A0A090KM94_HUMAN Loading...

HLA class I antigen

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

AlphaFold DB , UniProt , Accession A0A090KM94, 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	44.4	Very low	240 Å²	240	144.7 Å²	144.7	100%	1.182	72%	0.724	S	S	*	*				0	101.8	0	-77.4	163.6	151.2	0	0	108.2	V3	M1-V3 PolarHBondContact O-N 3.17Å
2	R	35.3	Very low	44.6	Very low	253 Å²	253	143.4 Å²	143.4	96%	0.955	72%	0.72	S	S	*	*			trans	-82.5	110.5	170	-96.3	-180	173.3	165	-2.5	106.6	M4	R2-M4 PolarHBondContact O-N 2.65Å; R2-M4 VanDerWaalsContact O-N 3.11Å
3	V	39.4	Very low	44.2	Very low	141 Å²	141	140.2 Å²	140.2	86%	0.855	71%	0.706	S	S	*	*			trans	-69.1	106.5	171.4	179	0	0	0	0	106.6	M1 A5	M1-V3 PolarHBondContact O-N 3.17Å; V3-A5 PolarHBondContact O-N 3.19Å
4	M	41.7	Very low	44.2	Very low	178 Å²	178	134.7 Å²	134.7	88%	0.877	69%	0.687	S	S	*	*			trans	-79.9	96.2	175.8	-163.4	166.5	63.7	0	0	106.6	R2	R2-M4 PolarHBondContact O-N 2.65Å; R2-M4 VanDerWaalsContact O-N 3.11Å
5	A	46.5	Very low	44.1	Very low	58 Å²	58	128.1 Å²	128.1	48%	0.479	67%	0.666	S	S	.	*			trans	-59.4	138.5	173.2	0	0	0	0	0	109.1	V3 R7	V3-A5 PolarHBondContact O-N 3.19Å; A5-R7 PolarHBondContact O-N 2.93Å
6	P	45.6	Very low	43.9	Very low	71 Å²	71	123.4 Å²	123.4	46%	0.461	65%	0.651	S	S	.	*			trans	-65.9	121.7	-177.2	-9.5	24.1	0	0	0	108.8	T8 L9	P6-T8 PolarHBondContact O-N 2.96Å; P6-L9 PolarHBondContact O-N 3.08Å
7	R	50.5	Low	43.4	Very low	223 Å²	223	122.6 Å²	122.6	84%	0.842	65%	0.647	S	S	*	*	H	α-helix	trans	-54	-22.2	175	-86	177.8	162.2	148.7	-6.4	113.2	A5 L11	A5-R7 PolarHBondContact O-N 2.93Å; R7-L11 PolarHBondContact O-N 2.73Å
8	T	50.4	Low	43.2	Very low	98 Å²	98	119.1 Å²	119.1	60%	0.601	64%	0.638	S	S	*	*	H	α-helix	trans	-70.3	-31.2	173.9	37.5	0	0	0	0	113.8	P6 L12	P6-T8 PolarHBondContact O-N 2.96Å; T8-L12 PolarHBondContact O-N 2.92Å
9	L	45.1	Very low	42.9	Very low	102 Å²	102	118.4 Å²	118.4	53%	0.534	63%	0.634	S	S	.	*	H	α-helix	trans	-74.2	-33.5	179.4	-136	96.7	0	0	0	111.9	P6 L13	P6-L9 PolarHBondContact O-N 3.08Å; L9-L13 WeakPolarHBondContact O-CD1 3.36Å; L9-L13 WeakPolarHBondContact O-CG 3.25Å; L9-L13 PolarHBondContact O-N 2.97Å
10	I	49.2	Very low	42.7	Very low	100 Å²	100	117.3 Å²	117.3	51%	0.513	63%	0.632	S	S	.	*	H	α-helix	trans	-71.1	-36.9	179.3	-62.6	173.5	0	0	0	110.7	L13 S14	I10-L13 PolarHBondContact O-N 3.33Å; I10-S14 WeakPolarHBondContact O-CB 3.28Å; I10-S14 PolarHBondContact O-N 3.22Å; I10-S14 PolarHBondContact O-OG 2.88Å
11	L	50.2	Low	42.4	Very low	128 Å²	128	119.5 Å²	119.5	67%	0.67	64%	0.638	S	S	*	*	H	α-helix	trans	-69.1	-38.3	176.2	-76.3	164.3	0	0	0	112.8	R7 S14 G15	R7-L11 PolarHBondContact O-N 2.73Å; L11-S14 WeakPolarHBondContact O-CB 3.37Å; L11-S14 PolarHBondContact O-N 3.27Å; L11-G15 PolarHBondContact O-N 3Å
12	L	45.8	Very low	42.7	Very low	129 Å²	129	113 Å²	113	68%	0.675	61%	0.612	S	S	*	*	H	α-helix	trans	-66.1	-38.3	175.1	-74.6	165.7	0	0	0	112.3	T8 S14 A16	T8-L12 PolarHBondContact O-N 2.92Å; L12-S14 VanDerWaalsContact C-N 3.33Å; L12-A16 WeakPolarHBondContact O-CB 3.38Å; L12-A16 PolarHBondContact O-N 2.89Å; L12-A16 VanDerWaalsContact O-N 3.09Å
13	L	40.4	Very low	43.5	Very low	102 Å²	102	105.1 Å²	105.1	53%	0.534	58%	0.582	S	S	.	*	H	α-helix	trans	-69	-30.9	173.2	-76.6	161.2	0	0	0	112.4	L9 I10 L17	L9-L13 WeakPolarHBondContact O-CD1 3.36Å; L9-L13 WeakPolarHBondContact O-CG 3.25Å; L9-L13 PolarHBondContact O-N 2.97Å; I10-L13 PolarHBondContact O-N 3.33Å; L13-L17 WeakPolarHBondContact O-CB 3.12Å; L13-L17 WeakPolarHBondContact O-CD1 3.41Å; L13-L17 WeakPolarHBondContact O-CG 3.34Å; L13-L17 PolarHBondContact O-N 3.05Å
14	S	43.5	Very low	44.1	Very low	63 Å²	63	100.7 Å²	100.7	44%	0.441	56%	0.561	S	S	.	*	H	α-helix	trans	-71	-39.1	176.5	-51.4	0	0	0	0	112.1	I10 L11 L12 A18	I10-S14 WeakPolarHBondContact O-CB 3.28Å; I10-S14 PolarHBondContact O-N 3.22Å; I10-S14 PolarHBondContact O-OG 2.88Å; L11-S14 WeakPolarHBondContact O-CB 3.37Å; L11-S14 PolarHBondContact O-N 3.27Å; L12-S14 VanDerWaalsContact C-N 3.33Å; S14-A18 WeakPolarHBondContact O-CB 3.41Å; S14-A18 PolarHBondContact O-N 3.49Å; S14-A18 VanDerWaalsContact O-N 3.09Å
15	G	42.9	Very low	45.6	Very low	36 Å²	36	95 Å²	95	37%	0.371	54%	0.538	S	S	.	.	H	α-helix	trans	-68.7	-39.5	174.6	0	0	0	0	0	112.7	L11 A18 L19	L11-G15 PolarHBondContact O-N 3Å; G15-A18 PolarHBondContact O-N 2.9Å; G15-L19 WeakPolarHBondContact O-CB 3.49Å; G15-L19 WeakPolarHBondContact O-CD1 3.49Å; G15-L19 PolarHBondContact O-N 3.06Å
16	A	41.4	Very low	47.7	Very low	52 Å²	52	95.7 Å²	95.7	43%	0.43	54%	0.539	S	S	.	.	H	α-helix	trans	-67.7	-40	175.9	0	0	0	0	0	112.6	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.38Å; L12-A16 PolarHBondContact O-N 2.89Å; L12-A16 VanDerWaalsContact O-N 3.09Å; A16-L19 PolarHBondContact O-N 2.99Å; A16-T20 WeakPolarHBondContact O-CG2 3.38Å; A16-T20 PolarHBondContact O-N 3.18Å; A16-T20 VanDerWaalsContact O-N 3.07Å; A16-T20 PolarHBondContact O-OG1 3.39Å
17	L	35.3	Very low	50	Low	110 Å²	110	93.7 Å²	93.7	58%	0.576	52%	0.523	S	S	*	.	H	α-helix	trans	-67	-38.4	175.9	-80	161.2	0	0	0	112.3	L13 L19 T20 E21	L13-L17 WeakPolarHBondContact O-CB 3.12Å; L13-L17 WeakPolarHBondContact O-CD1 3.41Å; L13-L17 WeakPolarHBondContact O-CG 3.34Å; L13-L17 PolarHBondContact O-N 3.05Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 3.26Å; L17-T20 WeakPolarHBondContact CA-OG1 3.43Å; L17-T20 PolarHBondContact O-N 3.29Å; L17-T20 PolarHBondContact O-OG1 3.04Å; L17-E21 PolarHBondContact O-N 2.95Å; L17-E21 VanDerWaalsContact O-N 3.13Å
18	A	39.2	Very low	52.3	Low	59 Å²	59	84.1 Å²	84.1	49%	0.488	49%	0.491	S	S	.	.	H	α-helix	trans	-67.9	-29.4	175	0	0	0	0	0	113.2	S14 G15 T22	S14-A18 WeakPolarHBondContact O-CB 3.41Å; S14-A18 PolarHBondContact O-N 3.49Å; S14-A18 VanDerWaalsContact O-N 3.09Å; G15-A18 PolarHBondContact O-N 2.9Å; A18-T22 PolarHBondContact O-OG1 2.93Å
19	L	38.2	Very low	54.6	Low	107 Å²	107	79.5 Å²	79.5	56%	0.56	46%	0.462	S	S	*	.	H	α-helix	trans	-77.2	-28.7	174.3	-86.6	156.1	0	0	0	112.8	G15 A16 L17 T22	G15-L19 WeakPolarHBondContact O-CB 3.49Å; G15-L19 WeakPolarHBondContact O-CD1 3.49Å; G15-L19 PolarHBondContact O-N 3.06Å; A16-L19 PolarHBondContact O-N 2.99Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 3.26Å; L19-T22 PolarHBondContact O-OG1 2.83Å
20	T	37.5	Very low	57.1	Low	96 Å²	96	77 Å²	77	59%	0.589	45%	0.446	S	S	*	.	H	α-helix	trans	-84.6	-25.7	178.6	52.6	0	0	0	0	114.1	A16 L17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.38Å; A16-T20 PolarHBondContact O-N 3.18Å; A16-T20 VanDerWaalsContact O-N 3.07Å; A16-T20 PolarHBondContact O-OG1 3.39Å; L17-T20 WeakPolarHBondContact CA-OG1 3.43Å; L17-T20 PolarHBondContact O-N 3.29Å; L17-T20 PolarHBondContact O-OG1 3.04Å; T20-T22 VanDerWaalsContact C-N 3.35Å
21	E	36.4	Very low	59.5	Low	164 Å²	164	72.9 Å²	72.9	77%	0.766	42%	0.424	S	S	*	.	H	α-helix	trans	-75.8	-19.5	179.5	-92.7	-172.3	159.2	0	0	113.8	L17 W23	L17-E21 PolarHBondContact O-N 2.95Å; L17-E21 VanDerWaalsContact O-N 3.13Å; E21-W23 PolarHBondContact O-N 2.8Å
22	T	42.7	Very low	61.8	Low	104 Å²	104	70.9 Å²	70.9	64%	0.638	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-0.9	-175.3	44.5	0	0	0	0	114.9	A18 L19 T20	A18-T22 PolarHBondContact O-OG1 2.93Å; L19-T22 PolarHBondContact O-OG1 2.83Å; T20-T22 VanDerWaalsContact C-N 3.35Å
23	W	51	Low	64.3	Low	86 Å²	86	65 Å²	65	33%	0.326	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	15.3	-174.3	-70.7	64.8	0	0	0	113.5	E21 C25 H287 E288 L290	E21-W23 PolarHBondContact O-N 2.8Å; W23-C25 PolarHBondContact O-N 2.8Å; W23-C25 VanDerWaalsContact O-N 3.17Å; W23-H287 WeakPolarHBondContact CH2-O 3.26Å; W23-H287 VanDerWaalsContact CZ3-O 3.29Å; W23-H287 WeakPolarHBondContact CZ3-O 3.22Å; W23-E288 HydrophobicContact CD2-CG 4.5Å; W23-E288 VanDerWaalsContact CE3-CA 3.41Å; W23-E288 HydrophobicContact CE3-CB 4.17Å; W23-E288 HydrophobicContact CE3-CG 3.85Å; W23-E288 VanDerWaalsContact CH2-CA 3.48Å; W23-E288 HydrophobicContact CZ3-CB 4.29Å; W23-E288 HydrophobicContact CZ3-CG 4.37Å; W23-E288 WeakPolarHBondContact CZ3-O 3.41Å; W23-L290 WeakPolarHBondContact CH2-O 3.16Å; W23-L290 WeakPolarHBondContact CZ3-O 3.42Å
24	A	53.4	Low	67.1	Low	49 Å²	49	62.2 Å²	62.2	41%	0.405	37%	0.367	S	S	.	.	S	Bend	trans	-75.4	106.2	168.5	0	0	0	0	0	107	S26 P129	A24-S26 PolarHBondContact O-N 3.14Å; A24-P129 HydrophobicContact CB-CB 3.78Å; A24-P129 HydrophobicContact CB-CG 3.18Å
25	C	71.8	Confident	69.7	Low	58 Å²	58	59.2 Å²	59.2	39%	0.392	35%	0.346	S	S	.	.			trans	-50	102.8	-172.3	-55.2	0	0	0	0	111.3	W23 E288	W23-C25 PolarHBondContact O-N 2.8Å; W23-C25 VanDerWaalsContact O-N 3.17Å; C25-E288 PolarHBondContact SG-OE1 3.39Å
26	S	90.4	Very high	72.3	Confident	72 Å²	72	59.7 Å²	59.7	50%	0.503	34%	0.342	S	S	.	.			trans	-87.7	144.3	167	58.4	0	0	0	0	108.8	A24 L127	A24-S26 PolarHBondContact O-N 3.14Å; S26-L127 VanDerWaalsContact CA-O 3.3Å; S26-L127 WeakPolarHBondContact CA-O 3.42Å; S26-L127 WeakPolarHBondContact CB-O 3.21Å
27	H	95.2	Very high	75	Confident	29 Å²	29	58.1 Å²	58.1	13%	0.134	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	151.1	177.8	-67.8	-75.1	0	0	0	110.5	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.23Å; H27-D53 WeakPolarHBondContact CA-OD1 3.21Å; H27-D53 IonicContact CE1-OD2 3.6Å; H27-D53 IonicContact CG-OD2 3.32Å; H27-D53 IonicContact ND1-OD1 3.2Å; H27-D53 IonicContact ND1-OD2 3.29Å; H27-D53 PolarHBondContact ND1-OD2 2.66Å; H27-D126 CarbonylContact O-C 3.53Å; H27-D126 WeakPolarHBondContact O-CA 3.47Å; H27-L127 PolarHBondContact N-O 3.26Å; H27-L127 VanDerWaalsContact N-O 3.17Å; H27-L127 PolarHBondContact O-N 3.49Å; H27-L192 HydrophobicContact CB-CD1 4.46Å; H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.13Å
28	S	97.4	Very high	77.8	Confident	23 Å²	23	56.3 Å²	56.3	16%	0.161	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	150.6	179.7	67.6	0	0	0	0	111.8	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.58Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.34Å; S28-D53 PolarHBondContact N-OD1 3.23Å; S28-D53 PolarHBondContact O-N 2.96Å; S28-C125 WeakPolarHBondContact CA-O 3.24Å; S28-D126 WeakPolarHBondContact CB-OD1 3.03Å
29	M	98.6	Very high	80.1	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.1	167.1	-174.7	171.3	61	0	0	108.1	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.15Å; M29-Y31 HydrophobicContact CG-CE2 4.03Å; M29-Y31 HydrophobicContact SD-CE2 4Å; M29-Y51 WeakPolarHBondContact CA-O 3.34Å; M29-V52 HydrophobicContact CG-CG2 4.3Å; M29-F57 HydrophobicContact CG-CE1 4.42Å; M29-F57 HydrophobicContact SD-CZ 4.3Å; M29-G124 CarbonylContact O-C 3.52Å; M29-G124 WeakPolarHBondContact O-CA 3.43Å; M29-C125 PolarHBondContact N-O 2.93Å; M29-C125 PolarHBondContact O-N 3.4Å; M29-C188 HydrophobicContact CE-CB 4.21Å; M29-C188 VanDerWaalsContact CE-O 3.22Å; M29-C188 WeakPolarHBondContact CE-O 3.35Å; M29-C188 WeakPolarHBondContact CE-SG 3.4Å; M29-W191 HydrophobicContact CE-CB 4.04Å; M29-W191 HydrophobicContact SD-CB 4.41Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.95Å; M29-L192 HydrophobicContact CB-CG 4.24Å; M29-L192 HydrophobicContact CE-CB 4.3Å; M29-L192 HydrophobicContact SD-CB 4.43Å; M29-Y195 HydrophobicContact SD-CD2 3.73Å; M29-Y195 HydrophobicContact SD-CE2 3.6Å; M29-Y195 VanDerWaalsContact SD-CE2 3.6Å
30	R	98.6	Very high	82.2	Confident	50 Å²	50	55.3 Å²	55.3	19%	0.189	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133.3	-176.5	-57.1	-62.6	-179.2	74.2	3.1	110.4	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.41Å; R30-F32 HydrophobicContact CB-CE2 3.57Å; R30-F32 HydrophobicContact CB-CZ 3.94Å; R30-G50 CarbonylContact O-C 3.6Å; R30-G50 WeakPolarHBondContact O-CA 3.32Å; R30-Y51 PolarHBondContact N-O 2.8Å; R30-Y51 PolarHBondContact O-N 3.48Å; R30-D126 IonicContact CZ-OD1 3.94Å; R30-D126 IonicContact NE-OD1 3.94Å; R30-D126 PolarHBondContact NE-OD1 3.46Å; R30-D126 VanDerWaalsContact NH2-CG 3.28Å; R30-D126 IonicContact NH2-OD1 3.95Å; R30-D126 PolarHBondContact NH2-OD1 2.75Å; R30-D126 IonicContact NH2-OD2 3.75Å; R30-D126 PolarHBondContact NH2-OD2 2.67Å; R30-Y137 VanDerWaalsContact NH2-CZ 3.34Å; R30-Y137 PolarHBondContact NH2-OH 3.28Å
31	Y	98.8	Very high	84.5	Confident	14 Å²	14	55.4 Å²	55.4	6%	0.055	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	136.9	168.7	-69	-90.6	0	0	0	109.1	M29 V49 F57 V58 M122 F123	M29-Y31 HydrophobicContact CE-CE2 4.15Å; M29-Y31 HydrophobicContact CG-CE2 4.03Å; M29-Y31 HydrophobicContact SD-CE2 4Å; Y31-V49 WeakPolarHBondContact CA-O 3.39Å; Y31-F57 AromaticContact CE1-CZ 3.94Å; Y31-F57 HydrophobicContact CE1-CZ 3.94Å; Y31-F57 AromaticContact CZ-CZ 3.71Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.42Å; Y31-V58 HydrophobicContact CE1-CG2 3.95Å; Y31-M122 VanDerWaalsContact O-CA 3.29Å; Y31-M122 WeakPolarHBondContact O-CA 2.76Å; Y31-F123 VanDerWaalsContact CB-CZ 3.5Å; Y31-F123 HydrophobicContact CD2-CD2 4.36Å; Y31-F123 AromaticContact CD2-CE2 3.63Å; Y31-F123 HydrophobicContact CD2-CE2 3.63Å; Y31-F123 AromaticContact CD2-CZ 3.82Å; Y31-F123 HydrophobicContact CD2-CZ 3.82Å; Y31-F123 HydrophobicContact CE2-CE2 4.39Å; Y31-F123 HydrophobicContact CG-CE1 4.31Å; Y31-F123 HydrophobicContact CG-CE2 4.04Å; Y31-F123 AromaticContact CG-CZ 3.74Å; Y31-F123 HydrophobicContact CG-CZ 3.74Å; Y31-F123 PolarHBondContact N-O 2.82Å; Y31-F123 PolarHBondContact O-N 2.98Å; Y31-F123 VanDerWaalsContact O-N 3.08Å
32	F	98.8	Very high	86.8	Confident	85 Å²	85	50.4 Å²	50.4	37%	0.373	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.7	174.9	-56.5	-97.2	0	0	0	108.1	R30 A48 V49 Y51 W121 M122	R30-F32 HydrophobicContact CB-CD2 4.41Å; R30-F32 HydrophobicContact CB-CE2 3.57Å; R30-F32 HydrophobicContact CB-CZ 3.94Å; F32-A48 CarbonylContact O-C 3.56Å; F32-A48 VanDerWaalsContact O-CA 3.27Å; F32-A48 WeakPolarHBondContact O-CA 3.3Å; F32-V49 HydrophobicContact CB-CG2 3.87Å; F32-V49 HydrophobicContact CD2-CG2 4.33Å; F32-V49 PolarHBondContact N-O 2.85Å; F32-V49 PolarHBondContact O-N 3.28Å; F32-Y51 HydrophobicContact CD2-CD2 4.21Å; F32-Y51 HydrophobicContact CE2-CD2 4.23Å; F32-W121 CarbonylContact C-O 3.6Å; F32-W121 WeakPolarHBondContact CA-O 3.05Å; F32-M122 HydrophobicContact CD1-CB 3.9Å; F32-M122 HydrophobicContact CD1-CG 3.57Å; F32-M122 HydrophobicContact CE1-CB 4.11Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CG-CG 4.36Å; F32-M122 HydrophobicContact CZ-CG 3.98Å
33	S	98.6	Very high	89.2	Confident	5 Å²	5	50 Å²	50	4%	0.035	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	148	170.5	59.2	0	0	0	0	110.8	I47 Q120 W121	S33-I47 CarbonylContact C-O 3.55Å; S33-I47 VanDerWaalsContact CA-O 3.23Å; S33-I47 WeakPolarHBondContact CA-O 3.35Å; S33-Q120 WeakPolarHBondContact O-CA 3.39Å; S33-W121 PolarHBondContact N-O 3.35Å; S33-W121 PolarHBondContact O-N 3.06Å; S33-W121 PolarHBondContact OG-O 2.91Å
34	T	98.8	Very high	91.4	Very high	44 Å²	44	47.1 Å²	47.1	27%	0.27	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	123.7	178.8	-59.5	0	0	0	0	108.8	V36 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 4.02Å; T34-I47 PolarHBondContact N-O 2.81Å; T34-I47 PolarHBondContact O-N 3.49Å; T34-T118 HydrophobicContact CG2-CG2 3.81Å; T34-L119 WeakPolarHBondContact CA-O 3.43Å; T34-Q120 HydrophobicContact CG2-CG 4.11Å
35	S	98.6	Very high	93.5	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.007	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	118.4	177.3	-77.2	0	0	0	0	110.3	R45 F46 D98 T118 L119	S35-R45 CarbonylContact C-O 3.59Å; S35-R45 WeakPolarHBondContact CA-O 3.48Å; S35-F46 VanDerWaalsContact OG-CD2 3.29Å; S35-F46 WeakPolarHBondContact OG-CD2 3.22Å; S35-D98 WeakPolarHBondContact CB-OD2 3.37Å; S35-D98 WeakPolarHBondContact OG-CB 3.5Å; S35-D98 VanDerWaalsContact OG-CG 3.32Å; S35-D98 PolarHBondContact OG-OD2 2.03Å; S35-T118 CarbonylContact O-C 3.58Å; S35-T118 WeakPolarHBondContact O-CA 3.46Å; S35-L119 PolarHBondContact N-O 3.44Å; S35-L119 PolarHBondContact O-N 3.19Å
36	V	98.3	Very high	94.7	Very high	46 Å²	46	46.3 Å²	46.3	28%	0.279	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	114.8	-179	-173.3	0	0	0	0	109.2	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 4.02Å; V36-P44 CarbonylContact O-C 3.41Å; V36-P44 WeakPolarHBondContact O-CA 3.25Å; V36-P44 WeakPolarHBondContact O-CB 3.35Å; V36-R45 PolarHBondContact N-O 2.91Å; V36-R45 PolarHBondContact O-N 3.04Å; V36-H117 WeakPolarHBondContact CA-O 3.42Å; V36-T118 HydrophobicContact CG2-CG2 4.21Å
37	S	97.1	Very high	95.1	Very high	18 Å²	18	45.1 Å²	45.1	13%	0.126	27%	0.271	C	S	.	.			trans	-67.7	145.7	174.5	74.8	0	0	0	0	110.6	S116 H117	S37-S116 PolarHBondContact O-OG 2.9Å; S37-H117 PolarHBondContact N-O 2.93Å; S37-H117 PolarHBondContact OG-N 2.77Å; S37-H117 PolarHBondContact OG-O 3.27Å
38	R	94.3	Very high	95.3	Very high	72 Å²	72	44 Å²	44	27%	0.272	27%	0.266	S	S	.	.			trans	-133.9	76.2	-177.1	-68.3	-177.3	-79.8	-171	-3.5	110.4	G40 S41 E43 R45 D63	R38-G40 PolarHBondContact O-N 2.94Å; R38-S41 PolarHBondContact O-N 3.42Å; R38-E43 PolarHBondContact NE-O 3.02Å; R38-E43 PolarHBondContact NH2-O 3.36Å; R38-R45 VanDerWaalsContact CZ-CB 3.42Å; R38-D63 IonicContact CZ-OD1 3.51Å; R38-D63 IonicContact CZ-OD2 3.86Å; R38-D63 IonicContact NH1-OD1 2.72Å; R38-D63 IonicContact NH1-OD2 3.37Å; R38-D63 PolarHBondContact NH1-OD2 3.35Å; R38-D63 IonicContact NH2-OD1 3.04Å; R38-D63 PolarHBondContact NH2-OD1 3.36Å; R38-D63 IonicContact NH2-OD2 3.91Å; R38-D63 PolarHBondContact NH2-OD2 3.28Å; R38-D63 VanDerWaalsContact NH2-OD2 3.16Å
39	P	87.2	Confident	95.4	Very high	56 Å²	56	44.2 Å²	44.2	36%	0.364	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	125.9	-179	-25.9	34.1	0	0	0	111.6	S41 E113 G115	P39-S41 PolarHBondContact O-N 3.45Å; P39-E113 WeakPolarHBondContact CB-O 3.48Å; P39-E113 WeakPolarHBondContact CG-O 3.47Å; P39-G115 WeakPolarHBondContact CG-O 3.17Å
40	G	83.6	Confident	95.4	Very high	89 Å²	89	44.2 Å²	44.2	92%	0.918	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	-1.2	179.8	0	0	0	0	0	116.2	R38	R38-G40 PolarHBondContact O-N 2.94Å
41	S	84.8	Confident	95.4	Very high	99 Å²	99	45.3 Å²	45.3	69%	0.692	27%	0.271	S	S	*	.	S	Bend	trans	-121.6	21.6	179.2	-60.8	0	0	0	0	113.6	R38 P39	R38-S41 PolarHBondContact O-N 3.42Å; P39-S41 PolarHBondContact O-N 3.45Å
42	G	85.8	Confident	95.4	Very high	59 Å²	59	44.6 Å²	44.6	61%	0.608	27%	0.268	S	S	*	.	S	Bend	trans	103.5	-151.7	173.8	0	0	0	0	0	114.2
43	E	92.3	Very high	95.2	Very high	94 Å²	94	42 Å²	42	44%	0.439	26%	0.258	S	S	.	.	S	Bend	trans	-73.4	154.4	-179.5	-63.4	-61.2	164.1	0	0	112.2	R38 R45 R99	R38-E43 PolarHBondContact NE-O 3.02Å; R38-E43 PolarHBondContact NH2-O 3.36Å; E43-R45 PolarHBondContact O-N 2.92Å; E43-R99 IonicContact OE1-CZ 3.59Å; E43-R99 IonicContact OE1-NE 3.82Å; E43-R99 IonicContact OE1-NH1 2.77Å; E43-R99 PolarHBondContact OE1-NH1 2.97Å; E43-R99 IonicContact OE1-NH2 3.45Å; E43-R99 PolarHBondContact OE1-NH2 2.85Å; E43-R99 WeakPolarHBondContact OE2-CD 3.49Å; E43-R99 IonicContact OE2-CZ 3.62Å; E43-R99 IonicContact OE2-NE 3.15Å; E43-R99 PolarHBondContact OE2-NE 3.25Å; E43-R99 IonicContact OE2-NH1 3.32Å; E43-R99 PolarHBondContact OE2-NH1 2.81Å; E43-R99 IonicContact OE2-NH2 2.7Å; E43-R99 PolarHBondContact OE2-NH2 3.38Å; E43-R99 VanDerWaalsContact OE2-NH2 3.14Å
44	P	96.1	Very high	95.1	Very high	27 Å²	27	44.7 Å²	44.7	18%	0.175	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-53	138.6	171.7	-25.2	34.9	0	0	0	111.8	V36 R99 L102	V36-P44 CarbonylContact O-C 3.41Å; V36-P44 WeakPolarHBondContact O-CA 3.25Å; V36-P44 WeakPolarHBondContact O-CB 3.35Å; P44-R99 HydrophobicContact CG-CB 4.38Å; P44-R99 HydrophobicContact CG-CG 4.23Å; P44-L102 HydrophobicContact CB-CD1 3.71Å; P44-L102 HydrophobicContact CG-CD1 3.82Å
45	R	97.8	Very high	95	Very high	84 Å²	84	44 Å²	44	32%	0.317	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	129.9	170.3	-160.7	170.4	174.5	178.2	-4.4	108.4	S35 V36 R38 E43 I47 D61 D63	S35-R45 CarbonylContact C-O 3.59Å; S35-R45 WeakPolarHBondContact CA-O 3.48Å; V36-R45 PolarHBondContact N-O 2.91Å; V36-R45 PolarHBondContact O-N 3.04Å; R38-R45 VanDerWaalsContact CZ-CB 3.42Å; E43-R45 PolarHBondContact O-N 2.92Å; R45-I47 HydrophobicContact CG-CG1 4.22Å; R45-D61 IonicContact CZ-OD1 2.73Å; R45-D61 IonicContact CZ-OD2 3.41Å; R45-D61 IonicContact NE-OD1 2.65Å; R45-D61 PolarHBondContact NE-OD1 2.8Å; R45-D61 VanDerWaalsContact NE-OD1 3.11Å; R45-D61 IonicContact NE-OD2 3.67Å; R45-D61 IonicContact NH2-OD1 3.49Å; R45-D61 PolarHBondContact NH2-OD1 2.81Å; R45-D61 IonicContact NH2-OD2 3.61Å; R45-D61 PolarHBondContact NH2-OD2 3.33Å; R45-D63 VanDerWaalsContact CD-OD2 3.28Å; R45-D63 WeakPolarHBondContact CD-OD2 3.47Å; R45-D63 IonicContact CZ-OD2 3.16Å; R45-D63 IonicContact NE-OD2 2.67Å; R45-D63 PolarHBondContact NE-OD2 3.42Å
46	F	98.6	Very high	94.9	Very high	5 Å²	5	46.4 Å²	46.4	2%	0.022	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.3	171.1	176.9	-91	0	0	0	109.4	S35 A48 F60 S62 Y91 Q94 A95 D98	S35-F46 VanDerWaalsContact OG-CD2 3.29Å; S35-F46 WeakPolarHBondContact OG-CD2 3.22Å; F46-A48 HydrophobicContact CE1-CB 3.67Å; F46-A48 HydrophobicContact CZ-CB 3.82Å; F46-F60 AromaticContact CD1-CD1 3.63Å; F46-F60 HydrophobicContact CD1-CD1 3.63Å; F46-F60 AromaticContact CD1-CE1 3.75Å; F46-F60 HydrophobicContact CD1-CE1 3.75Å; F46-F60 AromaticContact CE1-CD1 3.87Å; F46-F60 HydrophobicContact CE1-CD1 3.87Å; F46-F60 HydrophobicContact CE1-CE1 4.28Å; F46-S62 PolarHBondContact N-OG 2.89Å; F46-S62 PolarHBondContact O-N 3.33Å; F46-S62 PolarHBondContact O-OG 3.26Å; F46-Y91 HydrophobicContact CE1-CD1 4.22Å; F46-Q94 HydrophobicContact CE2-CB 4.1Å; F46-Q94 HydrophobicContact CE2-CG 3.69Å; F46-Q94 HydrophobicContact CZ-CB 3.88Å; F46-Q94 HydrophobicContact CZ-CG 3.81Å; F46-A95 HydrophobicContact CB-CB 3.63Å; F46-A95 HydrophobicContact CD1-CB 3.86Å; F46-A95 HydrophobicContact CD2-CB 4Å; F46-A95 HydrophobicContact CG-CB 3.56Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.36Å
47	I	98.8	Very high	94.9	Very high	48 Å²	48	44.2 Å²	44.2	25%	0.246	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	134.1	172.8	-57.1	174.6	0	0	0	107.4	S33 T34 R45 F60	S33-I47 CarbonylContact C-O 3.55Å; S33-I47 VanDerWaalsContact CA-O 3.23Å; S33-I47 WeakPolarHBondContact CA-O 3.35Å; T34-I47 PolarHBondContact N-O 2.81Å; T34-I47 PolarHBondContact O-N 3.49Å; R45-I47 HydrophobicContact CG-CG1 4.22Å; I47-F60 WeakPolarHBondContact CA-O 3.35Å
48	A	98.8	Very high	95	Very high	4 Å²	4	43.3 Å²	43.3	3%	0.033	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	143.2	170.5	0	0	0	0	0	110.9	F32 F46 R59 F60 Y91	F32-A48 CarbonylContact O-C 3.56Å; F32-A48 VanDerWaalsContact O-CA 3.27Å; F32-A48 WeakPolarHBondContact O-CA 3.3Å; F46-A48 HydrophobicContact CE1-CB 3.67Å; F46-A48 HydrophobicContact CZ-CB 3.82Å; A48-R59 CarbonylContact O-C 3.59Å; A48-R59 WeakPolarHBondContact O-CA 3.33Å; A48-F60 HydrophobicContact CB-CB 4.39Å; A48-F60 PolarHBondContact N-O 3.31Å; A48-F60 PolarHBondContact O-N 2.9Å; A48-Y91 HydrophobicContact CB-CD1 3.62Å; A48-Y91 HydrophobicContact CB-CE1 3.55Å
