V285 HydrophobicContact CG-CG2 4.31Å; V285-L290 HydrophobicContact CG1-CD1 4.24Å; V285-P293 WeakPolarHBondContact O-CA 3.47Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.08Å; V285-L294 PolarHBondContact O-N 2.92Å; V285-L296 HydrophobicContact CG2-CD1 3.96Å
286	Q	96.9	Very high	94.8	Very high	72 Å²	72	52.9 Å²	52.9	34%	0.336	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.8	174.8	-55.5	177.6	4.6	0	0	109.3	W23 I237 T238 P293	W23-Q286 HydrophobicContact CZ2-CB 4.26Å; I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.36Å; T238-Q286 PolarHBondContact N-O 3.29Å; T238-Q286 PolarHBondContact O-N 3.01Å; Q286-P293 HydrophobicContact CG-CB 4.02Å; Q286-P293 HydrophobicContact CG-CG 4.13Å
287	H	95.2	Very high	95	Very high	3 Å²	3	56.9 Å²	56.9	1%	0.014	29%	0.287	C	S	.	.			trans	-156.9	151.2	-176.9	-171.9	-97.7	0	0	0	110.4	E207 P209 F232 Y233 P234 E236 I237 G289 L290	E207-H287 PolarHBondContact O-CE1 2.72Å; E207-H287 VanDerWaalsContact O-CE1 3.22Å; P209-H287 HydrophobicContact CG-CB 4.03Å; F232-H287 AromaticContact CD2-CD2 3.83Å; F232-H287 AromaticContact CD2-NE2 3.66Å; Y233-H287 PolarHBondContact O-CE1 2.95Å; Y233-H287 VanDerWaalsContact O-CE1 3.22Å; P234-H287 PolarHBondContact O-NE2 3.34Å; E236-H287 PolarHBondContact O-CD2 2.85Å; I237-H287 HydrophobicContact CD1-CB 4.29Å; I237-H287 HydrophobicContact CG1-CB 4.08Å; H287-G289 PolarHBondContact ND1-N 3.19Å; H287-G289 PolarHBondContact O-N 3.45Å; H287-L290 HydrophobicContact CB-CD1 3.93Å; H287-L290 HydrophobicContact CB-CG 4.14Å; H287-L290 WeakPolarHBondContact O-CB 3.48Å; H287-L290 PolarHBondContact O-N 2.99Å
288	E	91.4	Very high	94.9	Very high	69 Å²	69	58 Å²	58	32%	0.322	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-33.6	-175.1	-165.9	173.2	158.6	0	0	111.9	W23 C25 A206 L290	W23-E288 HydrophobicContact CD2-CB 4.48Å; W23-E288 HydrophobicContact CE3-CB 3.34Å; W23-E288 HydrophobicContact CE3-CG 3.61Å; W23-E288 HydrophobicContact CH2-CB 4.31Å; W23-E288 HydrophobicContact CZ3-CB 3.28Å; W23-E288 HydrophobicContact CZ3-CG 4.08Å; C25-E288 PolarHBondContact SG-OE1 3.48Å; A206-E288 HydrophobicContact CB-CB 4.4Å; A206-E288 HydrophobicContact CB-CG 4.42Å; E288-L290 PolarHBondContact O-N 3.41Å
289	G	91.3	Very high	94.3	Very high	20 Å²	20	58.9 Å²	58.9	21%	0.206	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-6.8	178.3	0	0	0	0	0	113.4	H287	H287-G289 PolarHBondContact ND1-N 3.19Å; H287-G289 PolarHBondContact O-N 3.45Å
290	L	93.4	Very high	92.5	Very high	26 Å²	26	60.4 Å²	60.4	14%	0.136	32%	0.322	C	S	.	.			trans	-98.9	127.2	178.7	-65.5	171.3	0	0	0	110.5	H208 P209 V285 H287 E288 E292 L294	H208-L290 HydrophobicContact CB-CD2 3.97Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.46Å; P209-L290 HydrophobicContact CG-CG 4.22Å; V285-L290 HydrophobicContact CG1-CD1 4.24Å; H287-L290 HydrophobicContact CB-CD1 3.93Å; H287-L290 HydrophobicContact CB-CG 4.14Å; H287-L290 WeakPolarHBondContact O-CB 3.48Å; H287-L290 PolarHBondContact O-N 2.99Å; E288-L290 PolarHBondContact O-N 3.41Å; L290-E292 WeakPolarHBondContact CB-O 3.46Å; L290-E292 PolarHBondContact O-N 3.03Å; L290-L294 HydrophobicContact CD1-CD1 3.99Å; L290-L294 HydrophobicContact CD1-CG 3.86Å; L290-L294 HydrophobicContact CD2-CD1 3.68Å; L290-L294 HydrophobicContact CD2-CD2 4.45Å; L290-L294 HydrophobicContact CD2-CG 3.89Å; L290-L294 HydrophobicContact CG-CG 4.49Å