49	V	98.8	Very high	95.2	Very high	29 Å²	29	43.9 Å²	43.9	18%	0.176	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	146.9	176.5	-62.8	0	0	0	0	109.5	Y31 F32 Y51 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.39Å; F32-V49 HydrophobicContact CB-CG2 3.87Å; F32-V49 HydrophobicContact CD2-CG2 4.33Å; F32-V49 PolarHBondContact N-O 2.85Å; F32-V49 PolarHBondContact O-N 3.28Å; V49-Y51 HydrophobicContact CB-CE2 4.11Å; V49-Y51 HydrophobicContact CG2-CD2 4.36Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; V49-V58 WeakPolarHBondContact CA-O 3.16Å; V49-R59 HydrophobicContact CG1-CG 4.3Å
50	G	98.6	Very high	95.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	139.8	176	0	0	0	0	0	110.4	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.6Å; R30-G50 WeakPolarHBondContact O-CA 3.32Å; G50-Q56 WeakPolarHBondContact O-CA 3.44Å; G50-F57 WeakPolarHBondContact O-CD1 3.42Å; G50-F57 PolarHBondContact O-N 3.32Å; G50-V58 PolarHBondContact N-O 3.34Å; G50-V58 PolarHBondContact O-N 2.86Å
51	Y	98.6	Very high	96.4	Very high	72 Å²	72	38 Å²	38	28%	0.282	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.6	178.6	-74.8	-102	0	0	0	110.2	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.34Å; R30-Y51 PolarHBondContact N-O 2.8Å; R30-Y51 PolarHBondContact O-N 3.48Å; F32-Y51 HydrophobicContact CD2-CD2 4.21Å; F32-Y51 HydrophobicContact CE2-CD2 4.23Å; V49-Y51 HydrophobicContact CB-CE2 4.11Å; V49-Y51 HydrophobicContact CG2-CD2 4.36Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; Y51-T55 WeakPolarHBondContact CA-O 3.09Å; Y51-Q56 HydrophobicContact CD1-CB 4Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CG 4.42Å; Y51-Q56 HydrophobicContact CE1-CB 3.5Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.5Å; Y51-Q56 HydrophobicContact CE1-CG 4.2Å; Y51-Q56 HydrophobicContact CE2-CB 4.14Å; Y51-Q56 HydrophobicContact CE2-CG 3.9Å
52	V	98.2	Very high	97.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.5	156.6	176.7	0	0	0	0	105.7	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.58Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.34Å; M29-V52 HydrophobicContact CG-CG2 4.3Å; V52-D54 PolarHBondContact O-N 3.09Å; V52-T55 PolarHBondContact N-O 3.09Å; V52-T55 WeakPolarHBondContact O-CB 3.25Å; V52-T55 PolarHBondContact O-N 2.99Å; V52-F57 HydrophobicContact CG2-CD1 4.02Å; V52-F57 HydrophobicContact CG2-CE1 4.02Å; V52-W75 HydrophobicContact CB-CH2 4.36Å; V52-W75 HydrophobicContact CB-CZ2 4.43Å; V52-W75 HydrophobicContact CG2-CH2 3.84Å; V52-W75 HydrophobicContact CG2-CZ2 4.4Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.27Å; V52-Y195 HydrophobicContact CG2-CD2 3.99Å; V52-Y195 HydrophobicContact CG2-CG 4.47Å; V52-L196 HydrophobicContact CG1-CD2 4.1Å; V52-L203 HydrophobicContact CB-CD1 4.28Å; V52-L203 HydrophobicContact CB-CD2 4.15Å; V52-L203 HydrophobicContact CG1-CD1 3.86Å; V52-L203 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CG1-CG 4.49Å
53	D	95.8	Very high	97.6	Very high	29 Å²	29	35.9 Å²	35.9	16%	0.155	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	-124.6	-166.4	-52.8	-38.7	0	0	0	110.4	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.23Å; H27-D53 WeakPolarHBondContact CA-OD1 3.21Å; H27-D53 IonicContact CE1-OD2 3.6Å; H27-D53 IonicContact CG-OD2 3.32Å; H27-D53 IonicContact ND1-OD1 3.2Å; H27-D53 IonicContact ND1-OD2 3.29Å; H27-D53 PolarHBondContact ND1-OD2 2.66Å; S28-D53 PolarHBondContact N-OD1 3.23Å; S28-D53 PolarHBondContact O-N 2.96Å; D53-T55 VanDerWaalsContact C-N 3.34Å
54	D	95.7	Very high	97.8	Very high	63 Å²	63	33 Å²	33	34%	0.337	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	8	179.1	-60.9	-55.7	0	0	0	113.5	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.09Å; D54-Y233 HydrophobicContact CB-CE2 4.04Å; D54-P234 VanDerWaalsContact OD2-CB 3.28Å; D54-P234 WeakPolarHBondContact OD2-CB 3.06Å; D54-A235 HydrophobicContact CB-CB 4.31Å; D54-A235 WeakPolarHBondContact OD2-CB 3.3Å; D54-A235 PolarHBondContact OD2-N 2.89Å; D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.7Å
55	T	96.7	Very high	97.8	Very high	29 Å²	29	37.3 Å²	37.3	18%	0.178	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	113.3	-176.3	-61.2	0	0	0	0	111.7	Y51 V52 D53 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.09Å; V52-T55 PolarHBondContact N-O 3.09Å; V52-T55 WeakPolarHBondContact O-CB 3.25Å; V52-T55 PolarHBondContact O-N 2.99Å; D53-T55 VanDerWaalsContact C-N 3.34Å; T55-F57 PolarHBondContact O-N 2.84Å; T55-A73 HydrophobicContact CG2-CB 4.43Å; T55-L203 HydrophobicContact CG2-CD2 4.15Å; T55-Y233 PolarHBondContact OG1-OH 2.84Å; T55-Y233 VanDerWaalsContact OG1-OH 3.05Å
56	Q	97.6	Very high	97.7	Very high	51 Å²	51	37.1 Å²	37.1	24%	0.238	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	128.4	173.1	-166.8	-179.9	7.3	0	0	110.4	G50 Y51 V58 R72	G50-Q56 WeakPolarHBondContact O-CA 3.44Å; Y51-Q56 HydrophobicContact CD1-CB 4Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CG 4.42Å; Y51-Q56 HydrophobicContact CE1-CB 3.5Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.5Å; Y51-Q56 HydrophobicContact CE1-CG 4.2Å; Y51-Q56 HydrophobicContact CE2-CB 4.14Å; Y51-Q56 HydrophobicContact CE2-CG 3.9Å; Q56-V58 PolarHBondContact NE2-O 2.85Å; Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.12Å; Q56-R72 HydrophobicContact CG-CG 4.34Å; Q56-R72 CarbonylContact O-C 3.53Å
57	F	98.1	Very high	97.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	-22.6	-179.5	75.9	-83	0	0	0	114.4	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.42Å; M29-F57 HydrophobicContact SD-CZ 4.3Å; Y31-F57 AromaticContact CE1-CZ 3.94Å; Y31-F57 HydrophobicContact CE1-CZ 3.94Å; Y31-F57 AromaticContact CZ-CZ 3.71Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.42Å; G50-F57 WeakPolarHBondContact O-CD1 3.42Å; G50-F57 PolarHBondContact O-N 3.32Å; V52-F57 HydrophobicContact CG2-CD1 4.02Å; V52-F57 HydrophobicContact CG2-CE1 4.02Å; T55-F57 PolarHBondContact O-N 2.84Å; F57-R72 PolarHBondContact O-N 2.88Å; F57-A73 HydrophobicContact CB-CB 4.09Å; F57-W75 HydrophobicContact CB-CH2 3.11Å; F57-W75 HydrophobicContact CB-CZ2 3.36Å; F57-W75 HydrophobicContact CB-CZ3 3.9Å; F57-W75 HydrophobicContact CD1-CH2 4.01Å; F57-W75 AromaticContact CD2-CH2 3.75Å; F57-W75 HydrophobicContact CD2-CH2 3.75Å; F57-W75 AromaticContact CD2-CZ3 3.97Å; F57-W75 HydrophobicContact CD2-CZ3 3.97Å; F57-W75 AromaticContact CG-CH2 3.38Å; F57-W75 HydrophobicContact CG-CH2 3.38Å; F57-W75 HydrophobicContact CG-CZ2 4.1Å; F57-W75 HydrophobicContact CG-CZ3 4.08Å; F57-V76 HydrophobicContact CB-CG1 4.39Å; F57-V76 HydrophobicContact CD2-CB 4.39Å; F57-V76 HydrophobicContact CD2-CG2 4.11Å; F57-V76 VanDerWaalsContact O-CG1 3.27Å; F57-V76 WeakPolarHBondContact O-CG1 3.26Å; F57-Y195 HydrophobicContact CD2-CE2 4.47Å; F57-Y195 HydrophobicContact CE2-CD2 4.3Å; F57-Y195 AromaticContact CE2-CE2 3.65Å; F57-Y195 HydrophobicContact CE2-CE2 3.65Å; F57-Y195 AromaticContact CE2-CZ 3.86Å; F57-Y195 HydrophobicContact CZ-CD2 4.36Å; F57-Y195 AromaticContact CZ-CE2 3.83Å; F57-Y195 HydrophobicContact CZ-CE2 3.83Å
58	V	98.3	Very high	97.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	152.4	177.1	-73.3	0	0	0	0	112.6	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG2 3.95Å; V49-V58 WeakPolarHBondContact CA-O 3.16Å; G50-V58 PolarHBondContact N-O 3.34Å; G50-V58 PolarHBondContact O-N 2.86Å; Q56-V58 PolarHBondContact NE2-O 2.85Å; V58-E70 WeakPolarHBondContact CA-O 3.33Å; V58-W84 HydrophobicContact CG1-CH2 3.93Å; V58-W84 HydrophobicContact CG1-CZ3 3.86Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.46Å
59	R	98.4	Very high	97.5	Very high	83 Å²	83	43.7 Å²	43.7	31%	0.313	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	147.9	171.4	179.3	173.5	171	145.7	1.1	111	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.59Å; A48-R59 WeakPolarHBondContact O-CA 3.33Å; V49-R59 HydrophobicContact CG1-CG 4.3Å; R59-D61 IonicContact NH2-OD2 2.8Å; R59-D61 PolarHBondContact NH2-OD2 2.89Å; R59-E70 PolarHBondContact N-O 2.7Å; R59-E70 PolarHBondContact O-N 2.99Å; R59-R72 HydrophobicContact CB-CG 3.93Å
60	F	98.8	Very high	97.4	Very high	4 Å²	4	45 Å²	45	2%	0.018	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	141.3	166	179	-83.9	0	0	0	109.3	F46 I47 A48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.63Å; F46-F60 HydrophobicContact CD1-CD1 3.63Å; F46-F60 AromaticContact CD1-CE1 3.75Å; F46-F60 HydrophobicContact CD1-CE1 3.75Å; F46-F60 AromaticContact CE1-CD1 3.87Å; F46-F60 HydrophobicContact CE1-CD1 3.87Å; F46-F60 HydrophobicContact CE1-CE1 4.28Å; I47-F60 WeakPolarHBondContact CA-O 3.35Å; A48-F60 HydrophobicContact CB-CB 4.39Å; A48-F60 PolarHBondContact N-O 3.31Å; A48-F60 PolarHBondContact O-N 2.9Å; F60-P67 HydrophobicContact CE2-CB 3.93Å; F60-P67 HydrophobicContact CZ-CB 3.68Å; F60-R68 WeakPolarHBondContact CD2-O 3.33Å; F60-Y91 HydrophobicContact CB-CD1 4.14Å; F60-Y91 HydrophobicContact CB-CD2 3.62Å; F60-Y91 HydrophobicContact CB-CE1 4.5Å; F60-Y91 HydrophobicContact CB-CE2 4.02Å; F60-Y91 HydrophobicContact CB-CG 3.7Å; F60-Y91 HydrophobicContact CD1-CG 4.36Å; F60-Y91 AromaticContact CD2-CD2 3.71Å; F60-Y91 HydrophobicContact CD2-CD2 3.71Å; F60-Y91 AromaticContact CD2-CG 3.89Å; F60-Y91 HydrophobicContact CD2-CG 3.89Å; F60-Y91 HydrophobicContact CG-CD1 4.48Å; F60-Y91 AromaticContact CG-CD2 3.84Å; F60-Y91 HydrophobicContact CG-CD2 3.84Å; F60-Y91 AromaticContact CG-CG 3.73Å; F60-Y91 HydrophobicContact CG-CG 3.73Å; F60-K92 HydrophobicContact CE2-CG 4.34Å; F60-K92 HydrophobicContact CZ-CG 4.1Å
61	D	98.6	Very high	97.4	Very high	19 Å²	19	47.3 Å²	47.3	10%	0.102	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	121.6	175.3	-163.5	-27.4	0	0	0	109.4	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 2.73Å; R45-D61 IonicContact CZ-OD2 3.41Å; R45-D61 IonicContact NE-OD1 2.65Å; R45-D61 PolarHBondContact NE-OD1 2.8Å; R45-D61 VanDerWaalsContact NE-OD1 3.11Å; R45-D61 IonicContact NE-OD2 3.67Å; R45-D61 IonicContact NH2-OD1 3.49Å; R45-D61 PolarHBondContact NH2-OD1 2.81Å; R45-D61 IonicContact NH2-OD2 3.61Å; R45-D61 PolarHBondContact NH2-OD2 3.33Å; R59-D61 IonicContact NH2-OD2 2.8Å; R59-D61 PolarHBondContact NH2-OD2 2.89Å; D61-D63 PolarHBondContact O-N 2.84Å; D61-D63 PolarHBondContact OD1-N 2.92Å; D61-D63 VanDerWaalsContact OD1-N 3.13Å; D61-A64 HydrophobicContact CB-CB 4.44Å; D61-A64 WeakPolarHBondContact O-CB 3.45Å; D61-A64 PolarHBondContact O-N 2.95Å
62	S	97.9	Very high	97.3	Very high	37 Å²	37	49.6 Å²	49.6	26%	0.259	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-23.5	-179.9	65.5	0	0	0	0	113.3	F46 A64 P67	F46-S62 PolarHBondContact N-OG 2.89Å; F46-S62 PolarHBondContact O-N 3.33Å; F46-S62 PolarHBondContact O-OG 3.26Å; S62-A64 VanDerWaalsContact C-N 3.35Å; S62-P67 WeakPolarHBondContact O-CG 3.47Å
63	D	96.6	Very high	97.2	Very high	76 Å²	76	49.8 Å²	49.8	41%	0.406	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-4	-178.7	-72.9	6	0	0	0	112.8	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.51Å; R38-D63 IonicContact CZ-OD2 3.86Å; R38-D63 IonicContact NH1-OD1 2.72Å; R38-D63 IonicContact NH1-OD2 3.37Å; R38-D63 PolarHBondContact NH1-OD2 3.35Å; R38-D63 IonicContact NH2-OD1 3.04Å; R38-D63 PolarHBondContact NH2-OD1 3.36Å; R38-D63 IonicContact NH2-OD2 3.91Å; R38-D63 PolarHBondContact NH2-OD2 3.28Å; R38-D63 VanDerWaalsContact NH2-OD2 3.16Å; R45-D63 VanDerWaalsContact CD-OD2 3.28Å; R45-D63 WeakPolarHBondContact CD-OD2 3.47Å; R45-D63 IonicContact CZ-OD2 3.16Å; R45-D63 IonicContact NE-OD2 2.67Å; R45-D63 PolarHBondContact NE-OD2 3.42Å; D61-D63 PolarHBondContact O-N 2.84Å; D61-D63 PolarHBondContact OD1-N 2.92Å; D61-D63 VanDerWaalsContact OD1-N 3.13Å
64	A	96.6	Very high	97.2	Very high	34 Å²	34	53.1 Å²	53.1	28%	0.281	30%	0.297	S	S	.	.	S	Bend	trans	-61.5	148.2	174.2	0	0	0	0	0	110.7	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.44Å; D61-A64 WeakPolarHBondContact O-CB 3.45Å; D61-A64 PolarHBondContact O-N 2.95Å; S62-A64 VanDerWaalsContact C-N 3.35Å; A64-S66 PolarHBondContact O-N 3.14Å; A64-S66 VanDerWaalsContact O-N 3.13Å; A64-P67 WeakPolarHBondContact O-CD 3.39Å; A64-P67 VanDerWaalsContact O-CG 3.27Å; A64-P67 WeakPolarHBondContact O-CG 3.39Å
65	A	96.2	Very high	97.2	Very high	117 Å²	117	50.7 Å²	50.7	97%	0.967	28%	0.283	S	S	*	.	S	Bend	trans	-58.3	-30.6	179.6	0	0	0	0	0	113.1
66	S	95.6	Very high	97.3	Very high	80 Å²	80	49.3 Å²	49.3	56%	0.559	28%	0.275	S	S	*	.	S	Bend	trans	-133.9	89.2	171.3	-173.8	0	0	0	0	109.2	A64 R68	A64-S66 PolarHBondContact O-N 3.14Å; A64-S66 VanDerWaalsContact O-N 3.13Å; S66-R68 PolarHBondContact O-N 3.32Å; S66-R68 VanDerWaalsContact O-N 3.08Å
67	P	96.8	Very high	97.2	Very high	36 Å²	36	52.8 Å²	52.8	23%	0.234	29%	0.291	C	S	.	.			trans	-64.8	111.1	-175.2	-23.7	35	0	0	0	111.9	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.93Å; F60-P67 HydrophobicContact CZ-CB 3.68Å; S62-P67 WeakPolarHBondContact O-CG 3.47Å; A64-P67 WeakPolarHBondContact O-CD 3.39Å; A64-P67 VanDerWaalsContact O-CG 3.27Å; A64-P67 WeakPolarHBondContact O-CG 3.39Å; P67-K92 WeakPolarHBondContact O-CE 3.35Å; P67-K92 PolarHBondContact O-NZ 3.33Å
68	R	97.7	Very high	97	Very high	153 Å²	153	58.6 Å²	58.6	58%	0.577	32%	0.318	S	S	*	.			trans	-146.5	160.3	177.2	63.6	-176.4	173.8	174	0	110.7	F60 S66 E70 T88	F60-R68 WeakPolarHBondContact CD2-O 3.33Å; S66-R68 PolarHBondContact O-N 3.32Å; S66-R68 VanDerWaalsContact O-N 3.08Å; R68-E70 HydrophobicContact CG-CG 4.44Å; R68-E70 PolarHBondContact O-N 2.92Å; R68-T88 HydrophobicContact CB-CG2 4.2Å
69	G	97.4	Very high	96.9	Very high	6 Å²	6	59.1 Å²	59.1	6%	0.062	32%	0.32	C	S	.	.			trans	-64.4	130.2	168.7	0	0	0	0	0	109.7	T88	G69-T88 PolarHBondContact N-OG1 2.88Å
70	E	97.6	Very high	96.8	Very high	57 Å²	57	56.9 Å²	56.9	27%	0.266	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	133.2	-178.9	-64.7	177.3	165.1	0	0	109.9	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.33Å; R59-E70 PolarHBondContact N-O 2.7Å; R59-E70 PolarHBondContact O-N 2.99Å; R68-E70 HydrophobicContact CG-CG 4.44Å; R68-E70 PolarHBondContact O-N 2.92Å; E70-R72 IonicContact OE2-CZ 2.81Å; E70-R72 IonicContact OE2-NH2 3.74Å; E70-R72 PolarHBondContact OE2-NH2 2.69Å
71	P	97.9	Very high	96.7	Very high	48 Å²	48	61.4 Å²	61.4	31%	0.312	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	145.3	172.1	28.6	-33.6	0	0	0	110.7	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.79Å; P71-E77 HydrophobicContact CB-CG 3.7Å; P71-E77 HydrophobicContact CG-CG 3.95Å; P71-W84 HydrophobicContact CB-CH2 3.62Å; P71-W84 HydrophobicContact CB-CZ2 3.79Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.24Å
72	R	97.4	Very high	96.6	Very high	120 Å²	120	68.1 Å²	68.1	45%	0.453	38%	0.383	S	S	.	.			trans	-127.5	-0.9	174.8	-61.1	-64.6	171.7	179.6	-1.7	113.1	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.12Å; Q56-R72 HydrophobicContact CG-CG 4.34Å; Q56-R72 CarbonylContact O-C 3.53Å; F57-R72 PolarHBondContact O-N 2.88Å; R59-R72 HydrophobicContact CB-CG 3.93Å; E70-R72 IonicContact OE2-CZ 2.81Å; E70-R72 IonicContact OE2-NH2 3.74Å; E70-R72 PolarHBondContact OE2-NH2 2.69Å
73	A	96.1	Very high	96.6	Very high	4 Å²	4	66.7 Å²	66.7	3%	0.033	37%	0.372	C	S	.	.	S	Bend	trans	-137.9	144.1	173.7	0	0	0	0	0	111	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.43Å; F57-A73 HydrophobicContact CB-CB 4.09Å; A73-W75 VanDerWaalsContact C-N 3.3Å; A73-W75 HydrophobicContact CB-CD2 4.15Å; A73-W75 HydrophobicContact CB-CG 4.38Å; A73-W75 HydrophobicContact CB-CZ2 3.97Å; A73-W75 PolarHBondContact O-N 3.4Å; A73-V76 WeakPolarHBondContact O-CG1 3.45Å; A73-V76 PolarHBondContact O-N 3.1Å
74	P	96	Very high	96.7	Very high	98 Å²	98	64.9 Å²	64.9	64%	0.636	36%	0.36	S	S	*	.	H	α-helix	trans	-58.5	-37.7	-177.1	-26.4	34.8	0	0	0	114.1	V76 E77	P74-V76 PolarHBondContact O-N 2.95Å; P74-E77 WeakPolarHBondContact O-CB 3.41Å; P74-E77 PolarHBondContact O-N 3.39Å; P74-E77 VanDerWaalsContact O-N 3.09Å
75	W	95.9	Very high	96.7	Very high	13 Å²	13	68.4 Å²	68.4	5%	0.049	37%	0.374	C	S	.	.	H	α-helix	trans	-70	-13.4	-176.1	53	-106.4	0	0	0	114.5	V52 F57 A73 Q78 Y195 N198 T202 L203	V52-W75 HydrophobicContact CB-CH2 4.36Å; V52-W75 HydrophobicContact CB-CZ2 4.43Å; V52-W75 HydrophobicContact CG2-CH2 3.84Å; V52-W75 HydrophobicContact CG2-CZ2 4.4Å; F57-W75 HydrophobicContact CB-CH2 3.11Å; F57-W75 HydrophobicContact CB-CZ2 3.36Å; F57-W75 HydrophobicContact CB-CZ3 3.9Å; F57-W75 HydrophobicContact CD1-CH2 4.01Å; F57-W75 AromaticContact CD2-CH2 3.75Å; F57-W75 HydrophobicContact CD2-CH2 3.75Å; F57-W75 AromaticContact CD2-CZ3 3.97Å; F57-W75 HydrophobicContact CD2-CZ3 3.97Å; F57-W75 AromaticContact CG-CH2 3.38Å; F57-W75 HydrophobicContact CG-CH2 3.38Å; F57-W75 HydrophobicContact CG-CZ2 4.1Å; F57-W75 HydrophobicContact CG-CZ3 4.08Å; A73-W75 VanDerWaalsContact C-N 3.3Å; A73-W75 HydrophobicContact CB-CD2 4.15Å; A73-W75 HydrophobicContact CB-CG 4.38Å; A73-W75 HydrophobicContact CB-CZ2 3.97Å; A73-W75 PolarHBondContact O-N 3.4Å; W75-Q78 WeakPolarHBondContact O-CG 3.3Å; W75-Y195 HydrophobicContact CE3-CD1 4.19Å; W75-Y195 HydrophobicContact CE3-CG 4.44Å; W75-Y195 HydrophobicContact CH2-CG 4.15Å; W75-Y195 AromaticContact CZ3-CD1 3.57Å; W75-Y195 HydrophobicContact CZ3-CD1 3.57Å; W75-Y195 HydrophobicContact CZ3-CD2 4.28Å; W75-Y195 HydrophobicContact CZ3-CE1 4.28Å; W75-Y195 AromaticContact CZ3-CG 3.57Å; W75-Y195 HydrophobicContact CZ3-CG 3.57Å; W75-N198 HydrophobicContact CB-CB 4.38Å; W75-T202 VanDerWaalsContact CD1-OG1 3.23Å; W75-L203 HydrophobicContact CD2-CD1 4.44Å; W75-L203 HydrophobicContact CH2-CD1 4.41Å; W75-L203 HydrophobicContact CZ2-CD1 3.87Å; W75-L203 HydrophobicContact CZ2-CD2 4.14Å; W75-L203 HydrophobicContact CZ2-CG 4.42Å
76	V	97.2	Very high	96.8	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-94.9	-16.7	172.1	73	0	0	0	0	112.1	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.39Å; F57-V76 HydrophobicContact CD2-CB 4.39Å; F57-V76 HydrophobicContact CD2-CG2 4.11Å; F57-V76 VanDerWaalsContact O-CG1 3.27Å; F57-V76 WeakPolarHBondContact O-CG1 3.26Å; P71-V76 HydrophobicContact CB-CG1 3.79Å; A73-V76 WeakPolarHBondContact O-CG1 3.45Å; A73-V76 PolarHBondContact O-N 3.1Å; P74-V76 PolarHBondContact O-N 2.95Å; V76-Q78 PolarHBondContact O-N 2.97Å; V76-E79 HydrophobicContact CG2-CG 3.9Å; V76-E79 VanDerWaalsContact O-CB 3.3Å; V76-E79 WeakPolarHBondContact O-CB 3.37Å; V76-E79 WeakPolarHBondContact O-CG 3.38Å; V76-E79 PolarHBondContact O-N 2.95Å; V76-Y83 HydrophobicContact CG2-CE1 4.08Å; V76-W84 HydrophobicContact CG1-CH2 4.06Å; V76-W84 HydrophobicContact CG1-CZ2 4.28Å; V76-W84 HydrophobicContact CG2-CH2 3.97Å; V76-W84 HydrophobicContact CG2-CZ2 4.02Å; V76-W84 WeakPolarHBondContact O-CZ2 3.29Å; V76-Y195 HydrophobicContact CG2-CE1 4.39Å
77	E	95.4	Very high	96.9	Very high	123 Å²	123	64.2 Å²	64.2	58%	0.575	32%	0.321	S	S	*	.	H	α-helix	trans	-63.4	-26.6	180	-65.8	-177.8	-177.2	0	0	112.7	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.7Å; P71-E77 HydrophobicContact CG-CG 3.95Å; P74-E77 WeakPolarHBondContact O-CB 3.41Å; P74-E77 PolarHBondContact O-N 3.39Å; P74-E77 VanDerWaalsContact O-N 3.09Å; E77-E79 PolarHBondContact O-N 3.45Å
78	Q	94.5	Very high	97	Very high	123 Å²	123	63 Å²	63	58%	0.575	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-11.1	175.4	67.1	-178.9	15.7	0	0	114.1	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.3Å; V76-Q78 PolarHBondContact O-N 2.97Å; Q78-N198 VanDerWaalsContact NE2-CB 3.3Å; Q78-N198 PolarHBondContact NE2-ND2 2.9Å; Q78-N198 PolarHBondContact NE2-OD1 3.19Å
79	E	96.6	Very high	97	Very high	11 Å²	11	60.8 Å²	60.8	5%	0.051	31%	0.309	C	S	.	.	S	Bend	trans	-66	135.7	174.9	-66.1	-62.6	162.3	0	0	111	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.9Å; V76-E79 VanDerWaalsContact O-CB 3.3Å; V76-E79 WeakPolarHBondContact O-CB 3.37Å; V76-E79 WeakPolarHBondContact O-CG 3.38Å; V76-E79 PolarHBondContact O-N 2.95Å; E77-E79 PolarHBondContact O-N 3.45Å; E79-Y83 HydrophobicContact CB-CD1 3.49Å; E79-Y83 VanDerWaalsContact CB-CD1 3.49Å; E79-Y83 HydrophobicContact CB-CD2 4.47Å; E79-Y83 HydrophobicContact CB-CE1 4.08Å; E79-Y83 HydrophobicContact CB-CG 3.73Å; E79-Y83 HydrophobicContact CG-CD1 4.03Å; E79-Y83 HydrophobicContact CG-CD2 4.43Å; E79-Y83 HydrophobicContact CG-CE1 4.22Å; E79-Y83 HydrophobicContact CG-CG 4.15Å; E79-W84 PolarHBondContact O-NE1 2.94Å; E79-R194 VanDerWaalsContact CD-NH2 3.34Å; E79-R194 IonicContact OE1-CZ 3.51Å; E79-R194 IonicContact OE1-NE 3.11Å; E79-R194 PolarHBondContact OE1-NE 3.18Å; E79-R194 IonicContact OE1-NH2 2.73Å; E79-R194 PolarHBondContact OE1-NH2 3.04Å; E79-R194 VanDerWaalsContact OE1-NH2 3.16Å; E79-R194 IonicContact OE2-CZ 3.45Å; E79-R194 IonicContact OE2-NE 3.71Å; E79-R194 IonicContact OE2-NH2 3.44Å; E79-R194 PolarHBondContact OE2-NH2 3.44Å; E79-N198 PolarHBondContact OE1-ND2 2.92Å
80	G	95.8	Very high	97	Very high	35 Å²	35	64 Å²	64	36%	0.361	32%	0.322	S	S	.	.			trans	-70.5	169.8	-174.3	0	0	0	0	0	114.4	E82 Y83 W84	G80-E82 VanDerWaalsContact C-N 3.25Å; G80-E82 PolarHBondContact O-N 3.4Å; G80-Y83 WeakPolarHBondContact O-CB 3.34Å; G80-Y83 PolarHBondContact O-N 3.33Å; G80-W84 PolarHBondContact O-N 2.84Å
81	P	96.7	Very high	97.1	Very high	99 Å²	99	62.1 Å²	62.1	64%	0.643	31%	0.312	S	S	*	.	H	α-helix	trans	-57.6	-35.6	-178.2	22.6	-33.5	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.9Å; P81-W84 PolarHBondContact O-N 3.48Å; P81-W84 VanDerWaalsContact O-N 3.16Å; P81-D85 WeakPolarHBondContact O-CB 3.42Å; P81-D85 PolarHBondContact O-N 3.01Å
82	E	97.4	Very high	97.1	Very high	161 Å²	161	63.9 Å²	63.9	75%	0.752	32%	0.315	S	S	*	.	H	α-helix	trans	-60.7	-34.5	177.7	-63.1	-178.5	179.3	0	0	113.1	G80 R86	G80-E82 VanDerWaalsContact C-N 3.25Å; G80-E82 PolarHBondContact O-N 3.4Å; E82-R86 WeakPolarHBondContact O-CB 3.45Å; E82-R86 PolarHBondContact O-N 3.28Å; E82-R86 VanDerWaalsContact O-N 3.07Å