291	P	91.6	Very high	90.3	Very high	133 Å²	133	60.6 Å²	60.6	86%	0.864	34%	0.339	S	S	*	.	S	Bend	trans	-66.1	-30.4	175.1	27.7	-34.1	0	0	0	112.1
292	E	92	Very high	87.7	Confident	153 Å²	153	65.8 Å²	65.8	72%	0.715	38%	0.376	S	S	*	.	S	Bend	trans	-141.6	148.3	175.2	-66.3	-177.6	179	0	0	109.5	L290 L294	L290-E292 WeakPolarHBondContact CB-O 3.46Å; L290-E292 PolarHBondContact O-N 3.03Å; E292-L294 PolarHBondContact O-N 3.01Å
293	P	94.6	Very high	85.1	Confident	70 Å²	70	72.7 Å²	72.7	46%	0.455	41%	0.408	S	S	.	.			trans	-53.8	136.3	173.8	-27.6	36.3	0	0	0	112.6	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.47Å; Q286-P293 HydrophobicContact CG-CB 4.02Å; Q286-P293 HydrophobicContact CG-CG 4.13Å
294	L	95.6	Very high	82.4	Confident	59 Å²	59	78.3 Å²	78.3	31%	0.309	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	140.8	175.9	-63.6	177.6	0	0	0	110.5	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.37Å; H284-L294 CarbonylContact C-O 3.53Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.49Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.08Å; V285-L294 PolarHBondContact O-N 2.92Å; L290-L294 HydrophobicContact CD1-CD1 3.99Å; L290-L294 HydrophobicContact CD1-CG 3.86Å; L290-L294 HydrophobicContact CD2-CD1 3.68Å; L290-L294 HydrophobicContact CD2-CD2 4.45Å; L290-L294 HydrophobicContact CD2-CG 3.89Å; L290-L294 HydrophobicContact CG-CG 4.49Å; E292-L294 PolarHBondContact O-N 3.01Å
295	T	96.9	Very high	79.8	Confident	83 Å²	83	82.6 Å²	82.6	51%	0.509	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	120.1	170.5	-56.7	0	0	0	0	108.9	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.82Å; C283-T295 CarbonylContact O-C 3.55Å; C283-T295 WeakPolarHBondContact O-CA 3.38Å; H284-T295 PolarHBondContact CE1-OG1 2.7Å; H284-T295 PolarHBondContact ND1-OG1 3.35Å
296	L	96.1	Very high	77.7	Confident	35 Å²	35	88 Å²	88	18%	0.183	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	142	-173.7	-60.4	155.1	0	0	0	110	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.48Å; T211-L296 HydrophobicContact CG2-CD1 4.2Å; V213-L296 HydrophobicContact CG2-CB 3.83Å; T282-L296 CarbonylContact C-O 3.48Å; T282-L296 WeakPolarHBondContact CA-O 3.35Å; C283-L296 HydrophobicContact CB-CB 4.26Å; C283-L296 PolarHBondContact N-O 2.82Å; C283-L296 PolarHBondContact O-N 3.34Å; V285-L296 HydrophobicContact CG2-CD1 3.96Å
297	R	94.9	Very high	75.5	Confident	151 Å²	151	88.9 Å²	88.9	57%	0.57	51%	0.513	S	S	*	.			trans	-122.7	155	168.8	-67.5	-173.9	-177.9	-166.4	-2.6	109.2	Q279 T282	Q279-R297 PolarHBondContact O-NH1 3.36Å; T282-R297 HydrophobicContact CG2-CG 3.55Å
298	W	92.3	Very high	73.8	Confident	76 Å²	76	94.5 Å²	94.5	29%	0.288	54%	0.542	S	S	.	.	S	Bend	trans	-72.2	129.5	168.8	172.7	65.8	0	0	0	110.2	V213 H215 L225 E278 Q279	V213-W298 HydrophobicContact CB-CB 4.44Å; V213-W298 HydrophobicContact CG1-CB 3.82Å; H215-W298 HydrophobicContact CB-CD2 4.11Å; H215-W298 VanDerWaalsContact CB-CE2 3.41Å; H215-W298 HydrophobicContact CB-CG 4.15Å; H215-W298 HydrophobicContact CB-CZ2 3.85Å; H215-W298 AromaticContact CD2-CE2 3.79Å; H215-W298 AromaticContact CD2-CH2 3.85Å; H215-W298 AromaticContact CD2-CZ2 3.62Å; H215-W298 AromaticContact CE1-CZ2 3.92Å; H215-W298 AromaticContact CG-CE2 3.55Å; H215-W298 AromaticContact CG-CZ2 3.47Å; H215-W298 VanDerWaalsContact CG-CZ2 3.47Å; H215-W298 AromaticContact CG-NE1 3.79Å; H215-W298 AromaticContact ND1-CZ2 3.68Å; H215-W298 AromaticContact NE2-CH2 3.85Å; H215-W298 AromaticContact NE2-CZ2 3.92Å; L225-W298 HydrophobicContact CD1-CB 4.36Å; L225-W298 HydrophobicContact CD2-CB 3.77Å; L225-W298 HydrophobicContact CD2-CD2 4.17Å; L225-W298 HydrophobicContact CD2-CG 3.82Å; E278-W298 HydrophobicContact CB-CD2 4.28Å; E278-W298 HydrophobicContact CB-CE3 3.24Å; E278-W298 HydrophobicContact CB-CZ3 3.53Å; E278-W298 HydrophobicContact CG-CE3 3.58Å; E278-W298 HydrophobicContact CG-CH2 4.33Å; E278-W298 HydrophobicContact CG-CZ3 3.45Å; E278-W298 VanDerWaalsContact CG-CZ3 3.45Å; Q279-W298 PolarHBondContact NE2-O 3.13Å
299	G	80.4	Confident	72.3	Confident	39 Å²	39	97 Å²	97	40%	0.402	56%	0.561	S	S	.	*	S	Bend	trans	152	166	-177.9	0	0	0	0	0	111.3	S301	G299-S301 PolarHBondContact O-N 2.99Å
300	P	57.2	Low	70.9	Confident	128 Å²	128	98.2 Å²	98.2	83%	0.831	57%	0.574	S	S	*	*	S	Bend	trans	-57.7	128.6	176.9	22.3	-30.1	0	0	0	109.7	S302	P300-S302 PolarHBondContact O-N 2.84Å
301	S	49.7	Very low	69.8	Low	102 Å²	102	101.5 Å²	101.5	71%	0.713	59%	0.59	S	S	*	*			trans	-59.8	110	-178.3	67.4	0	0	0	0	109.6	G299 Q303	G299-S301 PolarHBondContact O-N 2.99Å; S301-Q303 PolarHBondContact O-N 3.21Å
302	S	42	Very low	68.9	Low	117 Å²	117	99.4 Å²	99.4	82%	0.818	58%	0.575	S	S	*	*			trans	-72.6	70.7	162.3	-49.7	0	0	0	0	107.9	P300 P304	P300-S302 PolarHBondContact O-N 2.84Å; S302-P304 WeakPolarHBondContact O-CD 3.44Å
303	Q	43.3	Very low	68	Low	154 Å²	154	94.8 Å²	94.8	72%	0.72	56%	0.563	S	S	*	*			trans	-54.2	125.4	155.1	-80.1	-169.3	-25.6	0	0	105.4	S301 T305	S301-Q303 PolarHBondContact O-N 3.21Å; Q303-T305 VanDerWaalsContact C-N 3.29Å; Q303-T305 PolarHBondContact O-N 2.88Å
304	P	39.6	Very low	67.2	Low	118 Å²	118	93.1 Å²	93.1	77%	0.766	56%	0.558	S	S	*	*			trans	-61.9	102.7	174.6	24.1	-29.3	0	0	0	105.8	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.44Å; P304-I306 PolarHBondContact O-N 3.36Å
305	T	44.1	Very low	66.6	Low	126 Å²	126	95.5 Å²	95.5	77%	0.773	57%	0.571	S	S	*	*			trans	-67.9	94.4	169.3	-50.3	0	0	0	0	103.6	Q303 P307	Q303-T305 VanDerWaalsContact C-N 3.29Å; Q303-T305 PolarHBondContact O-N 2.88Å; T305-P307 WeakPolarHBondContact O-CD 3.36Å
306	I	53.1	Low	65.9	Low	114 Å²	114	94.1 Å²	94.1	59%	0.585	57%	0.568	S	S	*	*			trans	-46.9	121	167.5	-62.6	173.6	0	0	0	104.4	P304 I308 I311	P304-I306 PolarHBondContact O-N 3.36Å; I306-I308 PolarHBondContact O-N 3.25Å; I306-I311 HydrophobicContact CG2-CD1 3.93Å
307	P	50.7	Low	65.3	Low	90 Å²	90	96.6 Å²	96.6	58%	0.584	58%	0.584	S	S	*	*			trans	-71.2	87.7	-174.4	27.4	-32.3	0	0	0	107.3	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.36Å; P307-V309 PolarHBondContact O-N 3.42Å; P307-V309 VanDerWaalsContact O-N 3.08Å; P307-G310 PolarHBondContact O-N 2.97Å; P307-I311 PolarHBondContact O-N 3.44Å
308	I	59.9	Low	64.8	Low	122 Å²	122	94.9 Å²	94.9	63%	0.626	59%	0.586	S	S	*	*	H	α-helix	trans	-53.1	-32.1	176.9	-65.8	170.1	0	0	0	109.2	I306 G310 I311 V312	I306-I308 PolarHBondContact O-N 3.25Å; I308-G310 VanDerWaalsContact C-N 3.34Å; I308-G310 PolarHBondContact O-N 2.97Å; I308-I311 PolarHBondContact O-N 3.4Å; I308-V312 HydrophobicContact CG2-CG2 4.2Å; I308-V312 VanDerWaalsContact O-CG2 3.28Å; I308-V312 WeakPolarHBondContact O-CG2 3.41Å; I308-V312 PolarHBondContact O-N 2.63Å