83	Y	97.5	Very high	97.1	Very high	7 Å²	7	66 Å²	66	3%	0.027	32%	0.323	C	S	.	.	H	α-helix	trans	-65.2	-52.2	174.3	168.6	-91.8	0	0	0	109.9	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.08Å; E79-Y83 HydrophobicContact CB-CD1 3.49Å; E79-Y83 VanDerWaalsContact CB-CD1 3.49Å; E79-Y83 HydrophobicContact CB-CD2 4.47Å; E79-Y83 HydrophobicContact CB-CE1 4.08Å; E79-Y83 HydrophobicContact CB-CG 3.73Å; E79-Y83 HydrophobicContact CG-CD1 4.03Å; E79-Y83 HydrophobicContact CG-CD2 4.43Å; E79-Y83 HydrophobicContact CG-CE1 4.22Å; E79-Y83 HydrophobicContact CG-CG 4.15Å; G80-Y83 WeakPolarHBondContact O-CB 3.34Å; G80-Y83 PolarHBondContact O-N 3.33Å; P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.9Å; Y83-D85 PolarHBondContact O-N 3.39Å; Y83-R86 PolarHBondContact O-N 3.43Å; Y83-E87 HydrophobicContact CD1-CG 4.36Å; Y83-E87 HydrophobicContact CD2-CG 4.18Å; Y83-E87 HydrophobicContact CE1-CG 3.98Å; Y83-E87 HydrophobicContact CE2-CG 3.74Å; Y83-E87 HydrophobicContact CG-CG 4.45Å; Y83-E87 WeakPolarHBondContact O-CG 3.45Å; Y83-E87 PolarHBondContact O-N 2.91Å; Y83-W191 AromaticContact CD2-CH2 3.51Å; Y83-W191 HydrophobicContact CD2-CH2 3.51Å; Y83-W191 HydrophobicContact CD2-CZ2 4.22Å; Y83-W191 AromaticContact CD2-CZ3 3.79Å; Y83-W191 HydrophobicContact CD2-CZ3 3.79Å; Y83-W191 HydrophobicContact CE2-CE3 4.27Å; Y83-W191 AromaticContact CE2-CH2 3.85Å; Y83-W191 HydrophobicContact CE2-CH2 3.85Å; Y83-W191 HydrophobicContact CE2-CZ2 4.46Å; Y83-W191 AromaticContact CE2-CZ3 3.73Å; Y83-W191 HydrophobicContact CE2-CZ3 3.73Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.5Å; Y83-Y195 PolarHBondContact OH-OH 3.32Å
84	W	98	Very high	97.2	Very high	38 Å²	38	67.7 Å²	67.7	14%	0.144	33%	0.33	C	S	.	.	H	α-helix	trans	-64.2	-38.3	-177.6	-67.6	112.2	0	0	0	113.1	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 3.93Å; V58-W84 HydrophobicContact CG1-CZ3 3.86Å; P71-W84 HydrophobicContact CB-CH2 3.62Å; P71-W84 HydrophobicContact CB-CZ2 3.79Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.24Å; V76-W84 HydrophobicContact CG1-CH2 4.06Å; V76-W84 HydrophobicContact CG1-CZ2 4.28Å; V76-W84 HydrophobicContact CG2-CH2 3.97Å; V76-W84 HydrophobicContact CG2-CZ2 4.02Å; V76-W84 WeakPolarHBondContact O-CZ2 3.29Å; E79-W84 PolarHBondContact O-NE1 2.94Å; G80-W84 PolarHBondContact O-N 2.84Å; P81-W84 PolarHBondContact O-N 3.48Å; P81-W84 VanDerWaalsContact O-N 3.16Å; W84-T88 WeakPolarHBondContact O-CB 3.32Å; W84-T88 PolarHBondContact O-N 3.48Å; W84-T88 PolarHBondContact O-OG1 3.32Å
85	D	97.9	Very high	97.3	Very high	107 Å²	107	63.9 Å²	63.9	57%	0.572	31%	0.307	S	S	*	.	H	α-helix	trans	-64.1	-47.3	174.3	-75.8	-22	0	0	0	110.7	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.42Å; P81-D85 PolarHBondContact O-N 3.01Å; Y83-D85 PolarHBondContact O-N 3.39Å; D85-T88 PolarHBondContact O-N 2.9Å; D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.37Å; D85-Q89 PolarHBondContact O-N 3.49Å
86	R	97.6	Very high	97.4	Very high	100 Å²	100	68.5 Å²	68.5	38%	0.377	33%	0.329	S	S	.	.	H	α-helix	trans	-61.5	-47.2	178.3	-177.8	179.1	63.2	-132.2	-3.1	112	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.45Å; E82-R86 PolarHBondContact O-N 3.28Å; E82-R86 VanDerWaalsContact O-N 3.07Å; Y83-R86 PolarHBondContact O-N 3.43Å; R86-Q89 PolarHBondContact O-N 2.9Å; R86-K90 WeakPolarHBondContact O-CG 2.93Å; R86-K90 PolarHBondContact O-N 3.42Å
87	E	97.6	Very high	97.4	Very high	10 Å²	10	72 Å²	72	5%	0.047	35%	0.351	C	S	.	.	H	α-helix	trans	-65.1	-41.9	178.7	-65.4	-43.8	117.1	0	0	111.3	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.36Å; Y83-E87 HydrophobicContact CD2-CG 4.18Å; Y83-E87 HydrophobicContact CE1-CG 3.98Å; Y83-E87 HydrophobicContact CE2-CG 3.74Å; Y83-E87 HydrophobicContact CG-CG 4.45Å; Y83-E87 WeakPolarHBondContact O-CG 3.45Å; Y83-E87 PolarHBondContact O-N 2.91Å; E87-Q89 VanDerWaalsContact C-N 3.31Å; E87-Q89 PolarHBondContact O-N 3.34Å; E87-K90 WeakPolarHBondContact O-CB 3.38Å; E87-K90 PolarHBondContact O-N 2.84Å; E87-K90 VanDerWaalsContact O-N 3.11Å; E87-K90 IonicContact OE1-NZ 3.43Å; E87-K90 PolarHBondContact OE1-NZ 3.48Å; E87-K90 WeakPolarHBondContact OE2-CD 3.36Å; E87-K90 IonicContact OE2-NZ 3.13Å; E87-K90 PolarHBondContact OE2-NZ 3.46Å; E87-Y91 HydrophobicContact CB-CE2 4.13Å; E87-Y91 WeakPolarHBondContact O-CD2 3.4Å; E87-Y91 PolarHBondContact O-N 2.87Å
88	T	98.4	Very high	97.6	Very high	11 Å²	11	66.3 Å²	66.3	7%	0.067	32%	0.324	C	S	.	.	H	α-helix	trans	-57.3	-43.7	173.6	-64.1	0	0	0	0	112	R68 G69 W84 D85 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.2Å; G69-T88 PolarHBondContact N-OG1 2.88Å; W84-T88 WeakPolarHBondContact O-CB 3.32Å; W84-T88 PolarHBondContact O-N 3.48Å; W84-T88 PolarHBondContact O-OG1 3.32Å; D85-T88 PolarHBondContact O-N 2.9Å; T88-Y91 PolarHBondContact O-N 3.42Å; T88-K92 HydrophobicContact CG2-CD 4.16Å; T88-K92 WeakPolarHBondContact O-CG 3.03Å; T88-K92 PolarHBondContact O-N 2.89Å
89	Q	98.3	Very high	97.7	Very high	106 Å²	106	64.1 Å²	64.1	50%	0.495	31%	0.311	S	S	.	.	H	α-helix	trans	-68.5	-32.9	177.3	-67.9	-58	-29.6	0	0	113	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.37Å; D85-Q89 PolarHBondContact O-N 3.49Å; R86-Q89 PolarHBondContact O-N 2.9Å; E87-Q89 VanDerWaalsContact C-N 3.31Å; E87-Q89 PolarHBondContact O-N 3.34Å; Q89-R93 WeakPolarHBondContact O-CB 3.38Å; Q89-R93 PolarHBondContact O-N 3.48Å
90	K	97.6	Very high	97.7	Very high	74 Å²	74	67.2 Å²	67.2	32%	0.322	33%	0.33	S	S	.	.	H	α-helix	trans	-64.4	-48.3	172.5	-73.3	172.7	179.1	172.5	0	110.9	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 2.93Å; R86-K90 PolarHBondContact O-N 3.42Å; E87-K90 WeakPolarHBondContact O-CB 3.38Å; E87-K90 PolarHBondContact O-N 2.84Å; E87-K90 VanDerWaalsContact O-N 3.11Å; E87-K90 IonicContact OE1-NZ 3.43Å; E87-K90 PolarHBondContact OE1-NZ 3.48Å; E87-K90 WeakPolarHBondContact OE2-CD 3.36Å; E87-K90 IonicContact OE2-NZ 3.13Å; E87-K90 PolarHBondContact OE2-NZ 3.46Å; K90-K92 PolarHBondContact O-N 3.3Å; K90-R93 PolarHBondContact O-N 2.87Å; K90-Q94 PolarHBondContact O-N 3.27Å
91	Y	98.4	Very high	97.8	Very high	16 Å²	16	67.3 Å²	67.3	6%	0.063	33%	0.325	C	S	.	.	H	α-helix	trans	-60.1	-44	177	-65.3	-51.9	0	0	0	112.3	F46 A48 V58 F60 E87 T88 R93 Q94 A95	F46-Y91 HydrophobicContact CE1-CD1 4.22Å; A48-Y91 HydrophobicContact CB-CD1 3.62Å; A48-Y91 HydrophobicContact CB-CE1 3.55Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.46Å; F60-Y91 HydrophobicContact CB-CD1 4.14Å; F60-Y91 HydrophobicContact CB-CD2 3.62Å; F60-Y91 HydrophobicContact CB-CE1 4.5Å; F60-Y91 HydrophobicContact CB-CE2 4.02Å; F60-Y91 HydrophobicContact CB-CG 3.7Å; F60-Y91 HydrophobicContact CD1-CG 4.36Å; F60-Y91 AromaticContact CD2-CD2 3.71Å; F60-Y91 HydrophobicContact CD2-CD2 3.71Å; F60-Y91 AromaticContact CD2-CG 3.89Å; F60-Y91 HydrophobicContact CD2-CG 3.89Å; F60-Y91 HydrophobicContact CG-CD1 4.48Å; F60-Y91 AromaticContact CG-CD2 3.84Å; F60-Y91 HydrophobicContact CG-CD2 3.84Å; F60-Y91 AromaticContact CG-CG 3.73Å; F60-Y91 HydrophobicContact CG-CG 3.73Å; E87-Y91 HydrophobicContact CB-CE2 4.13Å; E87-Y91 WeakPolarHBondContact O-CD2 3.4Å; E87-Y91 PolarHBondContact O-N 2.87Å; T88-Y91 PolarHBondContact O-N 3.42Å; Y91-R93 PolarHBondContact O-N 3.13Å; Y91-Q94 PolarHBondContact O-N 2.96Å; Y91-A95 WeakPolarHBondContact O-CB 3.47Å; Y91-A95 PolarHBondContact O-N 3.21Å
92	K	98.3	Very high	97.8	Very high	85 Å²	85	63 Å²	63	37%	0.37	30%	0.297	S	S	.	.	H	α-helix	trans	-62.4	-40.9	176.7	-73.8	178.9	178.9	177.9	0	112.7	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.34Å; F60-K92 HydrophobicContact CZ-CG 4.1Å; P67-K92 WeakPolarHBondContact O-CE 3.35Å; P67-K92 PolarHBondContact O-NZ 3.33Å; T88-K92 HydrophobicContact CG2-CD 4.16Å; T88-K92 WeakPolarHBondContact O-CG 3.03Å; T88-K92 PolarHBondContact O-N 2.89Å; K90-K92 PolarHBondContact O-N 3.3Å; K92-Q96 WeakPolarHBondContact O-CG 3.2Å; K92-Q96 PolarHBondContact O-N 2.91Å
93	R	98.2	Very high	97.8	Very high	165 Å²	165	62.3 Å²	62.3	62%	0.623	29%	0.288	S	S	*	.	H	α-helix	trans	-63.9	-45.2	173.3	-90.3	-173.3	-70	176.9	-3.1	111.8	Q89 K90 Y91 A95 Q96 T97	Q89-R93 WeakPolarHBondContact O-CB 3.38Å; Q89-R93 PolarHBondContact O-N 3.48Å; K90-R93 PolarHBondContact O-N 2.87Å; Y91-R93 PolarHBondContact O-N 3.13Å; R93-A95 VanDerWaalsContact C-N 3.34Å; R93-A95 PolarHBondContact O-N 3.2Å; R93-Q96 PolarHBondContact O-N 3.21Å; R93-Q96 VanDerWaalsContact O-N 3.17Å; R93-T97 PolarHBondContact O-N 3.5Å; R93-T97 PolarHBondContact O-OG1 3.32Å
94	Q	98.3	Very high	97.7	Very high	39 Å²	39	65.4 Å²	65.4	18%	0.182	31%	0.305	C	S	.	.	H	α-helix	trans	-62	-42	179.1	-169.2	60.8	45.5	0	0	111.7	F46 K90 Y91 Q96 T97 D98 W121	F46-Q94 HydrophobicContact CE2-CB 4.1Å; F46-Q94 HydrophobicContact CE2-CG 3.69Å; F46-Q94 HydrophobicContact CZ-CB 3.88Å; F46-Q94 HydrophobicContact CZ-CG 3.81Å; K90-Q94 PolarHBondContact O-N 3.27Å; Y91-Q94 PolarHBondContact O-N 2.96Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 3.11Å; Q94-T97 WeakPolarHBondContact O-CB 3.33Å; Q94-T97 PolarHBondContact O-N 3.33Å; Q94-T97 VanDerWaalsContact O-N 3.11Å; Q94-D98 PolarHBondContact NE2-OD1 2.79Å; Q94-D98 PolarHBondContact O-N 2.99Å; Q94-W121 VanDerWaalsContact CD-CZ3 3.42Å; Q94-W121 HydrophobicContact CG-CE3 4.13Å; Q94-W121 HydrophobicContact CG-CZ3 3.98Å; Q94-W121 VanDerWaalsContact OE1-CZ3 3.24Å
95	A	98.1	Very high	97.7	Very high	19 Å²	19	64 Å²	64	16%	0.157	30%	0.3	C	S	.	.	H	α-helix	trans	-57.7	-39.1	175.3	0	0	0	0	0	112.7	F46 Y91 R93 R99	F46-A95 HydrophobicContact CB-CB 3.63Å; F46-A95 HydrophobicContact CD1-CB 3.86Å; F46-A95 HydrophobicContact CD2-CB 4Å; F46-A95 HydrophobicContact CG-CB 3.56Å; Y91-A95 WeakPolarHBondContact O-CB 3.47Å; Y91-A95 PolarHBondContact O-N 3.21Å; R93-A95 VanDerWaalsContact C-N 3.34Å; R93-A95 PolarHBondContact O-N 3.2Å; A95-R99 WeakPolarHBondContact O-CB 3.5Å; A95-R99 PolarHBondContact O-N 2.8Å
96	Q	97.8	Very high	97.6	Very high	110 Å²	110	61.7 Å²	61.7	51%	0.514	28%	0.283	S	S	.	.	H	α-helix	trans	-70.3	-40.3	174.9	-65.2	-56.5	-41.3	0	0	112.3	K92 R93 Q94 R99 V100	K92-Q96 WeakPolarHBondContact O-CG 3.2Å; K92-Q96 PolarHBondContact O-N 2.91Å; R93-Q96 PolarHBondContact O-N 3.21Å; R93-Q96 VanDerWaalsContact O-N 3.17Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 3.11Å; Q96-R99 WeakPolarHBondContact O-CB 3.09Å; Q96-R99 PolarHBondContact O-N 3.02Å; Q96-V100 PolarHBondContact O-N 2.84Å
97	T	97.8	Very high	97.6	Very high	73 Å²	73	59 Å²	59	45%	0.448	29%	0.286	S	S	.	.	H	α-helix	trans	-59.2	-49.4	173.9	-61.2	0	0	0	0	110.8	R93 Q94 R99 V100 S101	R93-T97 PolarHBondContact O-N 3.5Å; R93-T97 PolarHBondContact O-OG1 3.32Å; Q94-T97 WeakPolarHBondContact O-CB 3.33Å; Q94-T97 PolarHBondContact O-N 3.33Å; Q94-T97 VanDerWaalsContact O-N 3.11Å; T97-R99 VanDerWaalsContact C-N 3.31Å; T97-R99 PolarHBondContact O-N 3.38Å; T97-V100 PolarHBondContact O-N 2.89Å; T97-V100 VanDerWaalsContact O-N 3.09Å; T97-S101 PolarHBondContact O-N 3Å; T97-S101 PolarHBondContact O-OG 3.17Å; T97-S101 VanDerWaalsContact O-OG 3.11Å
98	D	97.9	Very high	97.6	Very high	4 Å²	4	61.2 Å²	61.2	2%	0.021	30%	0.295	C	S	.	.	H	α-helix	trans	-63.1	-37.4	-179.4	-77.5	13.2	0	0	0	112.3	S35 F46 Q94 V100 S101 L102 L119	S35-D98 WeakPolarHBondContact CB-OD2 3.37Å; S35-D98 WeakPolarHBondContact OG-CB 3.5Å; S35-D98 VanDerWaalsContact OG-CG 3.32Å; S35-D98 PolarHBondContact OG-OD2 2.03Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.36Å; Q94-D98 PolarHBondContact NE2-OD1 2.79Å; Q94-D98 PolarHBondContact O-N 2.99Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 3.5Å; D98-S101 PolarHBondContact O-N 2.99Å; D98-L102 WeakPolarHBondContact O-CB 3.49Å; D98-L102 WeakPolarHBondContact O-CG 3.43Å; D98-L102 PolarHBondContact O-N 3.5Å; D98-L119 HydrophobicContact CB-CD2 4.19Å
99	R	97.1	Very high	97.6	Very high	76 Å²	76	63.9 Å²	63.9	29%	0.287	30%	0.304	S	S	.	.	H	α-helix	trans	-56.9	-45.9	172.7	176.9	-166.5	174	171.8	12.5	111.6	E43 P44 A95 Q96 T97 R103	E43-R99 IonicContact OE1-CZ 3.59Å; E43-R99 IonicContact OE1-NE 3.82Å; E43-R99 IonicContact OE1-NH1 2.77Å; E43-R99 PolarHBondContact OE1-NH1 2.97Å; E43-R99 IonicContact OE1-NH2 3.45Å; E43-R99 PolarHBondContact OE1-NH2 2.85Å; E43-R99 WeakPolarHBondContact OE2-CD 3.49Å; E43-R99 IonicContact OE2-CZ 3.62Å; E43-R99 IonicContact OE2-NE 3.15Å; E43-R99 PolarHBondContact OE2-NE 3.25Å; E43-R99 IonicContact OE2-NH1 3.32Å; E43-R99 PolarHBondContact OE2-NH1 2.81Å; E43-R99 IonicContact OE2-NH2 2.7Å; E43-R99 PolarHBondContact OE2-NH2 3.38Å; E43-R99 VanDerWaalsContact OE2-NH2 3.14Å; P44-R99 HydrophobicContact CG-CB 4.38Å; P44-R99 HydrophobicContact CG-CG 4.23Å; A95-R99 WeakPolarHBondContact O-CB 3.5Å; A95-R99 PolarHBondContact O-N 2.8Å; Q96-R99 WeakPolarHBondContact O-CB 3.09Å; Q96-R99 PolarHBondContact O-N 3.02Å; T97-R99 VanDerWaalsContact C-N 3.31Å; T97-R99 PolarHBondContact O-N 3.38Å; R99-R103 PolarHBondContact O-N 3.07Å
100	V	97.1	Very high	97.5	Very high	76 Å²	76	66 Å²	66	46%	0.461	32%	0.319	S	S	.	.	H	α-helix	trans	-68.5	-42.1	177.5	175.8	0	0	0	0	110.4	Q96 T97 D98 L102 R103 N104	Q96-V100 PolarHBondContact O-N 2.84Å; T97-V100 PolarHBondContact O-N 2.89Å; T97-V100 VanDerWaalsContact O-N 3.09Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 3.5Å; V100-L102 PolarHBondContact O-N 2.65Å; V100-R103 WeakPolarHBondContact O-CB 3.38Å; V100-R103 PolarHBondContact O-N 3.23Å; V100-N104 PolarHBondContact O-N 3.09Å; V100-N104 PolarHBondContact O-ND2 3.09Å
101	S	97.8	Very high	97.4	Very high	37 Å²	37	65.4 Å²	65.4	26%	0.259	32%	0.317	S	S	.	.	H	α-helix	trans	-59.3	-46	177	-64.7	0	0	0	0	112.1	T97 D98 R103 N104 L105	T97-S101 PolarHBondContact O-N 3Å; T97-S101 PolarHBondContact O-OG 3.17Å; T97-S101 VanDerWaalsContact O-OG 3.11Å; D98-S101 PolarHBondContact O-N 2.99Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 3.02Å; S101-N104 PolarHBondContact O-N 3.49Å; S101-N104 VanDerWaalsContact O-N 3.1Å; S101-L105 WeakPolarHBondContact O-CB 3.47Å; S101-L105 VanDerWaalsContact O-CG 3.24Å; S101-L105 WeakPolarHBondContact O-CG 3.46Å; S101-L105 PolarHBondContact O-N 2.94Å
102	L	97.8	Very high	97.2	Very high	9 Å²	9	68.3 Å²	68.3	5%	0.047	34%	0.34	C	S	.	.	H	α-helix	trans	-57.4	-40.5	176.1	-78.6	168.5	0	0	0	112.2	P44 D98 V100 R106 H117 L119 Y142	P44-L102 HydrophobicContact CB-CD1 3.71Å; P44-L102 HydrophobicContact CG-CD1 3.82Å; D98-L102 WeakPolarHBondContact O-CB 3.49Å; D98-L102 WeakPolarHBondContact O-CG 3.43Å; D98-L102 PolarHBondContact O-N 3.5Å; V100-L102 PolarHBondContact O-N 2.65Å; L102-R106 WeakPolarHBondContact O-CB 3.47Å; L102-R106 PolarHBondContact O-N 3.44Å; L102-R106 VanDerWaalsContact O-N 3.12Å; L102-H117 HydrophobicContact CD2-CB 4.27Å; L102-L119 HydrophobicContact CD2-CB 3.71Å; L102-L119 HydrophobicContact CG-CB 4.13Å; L102-Y142 HydrophobicContact CD2-CE2 4.01Å
103	R	95.6	Very high	96.8	Very high	147 Å²	147	70.7 Å²	70.7	56%	0.555	35%	0.352	S	S	*	.	H	α-helix	trans	-65.9	-42.9	175.4	-174.4	-175.1	-64.9	166.2	-0.5	111.8	R99 V100 S101 G107	R99-R103 PolarHBondContact O-N 3.07Å; V100-R103 WeakPolarHBondContact O-CB 3.38Å; V100-R103 PolarHBondContact O-N 3.23Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 3.02Å; R103-G107 PolarHBondContact O-N 2.94Å
104	N	96.7	Very high	96.4	Very high	72 Å²	72	67 Å²	67	39%	0.385	36%	0.357	S	S	.	.	H	α-helix	trans	-66.5	-46.6	179.6	-69.3	-20.9	0	0	0	111.6	V100 S101 R106 G107 Y108	V100-N104 PolarHBondContact O-N 3.09Å; V100-N104 PolarHBondContact O-ND2 3.09Å; S101-N104 PolarHBondContact O-N 3.49Å; S101-N104 VanDerWaalsContact O-N 3.1Å; N104-R106 PolarHBondContact O-N 2.74Å; N104-G107 CarbonylContact O-C 3.49Å; N104-G107 WeakPolarHBondContact O-CA 3.39Å; N104-G107 PolarHBondContact O-N 2.89Å; N104-Y108 WeakPolarHBondContact O-CD1 3.31Å; N104-Y108 PolarHBondContact O-N 3.36Å
105	L	97.9	Very high	96.1	Very high	8 Å²	8	66.2 Å²	66.2	4%	0.042	36%	0.359	C	S	.	.	H	α-helix	trans	-59.2	-47.4	179.2	-71.3	166.6	0	0	0	110.9	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.47Å; S101-L105 VanDerWaalsContact O-CG 3.24Å; S101-L105 WeakPolarHBondContact O-CG 3.46Å; S101-L105 PolarHBondContact O-N 2.94Å; L105-G107 PolarHBondContact O-N 2.89Å; L105-Y108 HydrophobicContact CD2-CD2 4.49Å; L105-Y108 PolarHBondContact O-N 2.94Å; L105-Y109 HydrophobicContact CD2-CE2 4.27Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.4Å; L105-Y109 PolarHBondContact O-N 3.02Å; L105-L119 HydrophobicContact CD1-CD1 3.88Å; L105-L119 HydrophobicContact CD1-CD2 4.3Å; L105-Y142 HydrophobicContact CB-CD1 4.37Å; L105-Y142 HydrophobicContact CB-CD2 4.23Å; L105-Y142 HydrophobicContact CB-CE1 4.01Å; L105-Y142 HydrophobicContact CB-CE2 3.88Å; L105-Y142 HydrophobicContact CB-CG 4.46Å; L105-Y142 HydrophobicContact CD1-CD2 3.62Å; L105-Y142 HydrophobicContact CD1-CE2 3.95Å; L105-Y142 HydrophobicContact CD1-CG 4.05Å; L105-Y142 HydrophobicContact CG-CD2 4.44Å; L105-Y147 HydrophobicContact CD2-CD1 4.39Å; L105-Y147 HydrophobicContact CD2-CD2 4.03Å; L105-Y147 HydrophobicContact CD2-CE1 3.82Å; L105-Y147 HydrophobicContact CD2-CE2 3.38Å; L105-Y147 HydrophobicContact CD2-CG 4.5Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.41Å
106	R	96.3	Very high	96	Very high	58 Å²	58	68.8 Å²	68.8	22%	0.219	38%	0.376	C	S	.	.	H	α-helix	trans	-53.2	-41.1	173.7	-172	-175.2	66.1	180	9.2	112.2	L102 N104 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.47Å; L102-R106 PolarHBondContact O-N 3.44Å; L102-R106 VanDerWaalsContact O-N 3.12Å; N104-R106 PolarHBondContact O-N 2.74Å; R106-N110 PolarHBondContact O-N 3.13Å; R106-N110 VanDerWaalsContact O-N 3.14Å; R106-Q111 HydrophobicContact CG-CB 3.78Å; R106-Q111 WeakPolarHBondContact CG-O 3.42Å; R106-Q111 PolarHBondContact O-N 3.2Å; R106-E113 IonicContact CZ-OE1 3.74Å; R106-E113 IonicContact NH1-OE1 2.62Å; R106-E113 IonicContact NH2-OE1 3.96Å; R106-E113 PolarHBondContact NH2-OE1 3.43Å
107	G	96.4	Very high	96.1	Very high	44 Å²	44	64.4 Å²	64.4	45%	0.454	36%	0.356	S	S	.	.	H	α-helix	trans	-66.5	-44.7	174.8	0	0	0	0	0	113.2	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.94Å; N104-G107 CarbonylContact O-C 3.49Å; N104-G107 WeakPolarHBondContact O-CA 3.39Å; N104-G107 PolarHBondContact O-N 2.89Å; L105-G107 PolarHBondContact O-N 2.89Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 3.28Å; G107-N110 PolarHBondContact O-N 3.32Å; G107-N110 PolarHBondContact O-OD1 3.48Å
108	Y	97.8	Very high	96.1	Very high	57 Å²	57	62.8 Å²	62.8	22%	0.224	35%	0.346	C	S	.	.	H	α-helix	trans	-62.3	-35.5	178.8	-63.7	-11.5	0	0	0	112.7	N104 L105 I166 K170	N104-Y108 WeakPolarHBondContact O-CD1 3.31Å; N104-Y108 PolarHBondContact O-N 3.36Å; L105-Y108 HydrophobicContact CD2-CD2 4.49Å; L105-Y108 PolarHBondContact O-N 2.94Å; Y108-I166 HydrophobicContact CD1-CD1 4.18Å; Y108-I166 HydrophobicContact CD2-CD1 4.45Å; Y108-I166 HydrophobicContact CE1-CD1 4.46Å; Y108-I166 HydrophobicContact CE1-CG2 4.14Å; Y108-I166 HydrophobicContact CE2-CB 4.19Å; Y108-I166 HydrophobicContact CE2-CG2 4.08Å; Y108-I166 HydrophobicContact CG-CD1 4.19Å; Y108-K170 PolarHBondContact OH-NZ 2.81Å
109	Y	97.7	Very high	96.1	Very high	66 Å²	66	63 Å²	63	26%	0.259	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	4	178.3	-69.5	-73	0	0	0	114	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.27Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.4Å; L105-Y109 PolarHBondContact O-N 3.02Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 3.28Å; Y109-Q111 PolarHBondContact O-N 3.2Å; Y109-Y142 AromaticContact CD2-CD1 3.72Å; Y109-Y142 HydrophobicContact CD2-CD1 3.72Å; Y109-Y142 AromaticContact CD2-CE1 3.51Å; Y109-Y142 HydrophobicContact CD2-CE1 3.51Å; Y109-Y142 AromaticContact CE2-CD1 3.5Å; Y109-Y142 HydrophobicContact CE2-CD1 3.5Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.5Å; Y109-Y142 AromaticContact CE2-CE1 3.82Å; Y109-Y142 HydrophobicContact CE2-CE1 3.82Å; Y109-Y142 HydrophobicContact CG-CE1 4.39Å; Y109-Y147 HydrophobicContact CE2-CD2 4.36Å; Y109-Y147 HydrophobicContact CE2-CE2 4.08Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.25Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.28Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.37Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 2.86Å; Y109-D161 PolarHBondContact OH-OD2 2.63Å; Y109-A163 HydrophobicContact CD1-CB 4.18Å; Y109-A163 HydrophobicContact CD2-CB 4.41Å; Y109-A163 HydrophobicContact CE1-CB 3.64Å; Y109-A163 HydrophobicContact CE2-CB 3.89Å; Y109-A163 VanDerWaalsContact CZ-CB 3.48Å
110	N	96.5	Very high	96.2	Very high	152 Å²	152	63.1 Å²	63.1	81%	0.813	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	39.3	-177.7	-57.5	-58.6	0	0	0	113.6	R106 G107	R106-N110 PolarHBondContact O-N 3.13Å; R106-N110 VanDerWaalsContact O-N 3.14Å; G107-N110 PolarHBondContact O-N 3.32Å; G107-N110 PolarHBondContact O-OD1 3.48Å
111	Q	96.6	Very high	96.3	Very high	60 Å²	60	60.4 Å²	60.4	28%	0.28	33%	0.332	S	S	.	.			trans	-88.5	152.7	-176.5	-70.8	165.8	-33	0	0	112.1	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.78Å; R106-Q111 WeakPolarHBondContact CG-O 3.42Å; R106-Q111 PolarHBondContact O-N 3.2Å; Y109-Q111 PolarHBondContact O-N 3.2Å; Q111-H117 PolarHBondContact NE2-CE1 2.59Å; Q111-H117 PolarHBondContact OE1-CE1 3.2Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.23Å; Q111-Y142 PolarHBondContact OE1-OH 3.34Å; Q111-D143 PolarHBondContact NE2-OD2 3.07Å
112	S	93.9	Very high	96.3	Very high	77 Å²	77	59.7 Å²	59.7	54%	0.538	33%	0.325	S	S	.	.			trans	-70.6	153.6	-178.8	79.8	0	0	0	0	112.9	A114 G115	S112-A114 PolarHBondContact O-N 3.38Å; S112-G115 PolarHBondContact O-N 3.47Å
113	E	89.4	Confident	96.4	Very high	136 Å²	136	60.7 Å²	60.7	64%	0.636	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-18.7	176.8	-55.8	-153.7	126.4	0	0	114.4	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.48Å; P39-E113 WeakPolarHBondContact CG-O 3.47Å; R106-E113 IonicContact CZ-OE1 3.74Å; R106-E113 IonicContact NH1-OE1 2.62Å; R106-E113 IonicContact NH2-OE1 3.96Å; R106-E113 PolarHBondContact NH2-OE1 3.43Å; E113-G115 VanDerWaalsContact C-N 3.31Å
114	A	90.4	Very high	96.5	Very high	87 Å²	87	53.7 Å²	53.7	72%	0.719	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-14.6	-179.5	0	0	0	0	0	113.1	S112	S112-A114 PolarHBondContact O-N 3.38Å
115	G	92.3	Very high	96.6	Very high	22 Å²	22	50.2 Å²	50.2	23%	0.227	28%	0.284	C	S	.	.			trans	-76.1	133.9	180	0	0	0	0	0	112.7	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.17Å; S112-G115 PolarHBondContact O-N 3.47Å; E113-G115 VanDerWaalsContact C-N 3.31Å; G115-H117 PolarHBondContact O-CD2 3.33Å
116	S	96.5	Very high	96.6	Very high	74 Å²	74	50.9 Å²	50.9	52%	0.517	29%	0.288	S	S	.	.			trans	-79.2	136.3	163.9	178.8	0	0	0	0	109.2	S37	S37-S116 PolarHBondContact O-OG 2.9Å
117	H	98	Very high	96.6	Very high	17 Å²	17	48.3 Å²	48.3	8%	0.079	28%	0.278	C	S	.	.			trans	-134.7	149	-175.9	-64.9	-73.7	0	0	0	110.5	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.42Å; S37-H117 PolarHBondContact N-O 2.93Å; S37-H117 PolarHBondContact OG-N 2.77Å; S37-H117 PolarHBondContact OG-O 3.27Å; L102-H117 HydrophobicContact CD2-CB 4.27Å; Q111-H117 PolarHBondContact NE2-CE1 2.59Å; Q111-H117 PolarHBondContact OE1-CE1 3.2Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.23Å; G115-H117 PolarHBondContact O-CD2 3.33Å; H117-Y142 HydrophobicContact CB-CE2 3.81Å; H117-Y142 WeakPolarHBondContact CB-OH 3.36Å; H117-Y142 AromaticContact CG-CZ 4Å; H117-Y142 AromaticContact ND1-CZ 3.9Å; H117-Y142 PolarHBondContact ND1-OH 2.91Å; H117-D143 WeakPolarHBondContact CA-OD1 3.37Å; H117-D143 WeakPolarHBondContact CB-OD1 3.28Å; H117-D143 IonicContact CE1-OD2 2.73Å; H117-D143 IonicContact CG-OD1 2.68Å; H117-D143 IonicContact CG-OD2 3.16Å; H117-D143 IonicContact ND1-OD1 2.76Å; H117-D143 IonicContact ND1-OD2 3.71Å; H117-D143 PolarHBondContact ND1-OD2 3.46Å