309	V	58.8	Low	64.4	Low	121 Å²	121	94 Å²	94	73%	0.733	59%	0.594	S	S	*	*	H	α-helix	trans	-59.5	-39.5	174	-176.9	0	0	0	0	112.6	P307 A313	P307-V309 PolarHBondContact O-N 3.42Å; P307-V309 VanDerWaalsContact O-N 3.08Å; V309-A313 VanDerWaalsContact O-CB 3.25Å; V309-A313 WeakPolarHBondContact O-CB 3.2Å; V309-A313 PolarHBondContact O-N 2.91Å
310	G	62.8	Low	64.6	Low	45 Å²	45	96.3 Å²	96.3	46%	0.464	60%	0.601	S	S	.	*	H	α-helix	trans	-69.8	-37.2	179.3	0	0	0	0	0	113	P307 I308 G314	P307-G310 PolarHBondContact O-N 2.97Å; I308-G310 VanDerWaalsContact C-N 3.34Å; I308-G310 PolarHBondContact O-N 2.97Å; G310-G314 PolarHBondContact O-N 2.91Å
311	I	70.8	Confident	65.9	Low	95 Å²	95	95.1 Å²	95.1	49%	0.487	59%	0.587	S	S	.	*	H	α-helix	trans	-70.7	-44.1	177.1	-61.3	174.5	0	0	0	110.4	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.93Å; P307-I311 PolarHBondContact O-N 3.44Å; I308-I311 PolarHBondContact O-N 3.4Å; I311-G314 PolarHBondContact O-N 3.06Å; I311-L315 HydrophobicContact CG2-CD1 4.01Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.47Å; I311-L315 WeakPolarHBondContact O-CG 3.4Å; I311-L315 PolarHBondContact O-N 2.86Å
312	V	72.4	Confident	67.4	Low	89 Å²	89	93.5 Å²	93.5	54%	0.539	58%	0.579	S	S	.	*	H	α-helix	trans	-65.3	-42.3	178.3	174.4	0	0	0	0	111.2	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.2Å; I308-V312 VanDerWaalsContact O-CG2 3.28Å; I308-V312 WeakPolarHBondContact O-CG2 3.41Å; I308-V312 PolarHBondContact O-N 2.63Å; V312-L315 PolarHBondContact O-N 2.83Å; V312-A316 WeakPolarHBondContact O-CB 3.43Å; V312-A316 PolarHBondContact O-N 2.88Å
313	A	72.4	Confident	69.4	Low	56 Å²	56	92.4 Å²	92.4	46%	0.463	57%	0.568	S	S	.	*	H	α-helix	trans	-63.6	-42.9	174.9	0	0	0	0	0	111.9	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.25Å; V309-A313 WeakPolarHBondContact O-CB 3.2Å; V309-A313 PolarHBondContact O-N 2.91Å; A313-A316 PolarHBondContact O-N 3.12Å; A313-V317 WeakPolarHBondContact O-CG2 3.48Å; A313-V317 PolarHBondContact O-N 3.25Å
314	G	78.3	Confident	71.2	Confident	35 Å²	35	89.7 Å²	89.7	36%	0.361	56%	0.558	S	S	.	*	H	α-helix	trans	-61.6	-43.6	176.6	0	0	0	0	0	113.1	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.91Å; I311-G314 PolarHBondContact O-N 3.06Å; G314-V317 PolarHBondContact O-N 3.14Å; G314-L318 PolarHBondContact O-N 2.88Å
315	L	83.6	Confident	73.1	Confident	110 Å²	110	86.1 Å²	86.1	58%	0.576	54%	0.542	S	S	*	.	H	α-helix	trans	-66.8	-38.2	176.7	-72.6	171.8	0	0	0	112.4	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.01Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.47Å; I311-L315 WeakPolarHBondContact O-CG 3.4Å; I311-L315 PolarHBondContact O-N 2.86Å; V312-L315 PolarHBondContact O-N 2.83Å; L315-L318 PolarHBondContact O-N 3.44Å; L315-A319 WeakPolarHBondContact O-CB 3.39Å; L315-A319 PolarHBondContact O-N 2.9Å
316	A	81.6	Confident	74.8	Confident	54 Å²	54	82.8 Å²	82.8	45%	0.446	53%	0.528	S	S	.	.	H	α-helix	trans	-64	-42.5	175.9	0	0	0	0	0	111.9	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.43Å; V312-A316 PolarHBondContact O-N 2.88Å; A313-A316 PolarHBondContact O-N 3.12Å; A316-A319 PolarHBondContact O-N 3.27Å; A316-V320 WeakPolarHBondContact O-CG2 3.11Å; A316-V320 PolarHBondContact O-N 3.12Å