118	T	98.6	Very high	96.5	Very high	39 Å²	39	46.6 Å²	46.6	24%	0.239	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127.4	-176.7	-53.9	0	0	0	0	110.5	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.81Å; S35-T118 CarbonylContact O-C 3.58Å; S35-T118 WeakPolarHBondContact O-CA 3.46Å; V36-T118 HydrophobicContact CG2-CG2 4.21Å; T118-Q120 HydrophobicContact CG2-CG 3.97Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 3.23Å; T118-Y142 VanDerWaalsContact O-CD2 3.28Å; T118-Y142 WeakPolarHBondContact O-CD2 3.12Å; T118-D143 PolarHBondContact N-OD1 2.88Å; T118-D143 PolarHBondContact O-N 2.8Å
119	L	98.8	Very high	96	Very high	10 Å²	10	48.2 Å²	48.2	5%	0.052	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.4	169.2	174.9	62.6	0	0	0	108.3	T34 S35 D98 L102 L105 A141	T34-L119 WeakPolarHBondContact CA-O 3.43Å; S35-L119 PolarHBondContact N-O 3.44Å; S35-L119 PolarHBondContact O-N 3.19Å; D98-L119 HydrophobicContact CB-CD2 4.19Å; L102-L119 HydrophobicContact CD2-CB 3.71Å; L102-L119 HydrophobicContact CG-CB 4.13Å; L105-L119 HydrophobicContact CD1-CD1 3.88Å; L105-L119 HydrophobicContact CD1-CD2 4.3Å; L119-A141 WeakPolarHBondContact CD1-O 3.38Å
120	Q	98.8	Very high	95.6	Very high	78 Å²	78	50 Å²	50	36%	0.364	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	143.3	176.8	-62.3	172.7	-87.6	0	0	109.2	S33 T34 T118 S140 A141	S33-Q120 WeakPolarHBondContact O-CA 3.39Å; T34-Q120 HydrophobicContact CG2-CG 4.11Å; T118-Q120 HydrophobicContact CG2-CG 3.97Å; Q120-S140 CarbonylContact O-C 3.59Å; Q120-S140 WeakPolarHBondContact O-CA 3.35Å; Q120-A141 HydrophobicContact CB-CB 4.36Å; Q120-A141 PolarHBondContact N-O 3.4Å; Q120-A141 PolarHBondContact O-N 3.17Å
121	W	98.6	Very high	95.2	Very high	19 Å²	19	43.6 Å²	43.6	7%	0.072	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	126	176.6	177.8	45.1	0	0	0	109.9	F32 S33 Q94 F123 D138 Q139 R180	F32-W121 CarbonylContact C-O 3.6Å; F32-W121 WeakPolarHBondContact CA-O 3.05Å; S33-W121 PolarHBondContact N-O 3.35Å; S33-W121 PolarHBondContact O-N 3.06Å; S33-W121 PolarHBondContact OG-O 2.91Å; Q94-W121 VanDerWaalsContact CD-CZ3 3.42Å; Q94-W121 HydrophobicContact CG-CE3 4.13Å; Q94-W121 HydrophobicContact CG-CZ3 3.98Å; Q94-W121 VanDerWaalsContact OE1-CZ3 3.24Å; W121-F123 AromaticContact CD2-CD1 3.8Å; W121-F123 HydrophobicContact CD2-CD1 3.8Å; W121-F123 HydrophobicContact CD2-CE1 4.27Å; W121-F123 AromaticContact CE2-CD1 3.5Å; W121-F123 VanDerWaalsContact CE2-CD1 3.5Å; W121-F123 AromaticContact CE3-CD1 3.93Å; W121-F123 HydrophobicContact CE3-CD1 3.93Å; W121-F123 AromaticContact CE3-CE1 3.91Å; W121-F123 HydrophobicContact CE3-CE1 3.91Å; W121-F123 AromaticContact CH2-CD1 3.46Å; W121-F123 HydrophobicContact CH2-CD1 3.46Å; W121-F123 VanDerWaalsContact CH2-CD1 3.46Å; W121-F123 AromaticContact CH2-CE1 3.42Å; W121-F123 HydrophobicContact CH2-CE1 3.42Å; W121-F123 VanDerWaalsContact CH2-CE1 3.42Å; W121-F123 HydrophobicContact CH2-CG 4.16Å; W121-F123 HydrophobicContact CH2-CZ 4.11Å; W121-F123 HydrophobicContact CZ2-CB 4.12Å; W121-F123 AromaticContact CZ2-CD1 3.33Å; W121-F123 HydrophobicContact CZ2-CD1 3.33Å; W121-F123 AromaticContact CZ2-CE1 3.84Å; W121-F123 HydrophobicContact CZ2-CE1 3.84Å; W121-F123 AromaticContact CZ2-CG 3.78Å; W121-F123 HydrophobicContact CZ2-CG 3.78Å; W121-F123 AromaticContact CZ3-CD1 3.77Å; W121-F123 HydrophobicContact CZ3-CD1 3.77Å; W121-F123 AromaticContact CZ3-CE1 3.48Å; W121-F123 HydrophobicContact CZ3-CE1 3.48Å; W121-F123 VanDerWaalsContact CZ3-CE1 3.48Å; W121-F123 HydrophobicContact CZ3-CZ 4.38Å; W121-D138 PolarHBondContact NE1-OD1 2.95Å; W121-Q139 WeakPolarHBondContact CA-O 3.49Å; W121-Q139 VanDerWaalsContact CD1-O 3.31Å; W121-R180 VanDerWaalsContact CH2-NH1 3.31Å; W121-R180 VanDerWaalsContact CZ2-CZ 3.49Å
122	M	98.7	Very high	95.1	Very high	22 Å²	22	49 Å²	49	11%	0.108	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131.5	174.8	-176.8	-79.5	-77.8	0	0	109.1	Y31 F32 Y137 D138 Q139	Y31-M122 VanDerWaalsContact O-CA 3.29Å; Y31-M122 WeakPolarHBondContact O-CA 2.76Å; F32-M122 HydrophobicContact CD1-CB 3.9Å; F32-M122 HydrophobicContact CD1-CG 3.57Å; F32-M122 HydrophobicContact CE1-CB 4.11Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CG-CG 4.36Å; F32-M122 HydrophobicContact CZ-CG 3.98Å; M122-Y137 HydrophobicContact CE-CD1 4.32Å; M122-Y137 HydrophobicContact CE-CG 4.32Å; M122-D138 WeakPolarHBondContact O-CA 3.34Å; M122-Q139 HydrophobicContact CB-CG 4.14Å; M122-Q139 HydrophobicContact CE-CG 3.76Å; M122-Q139 PolarHBondContact N-O 2.64Å; M122-Q139 PolarHBondContact O-N 3.49Å
123	F	98.6	Very high	95.2	Very high	29 Å²	29	47.7 Å²	47.7	13%	0.127	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	157.3	172	68.3	-85.2	0	0	0	110.7	Y31 W121 Y137 D138 Y183	Y31-F123 VanDerWaalsContact CB-CZ 3.5Å; Y31-F123 HydrophobicContact CD2-CD2 4.36Å; Y31-F123 AromaticContact CD2-CE2 3.63Å; Y31-F123 HydrophobicContact CD2-CE2 3.63Å; Y31-F123 AromaticContact CD2-CZ 3.82Å; Y31-F123 HydrophobicContact CD2-CZ 3.82Å; Y31-F123 HydrophobicContact CE2-CE2 4.39Å; Y31-F123 HydrophobicContact CG-CE1 4.31Å; Y31-F123 HydrophobicContact CG-CE2 4.04Å; Y31-F123 AromaticContact CG-CZ 3.74Å; Y31-F123 HydrophobicContact CG-CZ 3.74Å; Y31-F123 PolarHBondContact N-O 2.82Å; Y31-F123 PolarHBondContact O-N 2.98Å; Y31-F123 VanDerWaalsContact O-N 3.08Å; W121-F123 AromaticContact CD2-CD1 3.8Å; W121-F123 HydrophobicContact CD2-CD1 3.8Å; W121-F123 HydrophobicContact CD2-CE1 4.27Å; W121-F123 AromaticContact CE2-CD1 3.5Å; W121-F123 VanDerWaalsContact CE2-CD1 3.5Å; W121-F123 AromaticContact CE3-CD1 3.93Å; W121-F123 HydrophobicContact CE3-CD1 3.93Å; W121-F123 AromaticContact CE3-CE1 3.91Å; W121-F123 HydrophobicContact CE3-CE1 3.91Å; W121-F123 AromaticContact CH2-CD1 3.46Å; W121-F123 HydrophobicContact CH2-CD1 3.46Å; W121-F123 VanDerWaalsContact CH2-CD1 3.46Å; W121-F123 AromaticContact CH2-CE1 3.42Å; W121-F123 HydrophobicContact CH2-CE1 3.42Å; W121-F123 VanDerWaalsContact CH2-CE1 3.42Å; W121-F123 HydrophobicContact CH2-CG 4.16Å; W121-F123 HydrophobicContact CH2-CZ 4.11Å; W121-F123 HydrophobicContact CZ2-CB 4.12Å; W121-F123 AromaticContact CZ2-CD1 3.33Å; W121-F123 HydrophobicContact CZ2-CD1 3.33Å; W121-F123 AromaticContact CZ2-CE1 3.84Å; W121-F123 HydrophobicContact CZ2-CE1 3.84Å; W121-F123 AromaticContact CZ2-CG 3.78Å; W121-F123 HydrophobicContact CZ2-CG 3.78Å; W121-F123 AromaticContact CZ3-CD1 3.77Å; W121-F123 HydrophobicContact CZ3-CD1 3.77Å; W121-F123 AromaticContact CZ3-CE1 3.48Å; W121-F123 HydrophobicContact CZ3-CE1 3.48Å; W121-F123 VanDerWaalsContact CZ3-CE1 3.48Å; W121-F123 HydrophobicContact CZ3-CZ 4.38Å; F123-Y137 CarbonylContact C-O 3.6Å; F123-Y137 WeakPolarHBondContact CA-O 3.23Å; F123-Y137 WeakPolarHBondContact CB-O 3.29Å; F123-D138 HydrophobicContact CB-CB 4.35Å; F123-Y183 AromaticContact CD2-CE1 3.8Å; F123-Y183 HydrophobicContact CD2-CE1 3.8Å; F123-Y183 AromaticContact CE2-CE1 3.78Å; F123-Y183 HydrophobicContact CE2-CE1 3.78Å; F123-Y183 AromaticContact CE2-CZ 3.95Å
124	G	98.5	Very high	95.6	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.2	-178.7	-178.3	0	0	0	0	0	114.2	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.52Å; M29-G124 WeakPolarHBondContact O-CA 3.43Å; G124-G136 CarbonylContact O-C 3.54Å; G124-G136 WeakPolarHBondContact O-CA 3.46Å; G124-Y137 PolarHBondContact N-O 2.92Å; G124-Y137 PolarHBondContact O-N 2.85Å; G124-L184 WeakPolarHBondContact O-CD2 3.48Å
125	C	98.5	Very high	95.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	146.9	-177.8	53.4	0	0	0	0	111.2	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.24Å; M29-C125 PolarHBondContact N-O 2.93Å; M29-C125 PolarHBondContact O-N 3.4Å; C125-L133 HydrophobicContact CB-CD1 3.56Å; C125-R135 CarbonylContact C-O 3.58Å; C125-R135 WeakPolarHBondContact CA-O 3.43Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.33Å; C125-C188 PolarHBondContact N-SG 2.99Å; C125-C188 VanDerWaalsContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.05Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.84Å
126	D	97.9	Very high	96.1	Very high	22 Å²	22	46.5 Å²	46.5	12%	0.118	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	136.9	171.2	-60	-10.8	0	0	0	108.6	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.53Å; H27-D126 WeakPolarHBondContact O-CA 3.47Å; S28-D126 WeakPolarHBondContact CB-OD1 3.03Å; R30-D126 IonicContact CZ-OD1 3.94Å; R30-D126 IonicContact NE-OD1 3.94Å; R30-D126 PolarHBondContact NE-OD1 3.46Å; R30-D126 VanDerWaalsContact NH2-CG 3.28Å; R30-D126 IonicContact NH2-OD1 3.95Å; R30-D126 PolarHBondContact NH2-OD1 2.75Å; R30-D126 IonicContact NH2-OD2 3.75Å; R30-D126 PolarHBondContact NH2-OD2 2.67Å; D126-L134 HydrophobicContact CB-CB 4.37Å; D126-L134 PolarHBondContact O-N 3.33Å; D126-R135 HydrophobicContact CB-CB 4.4Å; D126-R135 PolarHBondContact N-O 3.37Å; D126-R135 PolarHBondContact O-N 2.85Å; D126-Y137 WeakPolarHBondContact OD2-CE2 2.98Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.3Å; D126-Y137 PolarHBondContact OD2-OH 3.42Å
127	L	96.6	Very high	96.2	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	135.6	172.4	-56.8	-176.7	0	0	0	110	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.3Å; S26-L127 WeakPolarHBondContact CA-O 3.42Å; S26-L127 WeakPolarHBondContact CB-O 3.21Å; H27-L127 PolarHBondContact N-O 3.26Å; H27-L127 VanDerWaalsContact N-O 3.17Å; H27-L127 PolarHBondContact O-N 3.49Å; L127-R132 CarbonylContact C-O 3.54Å; L127-R132 VanDerWaalsContact CA-O 3.25Å; L127-R132 WeakPolarHBondContact CA-O 3.28Å; L127-V189 HydrophobicContact CD2-CB 4.16Å; L127-V189 HydrophobicContact CD2-CG1 3.75Å; L127-V189 HydrophobicContact CD2-CG2 3.83Å; L127-L192 HydrophobicContact CD1-CB 4.26Å; L127-L192 HydrophobicContact CD1-CD2 3.69Å; L127-L192 HydrophobicContact CD1-CG 3.73Å; L127-L192 HydrophobicContact CD2-CD2 4.49Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.2Å; L127-R193 HydrophobicContact CD1-CG 3.94Å
128	G	93.1	Very high	96.2	Very high	8 Å²	8	44.2 Å²	44.2	8%	0.082	22%	0.222	C	C	.	.			trans	-70.1	174.5	165.2	0	0	0	0	0	111.7	D130 G131 R132	G128-D130 PolarHBondContact O-N 2.63Å; G128-G131 WeakPolarHBondContact O-CA 3.34Å; G128-G131 PolarHBondContact O-N 2.97Å; G128-R132 PolarHBondContact N-O 3.05Å
129	P	88.6	Confident	96.2	Very high	90 Å²	90	46.1 Å²	46.1	58%	0.584	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.1	179.1	-19.4	30.1	0	0	0	113.6	A24 G131	A24-P129 HydrophobicContact CB-CB 3.78Å; A24-P129 HydrophobicContact CB-CG 3.18Å; P129-G131 PolarHBondContact O-N 2.84Å
130	D	88.6	Confident	96.2	Very high	103 Å²	103	46.4 Å²	46.4	55%	0.551	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	3.3	174	70.4	-14	0	0	0	113	G128 R132	G128-D130 PolarHBondContact O-N 2.63Å; D130-R132 PolarHBondContact O-N 3.35Å; D130-R132 WeakPolarHBondContact OD1-CB 3.41Å; D130-R132 PolarHBondContact OD1-N 3.17Å; D130-R132 WeakPolarHBondContact OD2-CD 3.38Å; D130-R132 WeakPolarHBondContact OD2-CG 3.38Å; D130-R132 IonicContact OD2-NE 2.89Å
131	G	88.9	Confident	96.2	Very high	19 Å²	19	43.4 Å²	43.4	20%	0.196	22%	0.219	C	C	.	.	S	Bend	trans	72	9.1	-178.9	0	0	0	0	0	114	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.34Å; G128-G131 PolarHBondContact O-N 2.97Å; P129-G131 PolarHBondContact O-N 2.84Å; G131-R193 VanDerWaalsContact O-CZ 3.27Å; G131-R193 PolarHBondContact O-NE 2.63Å; G131-R193 PolarHBondContact O-NH2 3.01Å
132	R	93.7	Very high	96.2	Very high	172 Å²	172	43 Å²	43	65%	0.649	22%	0.218	S	C	*	.	S	Bend	trans	-88.8	156.1	178.6	-61.3	-173.6	-176.1	172.2	-1.7	111.1	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.54Å; L127-R132 VanDerWaalsContact CA-O 3.25Å; L127-R132 WeakPolarHBondContact CA-O 3.28Å; G128-R132 PolarHBondContact N-O 3.05Å; D130-R132 PolarHBondContact O-N 3.35Å; D130-R132 WeakPolarHBondContact OD1-CB 3.41Å; D130-R132 PolarHBondContact OD1-N 3.17Å; D130-R132 WeakPolarHBondContact OD2-CD 3.38Å; D130-R132 WeakPolarHBondContact OD2-CG 3.38Å; D130-R132 IonicContact OD2-NE 2.89Å; R132-L134 PolarHBondContact O-N 3.3Å; R132-L134 VanDerWaalsContact O-N 3.09Å
133	L	96.7	Very high	96.2	Very high	51 Å²	51	45 Å²	45	27%	0.267	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	117.7	174.2	-177.2	72.5	0	0	0	109.5	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.56Å; L133-R135 WeakPolarHBondContact CD1-O 3.38Å; 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 4.02Å; L133-V189 HydrophobicContact CD1-CG2 4.09Å
134	L	96.4	Very high	96.2	Very high	122 Å²	122	46.4 Å²	46.4	64%	0.639	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	-46	170.8	-179.7	63.2	0	0	0	110.1	D126 R132	D126-L134 HydrophobicContact CB-CB 4.37Å; D126-L134 PolarHBondContact O-N 3.33Å; R132-L134 PolarHBondContact O-N 3.3Å; R132-L134 VanDerWaalsContact O-N 3.09Å
135	R	96.8	Very high	96.2	Very high	92 Å²	92	53.9 Å²	53.9	35%	0.347	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	144	-177.1	-173	162	171.8	140	9.2	112.1	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.58Å; C125-R135 WeakPolarHBondContact CA-O 3.43Å; D126-R135 HydrophobicContact CB-CB 4.4Å; D126-R135 PolarHBondContact N-O 3.37Å; D126-R135 PolarHBondContact O-N 2.85Å; L133-R135 WeakPolarHBondContact CD1-O 3.38Å; R135-Y137 HydrophobicContact CB-CE2 4.07Å; R135-Y137 VanDerWaalsContact CD-CZ 3.46Å; R135-Y137 VanDerWaalsContact CD-OH 3.23Å; R135-Y137 WeakPolarHBondContact CD-OH 2.94Å; R135-Y137 HydrophobicContact CG-CD2 4.41Å; R135-Y137 HydrophobicContact CG-CE1 4.08Å; R135-Y137 HydrophobicContact CG-CE2 3.73Å; R135-E152 VanDerWaalsContact CZ-CD 3.45Å; R135-E152 IonicContact CZ-OE1 3.67Å; R135-E152 IonicContact NH1-OE1 3.37Å; R135-E152 PolarHBondContact NH1-OE1 2.92Å; R135-E152 IonicContact NH1-OE2 2.72Å; R135-E152 VanDerWaalsContact NH2-CG 3.3Å; R135-E152 IonicContact NH2-OE1 3.64Å; R135-E152 PolarHBondContact NH2-OE1 2.96Å
136	G	98	Very high	96.2	Very high	6 Å²	6	59.9 Å²	59.9	6%	0.062	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	150.5	170.7	0	0	0	0	0	111.2	G124	G124-G136 CarbonylContact O-C 3.54Å; G124-G136 WeakPolarHBondContact O-CA 3.46Å
137	Y	98.3	Very high	96.2	Very high	40 Å²	40	59.2 Å²	59.2	16%	0.157	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	140.6	-179.6	-53.4	-98.2	0	0	0	110.2	R30 M122 F123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CZ 3.34Å; R30-Y137 PolarHBondContact NH2-OH 3.28Å; M122-Y137 HydrophobicContact CE-CD1 4.32Å; M122-Y137 HydrophobicContact CE-CG 4.32Å; F123-Y137 CarbonylContact C-O 3.6Å; F123-Y137 WeakPolarHBondContact CA-O 3.23Å; F123-Y137 WeakPolarHBondContact CB-O 3.29Å; G124-Y137 PolarHBondContact N-O 2.92Å; G124-Y137 PolarHBondContact O-N 2.85Å; D126-Y137 WeakPolarHBondContact OD2-CE2 2.98Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.3Å; D126-Y137 PolarHBondContact OD2-OH 3.42Å; R135-Y137 HydrophobicContact CB-CE2 4.07Å; R135-Y137 VanDerWaalsContact CD-CZ 3.46Å; R135-Y137 VanDerWaalsContact CD-OH 3.23Å; R135-Y137 WeakPolarHBondContact CD-OH 2.94Å; R135-Y137 HydrophobicContact CG-CD2 4.41Å; R135-Y137 HydrophobicContact CG-CE1 4.08Å; R135-Y137 HydrophobicContact CG-CE2 3.73Å
138	D	98.5	Very high	96.3	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.016	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	106.4	166	-171.7	-38.9	0	0	0	107.3	W121 M122 F123 A149 L150 R180	W121-D138 PolarHBondContact NE1-OD1 2.95Å; M122-D138 WeakPolarHBondContact O-CA 3.34Å; F123-D138 HydrophobicContact CB-CB 4.35Å; D138-A149 WeakPolarHBondContact O-CA 3.46Å; D138-L150 HydrophobicContact CB-CB 3.91Å; D138-L150 HydrophobicContact CB-CD2 4.13Å; D138-L150 WeakPolarHBondContact O-CB 3.46Å; D138-L150 PolarHBondContact O-N 3.14Å; D138-R180 WeakPolarHBondContact OD2-CD 3.4Å; D138-R180 WeakPolarHBondContact OD2-CG 3.37Å; D138-R180 IonicContact OD2-CZ 3.48Å; D138-R180 IonicContact OD2-NE 3.23Å; D138-R180 PolarHBondContact OD2-NE 2.97Å; D138-R180 VanDerWaalsContact OD2-NE 3.13Å; D138-R180 IonicContact OD2-NH1 2.98Å
139	Q	98.6	Very high	96.6	Very high	78 Å²	78	60.3 Å²	60.3	36%	0.364	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	137.6	-175	62.6	-172.4	60.9	0	0	111.9	W121 M122 I148 A149	W121-Q139 WeakPolarHBondContact CA-O 3.49Å; W121-Q139 VanDerWaalsContact CD1-O 3.31Å; M122-Q139 HydrophobicContact CB-CG 4.14Å; M122-Q139 HydrophobicContact CE-CG 3.76Å; M122-Q139 PolarHBondContact N-O 2.64Å; M122-Q139 PolarHBondContact O-N 3.49Å; Q139-I148 WeakPolarHBondContact CA-O 3.5Å; Q139-A149 HydrophobicContact CB-CB 3.89Å
140	S	98.6	Very high	97.1	Very high	16 Å²	16	56.7 Å²	56.7	11%	0.112	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	146.1	177.5	-56.2	0	0	0	0	111.4	Q120 Y147 I148	Q120-S140 CarbonylContact O-C 3.59Å; Q120-S140 WeakPolarHBondContact O-CA 3.35Å; S140-Y147 WeakPolarHBondContact O-CB 3.35Å; S140-Y147 PolarHBondContact O-N 2.85Å; S140-I148 PolarHBondContact N-O 3.17Å; S140-I148 PolarHBondContact O-N 3.5Å
141	A	98.8	Very high	97.5	Very high	16 Å²	16	53.9 Å²	53.9	13%	0.132	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.7	173.3	0	0	0	0	0	110.4	L119 Q120 K145	L119-A141 WeakPolarHBondContact CD1-O 3.38Å; Q120-A141 HydrophobicContact CB-CB 4.36Å; Q120-A141 PolarHBondContact N-O 3.4Å; Q120-A141 PolarHBondContact O-N 3.17Å; A141-K145 CarbonylContact C-O 3.52Å; A141-K145 WeakPolarHBondContact CA-O 3.33Å; A141-K145 VanDerWaalsContact CB-O 3.23Å; A141-K145 WeakPolarHBondContact CB-O 3.19Å
142	Y	98.8	Very high	98	Very high	11 Å²	11	59.4 Å²	59.4	4%	0.043	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	128.2	177.4	-174.8	-120.7	0	0	0	110.2	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.01Å; L105-Y142 HydrophobicContact CB-CD1 4.37Å; L105-Y142 HydrophobicContact CB-CD2 4.23Å; L105-Y142 HydrophobicContact CB-CE1 4.01Å; L105-Y142 HydrophobicContact CB-CE2 3.88Å; L105-Y142 HydrophobicContact CB-CG 4.46Å; L105-Y142 HydrophobicContact CD1-CD2 3.62Å; L105-Y142 HydrophobicContact CD1-CE2 3.95Å; L105-Y142 HydrophobicContact CD1-CG 4.05Å; L105-Y142 HydrophobicContact CG-CD2 4.44Å; Y109-Y142 AromaticContact CD2-CD1 3.72Å; Y109-Y142 HydrophobicContact CD2-CD1 3.72Å; Y109-Y142 AromaticContact CD2-CE1 3.51Å; Y109-Y142 HydrophobicContact CD2-CE1 3.51Å; Y109-Y142 AromaticContact CE2-CD1 3.5Å; Y109-Y142 HydrophobicContact CE2-CD1 3.5Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.5Å; Y109-Y142 AromaticContact CE2-CE1 3.82Å; Y109-Y142 HydrophobicContact CE2-CE1 3.82Å; Y109-Y142 HydrophobicContact CG-CE1 4.39Å; Q111-Y142 PolarHBondContact OE1-OH 3.34Å; H117-Y142 HydrophobicContact CB-CE2 3.81Å; H117-Y142 WeakPolarHBondContact CB-OH 3.36Å; H117-Y142 AromaticContact CG-CZ 4Å; H117-Y142 AromaticContact ND1-CZ 3.9Å; H117-Y142 PolarHBondContact ND1-OH 2.91Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 3.23Å; T118-Y142 VanDerWaalsContact O-CD2 3.28Å; T118-Y142 WeakPolarHBondContact O-CD2 3.12Å; Y142-G144 PolarHBondContact O-N 2.8Å; Y142-K145 PolarHBondContact N-O 3.2Å; Y142-K145 PolarHBondContact O-N 2.94Å
143	D	98.2	Very high	98.1	Very high	62 Å²	62	55 Å²	55	33%	0.332	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	40.8	-174.4	-66.6	-21.9	0	0	0	113.2	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.07Å; H117-D143 WeakPolarHBondContact CA-OD1 3.37Å; H117-D143 WeakPolarHBondContact CB-OD1 3.28Å; H117-D143 IonicContact CE1-OD2 2.73Å; H117-D143 IonicContact CG-OD1 2.68Å; H117-D143 IonicContact CG-OD2 3.16Å; H117-D143 IonicContact ND1-OD1 2.76Å; H117-D143 IonicContact ND1-OD2 3.71Å; H117-D143 PolarHBondContact ND1-OD2 3.46Å; T118-D143 PolarHBondContact N-OD1 2.88Å; T118-D143 PolarHBondContact O-N 2.8Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.19Å
144	G	97.4	Very high	98.2	Very high	59 Å²	59	53 Å²	53	61%	0.608	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	9.2	178	0	0	0	0	0	115.2	Y142	Y142-G144 PolarHBondContact O-N 2.8Å
145	K	98.5	Very high	98.3	Very high	157 Å²	157	55 Å²	55	68%	0.683	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	145.6	177	-62	-179.3	-177.6	178.5	0	110.8	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.52Å; A141-K145 WeakPolarHBondContact CA-O 3.33Å; A141-K145 VanDerWaalsContact CB-O 3.23Å; A141-K145 WeakPolarHBondContact CB-O 3.19Å; Y142-K145 PolarHBondContact N-O 3.2Å; Y142-K145 PolarHBondContact O-N 2.94Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.19Å; K145-Y147 PolarHBondContact O-N 3.08Å
146	D	98.7	Very high	98.3	Very high	126 Å²	126	52.6 Å²	52.6	67%	0.674	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.9	136.4	174.4	-66.7	-23.2	0	0	0	110.7	A160	D146-A160 HydrophobicContact CB-CB 4.3Å; D146-A160 WeakPolarHBondContact O-CB 3.24Å
147	Y	98.8	Very high	98.4	Very high	9 Å²	9	52.8 Å²	52.8	4%	0.035	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-62.9	178.6	-179.9	-108.2	0	0	0	110.3	L105 Y109 S140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.39Å; L105-Y147 HydrophobicContact CD2-CD2 4.03Å; L105-Y147 HydrophobicContact CD2-CE1 3.82Å; L105-Y147 HydrophobicContact CD2-CE2 3.38Å; L105-Y147 HydrophobicContact CD2-CG 4.5Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.41Å; Y109-Y147 HydrophobicContact CE2-CD2 4.36Å; Y109-Y147 HydrophobicContact CE2-CE2 4.08Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.25Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.28Å; S140-Y147 WeakPolarHBondContact O-CB 3.35Å; S140-Y147 PolarHBondContact O-N 2.85Å; K145-Y147 PolarHBondContact O-N 3.08Å; Y147-A160 WeakPolarHBondContact O-CB 3.48Å; Y147-A160 PolarHBondContact O-N 3.26Å; Y147-A163 PolarHBondContact OH-O 3.34Å; Y147-A164 HydrophobicContact CD2-CB 3.83Å; Y147-A164 HydrophobicContact CE1-CB 4.42Å; Y147-A164 HydrophobicContact CE2-CB 3.69Å; Y147-A164 HydrophobicContact CG-CB 4.27Å; Y147-A164 WeakPolarHBondContact O-CB 3.3Å; Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 PolarHBondContact OH-OG1 3.28Å