317	V	84	Confident	76	Confident	87 Å²	87	81.2 Å²	81.2	53%	0.527	52%	0.523	S	S	.	.	H	α-helix	trans	-64	-43.7	176.4	173.2	0	0	0	0	111.1	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.48Å; A313-V317 PolarHBondContact O-N 3.25Å; G314-V317 PolarHBondContact O-N 3.14Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3Å; V317-V320 PolarHBondContact O-N 3.44Å; V317-L321 HydrophobicContact CG1-CD1 4Å; V317-L321 HydrophobicContact CG1-CG 4.41Å; V317-L321 WeakPolarHBondContact O-CG 3.3Å; V317-L321 PolarHBondContact O-N 3.37Å
318	L	83.8	Confident	77.2	Confident	114 Å²	114	82.5 Å²	82.5	60%	0.597	52%	0.523	S	S	*	.	H	α-helix	trans	-61.4	-40.8	176.2	-82.2	166.2	0	0	0	112.4	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 2.88Å; L315-L318 PolarHBondContact O-N 3.44Å; L318-L321 PolarHBondContact O-N 3.21Å; L318-A322 WeakPolarHBondContact O-CB 3.35Å; L318-A322 PolarHBondContact O-N 3.1Å
319	A	84.1	Confident	77.8	Confident	57 Å²	57	79.2 Å²	79.2	47%	0.471	51%	0.514	S	S	.	.	H	α-helix	trans	-63.7	-43.5	176.3	0	0	0	0	0	112	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.39Å; L315-A319 PolarHBondContact O-N 2.9Å; A316-A319 PolarHBondContact O-N 3.27Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3Å; A319-A322 PolarHBondContact O-N 2.9Å; A319-V323 WeakPolarHBondContact O-CG2 3.36Å; A319-V323 PolarHBondContact O-N 3.01Å
320	V	84.9	Confident	78.6	Confident	88 Å²	88	77.3 Å²	77.3	53%	0.533	50%	0.502	S	S	.	.	H	α-helix	trans	-63.2	-43.4	176.8	172.4	0	0	0	0	111.2	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.11Å; A316-V320 PolarHBondContact O-N 3.12Å; V317-V320 PolarHBondContact O-N 3.44Å; V320-A322 VanDerWaalsContact C-N 3.35Å; V320-A322 PolarHBondContact O-N 2.64Å; 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 3.21Å; V320-L324 PolarHBondContact O-N 3.17Å
321	L	84.1	Confident	79.1	Confident	104 Å²	104	78.6 Å²	78.6	55%	0.545	50%	0.501	S	S	.	.	H	α-helix	trans	-64.3	-38.6	177.1	-71.2	173.7	0	0	0	112.3	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 4Å; V317-L321 HydrophobicContact CG1-CG 4.41Å; V317-L321 WeakPolarHBondContact O-CG 3.3Å; V317-L321 PolarHBondContact O-N 3.37Å; L318-L321 PolarHBondContact O-N 3.21Å; L321-L324 PolarHBondContact O-N 2.85Å; L321-G325 PolarHBondContact O-N 2.88Å
322	A	81.9	Confident	79.2	Confident	67 Å²	67	80.4 Å²	80.4	55%	0.554	51%	0.509	S	S	*	.	H	α-helix	trans	-64.5	-41.7	175.6	0	0	0	0	0	112	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.35Å; L318-A322 PolarHBondContact O-N 3.1Å; A319-A322 PolarHBondContact O-N 2.9Å; V320-A322 VanDerWaalsContact C-N 3.35Å; V320-A322 PolarHBondContact O-N 2.64Å; A322-G325 PolarHBondContact O-N 3.48Å; A322-A326 WeakPolarHBondContact O-CB 3.31Å; A322-A326 PolarHBondContact O-N 3.15Å
323	V	82.6	Confident	78.7	Confident	94 Å²	94	80.4 Å²	80.4	57%	0.57	51%	0.512	S	S	*	.	H	α-helix	trans	-65	-45.1	176.1	173.3	0	0	0	0	110.9	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.36Å; A319-V323 PolarHBondContact O-N 3.01Å; V320-V323 PolarHBondContact O-N 3.27Å; V323-G325 VanDerWaalsContact C-N 3.34Å; V323-G325 PolarHBondContact O-N 2.93Å; V323-A326 PolarHBondContact O-N 3.06Å; V323-V327 HydrophobicContact CG1-CG2 4.42Å; V323-V327 VanDerWaalsContact O-CG2 3.28Å; V323-V327 WeakPolarHBondContact O-CG2 3.46Å; V323-V327 PolarHBondContact O-N 3.12Å
324	L	80.9	Confident	78.3	Confident	98 Å²	98	86.8 Å²	86.8	51%	0.513	52%	0.524	S	S	.	.	H	α-helix	trans	-62	-42.1	176.1	-72.8	169	0	0	0	111.6	V320 L321 V327 M328	V320-L324 HydrophobicContact CG1-CD1 3.94Å; V320-L324 HydrophobicContact CG1-CG 4.49Å; V320-L324 WeakPolarHBondContact O-CG 3.21Å; V320-L324 PolarHBondContact O-N 3.17Å; L321-L324 PolarHBondContact O-N 2.85Å; L324-V327 PolarHBondContact O-N 2.82Å; L324-M328 WeakPolarHBondContact O-CB 3.37Å; L324-M328 VanDerWaalsContact O-CG 3.28Å; L324-M328 WeakPolarHBondContact O-CG 3.38Å; L324-M328 PolarHBondContact O-N 3.27Å