148	I	98.8	Very high	98.4	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.026	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	141.6	179.7	-161.5	170.9	0	0	0	110.3	Q139 S140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.5Å; S140-I148 PolarHBondContact N-O 3.17Å; S140-I148 PolarHBondContact O-N 3.5Å; I148-W157 HydrophobicContact CD1-CB 4.25Å; I148-W157 HydrophobicContact CD1-CD2 4.47Å; I148-W157 HydrophobicContact CD1-CE3 4.29Å; I148-W157 HydrophobicContact CD1-CG 4.48Å; I148-W157 HydrophobicContact CG1-CB 4.31Å; I148-W157 HydrophobicContact CG1-CE3 4.11Å; I148-T158 WeakPolarHBondContact CA-O 3.15Å; I148-T167 HydrophobicContact CD1-CG2 4.03Å; I148-Q168 HydrophobicContact CD1-CB 3.94Å; I148-W171 HydrophobicContact CD1-CE3 3.95Å; I148-W171 HydrophobicContact CD1-CZ3 4.16Å; I148-W171 HydrophobicContact CG2-CE3 4.47Å; I148-W171 HydrophobicContact CG2-CH2 3.93Å; I148-W171 HydrophobicContact CG2-CZ3 3.64Å
149	A	98.8	Very high	98.4	Very high	29 Å²	29	55.6 Å²	55.6	24%	0.24	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	140.3	178.1	0	0	0	0	0	111.5	D138 Q139 W157 T158	D138-A149 WeakPolarHBondContact O-CA 3.46Å; Q139-A149 HydrophobicContact CB-CB 3.89Å; A149-W157 CarbonylContact O-C 3.51Å; A149-W157 WeakPolarHBondContact O-CA 3.49Å; A149-T158 PolarHBondContact N-O 2.81Å; A149-T158 PolarHBondContact O-N 3.42Å
150	L	98.8	Very high	98.4	Very high	14 Å²	14	54.8 Å²	54.8	7%	0.073	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	128.9	168.8	-174.8	66.9	0	0	0	108.5	D138 L154 W157 A177 R180 L184	D138-L150 HydrophobicContact CB-CB 3.91Å; D138-L150 HydrophobicContact CB-CD2 4.13Å; D138-L150 WeakPolarHBondContact O-CB 3.46Å; D138-L150 PolarHBondContact O-N 3.14Å; L150-L154 HydrophobicContact CD2-CB 4.45Å; L150-L154 HydrophobicContact CD2-CD2 3.75Å; L150-L154 HydrophobicContact CG-CD2 4.3Å; L150-W157 HydrophobicContact CB-CE3 3.96Å; L150-W157 HydrophobicContact CB-CH2 4.07Å; L150-W157 HydrophobicContact CB-CZ3 3.61Å; L150-W157 HydrophobicContact CD1-CD2 4.12Å; L150-W157 HydrophobicContact CD1-CE3 4.23Å; L150-W157 HydrophobicContact CD1-CH2 4Å; L150-W157 HydrophobicContact CD1-CZ2 3.89Å; L150-W157 HydrophobicContact CD1-CZ3 4.16Å; L150-W157 HydrophobicContact CG-CZ3 4.46Å; L150-A177 HydrophobicContact CD1-CB 3.99Å; L150-R180 HydrophobicContact CD2-CB 4.01Å; L150-L184 HydrophobicContact CD2-CD1 3.95Å
151	N	98.6	Very high	98.4	Very high	44 Å²	44	56.5 Å²	56.5	24%	0.235	31%	0.314	C	S	.	.			trans	-72.5	162.9	179.8	-67.2	-28.7	0	0	0	111.2	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.01Å; N151-L154 WeakPolarHBondContact O-CA 3.42Å; N151-L154 PolarHBondContact O-N 3.21Å; N151-S156 WeakPolarHBondContact CB-O 3.36Å; N151-S156 WeakPolarHBondContact CB-OG 3.49Å; N151-S156 PolarHBondContact N-O 3.23Å; N151-S156 PolarHBondContact ND2-OG 3.26Å; N151-T158 PolarHBondContact ND2-OG1 3.36Å; N151-T158 WeakPolarHBondContact OD1-CB 3.38Å; N151-T158 PolarHBondContact OD1-OG1 2.82Å
152	E	97.5	Very high	98.3	Very high	136 Å²	136	61 Å²	61	64%	0.636	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.7	-179.7	-66.2	178.5	-164.7	0	0	113.6	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.45Å; R135-E152 IonicContact CZ-OE1 3.67Å; R135-E152 IonicContact NH1-OE1 3.37Å; R135-E152 PolarHBondContact NH1-OE1 2.92Å; R135-E152 IonicContact NH1-OE2 2.72Å; R135-E152 VanDerWaalsContact NH2-CG 3.3Å; R135-E152 IonicContact NH2-OE1 3.64Å; R135-E152 PolarHBondContact NH2-OE1 2.96Å; E152-L154 PolarHBondContact O-N 2.81Å
153	D	97.5	Very high	98.3	Very high	78 Å²	78	60.8 Å²	60.8	42%	0.417	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-8.6	174.5	70.6	4.1	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.01Å; D153-R155 WeakPolarHBondContact O-CG 3.19Å; D153-R155 PolarHBondContact O-N 2.85Å; D153-R155 PolarHBondContact OD1-N 3.19Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.83Å; D153-S156 PolarHBondContact OD1-OG 3.44Å; D153-S156 VanDerWaalsContact OD1-OG 3.1Å; D153-S156 WeakPolarHBondContact OD2-CB 3.43Å; D153-S156 PolarHBondContact OD2-OG 3.2Å
154	L	98	Very high	98.3	Very high	9 Å²	9	57.8 Å²	57.8	5%	0.047	32%	0.324	C	S	.	.	S	Bend	trans	53.5	27.8	-175.2	-53.4	-178.9	0	0	0	113.7	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.19Å; L150-L154 HydrophobicContact CD2-CB 4.45Å; L150-L154 HydrophobicContact CD2-CD2 3.75Å; L150-L154 HydrophobicContact CG-CD2 4.3Å; N151-L154 WeakPolarHBondContact O-CA 3.42Å; N151-L154 PolarHBondContact O-N 3.21Å; E152-L154 PolarHBondContact O-N 2.81Å; L154-R181 HydrophobicContact CB-CB 4.07Å; L154-R181 HydrophobicContact CB-CG 3.86Å; L154-R181 HydrophobicContact CD1-CG 4.2Å; L154-L184 HydrophobicContact CD2-CD1 3.96Å; L154-E185 HydrophobicContact CD1-CG 4.2Å
155	R	97.6	Very high	98.4	Very high	166 Å²	166	58.5 Å²	58.5	63%	0.626	31%	0.311	S	S	*	.	S	Bend	trans	-134.3	-31.8	-174.1	-70.6	171.5	-172.4	-135	6.9	112.9	D153 A177 R181	D153-R155 WeakPolarHBondContact O-CG 3.19Å; D153-R155 PolarHBondContact O-N 2.85Å; D153-R155 PolarHBondContact OD1-N 3.19Å; R155-A177 WeakPolarHBondContact O-CB 3.47Å; R155-R181 VanDerWaalsContact NH2-NH1 3.14Å
156	S	98.1	Very high	98.4	Very high	40 Å²	40	53.9 Å²	53.9	28%	0.28	29%	0.293	S	S	.	.			trans	-116	162.2	-177.4	63.2	0	0	0	0	111.9	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.36Å; N151-S156 WeakPolarHBondContact CB-OG 3.49Å; N151-S156 PolarHBondContact N-O 3.23Å; N151-S156 PolarHBondContact ND2-OG 3.26Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.83Å; D153-S156 PolarHBondContact OD1-OG 3.44Å; D153-S156 VanDerWaalsContact OD1-OG 3.1Å; D153-S156 WeakPolarHBondContact OD2-CB 3.43Å; D153-S156 PolarHBondContact OD2-OG 3.2Å
157	W	98.7	Very high	98.3	Very high	10 Å²	10	48.7 Å²	48.7	4%	0.038	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	145.7	-177.8	-60.5	92.3	0	0	0	110.8	I148 A149 L150 Q168 W171 E176 A177 R180	I148-W157 HydrophobicContact CD1-CB 4.25Å; I148-W157 HydrophobicContact CD1-CD2 4.47Å; I148-W157 HydrophobicContact CD1-CE3 4.29Å; I148-W157 HydrophobicContact CD1-CG 4.48Å; I148-W157 HydrophobicContact CG1-CB 4.31Å; I148-W157 HydrophobicContact CG1-CE3 4.11Å; A149-W157 CarbonylContact O-C 3.51Å; A149-W157 WeakPolarHBondContact O-CA 3.49Å; L150-W157 HydrophobicContact CB-CE3 3.96Å; L150-W157 HydrophobicContact CB-CH2 4.07Å; L150-W157 HydrophobicContact CB-CZ3 3.61Å; L150-W157 HydrophobicContact CD1-CD2 4.12Å; L150-W157 HydrophobicContact CD1-CE3 4.23Å; L150-W157 HydrophobicContact CD1-CH2 4Å; L150-W157 HydrophobicContact CD1-CZ2 3.89Å; L150-W157 HydrophobicContact CD1-CZ3 4.16Å; L150-W157 HydrophobicContact CG-CZ3 4.46Å; W157-Q168 HydrophobicContact CB-CG 4.15Å; W157-Q168 PolarHBondContact O-NE2 2.82Å; W157-W171 AromaticContact CD2-CE3 3.87Å; W157-W171 HydrophobicContact CD2-CE3 3.87Å; W157-W171 HydrophobicContact CD2-CZ3 4.37Å; W157-W171 AromaticContact CE2-CE3 3.74Å; W157-W171 AromaticContact CE3-CE3 3.76Å; W157-W171 HydrophobicContact CE3-CE3 3.76Å; W157-W171 AromaticContact CE3-CZ3 3.79Å; W157-W171 HydrophobicContact CE3-CZ3 3.79Å; W157-W171 AromaticContact CH2-CE3 3.46Å; W157-W171 HydrophobicContact CH2-CE3 3.46Å; W157-W171 VanDerWaalsContact CH2-CE3 3.46Å; W157-W171 AromaticContact CH2-CZ3 3.43Å; W157-W171 HydrophobicContact CH2-CZ3 3.43Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.43Å; W157-W171 HydrophobicContact CZ2-CD2 4.43Å; W157-W171 AromaticContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CZ3 4.04Å; W157-W171 AromaticContact CZ3-CE3 3.58Å; W157-W171 HydrophobicContact CZ3-CE3 3.58Å; W157-W171 HydrophobicContact CZ3-CH2 4.49Å; W157-W171 AromaticContact CZ3-CZ3 3.3Å; W157-W171 HydrophobicContact CZ3-CZ3 3.3Å; W157-E176 HydrophobicContact CZ2-CB 4.24Å; W157-A177 HydrophobicContact CZ2-CB 4.27Å; W157-R180 HydrophobicContact CH2-CG 4.24Å
158	T	98.7	Very high	98.3	Very high	80 Å²	80	50.1 Å²	50.1	49%	0.491	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.7	166.2	-66.9	0	0	0	0	108.9	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.15Å; A149-T158 PolarHBondContact N-O 2.81Å; A149-T158 PolarHBondContact O-N 3.42Å; N151-T158 PolarHBondContact ND2-OG1 3.36Å; N151-T158 WeakPolarHBondContact OD1-CB 3.38Å; N151-T158 PolarHBondContact OD1-OG1 2.82Å
159	A	98.7	Very high	98.3	Very high	22 Å²	22	57.3 Å²	57.3	18%	0.182	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	131.5	174.3	0	0	0	0	0	110.2	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.71Å; A159-Q165 HydrophobicContact CB-CG 3.98Å; A159-Q168 HydrophobicContact CB-CB 4.4Å
160	A	98.6	Very high	98.3	Very high	61 Å²	61	61.3 Å²	61.3	50%	0.504	31%	0.312	S	S	.	.	S	Bend	trans	-74	-30.4	-176.9	0	0	0	0	0	113.3	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.3Å; D146-A160 WeakPolarHBondContact O-CB 3.24Å; Y147-A160 WeakPolarHBondContact O-CB 3.48Å; Y147-A160 PolarHBondContact O-N 3.26Å
161	D	98.4	Very high	98.3	Very high	53 Å²	53	63.6 Å²	63.6	28%	0.283	32%	0.32	S	S	.	.	S	Bend	trans	-150.9	-176.2	-178.6	67.4	30	0	0	0	113.3	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.37Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 2.86Å; Y109-D161 PolarHBondContact OH-OD2 2.63Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.98Å; D161-A163 WeakPolarHBondContact OD1-CA 3.48Å; D161-A163 WeakPolarHBondContact OD1-CB 3.49Å; D161-A163 PolarHBondContact OD1-N 3.43Å; D161-A164 PolarHBondContact O-N 2.83Å; D161-A164 PolarHBondContact OD1-N 2.91Å; D161-Q165 WeakPolarHBondContact O-CG 3.49Å; D161-Q165 PolarHBondContact O-N 2.67Å
162	T	98.2	Very high	98.3	Very high	111 Å²	111	65.9 Å²	65.9	68%	0.681	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-27.8	-179.4	51.2	0	0	0	0	114
163	A	98	Very high	98.3	Very high	5 Å²	5	63.6 Å²	63.6	4%	0.041	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-43.6	175.4	0	0	0	0	0	110	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.18Å; Y109-A163 HydrophobicContact CD2-CB 4.41Å; Y109-A163 HydrophobicContact CE1-CB 3.64Å; Y109-A163 HydrophobicContact CE2-CB 3.89Å; Y109-A163 VanDerWaalsContact CZ-CB 3.48Å; Y147-A163 PolarHBondContact OH-O 3.34Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.98Å; D161-A163 WeakPolarHBondContact OD1-CA 3.48Å; D161-A163 WeakPolarHBondContact OD1-CB 3.49Å; D161-A163 PolarHBondContact OD1-N 3.43Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.1Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.14Å; A163-I166 PolarHBondContact O-N 2.86Å
164	A	98.5	Very high	98.3	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60.2	-33.9	174	0	0	0	0	0	113.2	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.83Å; Y147-A164 HydrophobicContact CE1-CB 4.42Å; Y147-A164 HydrophobicContact CE2-CB 3.69Å; Y147-A164 HydrophobicContact CG-CB 4.27Å; Y147-A164 WeakPolarHBondContact O-CB 3.3Å; A159-A164 HydrophobicContact CB-CB 3.71Å; D161-A164 PolarHBondContact O-N 2.83Å; D161-A164 PolarHBondContact OD1-N 2.91Å; A164-I166 PolarHBondContact O-N 2.88Å; A164-T167 WeakPolarHBondContact O-CB 3.38Å; A164-T167 PolarHBondContact O-N 2.89Å; A164-Q168 PolarHBondContact O-N 2.88Å
165	Q	98.7	Very high	98.3	Very high	73 Å²	73	69.6 Å²	69.6	34%	0.341	36%	0.361	S	S	.	.	H	α-helix	trans	-59.3	-27.5	173.4	-72.8	175.2	12	0	0	113.1	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.98Å; D161-Q165 WeakPolarHBondContact O-CG 3.49Å; D161-Q165 PolarHBondContact O-N 2.67Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.1Å; Q165-R169 VanDerWaalsContact O-CG 3.3Å; Q165-R169 WeakPolarHBondContact O-CG 3.42Å; Q165-R169 PolarHBondContact O-N 2.82Å; Q165-R169 VanDerWaalsContact O-N 3.11Å
166	I	98.3	Very high	98.3	Very high	61 Å²	61	64.1 Å²	64.1	31%	0.313	34%	0.343	S	S	.	.	H	α-helix	trans	-67	-44.7	174.4	-56.3	171.5	0	0	0	109.8	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.18Å; Y108-I166 HydrophobicContact CD2-CD1 4.45Å; Y108-I166 HydrophobicContact CE1-CD1 4.46Å; Y108-I166 HydrophobicContact CE1-CG2 4.14Å; Y108-I166 HydrophobicContact CE2-CB 4.19Å; Y108-I166 HydrophobicContact CE2-CG2 4.08Å; Y108-I166 HydrophobicContact CG-CD1 4.19Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.14Å; A163-I166 PolarHBondContact O-N 2.86Å; A164-I166 PolarHBondContact O-N 2.88Å; I166-K170 WeakPolarHBondContact O-CG 3.35Å; I166-K170 PolarHBondContact O-N 3.11Å
167	T	98.3	Very high	98.3	Very high	16 Å²	16	62.7 Å²	62.7	10%	0.098	33%	0.333	C	S	.	.	H	α-helix	trans	-64.5	-45.8	174.7	-69.2	0	0	0	0	111.1	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 PolarHBondContact OH-OG1 3.28Å; I148-T167 HydrophobicContact CD1-CG2 4.03Å; A164-T167 WeakPolarHBondContact O-CB 3.38Å; A164-T167 PolarHBondContact O-N 2.89Å; T167-R169 PolarHBondContact O-N 3.07Å; T167-K170 WeakPolarHBondContact O-CB 3.36Å; T167-K170 PolarHBondContact O-N 3.36Å; T167-K170 VanDerWaalsContact O-N 3.08Å; T167-W171 HydrophobicContact CG2-CD2 3.65Å; T167-W171 VanDerWaalsContact CG2-CE2 3.48Å; T167-W171 HydrophobicContact CG2-CE3 4.12Å; T167-W171 HydrophobicContact CG2-CG 4.06Å; T167-W171 HydrophobicContact CG2-CH2 4.3Å; T167-W171 HydrophobicContact CG2-CZ2 3.84Å; T167-W171 HydrophobicContact CG2-CZ3 4.41Å; T167-W171 PolarHBondContact O-N 3.42Å
168	Q	98.6	Very high	98.3	Very high	39 Å²	39	67.6 Å²	67.6	18%	0.182	36%	0.356	C	S	.	.	H	α-helix	trans	-51.4	-52.8	177.6	176.2	174.5	12.6	0	0	111.8	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.94Å; W157-Q168 HydrophobicContact CB-CG 4.15Å; W157-Q168 PolarHBondContact O-NE2 2.82Å; A159-Q168 HydrophobicContact CB-CB 4.4Å; A164-Q168 PolarHBondContact O-N 2.88Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 2.8Å; Q168-W171 PolarHBondContact O-N 3.04Å; Q168-W171 VanDerWaalsContact O-N 3.15Å; Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.49Å; Q168-E172 PolarHBondContact NE2-OE1 2.87Å; Q168-E172 WeakPolarHBondContact O-CB 3.25Å; Q168-E172 WeakPolarHBondContact O-CG 3.48Å; Q168-E172 PolarHBondContact O-N 3.03Å
169	R	98.6	Very high	98.2	Very high	156 Å²	156	69.5 Å²	69.5	59%	0.589	36%	0.36	S	S	*	.	H	α-helix	trans	-60.1	-37.7	179.8	-68.3	170.4	-164.5	155.4	8.7	112.6	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.3Å; Q165-R169 WeakPolarHBondContact O-CG 3.42Å; Q165-R169 PolarHBondContact O-N 2.82Å; Q165-R169 VanDerWaalsContact O-N 3.11Å; T167-R169 PolarHBondContact O-N 3.07Å; R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.35Å; R169-A173 PolarHBondContact O-N 3.39Å
170	K	98.1	Very high	98.2	Very high	114 Å²	114	71.5 Å²	71.5	50%	0.496	36%	0.362	S	S	.	.	H	α-helix	trans	-66.3	-45	176.6	-72.5	177.4	177	-175.6	0	111.2	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 2.81Å; I166-K170 WeakPolarHBondContact O-CG 3.35Å; I166-K170 PolarHBondContact O-N 3.11Å; T167-K170 WeakPolarHBondContact O-CB 3.36Å; T167-K170 PolarHBondContact O-N 3.36Å; T167-K170 VanDerWaalsContact O-N 3.08Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 2.8Å; K170-A173 PolarHBondContact O-N 2.86Å; K170-A174 WeakPolarHBondContact O-CB 3.3Å; K170-A174 PolarHBondContact O-N 2.83Å
171	W	98.2	Very high	98.2	Very high	61 Å²	61	72.1 Å²	72.1	23%	0.231	35%	0.352	C	S	.	.	H	α-helix	trans	-69.6	-37	-179.5	-74.7	4.5	0	0	0	112.7	I148 W157 T167 Q168 A174 R175 E176	I148-W171 HydrophobicContact CD1-CE3 3.95Å; I148-W171 HydrophobicContact CD1-CZ3 4.16Å; I148-W171 HydrophobicContact CG2-CE3 4.47Å; I148-W171 HydrophobicContact CG2-CH2 3.93Å; I148-W171 HydrophobicContact CG2-CZ3 3.64Å; W157-W171 AromaticContact CD2-CE3 3.87Å; W157-W171 HydrophobicContact CD2-CE3 3.87Å; W157-W171 HydrophobicContact CD2-CZ3 4.37Å; W157-W171 AromaticContact CE2-CE3 3.74Å; W157-W171 AromaticContact CE3-CE3 3.76Å; W157-W171 HydrophobicContact CE3-CE3 3.76Å; W157-W171 AromaticContact CE3-CZ3 3.79Å; W157-W171 HydrophobicContact CE3-CZ3 3.79Å; W157-W171 AromaticContact CH2-CE3 3.46Å; W157-W171 HydrophobicContact CH2-CE3 3.46Å; W157-W171 VanDerWaalsContact CH2-CE3 3.46Å; W157-W171 AromaticContact CH2-CZ3 3.43Å; W157-W171 HydrophobicContact CH2-CZ3 3.43Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.43Å; W157-W171 HydrophobicContact CZ2-CD2 4.43Å; W157-W171 AromaticContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CZ3 4.04Å; W157-W171 AromaticContact CZ3-CE3 3.58Å; W157-W171 HydrophobicContact CZ3-CE3 3.58Å; W157-W171 HydrophobicContact CZ3-CH2 4.49Å; W157-W171 AromaticContact CZ3-CZ3 3.3Å; W157-W171 HydrophobicContact CZ3-CZ3 3.3Å; T167-W171 HydrophobicContact CG2-CD2 3.65Å; T167-W171 VanDerWaalsContact CG2-CE2 3.48Å; T167-W171 HydrophobicContact CG2-CE3 4.12Å; T167-W171 HydrophobicContact CG2-CG 4.06Å; T167-W171 HydrophobicContact CG2-CH2 4.3Å; T167-W171 HydrophobicContact CG2-CZ2 3.84Å; T167-W171 HydrophobicContact CG2-CZ3 4.41Å; T167-W171 PolarHBondContact O-N 3.42Å; Q168-W171 PolarHBondContact O-N 3.04Å; Q168-W171 VanDerWaalsContact O-N 3.15Å; W171-A174 CarbonylContact O-C 3.58Å; W171-A174 PolarHBondContact O-N 3.17Å; W171-R175 WeakPolarHBondContact O-CA 3.42Å; W171-R175 PolarHBondContact O-N 2.9Å; W171-E176 HydrophobicContact CB-CB 3.96Å; W171-E176 HydrophobicContact CB-CG 3.88Å; W171-E176 HydrophobicContact CD2-CG 4.5Å; W171-E176 HydrophobicContact CG-CB 4.13Å; W171-E176 HydrophobicContact CG-CG 3.82Å; W171-E176 PolarHBondContact O-N 3.05Å
172	E	98.4	Very high	98.2	Very high	93 Å²	93	72.6 Å²	72.6	44%	0.435	36%	0.363	S	S	.	.	H	α-helix	trans	-64.2	-46.1	172.2	-73.4	170.1	173.8	0	0	111.2	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.49Å; Q168-E172 PolarHBondContact NE2-OE1 2.87Å; Q168-E172 WeakPolarHBondContact O-CB 3.25Å; Q168-E172 WeakPolarHBondContact O-CG 3.48Å; Q168-E172 PolarHBondContact O-N 3.03Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.2Å; E172-R175 PolarHBondContact O-N 3Å; E172-R175 VanDerWaalsContact O-N 3.11Å
173	A	98.4	Very high	98.1	Very high	88 Å²	88	69.7 Å²	69.7	73%	0.727	34%	0.34	S	S	*	.	H	α-helix	trans	-62.4	-35.6	176.5	0	0	0	0	0	112.6	R169 K170 R175	R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.35Å; R169-A173 PolarHBondContact O-N 3.39Å; K170-A173 PolarHBondContact O-N 2.86Å; A173-R175 VanDerWaalsContact C-N 3.35Å
174	A	97.9	Very high	98.2	Very high	53 Å²	53	69.6 Å²	69.6	44%	0.438	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-2.8	176.8	0	0	0	0	0	114	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.3Å; K170-A174 PolarHBondContact O-N 2.83Å; W171-A174 CarbonylContact O-C 3.58Å; W171-A174 PolarHBondContact O-N 3.17Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.2Å; A174-E176 VanDerWaalsContact C-N 3.27Å; A174-E176 HydrophobicContact CB-CG 4.09Å; A174-E176 PolarHBondContact O-N 2.72Å
175	R	97.8	Very high	98.1	Very high	159 Å²	159	73.9 Å²	73.9	60%	0.6	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	38.8	-176.9	-56.7	178.6	172.4	-147.8	5.5	113.8	W171 E172 A173 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.42Å; W171-R175 PolarHBondContact O-N 2.9Å; E172-R175 PolarHBondContact O-N 3Å; E172-R175 VanDerWaalsContact O-N 3.11Å; A173-R175 VanDerWaalsContact C-N 3.35Å; R175-A177 PolarHBondContact O-N 2.75Å; R175-E178 HydrophobicContact CB-CG 4.21Å; R175-E178 WeakPolarHBondContact CD-OE1 3.46Å; R175-E178 IonicContact CZ-OE1 3.2Å; R175-E178 IonicContact NH1-OE1 3.69Å; R175-E178 PolarHBondContact NH1-OE1 2.85Å; R175-E178 IonicContact NH1-OE2 3.75Å; R175-E178 WeakPolarHBondContact O-CB 3.16Å; R175-E178 PolarHBondContact O-N 2.89Å
176	E	97.7	Very high	98.1	Very high	52 Å²	52	71.5 Å²	71.5	24%	0.243	35%	0.354	C	S	.	.	H	α-helix	trans	-58.5	-33.1	-178.2	-68.8	-68.7	173.2	0	0	112.6	W157 W171 A174 E178 Q179 R180	W157-E176 HydrophobicContact CZ2-CB 4.24Å; W171-E176 HydrophobicContact CB-CB 3.96Å; W171-E176 HydrophobicContact CB-CG 3.88Å; W171-E176 HydrophobicContact CD2-CG 4.5Å; W171-E176 HydrophobicContact CG-CB 4.13Å; W171-E176 HydrophobicContact CG-CG 3.82Å; W171-E176 PolarHBondContact O-N 3.05Å; A174-E176 VanDerWaalsContact C-N 3.27Å; A174-E176 HydrophobicContact CB-CG 4.09Å; A174-E176 PolarHBondContact O-N 2.72Å; E176-E178 PolarHBondContact O-N 3.36Å; E176-Q179 PolarHBondContact O-N 3.28Å; E176-Q179 VanDerWaalsContact O-N 3.11Å; E176-R180 WeakPolarHBondContact O-CG 3.49Å; E176-R180 PolarHBondContact O-N 3.2Å
177	A	98.3	Very high	98.1	Very high	9 Å²	9	71.1 Å²	71.1	7%	0.074	35%	0.354	C	S	.	.	H	α-helix	trans	-58.7	-35	177	0	0	0	0	0	112.5	L150 R155 W157 R175 Q179 R180 R181	L150-A177 HydrophobicContact CD1-CB 3.99Å; R155-A177 WeakPolarHBondContact O-CB 3.47Å; W157-A177 HydrophobicContact CZ2-CB 4.27Å; R175-A177 PolarHBondContact O-N 2.75Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 3.05Å; A177-R180 PolarHBondContact O-N 2.76Å; A177-R181 WeakPolarHBondContact O-CB 3.4Å; A177-R181 PolarHBondContact O-N 2.72Å
178	E	98.1	Very high	98.1	Very high	113 Å²	113	70.3 Å²	70.3	53%	0.528	35%	0.35	S	S	.	.	H	α-helix	trans	-64.4	-40.2	177.6	-63.7	178.8	-175.7	0	0	111.2	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.21Å; R175-E178 WeakPolarHBondContact CD-OE1 3.46Å; R175-E178 IonicContact CZ-OE1 3.2Å; R175-E178 IonicContact NH1-OE1 3.69Å; R175-E178 PolarHBondContact NH1-OE1 2.85Å; R175-E178 IonicContact NH1-OE2 3.75Å; R175-E178 WeakPolarHBondContact O-CB 3.16Å; R175-E178 PolarHBondContact O-N 2.89Å; E176-E178 PolarHBondContact O-N 3.36Å; E178-A182 WeakPolarHBondContact O-CB 3.23Å; E178-A182 PolarHBondContact O-N 2.83Å
179	Q	96.9	Very high	98.1	Very high	121 Å²	121	68.9 Å²	68.9	57%	0.565	34%	0.343	S	S	*	.	H	α-helix	trans	-69.4	-43.6	177.4	-60.7	-176.5	35.5	0	0	111.6	E176 A177 A182 Y183	E176-Q179 PolarHBondContact O-N 3.28Å; E176-Q179 VanDerWaalsContact O-N 3.11Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 3.05Å; Q179-A182 PolarHBondContact O-N 2.81Å; Q179-Y183 PolarHBondContact O-N 3.32Å; Q179-Y183 VanDerWaalsContact O-N 3.09Å
180	R	97.8	Very high	98	Very high	63 Å²	63	67.5 Å²	67.5	24%	0.238	34%	0.343	C	S	.	.	H	α-helix	trans	-62.4	-45.5	176.8	-63.7	-49.4	-176.3	166.3	5.8	111.5	W121 D138 L150 W157 E176 A177 A182 Y183 L184	W121-R180 VanDerWaalsContact CH2-NH1 3.31Å; W121-R180 VanDerWaalsContact CZ2-CZ 3.49Å; D138-R180 WeakPolarHBondContact OD2-CD 3.4Å; D138-R180 WeakPolarHBondContact OD2-CG 3.37Å; D138-R180 IonicContact OD2-CZ 3.48Å; D138-R180 IonicContact OD2-NE 3.23Å; D138-R180 PolarHBondContact OD2-NE 2.97Å; D138-R180 VanDerWaalsContact OD2-NE 3.13Å; D138-R180 IonicContact OD2-NH1 2.98Å; L150-R180 HydrophobicContact CD2-CB 4.01Å; W157-R180 HydrophobicContact CH2-CG 4.24Å; E176-R180 WeakPolarHBondContact O-CG 3.49Å; E176-R180 PolarHBondContact O-N 3.2Å; A177-R180 PolarHBondContact O-N 2.76Å; R180-A182 PolarHBondContact O-N 3.1Å; R180-Y183 PolarHBondContact O-N 2.79Å; R180-L184 WeakPolarHBondContact O-CB 3.19Å; R180-L184 VanDerWaalsContact O-CG 3.24Å; R180-L184 WeakPolarHBondContact O-CG 3.29Å; R180-L184 PolarHBondContact O-N 2.89Å