325	G	80.6	Confident	77.3	Confident	42 Å²	42	95 Å²	95	43%	0.433	54%	0.544	S	S	.	.	H	α-helix	trans	-60.5	-44.1	174.5	0	0	0	0	0	112.7	L321 A322 V323 M328 A329	L321-G325 PolarHBondContact O-N 2.88Å; A322-G325 PolarHBondContact O-N 3.48Å; V323-G325 VanDerWaalsContact C-N 3.34Å; V323-G325 PolarHBondContact O-N 2.93Å; G325-M328 PolarHBondContact O-N 3.41Å; G325-A329 WeakPolarHBondContact O-CB 3.45Å; G325-A329 PolarHBondContact O-N 2.92Å
326	A	78.8	Confident	75.7	Confident	57 Å²	57	98.8 Å²	98.8	47%	0.471	56%	0.556	S	S	.	*	H	α-helix	trans	-65	-42.2	176.6	0	0	0	0	0	112.3	A322 V323 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.31Å; A322-A326 PolarHBondContact O-N 3.15Å; V323-A326 PolarHBondContact O-N 3.06Å; A326-A329 PolarHBondContact O-N 3.21Å; A326-V330 VanDerWaalsContact O-CG2 3.3Å; A326-V330 WeakPolarHBondContact O-CG2 3.33Å; A326-V330 PolarHBondContact O-N 3.32Å
327	V	79.6	Confident	74.3	Confident	81 Å²	81	100.8 Å²	100.8	49%	0.491	57%	0.566	S	S	.	*	H	α-helix	trans	-63	-44.4	176.2	172.1	0	0	0	0	110.6	V323 L324 A329 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.42Å; V323-V327 VanDerWaalsContact O-CG2 3.28Å; V323-V327 WeakPolarHBondContact O-CG2 3.46Å; V323-V327 PolarHBondContact O-N 3.12Å; L324-V327 PolarHBondContact O-N 2.82Å; V327-A329 PolarHBondContact O-N 3.15Å; V327-V330 PolarHBondContact O-N 3.47Å; V327-V331 HydrophobicContact CG1-CG2 4.38Å; V327-V331 WeakPolarHBondContact O-CB 3.42Å; V327-V331 VanDerWaalsContact O-CG2 3.26Å; V327-V331 WeakPolarHBondContact O-CG2 3.4Å; V327-V331 PolarHBondContact O-N 2.96Å
328	M	74.9	Confident	72.6	Confident	117 Å²	117	101.5 Å²	101.5	58%	0.576	58%	0.575	S	S	*	*	H	α-helix	trans	-63.3	-40.8	176.5	-72	-63.7	-70.9	0	0	112.1	L324 G325 V331 M332	L324-M328 WeakPolarHBondContact O-CB 3.37Å; L324-M328 VanDerWaalsContact O-CG 3.28Å; L324-M328 WeakPolarHBondContact O-CG 3.38Å; L324-M328 PolarHBondContact O-N 3.27Å; G325-M328 PolarHBondContact O-N 3.41Å; M328-V331 PolarHBondContact O-N 2.83Å; M328-M332 WeakPolarHBondContact O-CB 3.45Å; M328-M332 WeakPolarHBondContact O-CG 3.38Å; M328-M332 PolarHBondContact O-N 3.05Å
329	A	74	Confident	70.6	Confident	53 Å²	53	99.2 Å²	99.2	44%	0.438	58%	0.579	S	S	.	*	H	α-helix	trans	-62.9	-43.5	174.8	0	0	0	0	0	112.1	G325 A326 V327 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.45Å; G325-A329 PolarHBondContact O-N 2.92Å; A326-A329 PolarHBondContact O-N 3.21Å; V327-A329 PolarHBondContact O-N 3.15Å; A329-M332 PolarHBondContact O-N 3.15Å; A329-C333 WeakPolarHBondContact O-CB 3.46Å; A329-C333 PolarHBondContact O-N 3.3Å; A329-C333 PolarHBondContact O-SG 3.13Å
330	V	74.7	Confident	68.5	Low	81 Å²	81	100.1 Å²	100.1	49%	0.491	60%	0.595	S	S	.	*	H	α-helix	trans	-65.1	-41	176.5	170.6	0	0	0	0	111.6	A326 V327 C333 R334	A326-V330 VanDerWaalsContact O-CG2 3.3Å; A326-V330 WeakPolarHBondContact O-CG2 3.33Å; A326-V330 PolarHBondContact O-N 3.32Å; V327-V330 PolarHBondContact O-N 3.47Å; V330-C333 PolarHBondContact O-N 3.43Å; V330-R334 WeakPolarHBondContact O-CB 3.21Å; V330-R334 WeakPolarHBondContact O-CG 3.32Å; V330-R334 PolarHBondContact O-N 2.76Å