181	R	98.3	Very high	98	Very high	74 Å²	74	64.2 Å²	64.2	28%	0.279	33%	0.328	S	S	.	.	H	α-helix	trans	-58.6	-46.9	175.2	-175.4	173.2	179.4	-136.5	-15.3	112.3	L154 R155 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.07Å; L154-R181 HydrophobicContact CB-CG 3.86Å; L154-R181 HydrophobicContact CD1-CG 4.2Å; R155-R181 VanDerWaalsContact NH2-NH1 3.14Å; A177-R181 WeakPolarHBondContact O-CB 3.4Å; A177-R181 PolarHBondContact O-N 2.72Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3.01Å; R181-L184 PolarHBondContact O-N 2.7Å; R181-E185 HydrophobicContact CG-CG 4.09Å; R181-E185 IonicContact CZ-OE1 3.75Å; R181-E185 VanDerWaalsContact CZ-OE1 3.29Å; R181-E185 IonicContact CZ-OE2 2.76Å; R181-E185 VanDerWaalsContact NE-CD 3.32Å; R181-E185 IonicContact NE-OE1 2.75Å; R181-E185 PolarHBondContact NE-OE1 3.05Å; R181-E185 IonicContact NE-OE2 3.04Å; R181-E185 PolarHBondContact NE-OE2 3.27Å; R181-E185 IonicContact NH2-OE1 3.36Å; R181-E185 PolarHBondContact NH2-OE1 3.49Å; R181-E185 IonicContact NH2-OE2 3.19Å; R181-E185 PolarHBondContact NH2-OE2 3.12Å; R181-E185 WeakPolarHBondContact O-CB 3.33Å; R181-E185 PolarHBondContact O-N 3.4Å
182	A	98.4	Very high	98	Very high	63 Å²	63	61.3 Å²	61.3	52%	0.521	32%	0.317	S	S	.	.	H	α-helix	trans	-60	-38.7	178.1	0	0	0	0	0	112.6	E178 Q179 R180 G186	E178-A182 WeakPolarHBondContact O-CB 3.23Å; E178-A182 PolarHBondContact O-N 2.83Å; Q179-A182 PolarHBondContact O-N 2.81Å; R180-A182 PolarHBondContact O-N 3.1Å; A182-G186 PolarHBondContact O-N 2.86Å
183	Y	98.1	Very high	98	Very high	51 Å²	51	62.7 Å²	62.7	20%	0.2	32%	0.318	C	S	.	.	I	π-helix	trans	-66.9	-47.8	173.5	171.8	-95.5	0	0	0	112.1	F123 Q179 R180 R181 T187 C188	F123-Y183 AromaticContact CD2-CE1 3.8Å; F123-Y183 HydrophobicContact CD2-CE1 3.8Å; F123-Y183 AromaticContact CE2-CE1 3.78Å; F123-Y183 HydrophobicContact CE2-CE1 3.78Å; F123-Y183 AromaticContact CE2-CZ 3.95Å; Q179-Y183 PolarHBondContact O-N 3.32Å; Q179-Y183 VanDerWaalsContact O-N 3.09Å; R180-Y183 PolarHBondContact O-N 2.79Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3.01Å; Y183-T187 HydrophobicContact CD2-CG2 3.89Å; Y183-T187 HydrophobicContact CE2-CG2 3.7Å; Y183-T187 PolarHBondContact O-N 3.36Å; Y183-T187 VanDerWaalsContact O-N 3.16Å; Y183-C188 HydrophobicContact CD1-CB 4.29Å; Y183-C188 HydrophobicContact CE1-CB 3.84Å; Y183-C188 WeakPolarHBondContact O-CB 3.42Å; Y183-C188 PolarHBondContact O-N 3.15Å
184	L	98.5	Very high	97.9	Very high	3 Å²	3	64.3 Å²	64.3	2%	0.016	31%	0.305	C	S	.	.	I	π-helix	trans	-68.8	-39.7	-174.9	-70	171.1	0	0	0	112.8	G124 L150 L154 R180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.48Å; L150-L184 HydrophobicContact CD2-CD1 3.95Å; L154-L184 HydrophobicContact CD2-CD1 3.96Å; R180-L184 WeakPolarHBondContact O-CB 3.19Å; R180-L184 VanDerWaalsContact O-CG 3.24Å; R180-L184 WeakPolarHBondContact O-CG 3.29Å; R180-L184 PolarHBondContact O-N 2.89Å; R181-L184 PolarHBondContact O-N 2.7Å; L184-V189 WeakPolarHBondContact O-CG2 3.46Å
185	E	97.9	Very high	97.9	Very high	89 Å²	89	61.8 Å²	61.8	42%	0.416	29%	0.285	S	S	.	.	I	π-helix	trans	-79.4	-24.4	178	-69.2	-179	166.5	0	0	113.2	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.39Å; L133-E185 HydrophobicContact CD2-CG 3.68Å; L154-E185 HydrophobicContact CD1-CG 4.2Å; R181-E185 HydrophobicContact CG-CG 4.09Å; R181-E185 IonicContact CZ-OE1 3.75Å; R181-E185 VanDerWaalsContact CZ-OE1 3.29Å; R181-E185 IonicContact CZ-OE2 2.76Å; R181-E185 VanDerWaalsContact NE-CD 3.32Å; R181-E185 IonicContact NE-OE1 2.75Å; R181-E185 PolarHBondContact NE-OE1 3.05Å; R181-E185 IonicContact NE-OE2 3.04Å; R181-E185 PolarHBondContact NE-OE2 3.27Å; R181-E185 IonicContact NH2-OE1 3.36Å; R181-E185 PolarHBondContact NH2-OE1 3.49Å; R181-E185 IonicContact NH2-OE2 3.19Å; R181-E185 PolarHBondContact NH2-OE2 3.12Å; R181-E185 WeakPolarHBondContact O-CB 3.33Å; R181-E185 PolarHBondContact O-N 3.4Å
186	G	97.8	Very high	97.8	Very high	23 Å²	23	55 Å²	55	24%	0.237	26%	0.26	C	S	.	.	I	π-helix	trans	-110.2	-91.9	-177.6	0	0	0	0	0	112.5	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.86Å; G186-C188 VanDerWaalsContact C-N 3.3Å; G186-C188 PolarHBondContact O-N 2.84Å; G186-C188 VanDerWaalsContact O-N 3.17Å; G186-V189 WeakPolarHBondContact O-CB 3.24Å; G186-V189 PolarHBondContact O-N 2.88Å; G186-E190 PolarHBondContact O-N 3.11Å
187	T	97.8	Very high	97.7	Very high	53 Å²	53	58.5 Å²	58.5	33%	0.325	28%	0.277	S	S	.	.	I	π-helix	trans	-50	-45	-172.2	-55.1	0	0	0	0	113.2	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.89Å; Y183-T187 HydrophobicContact CE2-CG2 3.7Å; Y183-T187 PolarHBondContact O-N 3.36Å; Y183-T187 VanDerWaalsContact O-N 3.16Å; T187-V189 PolarHBondContact O-N 3.21Å; T187-E190 PolarHBondContact O-N 3.37Å; T187-W191 VanDerWaalsContact CG2-CD1 3.49Å; T187-W191 PolarHBondContact O-N 2.77Å
188	C	98.4	Very high	97.6	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.5	-48.5	-179.5	-170.9	0	0	0	0	111.6	M29 C125 Y183 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.21Å; M29-C188 VanDerWaalsContact CE-O 3.22Å; M29-C188 WeakPolarHBondContact CE-O 3.35Å; M29-C188 WeakPolarHBondContact CE-SG 3.4Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.33Å; C125-C188 PolarHBondContact N-SG 2.99Å; C125-C188 VanDerWaalsContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.05Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.84Å; Y183-C188 HydrophobicContact CD1-CB 4.29Å; Y183-C188 HydrophobicContact CE1-CB 3.84Å; Y183-C188 WeakPolarHBondContact O-CB 3.42Å; Y183-C188 PolarHBondContact O-N 3.15Å; G186-C188 VanDerWaalsContact C-N 3.3Å; G186-C188 PolarHBondContact O-N 2.84Å; G186-C188 VanDerWaalsContact O-N 3.17Å; C188-E190 PolarHBondContact O-N 3.32Å; C188-W191 PolarHBondContact O-N 2.89Å; C188-L192 WeakPolarHBondContact O-CB 3.41Å; C188-L192 PolarHBondContact O-N 2.83Å
189	V	98.2	Very high	97.5	Very high	8 Å²	8	55.2 Å²	55.2	5%	0.048	26%	0.262	C	S	.	.	H	α-helix	trans	-61.8	-44.6	178.1	175.8	0	0	0	0	111.1	L127 L133 L184 G186 T187 L192 R193	L127-V189 HydrophobicContact CD2-CB 4.16Å; L127-V189 HydrophobicContact CD2-CG1 3.75Å; L127-V189 HydrophobicContact CD2-CG2 3.83Å; L133-V189 HydrophobicContact CB-CG2 4.02Å; L133-V189 HydrophobicContact CD1-CG2 4.09Å; L184-V189 WeakPolarHBondContact O-CG2 3.46Å; G186-V189 WeakPolarHBondContact O-CB 3.24Å; G186-V189 PolarHBondContact O-N 2.88Å; T187-V189 PolarHBondContact O-N 3.21Å; V189-L192 PolarHBondContact O-N 3.25Å; V189-R193 WeakPolarHBondContact O-CG 3.46Å; V189-R193 PolarHBondContact O-N 2.97Å
190	E	98	Very high	97.3	Very high	127 Å²	127	54.7 Å²	54.7	59%	0.593	26%	0.258	S	S	*	.	H	α-helix	trans	-61.6	-46.1	179.5	-71	176.7	178.3	0	0	112.2	G186 T187 C188 R194	G186-E190 PolarHBondContact O-N 3.11Å; T187-E190 PolarHBondContact O-N 3.37Å; C188-E190 PolarHBondContact O-N 3.32Å; E190-R194 PolarHBondContact O-N 3.34Å; E190-R194 VanDerWaalsContact O-N 3.1Å
191	W	98	Very high	97	Very high	45 Å²	45	60.2 Å²	60.2	17%	0.17	29%	0.286	C	S	.	.	H	α-helix	trans	-68.4	-42.7	178.6	-82.4	102.1	0	0	0	112.3	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.04Å; M29-W191 HydrophobicContact SD-CB 4.41Å; Y83-W191 AromaticContact CD2-CH2 3.51Å; Y83-W191 HydrophobicContact CD2-CH2 3.51Å; Y83-W191 HydrophobicContact CD2-CZ2 4.22Å; Y83-W191 AromaticContact CD2-CZ3 3.79Å; Y83-W191 HydrophobicContact CD2-CZ3 3.79Å; Y83-W191 HydrophobicContact CE2-CE3 4.27Å; Y83-W191 AromaticContact CE2-CH2 3.85Å; Y83-W191 HydrophobicContact CE2-CH2 3.85Å; Y83-W191 HydrophobicContact CE2-CZ2 4.46Å; Y83-W191 AromaticContact CE2-CZ3 3.73Å; Y83-W191 HydrophobicContact CE2-CZ3 3.73Å; T187-W191 VanDerWaalsContact CG2-CD1 3.49Å; T187-W191 PolarHBondContact O-N 2.77Å; C188-W191 PolarHBondContact O-N 2.89Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 2.91Å; W191-R194 WeakPolarHBondContact O-CB 3.45Å; W191-R194 PolarHBondContact O-N 3.18Å; W191-R194 VanDerWaalsContact O-N 3.16Å; W191-Y195 HydrophobicContact CB-CE2 4.01Å; W191-Y195 HydrophobicContact CE3-CD1 4.43Å; W191-Y195 AromaticContact CE3-CE1 3.55Å; W191-Y195 HydrophobicContact CE3-CE1 3.55Å; W191-Y195 HydrophobicContact CE3-CE2 4.17Å; W191-Y195 AromaticContact CE3-CZ 3.38Å; W191-Y195 AromaticContact CZ3-CE1 3.91Å; W191-Y195 HydrophobicContact CZ3-CE1 3.91Å; W191-Y195 VanDerWaalsContact O-CD2 3.26Å; W191-Y195 WeakPolarHBondContact O-CD2 3.33Å; W191-Y195 VanDerWaalsContact O-CG 3.26Å; W191-Y195 PolarHBondContact O-N 3.06Å
192	L	98.2	Very high	96.6	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.8	-44.8	176.9	175.1	50.3	0	0	0	111.2	H27 M29 V52 L127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.46Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.95Å; M29-L192 HydrophobicContact CB-CG 4.24Å; M29-L192 HydrophobicContact CE-CB 4.3Å; M29-L192 HydrophobicContact SD-CB 4.43Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.27Å; L127-L192 HydrophobicContact CD1-CB 4.26Å; L127-L192 HydrophobicContact CD1-CD2 3.69Å; L127-L192 HydrophobicContact CD1-CG 3.73Å; L127-L192 HydrophobicContact CD2-CD2 4.49Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.2Å; C188-L192 WeakPolarHBondContact O-CB 3.41Å; C188-L192 PolarHBondContact O-N 2.83Å; V189-L192 PolarHBondContact O-N 3.25Å; L192-R194 VanDerWaalsContact C-N 3.35Å; L192-R194 PolarHBondContact O-N 2.8Å; L192-Y195 PolarHBondContact O-N 2.97Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.38Å; L192-L196 HydrophobicContact CD1-CG 3.84Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.48Å; L192-L196 WeakPolarHBondContact O-CB 3.41Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.36Å; L192-L196 PolarHBondContact O-N 3.09Å
193	R	96.8	Very high	96.3	Very high	123 Å²	123	55.9 Å²	55.9	46%	0.464	26%	0.261	S	S	.	.	H	α-helix	trans	-59.4	-43.5	174.3	-72.2	175.2	-176.8	166	-0.4	112.6	L127 G131 V189 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.94Å; G131-R193 VanDerWaalsContact O-CZ 3.27Å; G131-R193 PolarHBondContact O-NE 2.63Å; G131-R193 PolarHBondContact O-NH2 3.01Å; V189-R193 WeakPolarHBondContact O-CG 3.46Å; V189-R193 PolarHBondContact O-N 2.97Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 2.91Å; R193-L196 PolarHBondContact O-N 3.29Å; R193-E197 PolarHBondContact O-N 2.89Å
194	R	97.1	Very high	95.8	Very high	121 Å²	121	57.9 Å²	57.9	46%	0.457	27%	0.272	S	S	.	.	H	α-helix	trans	-61.2	-43.8	176.4	177.7	180	174.5	120.2	-4.1	111.5	E79 E190 W191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.34Å; E79-R194 IonicContact OE1-CZ 3.51Å; E79-R194 IonicContact OE1-NE 3.11Å; E79-R194 PolarHBondContact OE1-NE 3.18Å; E79-R194 IonicContact OE1-NH2 2.73Å; E79-R194 PolarHBondContact OE1-NH2 3.04Å; E79-R194 VanDerWaalsContact OE1-NH2 3.16Å; E79-R194 IonicContact OE2-CZ 3.45Å; E79-R194 IonicContact OE2-NE 3.71Å; E79-R194 IonicContact OE2-NH2 3.44Å; E79-R194 PolarHBondContact OE2-NH2 3.44Å; E190-R194 PolarHBondContact O-N 3.34Å; E190-R194 VanDerWaalsContact O-N 3.1Å; W191-R194 WeakPolarHBondContact O-CB 3.45Å; W191-R194 PolarHBondContact O-N 3.18Å; W191-R194 VanDerWaalsContact O-N 3.16Å; L192-R194 VanDerWaalsContact C-N 3.35Å; L192-R194 PolarHBondContact O-N 2.8Å; R194-E197 PolarHBondContact O-N 3.41Å; R194-N198 WeakPolarHBondContact O-CB 3.35Å; R194-N198 PolarHBondContact O-N 3.34Å; R194-N198 PolarHBondContact O-OD1 2.85Å
195	Y	97.4	Very high	95.5	Very high	1 Å²	1	61.9 Å²	61.9	0%	0.004	29%	0.287	C	S	.	.	H	α-helix	trans	-68	-39.2	178.9	-62.4	-33	0	0	0	112.5	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.73Å; M29-Y195 HydrophobicContact SD-CE2 3.6Å; M29-Y195 VanDerWaalsContact SD-CE2 3.6Å; V52-Y195 HydrophobicContact CG2-CD2 3.99Å; V52-Y195 HydrophobicContact CG2-CG 4.47Å; F57-Y195 HydrophobicContact CD2-CE2 4.47Å; F57-Y195 HydrophobicContact CE2-CD2 4.3Å; F57-Y195 AromaticContact CE2-CE2 3.65Å; F57-Y195 HydrophobicContact CE2-CE2 3.65Å; F57-Y195 AromaticContact CE2-CZ 3.86Å; F57-Y195 HydrophobicContact CZ-CD2 4.36Å; F57-Y195 AromaticContact CZ-CE2 3.83Å; F57-Y195 HydrophobicContact CZ-CE2 3.83Å; W75-Y195 HydrophobicContact CE3-CD1 4.19Å; W75-Y195 HydrophobicContact CE3-CG 4.44Å; W75-Y195 HydrophobicContact CH2-CG 4.15Å; W75-Y195 AromaticContact CZ3-CD1 3.57Å; W75-Y195 HydrophobicContact CZ3-CD1 3.57Å; W75-Y195 HydrophobicContact CZ3-CD2 4.28Å; W75-Y195 HydrophobicContact CZ3-CE1 4.28Å; W75-Y195 AromaticContact CZ3-CG 3.57Å; W75-Y195 HydrophobicContact CZ3-CG 3.57Å; V76-Y195 HydrophobicContact CG2-CE1 4.39Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.5Å; Y83-Y195 PolarHBondContact OH-OH 3.32Å; W191-Y195 HydrophobicContact CB-CE2 4.01Å; W191-Y195 HydrophobicContact CE3-CD1 4.43Å; W191-Y195 AromaticContact CE3-CE1 3.55Å; W191-Y195 HydrophobicContact CE3-CE1 3.55Å; W191-Y195 HydrophobicContact CE3-CE2 4.17Å; W191-Y195 AromaticContact CE3-CZ 3.38Å; W191-Y195 AromaticContact CZ3-CE1 3.91Å; W191-Y195 HydrophobicContact CZ3-CE1 3.91Å; W191-Y195 VanDerWaalsContact O-CD2 3.26Å; W191-Y195 WeakPolarHBondContact O-CD2 3.33Å; W191-Y195 VanDerWaalsContact O-CG 3.26Å; W191-Y195 PolarHBondContact O-N 3.06Å; L192-Y195 PolarHBondContact O-N 2.97Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 3.15Å; Y195-N198 PolarHBondContact O-N 3.08Å; Y195-G199 WeakPolarHBondContact O-CA 3.47Å; Y195-G199 PolarHBondContact O-N 2.74Å; Y195-L203 WeakPolarHBondContact O-CD1 3.35Å
196	L	95.9	Very high	95.2	Very high	15 Å²	15	59.5 Å²	59.5	8%	0.079	28%	0.283	C	S	.	.	H	α-helix	trans	-62.6	-35.8	174.4	-71.3	169.2	0	0	0	112.4	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.13Å; V52-L196 HydrophobicContact CG1-CD2 4.1Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.38Å; L192-L196 HydrophobicContact CD1-CG 3.84Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.48Å; L192-L196 WeakPolarHBondContact O-CB 3.41Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.36Å; L192-L196 PolarHBondContact O-N 3.09Å; R193-L196 PolarHBondContact O-N 3.29Å; L196-K200 WeakPolarHBondContact O-CA 3.19Å; L196-K200 WeakPolarHBondContact O-CB 3.37Å; L196-K200 PolarHBondContact O-N 2.84Å; L196-K200 VanDerWaalsContact O-N 3.12Å; L196-L203 HydrophobicContact CD2-CB 4.13Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; L196-Q204 PolarHBondContact O-NE2 2.93Å
197	E	95.8	Very high	95	Very high	127 Å²	127	61.5 Å²	61.5	59%	0.593	29%	0.286	S	S	*	.	H	α-helix	trans	-72.2	-48.4	174.4	-171.5	60	-151.4	0	0	111.2	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.89Å; R194-E197 PolarHBondContact O-N 3.41Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 3.15Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 3.13Å; E197-K200 WeakPolarHBondContact O-CB 3.33Å; E197-K200 PolarHBondContact O-N 3.03Å
198	N	96.6	Very high	94.9	Very high	51 Å²	51	63.7 Å²	63.7	27%	0.273	29%	0.292	S	S	.	.	H	α-helix	trans	-60.7	-39.5	179.1	-70.9	-4.9	0	0	0	112.6	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.38Å; Q78-N198 VanDerWaalsContact NE2-CB 3.3Å; Q78-N198 PolarHBondContact NE2-ND2 2.9Å; Q78-N198 PolarHBondContact NE2-OD1 3.19Å; E79-N198 PolarHBondContact OE1-ND2 2.92Å; R194-N198 WeakPolarHBondContact O-CB 3.35Å; R194-N198 PolarHBondContact O-N 3.34Å; R194-N198 PolarHBondContact O-OD1 2.85Å; Y195-N198 PolarHBondContact O-N 3.08Å
199	G	95.4	Very high	94.9	Very high	2 Å²	2	64 Å²	64	2%	0.021	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	19.5	-175.5	0	0	0	0	0	113.7	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.47Å; Y195-G199 PolarHBondContact O-N 2.74Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 3.13Å; G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 2.04Å; G199-E201 VanDerWaalsContact O-N 3.16Å; G199-T202 CarbonylContact O-C 3.49Å; G199-T202 PolarHBondContact O-N 2.91Å; G199-T202 PolarHBondContact O-OG1 2.74Å; G199-L203 WeakPolarHBondContact O-CB 3.15Å; G199-L203 PolarHBondContact O-N 2.88Å
200	K	93.3	Very high	94.9	Very high	110 Å²	110	71.1 Å²	71.1	48%	0.478	33%	0.325	S	S	.	.	H	α-helix	trans	-49.2	-45	-171.7	-176.7	173	-174.7	173.3	0	113.9	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.19Å; L196-K200 WeakPolarHBondContact O-CB 3.37Å; L196-K200 PolarHBondContact O-N 2.84Å; L196-K200 VanDerWaalsContact O-N 3.12Å; E197-K200 WeakPolarHBondContact O-CB 3.33Å; E197-K200 PolarHBondContact O-N 3.03Å; K200-T202 PolarHBondContact O-N 3.03Å; K200-Q204 WeakPolarHBondContact O-CB 3.34Å; K200-Q204 PolarHBondContact O-N 2.84Å; K200-Q204 VanDerWaalsContact O-N 3.15Å
201	E	90.8	Very high	94.9	Very high	179 Å²	179	66.8 Å²	66.8	84%	0.836	31%	0.307	S	S	*	.	H	α-helix	trans	-64.3	-25	-180	-62.4	-175.5	166.9	0	0	113.5	G199	G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 2.04Å; G199-E201 VanDerWaalsContact O-N 3.16Å
202	T	90.4	Very high	94.8	Very high	42 Å²	42	68.4 Å²	68.4	26%	0.258	32%	0.317	S	S	.	.	H	α-helix	trans	-104.4	-35.8	-177.4	52.4	0	0	0	0	114	W75 G199 K200 R205	W75-T202 VanDerWaalsContact CD1-OG1 3.23Å; G199-T202 CarbonylContact O-C 3.49Å; G199-T202 PolarHBondContact O-N 2.91Å; G199-T202 PolarHBondContact O-OG1 2.74Å; K200-T202 PolarHBondContact O-N 3.03Å; T202-R205 WeakPolarHBondContact O-CG 3.45Å; T202-R205 PolarHBondContact O-NE 3.37Å
203	L	91.6	Very high	94.8	Very high	4 Å²	4	69.4 Å²	69.4	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-93.1	-30.5	-172.3	-64.4	172.5	0	0	0	112.3	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.28Å; V52-L203 HydrophobicContact CB-CD2 4.15Å; V52-L203 HydrophobicContact CG1-CD1 3.86Å; V52-L203 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CG1-CG 4.49Å; T55-L203 HydrophobicContact CG2-CD2 4.15Å; W75-L203 HydrophobicContact CD2-CD1 4.44Å; W75-L203 HydrophobicContact CH2-CD1 4.41Å; W75-L203 HydrophobicContact CZ2-CD1 3.87Å; W75-L203 HydrophobicContact CZ2-CD2 4.14Å; W75-L203 HydrophobicContact CZ2-CG 4.42Å; Y195-L203 WeakPolarHBondContact O-CD1 3.35Å; L196-L203 HydrophobicContact CD2-CB 4.13Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; G199-L203 WeakPolarHBondContact O-CB 3.15Å; G199-L203 PolarHBondContact O-N 2.88Å
204	Q	89.2	Confident	94.8	Very high	92 Å²	92	65.2 Å²	65.2	43%	0.43	31%	0.311	S	S	.	.	S	Bend	trans	-102	23	178.5	-57.3	178.2	33.7	0	0	111.7	L196 K200	L196-Q204 PolarHBondContact O-NE2 2.93Å; K200-Q204 WeakPolarHBondContact O-CB 3.34Å; K200-Q204 PolarHBondContact O-N 2.84Å; K200-Q204 VanDerWaalsContact O-N 3.15Å
205	R	90.3	Very high	94.7	Very high	87 Å²	87	62 Å²	62	33%	0.328	30%	0.3	S	S	.	.			trans	-95.4	148.4	171.1	78.8	-172.4	176	-168.9	8.5	109.1	T202 E207 Y233	T202-R205 WeakPolarHBondContact O-CG 3.45Å; T202-R205 PolarHBondContact O-NE 3.37Å; R205-E207 IonicContact CZ-OE1 2.91Å; R205-E207 IonicContact NE-OE1 3.75Å; R205-E207 PolarHBondContact NE-OE1 3.08Å; R205-E207 VanDerWaalsContact NE-OE1 3.15Å; R205-E207 IonicContact NH1-OE1 3.14Å; R205-E207 IonicContact NH2-OE1 2.8Å; R205-E207 PolarHBondContact NH2-OE1 2.92Å; R205-Y233 HydrophobicContact CG-CD1 4.15Å; R205-Y233 WeakPolarHBondContact O-CD1 3.02Å
206	A	92.3	Very high	94.6	Very high	40 Å²	40	65.6 Å²	65.6	33%	0.331	32%	0.317	S	S	.	.			trans	-119.9	122.8	164.4	0	0	0	0	0	108.6	Y233	A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 WeakPolarHBondContact CA-O 3.17Å
207	E	94.3	Very high	94.5	Very high	65 Å²	65	69.8 Å²	69.8	30%	0.304	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-99.8	119.7	174.5	-67.3	-173.4	-142.6	0	0	108.5	R205 F232 Y233 T264 H287	R205-E207 IonicContact CZ-OE1 2.91Å; R205-E207 IonicContact NE-OE1 3.75Å; R205-E207 PolarHBondContact NE-OE1 3.08Å; R205-E207 VanDerWaalsContact NE-OE1 3.15Å; R205-E207 IonicContact NH1-OE1 3.14Å; R205-E207 IonicContact NH2-OE1 2.8Å; R205-E207 PolarHBondContact NH2-OE1 2.92Å; E207-F232 WeakPolarHBondContact O-CA 3.44Å; E207-F232 WeakPolarHBondContact O-CB 3.25Å; E207-Y233 PolarHBondContact N-O 2.86Å; E207-Y233 PolarHBondContact O-N 2.86Å; E207-Y233 VanDerWaalsContact O-N 3.08Å; E207-T264 WeakPolarHBondContact OE2-CG2 3.38Å; E207-H287 PolarHBondContact O-CE1 3.41Å
208	H	95.5	Very high	94.3	Very high	98 Å²	98	68.2 Å²	68.2	45%	0.454	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-69.9	145.2	-177.9	-56.7	-105.1	0	0	0	111.8	K210 G289 L290	H208-K210 PolarHBondContact O-N 2.81Å; H208-G289 PolarHBondContact CE1-O 3.42Å; H208-G289 PolarHBondContact ND1-O 3.36Å; H208-G289 PolarHBondContact NE2-O 3.12Å; H208-L290 HydrophobicContact CB-CD2 4.16Å; H208-L290 WeakPolarHBondContact ND1-CA 3.47Å; H208-L290 PolarHBondContact ND1-N 3.01Å
209	P	97.7	Very high	94.1	Very high	8 Å²	8	68.3 Å²	68.3	5%	0.052	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-68.3	129.7	176.9	28.3	-34.5	0	0	0	111.6	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.9Å; P209-T211 HydrophobicContact CG-CG2 4.14Å; P209-T211 PolarHBondContact O-N 2.93Å; P209-A229 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.17Å; P209-I237 HydrophobicContact CB-CD1 4.03Å; P209-I237 HydrophobicContact CG-CD1 4.15Å; P209-V285 HydrophobicContact CG-CG1 3.96Å; P209-H287 HydrophobicContact CG-CB 4.04Å; P209-L290 HydrophobicContact CG-CD1 3.86Å; P209-L290 HydrophobicContact CG-CD2 4.47Å; P209-L290 HydrophobicContact CG-CG 4.22Å
210	K	97.9	Very high	93.8	Very high	157 Å²	157	75.4 Å²	75.4	68%	0.683	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	111.7	164.1	-65.2	171.4	-172.7	164.8	0	107.6	H208 L230	H208-K210 PolarHBondContact O-N 2.81Å; K210-L230 HydrophobicContact CB-CB 4.48Å; K210-L230 PolarHBondContact N-O 2.81Å; K210-L230 PolarHBondContact O-N 2.75Å
211	T	97.9	Very high	93.7	Very high	35 Å²	35	77 Å²	77	22%	0.215	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	145.9	-171.3	56.7	0	0	0	0	112.5	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.9Å; P209-T211 HydrophobicContact CG-CG2 4.14Å; P209-T211 PolarHBondContact O-N 2.93Å; T211-W228 WeakPolarHBondContact CA-O 3.45Å; T211-W228 WeakPolarHBondContact CB-O 3.44Å; T211-A229 HydrophobicContact CG2-CB 4.24Å; T211-V285 HydrophobicContact CG2-CB 4.48Å; T211-V285 HydrophobicContact CG2-CG1 4.18Å; T211-V285 HydrophobicContact CG2-CG2 4.09Å; T211-L294 HydrophobicContact CG2-CD1 4.44Å; T211-L296 VanDerWaalsContact CB-CD1 3.42Å; T211-L296 HydrophobicContact CG2-CD1 4.14Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.27Å
212	H	97.1	Very high	93.9	Very high	80 Å²	80	73 Å²	73	37%	0.37	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	160.1	172.8	62.5	-75.7	0	0	0	110.2	W228	H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.04Å; H212-W228 AromaticContact CE1-CG 3.73Å; H212-W228 PolarHBondContact N-O 3.38Å; H212-W228 AromaticContact NE2-CD1 3.56Å; H212-W228 AromaticContact NE2-CG 3.74Å; H212-W228 PolarHBondContact O-N 3.21Å
213	V	98.1	Very high	94.2	Very high	21 Å²	21	71 Å²	71	13%	0.127	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	124.6	176.2	-179.5	0	0	0	0	109.4	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.33Å; V213-L225 HydrophobicContact CG1-CD2 4.38Å; V213-R226 CarbonylContact C-O 3.55Å; V213-R226 WeakPolarHBondContact CA-O 3.36Å; V213-C227 HydrophobicContact CG2-CB 4.43Å; V213-W241 HydrophobicContact CG1-CH2 3.85Å; V213-W241 HydrophobicContact CG1-CZ2 4.28Å; V213-W241 HydrophobicContact CG2-CH2 4.28Å; V213-L296 HydrophobicContact CG2-CB 3.94Å; V213-W298 HydrophobicContact CB-CB 4.45Å; V213-W298 HydrophobicContact CG1-CB 3.84Å