331	V	74.1	Confident	66	Low	71 Å²	71	106.4 Å²	106.4	43%	0.43	62%	0.615	S	S	.	*	H	α-helix	trans	-66.5	-40	177	171.1	0	0	0	0	111.2	V327 M328 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.38Å; V327-V331 WeakPolarHBondContact O-CB 3.42Å; V327-V331 VanDerWaalsContact O-CG2 3.26Å; V327-V331 WeakPolarHBondContact O-CG2 3.4Å; V327-V331 PolarHBondContact O-N 2.96Å; M328-V331 PolarHBondContact O-N 2.83Å; V331-R334 PolarHBondContact O-N 2.92Å; V331-R335 PolarHBondContact O-N 3.06Å
332	M	71.3	Confident	63.5	Low	133 Å²	133	105.3 Å²	105.3	66%	0.655	63%	0.628	S	S	*	*	H	α-helix	trans	-66.9	-40.4	174.4	-74.6	-171.5	71.9	0	0	112.4	M328 A329 R334 R335 K336	M328-M332 WeakPolarHBondContact O-CB 3.45Å; M328-M332 WeakPolarHBondContact O-CG 3.38Å; M328-M332 PolarHBondContact O-N 3.05Å; A329-M332 PolarHBondContact O-N 3.15Å; M332-R334 VanDerWaalsContact C-N 3.35Å; M332-R335 PolarHBondContact O-N 3.06Å; M332-K336 WeakPolarHBondContact O-CB 3.48Å; M332-K336 PolarHBondContact O-N 3.33Å
333	C	63.2	Low	61.1	Low	90 Å²	90	106 Å²	106	61%	0.608	64%	0.642	S	S	*	*	H	α-helix	trans	-62.5	-40.3	172.9	-80.2	0	0	0	0	111.9	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.46Å; A329-C333 PolarHBondContact O-N 3.3Å; A329-C333 PolarHBondContact O-SG 3.13Å; V330-C333 PolarHBondContact O-N 3.43Å; C333-K336 PolarHBondContact O-N 3.47Å; C333-S337 PolarHBondContact O-N 3.33Å; C333-S337 PolarHBondContact O-OG 2.83Å
334	R	62.6	Low	58.7	Low	190 Å²	190	107 Å²	107	72%	0.717	65%	0.653	S	S	*	*	H	α-helix	trans	-70.8	-33.2	176.8	-78.4	-173.3	161.5	175.6	-3.4	113.6	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.21Å; V330-R334 WeakPolarHBondContact O-CG 3.32Å; V330-R334 PolarHBondContact O-N 2.76Å; V331-R334 PolarHBondContact O-N 2.92Å; M332-R334 VanDerWaalsContact C-N 3.35Å; R334-K336 VanDerWaalsContact C-N 3.31Å; R334-S337 PolarHBondContact O-N 3.31Å; R334-S337 PolarHBondContact O-OG 3.38Å
335	R	57.5	Low	56.4	Low	207 Å²	207	108 Å²	108	78%	0.781	67%	0.667	S	S	*	*	H	α-helix	trans	-68.1	-29.9	170.9	-98.1	-176.1	169.3	173.3	-2.1	112.6	V331 M332	V331-R335 PolarHBondContact O-N 3.06Å; M332-R335 PolarHBondContact O-N 3.06Å
336	K	50	Low	54.1	Low	189 Å²	189	112.2 Å²	112.2	82%	0.822	69%	0.69	S	S	*	*	H	α-helix	trans	-80.4	-18.4	178.8	-160.7	167.7	-178.2	177.5	0	113.4	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.48Å; M332-K336 PolarHBondContact O-N 3.33Å; C333-K336 PolarHBondContact O-N 3.47Å; R334-K336 VanDerWaalsContact C-N 3.31Å
337	S	52.3	Low	52.1	Low	96 Å²	96	118.8 Å²	118.8	67%	0.671	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	1.1	179.1	55.8	0	0	0	0	115.4	C333 R334	C333-S337 PolarHBondContact O-N 3.33Å; C333-S337 PolarHBondContact O-OG 2.83Å; R334-S337 PolarHBondContact O-N 3.31Å; R334-S337 PolarHBondContact O-OG 3.38Å
338	S	49.1	Very low	49.7	Very low	102 Å²	102	119.3 Å²	119.3	71%	0.713	72%	0.724	S	S	*	*	S	Bend	trans	-102.7	21.7	180	74.8	0	0	0	0	114.8
339	G	40.6	Very low	47.7	Very low	66 Å²	66	118 Å²	118	68%	0.68	73%	0.731	S	S	*	*	S	Bend	trans	-140.2	85.1	174.1	0	0	0	0	0	110.5
340	G	40.1	Very low	45.7	Very low	77 Å²	77	120.7 Å²	120.7	79%	0.794	75%	0.747	S	S	*	*			trans	-79	149.2	173.6	0	0	0	0	0	112.2
341	K	32.8	Very low	43.8	Very low	219 Å²	219	122 Å²	122	95%	0.952	76%	0.76	S	S	*	*				155.6	129.7	115	-156.6	154.2	-175	173.3	0	112.2