214	T	96.6	Very high	94.4	Very high	34 Å²	34	71.9 Å²	71.9	21%	0.209	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	147.7	172.1	62.8	0	0	0	0	110.7	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-NE2 3.01Å; T214-L225 WeakPolarHBondContact O-CA 3.24Å; T214-R226 PolarHBondContact N-O 3.09Å; T214-R226 PolarHBondContact O-N 3.43Å; T214-W228 PolarHBondContact OG1-NE1 2.64Å
215	H	95.8	Very high	94.8	Very high	53 Å²	53	67.5 Å²	67.5	25%	0.245	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.1	178.8	169.6	-92.5	0	0	0	109.6	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.31Å; H215-L225 HydrophobicContact CB-CD2 4Å; H215-E278 IonicContact NE2-OE1 3.29Å; H215-W298 HydrophobicContact CB-CD2 4.1Å; H215-W298 HydrophobicContact CB-CG 4.16Å; H215-W298 HydrophobicContact CB-CZ2 3.99Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å; H215-W298 AromaticContact CG-CE2 3.78Å; H215-W298 AromaticContact CG-CZ2 3.78Å; H215-W298 AromaticContact ND1-CZ2 3.96Å
216	H	94.7	Very high	95.2	Very high	78 Å²	78	65.9 Å²	65.9	36%	0.361	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	103.8	-178.5	-56.9	-68.4	0	0	0	109.3	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-NE2 3.01Å; H216-V218 PolarHBondContact O-N 3.37Å; H216-A223 CarbonylContact O-C 3.58Å; H216-A223 WeakPolarHBondContact O-CA 3.33Å; H216-T224 PolarHBondContact N-O 2.84Å; H216-T224 PolarHBondContact O-N 3.24Å; H216-R226 PolarHBondContact CD2-NH1 3.15Å; H216-R226 VanDerWaalsContact CD2-NH1 3.32Å; H216-R226 PolarHBondContact NE2-NH1 2.8Å; H216-R226 VanDerWaalsContact NE2-NH1 3.14Å
217	P	93.8	Very high	95.5	Very high	102 Å²	102	64 Å²	64	66%	0.662	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.4	131.9	173.9	-19.7	30	0	0	0	110.7
218	V	91.2	Very high	95.7	Very high	94 Å²	94	63.2 Å²	63.2	57%	0.57	32%	0.322	S	S	*	.			trans	-105.1	-42.8	175.9	-179	0	0	0	0	110	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.37Å; V218-E222 PolarHBondContact N-O 2.79Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.48Å
219	S	91.8	Very high	95.8	Very high	53 Å²	53	58.6 Å²	58.6	37%	0.371	30%	0.301	S	S	.	.	S	Bend	trans	-146.6	-177.7	175.5	72.8	0	0	0	0	110.6	H221 E222	S219-H221 PolarHBondContact O-N 3.25Å; S219-H221 PolarHBondContact OG-N 2.88Å; S219-E222 PolarHBondContact N-O 3.11Å; S219-E222 VanDerWaalsContact O-O 3.11Å; S219-E222 PolarHBondContact OG-N 3.22Å
220	D	89	Confident	95.9	Very high	151 Å²	151	60.8 Å²	60.8	81%	0.807	31%	0.312	S	S	*	.	S	Bend	trans	-67.3	-9.3	172.8	-65.6	-22.3	0	0	0	113.3
221	H	92.4	Very high	95.8	Very high	144 Å²	144	54.1 Å²	54.1	67%	0.667	29%	0.288	S	S	*	.	S	Bend	trans	-117.2	-15.8	-175.4	-54.6	-43.5	0	0	0	113.4	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.25Å; S219-H221 PolarHBondContact OG-N 2.88Å; H221-P274 WeakPolarHBondContact O-CA 3.17Å; H221-S275 PolarHBondContact O-N 3.49Å; H221-S275 PolarHBondContact O-OG 3.02Å
222	E	94.8	Very high	95.8	Very high	95 Å²	95	52.5 Å²	52.5	44%	0.444	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	144.3	-170.9	-67.2	178.5	173.5	0	0	112	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.79Å; S219-E222 PolarHBondContact N-O 3.11Å; S219-E222 VanDerWaalsContact O-O 3.11Å; S219-E222 PolarHBondContact OG-N 3.22Å; E222-V272 HydrophobicContact CB-CG1 4.13Å; E222-V272 HydrophobicContact CG-CG1 4.34Å; E222-V273 WeakPolarHBondContact CA-O 3.47Å; E222-S275 PolarHBondContact N-OG 3.49Å
223	A	95.6	Very high	95.7	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	156.3	171.1	0	0	0	0	0	110.7	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.31Å; H216-A223 CarbonylContact O-C 3.58Å; H216-A223 WeakPolarHBondContact O-CA 3.33Å; A223-V272 WeakPolarHBondContact O-CA 3.28Å; A223-V273 HydrophobicContact CB-CG2 4.47Å; A223-V273 PolarHBondContact N-O 3.35Å; A223-V273 WeakPolarHBondContact O-CG2 3.45Å; A223-V273 PolarHBondContact O-N 3.09Å
224	T	97.1	Very high	95.6	Very high	22 Å²	22	48.6 Å²	48.6	14%	0.135	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	123.2	169.7	-54.5	0	0	0	0	109.4	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 2.84Å; H216-T224 PolarHBondContact O-N 3.24Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.48Å; T224-A270 HydrophobicContact CG2-CB 3.93Å; T224-V271 WeakPolarHBondContact CA-O 3.33Å
225	L	97.7	Very high	95.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	129.9	164.9	-63.3	-176.9	0	0	0	108.9	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.33Å; V213-L225 HydrophobicContact CG1-CD2 4.38Å; T214-L225 WeakPolarHBondContact O-CA 3.24Å; H215-L225 HydrophobicContact CB-CD2 4Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.79Å; L225-W241 HydrophobicContact CB-CZ3 4.5Å; L225-W241 HydrophobicContact CD1-CH2 4.02Å; L225-W241 HydrophobicContact CD1-CZ3 4.2Å; L225-A270 CarbonylContact O-C 3.57Å; L225-A270 WeakPolarHBondContact O-CA 3.29Å; L225-V271 HydrophobicContact CB-CG2 4.19Å; L225-V271 PolarHBondContact N-O 3.24Å; L225-V271 PolarHBondContact O-N 3.01Å; L225-V273 HydrophobicContact CD1-CG1 4.05Å; L225-V273 HydrophobicContact CD1-CG2 4.05Å; L225-V273 HydrophobicContact CG-CG1 4.2Å; L225-V273 HydrophobicContact CG-CG2 3.83Å; L225-E278 HydrophobicContact CD1-CB 4.12Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.37Å; L225-W298 HydrophobicContact CD1-CB 4.45Å; L225-W298 HydrophobicContact CD2-CB 3.86Å; L225-W298 HydrophobicContact CD2-CD2 4.37Å; L225-W298 HydrophobicContact CD2-CG 3.98Å
226	R	98.1	Very high	95.5	Very high	53 Å²	53	52.1 Å²	52.1	20%	0.2	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	117.5	176.5	-176.5	178.7	-65.5	114.7	0.8	110.3	V213 T214 H216 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.55Å; V213-R226 WeakPolarHBondContact CA-O 3.36Å; T214-R226 PolarHBondContact N-O 3.09Å; T214-R226 PolarHBondContact O-N 3.43Å; H216-R226 PolarHBondContact CD2-NH1 3.15Å; H216-R226 VanDerWaalsContact CD2-NH1 3.32Å; H216-R226 PolarHBondContact NE2-NH1 2.8Å; H216-R226 VanDerWaalsContact NE2-NH1 3.14Å; R226-W228 VanDerWaalsContact CD-NE1 3.35Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; R226-W268 HydrophobicContact CG-CB 3.99Å; R226-W268 HydrophobicContact CG-CD2 4.09Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.19Å; R226-A269 WeakPolarHBondContact CA-O 3.48Å; R226-A270 HydrophobicContact CB-CB 4.08Å; R226-A270 HydrophobicContact CG-CB 4.15Å
227	C	98.3	Very high	95.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	121.7	174.7	-173.2	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.43Å; C227-W241 HydrophobicContact CB-CH2 4.5Å; C227-W241 HydrophobicContact CB-CZ2 3.65Å; C227-W268 CarbonylContact O-C 3.45Å; C227-W268 WeakPolarHBondContact O-CA 3.42Å; C227-W268 WeakPolarHBondContact O-CB 3.48Å; C227-A269 PolarHBondContact N-O 3.11Å; C227-A269 PolarHBondContact O-N 3.46Å; C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.48Å; C227-C283 WeakPolarHBondContact SG-CB 3.34Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.17Å
228	W	98.4	Very high	95.8	Very high	49 Å²	49	47 Å²	47	19%	0.186	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	141.2	179.6	-70.6	89.1	0	0	0	110.7	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.45Å; T211-W228 WeakPolarHBondContact CB-O 3.44Å; H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.04Å; H212-W228 AromaticContact CE1-CG 3.73Å; H212-W228 PolarHBondContact N-O 3.38Å; H212-W228 AromaticContact NE2-CD1 3.56Å; H212-W228 AromaticContact NE2-CG 3.74Å; H212-W228 PolarHBondContact O-N 3.21Å; T214-W228 PolarHBondContact OG1-NE1 2.64Å; R226-W228 VanDerWaalsContact CD-NE1 3.35Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; W228-L230 HydrophobicContact CE3-CD2 3.85Å; W228-L230 HydrophobicContact CZ3-CD2 4.39Å; W228-W268 HydrophobicContact CD2-CB 3.93Å; W228-W268 HydrophobicContact CD2-CG 4.43Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.87Å; W228-W268 HydrophobicContact CE3-CG 4.19Å; W228-W268 HydrophobicContact CG-CB 4.35Å; W228-W268 AromaticContact CH2-CD1 3.6Å; W228-W268 HydrophobicContact CH2-CG 4.25Å; W228-W268 HydrophobicContact CZ2-CG 4.48Å; W228-W268 HydrophobicContact CZ3-CB 4.31Å; W228-W268 AromaticContact CZ3-CD1 3.41Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.41Å; W228-W268 HydrophobicContact CZ3-CG 4.11Å
229	A	98.5	Very high	96.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	123.4	162.5	0	0	0	0	0	107.9	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.88Å; T211-A229 HydrophobicContact CG2-CB 4.24Å; A229-F232 HydrophobicContact CB-CD1 4.05Å; A229-F232 HydrophobicContact CB-CE1 3.8Å; A229-F232 WeakPolarHBondContact O-CE1 3.16Å; A229-I237 HydrophobicContact CB-CD1 3.69Å; A229-L239 HydrophobicContact CB-CD1 4.04Å; A229-L239 HydrophobicContact CB-CD2 4.19Å; A229-Q266 CarbonylContact O-C 3.55Å; A229-Q266 VanDerWaalsContact O-CA 3.28Å; A229-Q266 WeakPolarHBondContact O-CA 3.09Å; A229-K267 PolarHBondContact N-O 2.7Å; A229-K267 PolarHBondContact O-N 3.01Å; A229-K267 VanDerWaalsContact O-O 3.09Å
230	L	98.3	Very high	96.3	Very high	54 Å²	54	42.1 Å²	42.1	28%	0.283	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	147	-175	-58.4	177.4	0	0	0	111	K210 W228 Q266	K210-L230 HydrophobicContact CB-CB 4.48Å; K210-L230 PolarHBondContact N-O 2.81Å; K210-L230 PolarHBondContact O-N 2.75Å; W228-L230 HydrophobicContact CE3-CD2 3.85Å; W228-L230 HydrophobicContact CZ3-CD2 4.39Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å
231	G	97.4	Very high	96.8	Very high	18 Å²	18	35 Å²	35	19%	0.186	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.6	35.6	168.2	0	0	0	0	0	113.7	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.41Å; G231-F265 PolarHBondContact N-O 2.91Å
232	F	97.2	Very high	97	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	155.4	179.2	59.5	-90.4	0	0	0	112.4	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.44Å; E207-F232 WeakPolarHBondContact O-CB 3.25Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.17Å; A229-F232 HydrophobicContact CB-CD1 4.05Å; A229-F232 HydrophobicContact CB-CE1 3.8Å; A229-F232 WeakPolarHBondContact O-CE1 3.16Å; F232-P234 WeakPolarHBondContact CD2-O 3.35Å; F232-I237 HydrophobicContact CD1-CD1 3.87Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.43Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.91Å; F232-I237 HydrophobicContact CE2-CG1 4.42Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.12Å; F232-I237 HydrophobicContact CZ-CD1 3.84Å; F232-I237 HydrophobicContact CZ-CG2 3.52Å; F232-T257 HydrophobicContact CE2-CG2 4.06Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; F232-T264 CarbonylContact O-C 3.55Å; F232-T264 WeakPolarHBondContact O-CA 3.33Å; F232-F265 WeakPolarHBondContact CD1-O 3.45Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.29Å; F232-F265 WeakPolarHBondContact CE1-O 3.1Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CG-CB 4.5Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 3.26Å; F232-F265 PolarHBondContact O-N 3.32Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.11Å; F232-H287 AromaticContact CD2-CD2 3.74Å; F232-H287 AromaticContact CD2-NE2 3.69Å
233	Y	95.6	Very high	97	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.008	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-151.5	135.8	173.9	178.6	-84.4	0	0	0	108.7	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.04Å; T55-Y233 PolarHBondContact OG1-OH 2.84Å; T55-Y233 VanDerWaalsContact OG1-OH 3.05Å; R205-Y233 HydrophobicContact CG-CD1 4.15Å; R205-Y233 WeakPolarHBondContact O-CD1 3.02Å; A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 WeakPolarHBondContact CA-O 3.17Å; E207-Y233 PolarHBondContact N-O 2.86Å; E207-Y233 PolarHBondContact O-N 2.86Å; E207-Y233 VanDerWaalsContact O-N 3.08Å; Y233-G263 WeakPolarHBondContact CD2-O 3.48Å; Y233-F265 HydrophobicContact CD2-CD2 4.47Å; Y233-F265 HydrophobicContact CD2-CE2 4.02Å; Y233-F265 HydrophobicContact CE2-CE2 4.48Å; Y233-H287 PolarHBondContact O-CE1 2.88Å
234	P	94.9	Very high	96.8	Very high	18 Å²	18	34.1 Å²	34.1	12%	0.117	17%	0.174	C	C	.	.	S	Bend	cis	-71.6	178.9	2.6	30.5	-36.6	0	0	0	113.4	D54 F232 E236 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.28Å; D54-P234 WeakPolarHBondContact OD2-CB 3.06Å; F232-P234 WeakPolarHBondContact CD2-O 3.35Å; P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.05Å; P234-H287 PolarHBondContact O-NE2 3.45Å; P234-E288 HydrophobicContact CG-CB 4.4Å
235	A	96.3	Very high	96.5	Very high	15 Å²	15	35.4 Å²	35.4	12%	0.124	19%	0.192	C	C	.	.	S	Bend	trans	-70.5	-24.4	-175.7	0	0	0	0	0	113.7	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.31Å; D54-A235 WeakPolarHBondContact OD2-CB 3.3Å; D54-A235 PolarHBondContact OD2-N 2.89Å; A235-I237 PolarHBondContact O-N 3.38Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; A235-F265 HydrophobicContact CB-CD1 3.74Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.71Å; A235-F265 HydrophobicContact CB-CE2 3.69Å; A235-F265 HydrophobicContact CB-CG 3.75Å; A235-F265 HydrophobicContact CB-CZ 3.71Å
236	E	95.4	Very high	96.3	Very high	146 Å²	146	41.7 Å²	41.7	68%	0.682	22%	0.221	S	C	*	.			trans	-65.1	116.4	179.5	-170.7	58.8	-145.3	0	0	110.2	P234 H287	P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.05Å; E236-H287 PolarHBondContact O-CD2 3.42Å
237	I	96.2	Very high	96	Very high	10 Å²	10	43.7 Å²	43.7	5%	0.051	24%	0.236	C	C	.	.			trans	-151.9	141.6	-178.2	-165.6	168.2	0	0	0	109.8	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.03Å; P209-I237 HydrophobicContact CG-CD1 4.15Å; A229-I237 HydrophobicContact CB-CD1 3.69Å; F232-I237 HydrophobicContact CD1-CD1 3.87Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.43Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.91Å; F232-I237 HydrophobicContact CE2-CG1 4.42Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.12Å; F232-I237 HydrophobicContact CZ-CD1 3.84Å; F232-I237 HydrophobicContact CZ-CG2 3.52Å; A235-I237 PolarHBondContact O-N 3.38Å; I237-L239 HydrophobicContact CB-CD1 4.48Å; I237-L239 HydrophobicContact CD1-CD1 3.67Å; I237-L239 HydrophobicContact CG1-CD1 3.6Å; I237-L239 HydrophobicContact CG2-CD1 4.14Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.58Å; I237-V285 HydrophobicContact CD1-CG1 4Å; I237-V285 HydrophobicContact CG1-CG1 4.33Å; I237-Q286 WeakPolarHBondContact CG1-O 3.48Å; I237-H287 HydrophobicContact CD1-CB 4.13Å; I237-H287 HydrophobicContact CG1-CB 3.97Å
238	T	96.9	Very high	95.8	Very high	61 Å²	61	45.2 Å²	45.2	37%	0.374	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.6	174.3	-62	0	0	0	0	110.1	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.05Å; T238-V285 WeakPolarHBondContact O-CA 3.48Å; T238-Q286 PolarHBondContact N-O 3.23Å; T238-Q286 PolarHBondContact O-N 2.95Å
239	L	97.7	Very high	95.2	Very high	7 Å²	7	47.8 Å²	47.8	4%	0.037	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	122.5	172.8	-86.9	62.9	0	0	0	108.5	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.04Å; A229-L239 HydrophobicContact CB-CD2 4.19Å; I237-L239 HydrophobicContact CB-CD1 4.48Å; I237-L239 HydrophobicContact CD1-CD1 3.67Å; I237-L239 HydrophobicContact CG1-CD1 3.6Å; I237-L239 HydrophobicContact CG2-CD1 4.14Å; L239-L254 HydrophobicContact CB-CD1 4.17Å; L239-K267 HydrophobicContact CD1-CD 4.28Å; L239-K267 HydrophobicContact CD2-CB 4.39Å; L239-K267 HydrophobicContact CD2-CG 4.44Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.3Å; L239-H284 WeakPolarHBondContact CA-O 3.37Å; L239-V285 HydrophobicContact CD1-CG1 4.09Å; L239-V285 HydrophobicContact CG-CG2 4.33Å
240	T	97.2	Very high	94.6	Very high	38 Å²	38	57 Å²	57	23%	0.233	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146.2	175.9	57.6	0	0	0	0	111.4	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.05Å; T240-C283 CarbonylContact O-C 3.57Å; T240-C283 WeakPolarHBondContact O-CA 3.45Å; T240-H284 PolarHBondContact N-O 3.5Å; T240-H284 PolarHBondContact O-N 3.03Å
241	W	97.9	Very high	94	Very high	2 Å²	2	60 Å²	60	1%	0.008	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	138.4	168.7	-82.5	104	0	0	0	109.9	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.85Å; V213-W241 HydrophobicContact CG1-CZ2 4.28Å; V213-W241 HydrophobicContact CG2-CH2 4.28Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.79Å; L225-W241 HydrophobicContact CB-CZ3 4.5Å; L225-W241 HydrophobicContact CD1-CH2 4.02Å; L225-W241 HydrophobicContact CD1-CZ3 4.2Å; C227-W241 HydrophobicContact CB-CH2 4.5Å; C227-W241 HydrophobicContact CB-CZ2 3.65Å; W241-Q248 HydrophobicContact CB-CB 4.3Å; W241-Q248 PolarHBondContact O-N 3.41Å; W241-A269 PolarHBondContact NE1-O 3.06Å; W241-V271 HydrophobicContact CB-CG1 3.7Å; W241-V271 HydrophobicContact CB-CG2 4.43Å; W241-V271 HydrophobicContact CD2-CG1 4.34Å; W241-V271 HydrophobicContact CD2-CG2 3.61Å; W241-V271 HydrophobicContact CE3-CG2 4.02Å; W241-V271 HydrophobicContact CG-CB 4.37Å; W241-V271 HydrophobicContact CG-CG1 3.61Å; W241-V271 HydrophobicContact CG-CG2 3.81Å; W241-V271 HydrophobicContact CZ2-CG2 4.26Å; W241-T282 WeakPolarHBondContact CA-O 3.5Å; W241-T282 VanDerWaalsContact CE3-C 3.44Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.08Å; W241-C283 HydrophobicContact CH2-CB 4.01Å; W241-C283 HydrophobicContact CZ2-CB 4.08Å; W241-C283 HydrophobicContact CZ3-CB 4.01Å
242	Q	97.1	Very high	93.8	Very high	40 Å²	40	60.2 Å²	60.2	19%	0.187	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145.7	173.4	-69.1	-173.4	-7.4	0	0	110.5	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.28Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.43Å; Q242-D247 PolarHBondContact NE2-OD1 3.46Å; Q242-Y281 CarbonylContact O-C 3.58Å; Q242-Y281 VanDerWaalsContact O-CA 3.28Å; Q242-Y281 WeakPolarHBondContact O-CA 3.43Å; Q242-T282 PolarHBondContact N-O 3.5Å; Q242-T282 PolarHBondContact O-N 2.92Å; Q242-H284 PolarHBondContact OE1-NE2 2.98Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.09Å
243	W	95.1	Very high	93.8	Very high	77 Å²	77	65.7 Å²	65.7	29%	0.292	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	115.2	170.3	176.4	69.3	0	0	0	108.4	G245 E246 Q248 R280 Y281	W243-G245 PolarHBondContact O-N 2.81Å; W243-E246 PolarHBondContact N-O 3.43Å; W243-E246 PolarHBondContact O-N 3.44Å; W243-Q248 HydrophobicContact CB-CG 3.97Å; W243-R280 VanDerWaalsContact CE2-NH2 3.26Å; W243-R280 VanDerWaalsContact CZ2-NH1 3.31Å; W243-Y281 HydrophobicContact CB-CD1 4.26Å; W243-Y281 HydrophobicContact CB-CE1 4.01Å; W243-Y281 AromaticContact CD1-CE2 3.59Å; W243-Y281 AromaticContact CD1-CZ 3.6Å; W243-Y281 HydrophobicContact CG-CE1 4.29Å
244	D	92.4	Very high	93.8	Very high	105 Å²	105	69.9 Å²	69.9	56%	0.561	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	30.5	-172.9	-68.9	-21.7	0	0	0	114.5	R280	D244-R280 PolarHBondContact N-O 3.33Å; D244-R280 IonicContact OD1-NE 2.93Å; D244-R280 IonicContact OD2-CZ 3.89Å; D244-R280 IonicContact OD2-NE 2.65Å; D244-R280 PolarHBondContact OD2-NE 3Å; D244-R280 IonicContact OD2-NH2 3.69Å; D244-R280 PolarHBondContact OD2-NH2 3.49Å
245	G	89.1	Confident	93.9	Very high	49 Å²	49	70.5 Å²	70.5	51%	0.505	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.9	-0.9	-179.7	0	0	0	0	0	115.6	W243	W243-G245 PolarHBondContact O-N 2.81Å
246	E	93.3	Very high	94	Very high	131 Å²	131	78 Å²	78	61%	0.612	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	127	175.9	-63.4	-169.9	168.2	0	0	111.9	Q242 W243 Q248	Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.28Å; W243-E246 PolarHBondContact N-O 3.43Å; W243-E246 PolarHBondContact O-N 3.44Å; E246-Q248 PolarHBondContact O-NE2 2.9Å
247	D	93.4	Very high	94.1	Very high	95 Å²	95	73.1 Å²	73.1	51%	0.508	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	132	-178.8	-70.7	-25.4	0	0	0	112.6	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.43Å; Q242-D247 PolarHBondContact NE2-OD1 3.46Å
248	Q	92.9	Very high	94.1	Very high	32 Å²	32	77.2 Å²	77.2	15%	0.15	40%	0.4	C	S	.	.			trans	-103.2	38.8	-177.3	-59.9	-58.3	-56.5	0	0	112.6	W241 W243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.3Å; W241-Q248 PolarHBondContact O-N 3.41Å; W243-Q248 HydrophobicContact CB-CG 3.97Å; E246-Q248 PolarHBondContact O-NE2 2.9Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.11Å; Q248-D251 PolarHBondContact O-N 3.13Å; Q248-T252 WeakPolarHBondContact O-CB 3.38Å; Q248-T252 PolarHBondContact O-N 3.45Å; Q248-T252 VanDerWaalsContact O-N 3.09Å; Q248-T252 PolarHBondContact O-OG1 3.44Å; Q248-Y281 HydrophobicContact CG-CE1 4.46Å
249	T	86.1	Confident	94.1	Very high	104 Å²	104	78.8 Å²	78.8	64%	0.638	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-35.1	-169.2	-47.1	0	0	0	0	114.1
250	Q	86.4	Confident	94.1	Very high	193 Å²	193	80.8 Å²	80.8	90%	0.902	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-32.3	-178	-66.8	-173.4	7.8	0	0	113	Q248	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.11Å
251	D	85.9	Confident	93.9	Very high	117 Å²	117	82.7 Å²	82.7	63%	0.626	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	0.8	-178.1	-57.5	-56.1	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 3.13Å
252	T	93.6	Very high	93.7	Very high	23 Å²	23	88 Å²	88	14%	0.141	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	120.7	178.1	-62.8	0	0	0	0	111.1	Q248 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 3.38Å; Q248-T252 PolarHBondContact O-N 3.45Å; Q248-T252 VanDerWaalsContact O-N 3.09Å; Q248-T252 PolarHBondContact O-OG1 3.44Å; T252-L254 HydrophobicContact CG2-CB 4.42Å; T252-L254 PolarHBondContact O-N 2.9Å; T252-A269 HydrophobicContact CG2-CB 3.9Å; T252-A270 CarbonylContact C-O 3.51Å; T252-A270 WeakPolarHBondContact CA-O 3.39Å; T252-V271 HydrophobicContact CG2-CG1 4.39Å; T252-V271 VanDerWaalsContact OG1-CG1 3.25Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.39Å
253	E	96.4	Very high	93.4	Very high	115 Å²	115	88.1 Å²	88.1	54%	0.537	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	107.3	162.9	-173.6	-174.3	-172.5	0	0	109	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.24Å; E253-W268 HydrophobicContact CG-CH2 3.91Å; E253-W268 HydrophobicContact CG-CZ3 3.86Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.48Å; E253-A269 CarbonylContact O-C 3.51Å; E253-A269 WeakPolarHBondContact O-CA 3.14Å; E253-A270 HydrophobicContact CB-CB 4.43Å; E253-A270 PolarHBondContact N-O 3.41Å; E253-A270 PolarHBondContact O-N 2.85Å