342	G	32.4	Very low	41.9	Very low	81 Å²	81	126.2 Å²	126.2	84%	0.835	78%	0.78	S	S	*	*			trans	111.8	126.3	145	0	0	0	0	0	118.3
343	G	30.7	Very low	40.3	Very low	81 Å²	81	126 Å²	126	84%	0.835	79%	0.791	S	S	*	*			trans	118.8	87.3	136.5	0	0	0	0	0	119
344	S	32.9	Very low	39.1	Very low	115 Å²	115	126.1 Å²	126.1	80%	0.804	80%	0.799	S	S	*	*			trans	7.3	137	145.7	-171.7	0	0	0	0	123
345	C	33	Very low	37.8	Very low	121 Å²	121	126.3 Å²	126.3	82%	0.818	81%	0.808	S	S	*	*			trans	14.7	135.2	146.7	-76.7	0	0	0	0	122.1
346	S	30.9	Very low	36.4	Very low	130 Å²	130	120.3 Å²	120.3	91%	0.909	81%	0.81	S	S	*	*				-152.6	140.8	125.9	10.7	0	0	0	0	111.6
347	Q	37.6	Very low	35.8	Very low	194 Å²	194	115.9 Å²	115.9	91%	0.907	80%	0.803	S	S	*	*			trans	-108	133	-176.4	-177.4	-178.9	9.7	0	0	107.8
348	A	28.8	Very low	35.1	Very low	92 Å²	92	118.2 Å²	118.2	76%	0.76	81%	0.808	S	S	*	*			trans	-176.2	107.5	154.4	0	0	0	0	0	106.8
349	A	32.1	Very low	34.3	Very low	89 Å²	89	120.9 Å²	120.9	74%	0.736	81%	0.809	S	S	*	*				70.8	109.9	70.8	0	0	0	0	0	114.1
350	S	33	Very low	33.8	Very low	111 Å²	111	122.9 Å²	122.9	78%	0.776	81%	0.813	S	S	*	*			trans	53.8	133.7	144.4	65.5	0	0	0	0	119.6
351	S	33.9	Very low	33.5	Very low	108 Å²	108	125.6 Å²	125.6	76%	0.755	81%	0.809	S	S	*	*				-176.4	137.7	57.3	35.8	0	0	0	0	112.6
352	N	34.9	Very low	33.5	Very low	159 Å²	159	122.5 Å²	122.5	85%	0.85	80%	0.801	S	S	*	*			trans	19.7	129.1	133.1	-71	-7.8	0	0	0	121
353	S	38.1	Very low	33.3	Very low	128 Å²	128	123.3 Å²	123.3	90%	0.895	80%	0.8	S	S	*	*				-157.6	129.4	112.4	-13	0	0	0	0	110.9
354	A	37.1	Very low	33.3	Very low	93 Å²	93	125.4 Å²	125.4	77%	0.769	80%	0.8	S	S	*	*			trans	-85.3	158	174.8	0	0	0	0	0	111.6
355	Q	35.4	Very low	33.6	Very low	195 Å²	195	129.9 Å²	129.9	91%	0.911	81%	0.805	S	S	*	*				-176.3	133.9	118.3	-130.9	155.1	-13.5	0	0	111.6
356	G	28.7	Very low	33.8	Very low	80 Å²	80	132.5 Å²	132.5	83%	0.825	84%	0.836	S	S	*	*			trans	155.7	71.4	171.8	0	0	0	0	0	112.8
357	S	37	Very low	33.9	Very low	96 Å²	96	132.7 Å²	132.7	67%	0.671	83%	0.832	S	S	*	*			trans	-67.1	146	-172.8	-30.1	0	0	0	0	115.7
358	D	37.3	Very low	33.7	Very low	146 Å²	146	129.4 Å²	129.4	78%	0.781	83%	0.828	S	S	*	*				49.4	147.9	125	-62.3	-21	0	0	0	120.4
359	E	32.8	Very low	34	Very low	157 Å²	157	131.5 Å²	131.5	73%	0.734	83%	0.832	S	S	*	*			cis	-166.7	146	4.7	-120.3	-174.3	141.5	0	0	103.6
360	S	30.7	Very low	34.1	Very low	108 Å²	108	134 Å²	134	76%	0.755	84%	0.837	S	S	*	*				171.2	118	93	41.8	0	0	0	0	109.1
361	L	33	Very low	34.2	Very low	135 Å²	135	135.4 Å²	135.4	71%	0.707	84%	0.841	S	S	*	*				49.3	101.1	111.5	-71.2	167.3	0	0	0	116.2
362	I	32.6	Very low	34.2	Very low	153 Å²	153	137.3 Å²	137.3	79%	0.785	85%	0.847	S	S	*	*				65.6	118.3	97.1	-63.2	179.1	0	0	0	114.3
363	A	29.1	Very low	34.1	Very low	98 Å²	98	135.7 Å²	135.7	81%	0.81	85%	0.847	S	S	*	*				172.7	153.1	113.6	0	0	0	0	0	113.9
364	C	30.6	Very low	33.8	Very low	125 Å²	125	136.3 Å²	136.3	85%	0.845	84%	0.843	S	S	*	*			trans	-79.6	157.3	-164.2	-69.5	0	0	0	0	117.7
365	K	38.2	Very low	33.6	Very low	210 Å²	210	139.9 Å²	139.9	91%	0.913	85%	0.849	S	S	*	*			trans	22.2	131.6	141.7	-85.4	178.8	170.5	178.9	0	120.4
366	A	37.4	Very low	33.4	Very low	176 Å²	176	134.9 Å²	134.9	100%	1.455	84%	0.844	S	S	*	*				-150.4	0	116	0	0	0	0	0	108.9

Retrieved 366 of 366 residues in 81.1 ms (Link to these results)

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