254	L	96.6	Very high	93.5	Very high	89 Å²	89	84.8 Å²	84.8	47%	0.466	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120.8	178.6	-173.4	68.6	0	0	0	110.2	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.17Å; T252-L254 HydrophobicContact CG2-CB 4.42Å; T252-L254 PolarHBondContact O-N 2.9Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; L254-A269 HydrophobicContact CD1-CB 3.62Å
255	V	96.7	Very high	93.7	Very high	31 Å²	31	81.1 Å²	81.1	19%	0.188	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-84.6	152.4	174.6	-64.8	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 VanDerWaalsContact O-CE 3.31Å; V255-K267 WeakPolarHBondContact O-CE 3.27Å; V255-K267 WeakPolarHBondContact O-CG 3.43Å; V255-K267 PolarHBondContact O-NZ 3.04Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.58Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.11Å; V255-W268 HydrophobicContact CG2-CD2 3.76Å; V255-W268 HydrophobicContact CG2-CE3 4.49Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.41Å; V255-W268 WeakPolarHBondContact CG2-O 3.35Å; V255-W268 PolarHBondContact N-O 3.29Å
256	E	96.7	Very high	94.2	Very high	172 Å²	172	80.9 Å²	80.9	80%	0.804	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-57.5	147.4	167.5	-68.2	-175.7	172.9	0	0	111.1	R258	E256-R258 PolarHBondContact O-N 2.72Å
257	T	97.8	Very high	94.4	Very high	44 Å²	44	75.7 Å²	75.7	27%	0.27	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-67.2	130.2	174.9	-56.2	0	0	0	0	108.6	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.06Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.93Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; T257-K267 WeakPolarHBondContact OG1-CD 3.36Å; T257-K267 PolarHBondContact OG1-NZ 3.34Å
258	R	97.4	Very high	94.6	Very high	96 Å²	96	72.3 Å²	72.3	36%	0.362	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	145.3	-174.3	68.6	-168.3	-178.3	-165.5	1.6	111.5	E256 F265 Q266	E256-R258 PolarHBondContact O-N 2.72Å; R258-F265 WeakPolarHBondContact O-CA 3.49Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 3.16Å; R258-Q266 WeakPolarHBondContact O-CG 3.23Å; R258-Q266 PolarHBondContact O-N 3.04Å
259	P	97.2	Very high	94.9	Very high	95 Å²	95	70.8 Å²	70.8	62%	0.617	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	144.6	178.5	28.5	-34.5	0	0	0	111.2	F265	P259-F265 HydrophobicContact CB-CE1 4.29Å
260	A	96.6	Very high	95.5	Very high	49 Å²	49	66 Å²	66	41%	0.405	37%	0.369	S	S	.	.			trans	-87.5	-19	172.9	0	0	0	0	0	112.9	T264	A260-T264 WeakPolarHBondContact CB-O 3.34Å; A260-T264 PolarHBondContact N-O 2.68Å
261	G	93.4	Very high	96	Very high	77 Å²	77	57 Å²	57	79%	0.794	33%	0.327	S	S	*	.	S	Bend	trans	98.2	-7.2	178.6	0	0	0	0	0	114.9
262	D	92.7	Very high	96.5	Very high	113 Å²	113	55.2 Å²	55.2	60%	0.604	32%	0.321	S	S	*	.	S	Bend	trans	-104.5	10.4	176.1	60.1	2	0	0	0	113.1	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.5Å; D262-T264 PolarHBondContact OD1-N 2.76Å; D262-T264 PolarHBondContact OD1-OG1 3.2Å
263	G	91.6	Very high	96.6	Very high	43 Å²	43	54.2 Å²	54.2	44%	0.443	31%	0.314	S	S	.	.	S	Bend	trans	91.7	-2.8	-173.9	0	0	0	0	0	114.2	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.48Å
264	T	96.4	Very high	96.5	Very high	8 Å²	8	51.2 Å²	51.2	5%	0.049	31%	0.305	C	S	.	.			trans	-103.1	172.9	174	73.7	0	0	0	0	112.4	E207 G231 F232 A260 D262	E207-T264 WeakPolarHBondContact OE2-CG2 3.38Å; G231-T264 WeakPolarHBondContact CA-OG1 3.41Å; F232-T264 CarbonylContact O-C 3.55Å; F232-T264 WeakPolarHBondContact O-CA 3.33Å; A260-T264 WeakPolarHBondContact CB-O 3.34Å; A260-T264 PolarHBondContact N-O 2.68Å; D262-T264 WeakPolarHBondContact OD1-CB 3.5Å; D262-T264 PolarHBondContact OD1-N 2.76Å; D262-T264 PolarHBondContact OD1-OG1 3.2Å
265	F	98.1	Very high	96.3	Very high	27 Å²	27	49.8 Å²	49.8	12%	0.118	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	163.5	-177.7	-64.2	-86.8	0	0	0	112.3	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.7Å; G231-F265 PolarHBondContact N-O 2.91Å; F232-F265 WeakPolarHBondContact CD1-O 3.45Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.29Å; F232-F265 WeakPolarHBondContact CE1-O 3.1Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CG-CB 4.5Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 3.26Å; F232-F265 PolarHBondContact O-N 3.32Å; Y233-F265 HydrophobicContact CD2-CD2 4.47Å; Y233-F265 HydrophobicContact CD2-CE2 4.02Å; Y233-F265 HydrophobicContact CE2-CE2 4.48Å; A235-F265 HydrophobicContact CB-CD1 3.74Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.71Å; A235-F265 HydrophobicContact CB-CE2 3.69Å; A235-F265 HydrophobicContact CB-CG 3.75Å; A235-F265 HydrophobicContact CB-CZ 3.71Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.93Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; R258-F265 WeakPolarHBondContact O-CA 3.49Å; P259-F265 HydrophobicContact CB-CE1 4.29Å
266	Q	98.3	Very high	96	Very high	44 Å²	44	51.5 Å²	51.5	21%	0.206	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	146.8	174.1	44	167.4	-24.4	0	0	110	A229 L230 R258	A229-Q266 CarbonylContact O-C 3.55Å; A229-Q266 VanDerWaalsContact O-CA 3.28Å; A229-Q266 WeakPolarHBondContact O-CA 3.09Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 3.16Å; R258-Q266 WeakPolarHBondContact O-CG 3.23Å; R258-Q266 PolarHBondContact O-N 3.04Å
267	K	98.5	Very high	95.9	Very high	22 Å²	22	46.3 Å²	46.3	10%	0.096	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	154.8	177	-162.6	-175.9	-172.6	70.1	0	108.9	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.7Å; A229-K267 PolarHBondContact O-N 3.01Å; 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 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.58Å; L239-K267 HydrophobicContact CD1-CD 4.28Å; L239-K267 HydrophobicContact CD2-CB 4.39Å; L239-K267 HydrophobicContact CD2-CG 4.44Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 VanDerWaalsContact O-CE 3.31Å; V255-K267 WeakPolarHBondContact O-CE 3.27Å; V255-K267 WeakPolarHBondContact O-CG 3.43Å; V255-K267 PolarHBondContact O-NZ 3.04Å; T257-K267 WeakPolarHBondContact OG1-CD 3.36Å; T257-K267 PolarHBondContact OG1-NZ 3.34Å
268	W	98.3	Very high	95.7	Very high	24 Å²	24	45.2 Å²	45.2	9%	0.091	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	156.7	168.9	59.7	-98.4	0	0	0	111.7	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 3.99Å; R226-W268 HydrophobicContact CG-CD2 4.09Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.19Å; C227-W268 CarbonylContact O-C 3.45Å; C227-W268 WeakPolarHBondContact O-CA 3.42Å; C227-W268 WeakPolarHBondContact O-CB 3.48Å; W228-W268 HydrophobicContact CD2-CB 3.93Å; W228-W268 HydrophobicContact CD2-CG 4.43Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.87Å; W228-W268 HydrophobicContact CE3-CG 4.19Å; W228-W268 HydrophobicContact CG-CB 4.35Å; W228-W268 AromaticContact CH2-CD1 3.6Å; W228-W268 HydrophobicContact CH2-CG 4.25Å; W228-W268 HydrophobicContact CZ2-CG 4.48Å; W228-W268 HydrophobicContact CZ3-CB 4.31Å; W228-W268 AromaticContact CZ3-CD1 3.41Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.41Å; W228-W268 HydrophobicContact CZ3-CG 4.11Å; E253-W268 HydrophobicContact CB-CZ3 4.24Å; E253-W268 HydrophobicContact CG-CH2 3.91Å; E253-W268 HydrophobicContact CG-CZ3 3.86Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.48Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.58Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.11Å; V255-W268 HydrophobicContact CG2-CD2 3.76Å; V255-W268 HydrophobicContact CG2-CE3 4.49Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.41Å; V255-W268 WeakPolarHBondContact CG2-O 3.35Å; V255-W268 PolarHBondContact N-O 3.29Å; W268-A270 HydrophobicContact CE3-CB 3.94Å; W268-A270 HydrophobicContact CZ3-CB 3.63Å
269	A	98.3	Very high	95.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	133	174.2	0	0	0	0	0	108.6	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.48Å; C227-A269 PolarHBondContact N-O 3.11Å; C227-A269 PolarHBondContact O-N 3.46Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.3Å; W241-A269 PolarHBondContact NE1-O 3.06Å; T252-A269 HydrophobicContact CG2-CB 3.9Å; E253-A269 CarbonylContact O-C 3.51Å; E253-A269 WeakPolarHBondContact O-CA 3.14Å; L254-A269 HydrophobicContact CD1-CB 3.62Å
270	A	97.8	Very high	95.4	Very high	3 Å²	3	44.2 Å²	44.2	3%	0.025	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	146	-179.8	0	0	0	0	0	112.3	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.93Å; L225-A270 CarbonylContact O-C 3.57Å; L225-A270 WeakPolarHBondContact O-CA 3.29Å; R226-A270 HydrophobicContact CB-CB 4.08Å; R226-A270 HydrophobicContact CG-CB 4.15Å; T252-A270 CarbonylContact C-O 3.51Å; T252-A270 WeakPolarHBondContact CA-O 3.39Å; E253-A270 HydrophobicContact CB-CB 4.43Å; E253-A270 PolarHBondContact N-O 3.41Å; E253-A270 PolarHBondContact O-N 2.85Å; W268-A270 HydrophobicContact CE3-CB 3.94Å; W268-A270 HydrophobicContact CZ3-CB 3.63Å
271	V	97.4	Very high	95.5	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.024	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	145	174.5	-73.3	0	0	0	0	109.3	T224 L225 W241 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.33Å; L225-V271 HydrophobicContact CB-CG2 4.19Å; L225-V271 PolarHBondContact N-O 3.24Å; L225-V271 PolarHBondContact O-N 3.01Å; W241-V271 HydrophobicContact CB-CG1 3.7Å; W241-V271 HydrophobicContact CB-CG2 4.43Å; W241-V271 HydrophobicContact CD2-CG1 4.34Å; W241-V271 HydrophobicContact CD2-CG2 3.61Å; W241-V271 HydrophobicContact CE3-CG2 4.02Å; W241-V271 HydrophobicContact CG-CB 4.37Å; W241-V271 HydrophobicContact CG-CG1 3.61Å; W241-V271 HydrophobicContact CG-CG2 3.81Å; W241-V271 HydrophobicContact CZ2-CG2 4.26Å; T252-V271 HydrophobicContact CG2-CG1 4.39Å; T252-V271 VanDerWaalsContact OG1-CG1 3.25Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.39Å; V271-V273 HydrophobicContact CB-CG1 4.37Å; V271-V273 HydrophobicContact CG2-CG1 3.77Å; V271-Y281 HydrophobicContact CG2-CD1 4.1Å
272	V	96.8	Very high	95.7	Very high	81 Å²	81	39.8 Å²	39.8	49%	0.491	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	127.8	169	-178.6	0	0	0	0	107.7	E222 A223	E222-V272 HydrophobicContact CB-CG1 4.13Å; E222-V272 HydrophobicContact CG-CG1 4.34Å; A223-V272 WeakPolarHBondContact O-CA 3.28Å
273	V	95.7	Very high	95.9	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145.1	-174.6	-53.2	0	0	0	0	110.5	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.47Å; A223-V273 HydrophobicContact CB-CG2 4.47Å; A223-V273 PolarHBondContact N-O 3.35Å; A223-V273 WeakPolarHBondContact O-CG2 3.45Å; A223-V273 PolarHBondContact O-N 3.09Å; L225-V273 HydrophobicContact CD1-CG1 4.05Å; L225-V273 HydrophobicContact CD1-CG2 4.05Å; L225-V273 HydrophobicContact CG-CG1 4.2Å; L225-V273 HydrophobicContact CG-CG2 3.83Å; V271-V273 HydrophobicContact CB-CG1 4.37Å; V271-V273 HydrophobicContact CG2-CG1 3.77Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; V273-Y281 HydrophobicContact CB-CD2 3.97Å; V273-Y281 HydrophobicContact CB-CE2 3.68Å; V273-Y281 HydrophobicContact CG1-CD1 3.75Å; V273-Y281 HydrophobicContact CG1-CD2 3.57Å; V273-Y281 HydrophobicContact CG1-CE1 3.68Å; V273-Y281 HydrophobicContact CG1-CE2 3.53Å; V273-Y281 HydrophobicContact CG1-CG 3.68Å
274	P	95.3	Very high	96.2	Very high	53 Å²	53	34 Å²	34	34%	0.344	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	141	170.8	-20.3	32.3	0	0	0	111.4	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.17Å; P274-G276 PolarHBondContact O-N 3.47Å; P274-E277 HydrophobicContact CB-CB 4.36Å; P274-E277 HydrophobicContact CB-CG 4.19Å; P274-E277 PolarHBondContact O-N 2.89Å; P274-E277 VanDerWaalsContact O-N 3.08Å
275	S	91.3	Very high	96.3	Very high	58 Å²	58	33.7 Å²	33.7	41%	0.406	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	128.2	176	-63.3	0	0	0	0	111.2	H221 E222 E278	H221-S275 PolarHBondContact O-N 3.49Å; H221-S275 PolarHBondContact O-OG 3.02Å; E222-S275 PolarHBondContact N-OG 3.49Å; S275-E278 WeakPolarHBondContact CA-OE1 3.41Å
276	G	90.7	Very high	96.2	Very high	67 Å²	67	36.4 Å²	36.4	69%	0.691	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.9	-8.7	-176.6	0	0	0	0	0	114.8	P274 E278	P274-G276 PolarHBondContact O-N 3.47Å; G276-E278 WeakPolarHBondContact CA-OE2 3.39Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.36Å; G276-E278 PolarHBondContact N-OE2 2.85Å
277	E	94.1	Very high	96.1	Very high	64 Å²	64	34.5 Å²	34.5	30%	0.299	19%	0.191	S	C	.	.			trans	-99.8	2.9	175.9	-65.3	-159.2	-156.4	0	0	113.6	P274 Q279 R280 Y281	P274-E277 HydrophobicContact CB-CB 4.36Å; P274-E277 HydrophobicContact CB-CG 4.19Å; P274-E277 PolarHBondContact O-N 2.89Å; P274-E277 VanDerWaalsContact O-N 3.08Å; E277-Q279 PolarHBondContact O-N 3.18Å; E277-R280 WeakPolarHBondContact O-CB 3.46Å; E277-R280 PolarHBondContact O-N 3.16Å; E277-R280 IonicContact OE1-NH1 3.79Å; E277-R280 IonicContact OE2-CZ 3.21Å; E277-R280 IonicContact OE2-NH1 3.67Å; E277-R280 PolarHBondContact OE2-NH1 3.38Å; E277-Y281 HydrophobicContact CB-CE2 4.34Å; E277-Y281 WeakPolarHBondContact O-CD2 3.43Å
278	E	93.9	Very high	95.7	Very high	21 Å²	21	36.9 Å²	36.9	10%	0.098	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-57.6	-31.4	-171	-57.1	83.3	177	0	0	112.9	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.29Å; L225-E278 HydrophobicContact CD1-CB 4.12Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.37Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; S275-E278 WeakPolarHBondContact CA-OE1 3.41Å; G276-E278 WeakPolarHBondContact CA-OE2 3.39Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.36Å; G276-E278 PolarHBondContact N-OE2 2.85Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 2.84Å; E278-Y281 PolarHBondContact O-N 3.07Å; E278-W298 HydrophobicContact CB-CD2 4.43Å; E278-W298 HydrophobicContact CB-CE3 3.4Å; E278-W298 VanDerWaalsContact CB-CE3 3.4Å; E278-W298 HydrophobicContact CB-CZ3 3.77Å; E278-W298 HydrophobicContact CG-CE3 3.78Å; E278-W298 HydrophobicContact CG-CZ3 3.77Å
279	Q	94.1	Very high	95.4	Very high	88 Å²	88	36.3 Å²	36.3	41%	0.411	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-73.8	-15.3	-179.4	-63.8	-58	-49.1	0	0	114.2	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 3.18Å; Q279-Y281 VanDerWaalsContact C-N 3.31Å; Q279-W298 PolarHBondContact NE2-O 3.2Å
280	R	95.5	Very high	95.2	Very high	82 Å²	82	36.8 Å²	36.8	31%	0.309	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-80	-17.9	174.5	-61.6	176.2	69.2	-168.7	3.4	112.2	W243 D244 E277 E278	W243-R280 VanDerWaalsContact CE2-NH2 3.26Å; W243-R280 VanDerWaalsContact CZ2-NH1 3.31Å; D244-R280 PolarHBondContact N-O 3.33Å; D244-R280 IonicContact OD1-NE 2.93Å; D244-R280 IonicContact OD2-CZ 3.89Å; D244-R280 IonicContact OD2-NE 2.65Å; D244-R280 PolarHBondContact OD2-NE 3Å; D244-R280 IonicContact OD2-NH2 3.69Å; D244-R280 PolarHBondContact OD2-NH2 3.49Å; E277-R280 WeakPolarHBondContact O-CB 3.46Å; E277-R280 PolarHBondContact O-N 3.16Å; E277-R280 IonicContact OE1-NH1 3.79Å; E277-R280 IonicContact OE2-CZ 3.21Å; E277-R280 IonicContact OE2-NH1 3.67Å; E277-R280 PolarHBondContact OE2-NH1 3.38Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 2.84Å
281	Y	96.7	Very high	94.8	Very high	21 Å²	21	42.4 Å²	42.4	8%	0.082	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	128.5	179.7	-69.6	-96.2	0	0	0	110.9	Q242 W243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.58Å; Q242-Y281 VanDerWaalsContact O-CA 3.28Å; Q242-Y281 WeakPolarHBondContact O-CA 3.43Å; W243-Y281 HydrophobicContact CB-CD1 4.26Å; W243-Y281 HydrophobicContact CB-CE1 4.01Å; W243-Y281 AromaticContact CD1-CE2 3.59Å; W243-Y281 AromaticContact CD1-CZ 3.6Å; W243-Y281 HydrophobicContact CG-CE1 4.29Å; Q248-Y281 HydrophobicContact CG-CE1 4.46Å; V271-Y281 HydrophobicContact CG2-CD1 4.1Å; V273-Y281 HydrophobicContact CB-CD2 3.97Å; V273-Y281 HydrophobicContact CB-CE2 3.68Å; V273-Y281 HydrophobicContact CG1-CD1 3.75Å; V273-Y281 HydrophobicContact CG1-CD2 3.57Å; V273-Y281 HydrophobicContact CG1-CE1 3.68Å; V273-Y281 HydrophobicContact CG1-CE2 3.53Å; V273-Y281 HydrophobicContact CG1-CG 3.68Å; E277-Y281 HydrophobicContact CB-CE2 4.34Å; E277-Y281 WeakPolarHBondContact O-CD2 3.43Å; E278-Y281 PolarHBondContact O-N 3.07Å; Q279-Y281 VanDerWaalsContact C-N 3.31Å
282	T	97.6	Very high	94.6	Very high	12 Å²	12	49.3 Å²	49.3	7%	0.074	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	133.5	174.9	54.4	0	0	0	0	111	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.5Å; W241-T282 VanDerWaalsContact CE3-C 3.44Å; Q242-T282 PolarHBondContact N-O 3.5Å; Q242-T282 PolarHBondContact O-N 2.92Å; T282-H284 PolarHBondContact OG1-NE2 3.43Å; T282-T295 HydrophobicContact CG2-CG2 4.13Å; T282-L296 CarbonylContact C-O 3.57Å; T282-L296 WeakPolarHBondContact CA-O 3.41Å; T282-R297 HydrophobicContact CG2-CG 3.71Å; T282-R297 VanDerWaalsContact CG2-NE 3.3Å
283	C	97.9	Very high	94.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.4	170.7	174.1	0	0	0	0	109.6	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.48Å; C227-C283 WeakPolarHBondContact SG-CB 3.34Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.17Å; T240-C283 CarbonylContact O-C 3.57Å; T240-C283 WeakPolarHBondContact O-CA 3.45Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.08Å; W241-C283 HydrophobicContact CH2-CB 4.01Å; W241-C283 HydrophobicContact CZ2-CB 4.08Å; W241-C283 HydrophobicContact CZ3-CB 4.01Å; C283-T295 CarbonylContact O-C 3.52Å; C283-T295 WeakPolarHBondContact O-CA 3.43Å; C283-L296 HydrophobicContact CB-CB 4.3Å; C283-L296 PolarHBondContact N-O 3.11Å; C283-L296 PolarHBondContact O-N 2.87Å
284	H	97.7	Very high	94.6	Very high	35 Å²	35	51.2 Å²	51.2	16%	0.162	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	132.3	176.2	-64.9	-101.5	0	0	0	109.9	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.37Å; T240-H284 PolarHBondContact N-O 3.5Å; T240-H284 PolarHBondContact O-N 3.03Å; Q242-H284 PolarHBondContact OE1-NE2 2.98Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.09Å; T282-H284 PolarHBondContact OG1-NE2 3.43Å; H284-L294 CarbonylContact C-O 3.53Å; H284-L294 VanDerWaalsContact CA-O 3.32Å; H284-L294 WeakPolarHBondContact CA-O 3.22Å; H284-T295 PolarHBondContact CE1-OG1 3.41Å; H284-T295 PolarHBondContact ND1-OG1 3.16Å
285	V	97.9	Very high	94.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	121.4	-178.3	-174.1	0	0	0	0	109.5	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.96Å; T211-V285 HydrophobicContact CG2-CB 4.48Å; T211-V285 HydrophobicContact CG2-CG1 4.18Å; T211-V285 HydrophobicContact CG2-CG2 4.09Å; I237-V285 HydrophobicContact CD1-CG1 4Å; I237-V285 HydrophobicContact CG1-CG1 4.33Å; T238-V285 WeakPolarHBondContact O-CA 3.48Å; L239-V285 HydrophobicContact CD1-CG1 4.09Å; L239-V285 HydrophobicContact CG-CG2 4.33Å; V285-L290 HydrophobicContact CG1-CD1 4.23Å; V285-P293 WeakPolarHBondContact O-CA 3.47Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.36Å; V285-L294 PolarHBondContact O-N 2.78Å; V285-L296 HydrophobicContact CG2-CD1 4Å
286	Q	96.8	Very high	94.9	Very high	85 Å²	85	51.6 Å²	51.6	40%	0.397	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.7	174.2	-55.3	179.9	12.5	0	0	109	I237 T238 P293	I237-Q286 WeakPolarHBondContact CG1-O 3.48Å; T238-Q286 PolarHBondContact N-O 3.23Å; T238-Q286 PolarHBondContact O-N 2.95Å; Q286-P293 HydrophobicContact CG-CB 3.98Å; Q286-P293 HydrophobicContact CG-CG 4.06Å
287	H	95.3	Very high	95.2	Very high	3 Å²	3	55.4 Å²	55.4	1%	0.014	28%	0.277	C	S	.	.			trans	-160.3	136.9	-175.5	179.5	-95.8	0	0	0	110.1	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 WeakPolarHBondContact CH2-O 3.26Å; W23-H287 VanDerWaalsContact CZ3-O 3.29Å; W23-H287 WeakPolarHBondContact CZ3-O 3.22Å; E207-H287 PolarHBondContact O-CE1 3.41Å; P209-H287 HydrophobicContact CG-CB 4.04Å; F232-H287 AromaticContact CD2-CD2 3.74Å; F232-H287 AromaticContact CD2-NE2 3.69Å; Y233-H287 PolarHBondContact O-CE1 2.88Å; P234-H287 PolarHBondContact O-NE2 3.45Å; E236-H287 PolarHBondContact O-CD2 3.42Å; I237-H287 HydrophobicContact CD1-CB 4.13Å; I237-H287 HydrophobicContact CG1-CB 3.97Å; H287-G289 PolarHBondContact CE1-N 3.05Å; H287-G289 PolarHBondContact ND1-N 3.16Å; H287-G289 PolarHBondContact O-N 2.87Å; H287-L290 HydrophobicContact CB-CD1 4.03Å; H287-L290 HydrophobicContact CB-CG 4.3Å; H287-L290 WeakPolarHBondContact O-CB 3.48Å; H287-L290 PolarHBondContact O-N 3.43Å
288	E	91.4	Very high	95.2	Very high	72 Å²	72	54.5 Å²	54.5	34%	0.336	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-26.2	-174.5	-167	179.6	141.6	0	0	115.4	W23 C25 P234	W23-E288 HydrophobicContact CD2-CG 4.5Å; W23-E288 VanDerWaalsContact CE3-CA 3.41Å; W23-E288 HydrophobicContact CE3-CB 4.17Å; W23-E288 HydrophobicContact CE3-CG 3.85Å; W23-E288 VanDerWaalsContact CH2-CA 3.48Å; W23-E288 HydrophobicContact CZ3-CB 4.29Å; W23-E288 HydrophobicContact CZ3-CG 4.37Å; W23-E288 WeakPolarHBondContact CZ3-O 3.41Å; C25-E288 PolarHBondContact SG-OE1 3.39Å; P234-E288 HydrophobicContact CG-CB 4.4Å
289	G	91.1	Very high	95	Very high	12 Å²	12	61.4 Å²	61.4	12%	0.124	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-45.2	172.4	0	0	0	0	0	111.9	H208 H287	H208-G289 PolarHBondContact CE1-O 3.42Å; H208-G289 PolarHBondContact ND1-O 3.36Å; H208-G289 PolarHBondContact NE2-O 3.12Å; H287-G289 PolarHBondContact CE1-N 3.05Å; H287-G289 PolarHBondContact ND1-N 3.16Å; H287-G289 PolarHBondContact O-N 2.87Å
290	L	93.5	Very high	94.4	Very high	10 Å²	10	61 Å²	61	5%	0.052	31%	0.308	C	S	.	.			trans	-71	126.9	-167.7	-64.2	168.6	0	0	0	113.1	W23 H208 P209 V285 H287 E292 L294	W23-L290 WeakPolarHBondContact CH2-O 3.16Å; W23-L290 WeakPolarHBondContact CZ3-O 3.42Å; H208-L290 HydrophobicContact CB-CD2 4.16Å; H208-L290 WeakPolarHBondContact ND1-CA 3.47Å; H208-L290 PolarHBondContact ND1-N 3.01Å; P209-L290 HydrophobicContact CG-CD1 3.86Å; P209-L290 HydrophobicContact CG-CD2 4.47Å; P209-L290 HydrophobicContact CG-CG 4.22Å; V285-L290 HydrophobicContact CG1-CD1 4.23Å; H287-L290 HydrophobicContact CB-CD1 4.03Å; H287-L290 HydrophobicContact CB-CG 4.3Å; H287-L290 WeakPolarHBondContact O-CB 3.48Å; H287-L290 PolarHBondContact O-N 3.43Å; L290-E292 WeakPolarHBondContact CB-O 3.47Å; L290-E292 PolarHBondContact O-N 3.42Å; L290-L294 HydrophobicContact CD1-CD1 3.98Å; L290-L294 HydrophobicContact CD1-CG 3.86Å; L290-L294 HydrophobicContact CD2-CD1 3.62Å; L290-L294 HydrophobicContact CD2-CD2 4.38Å; L290-L294 HydrophobicContact CD2-CG 3.83Å; L290-L294 HydrophobicContact CG-CD1 4.48Å; L290-L294 HydrophobicContact CG-CG 4.46Å
291	P	91.3	Very high	92.9	Very high	121 Å²	121	62 Å²	62	79%	0.786	33%	0.327	S	S	*	.	S	Bend	trans	-64.6	-30	176.7	28	-35.5	0	0	0	112.4
292	E	92.6	Very high	90.7	Very high	150 Å²	150	66.2 Å²	66.2	70%	0.701	36%	0.36	S	S	*	.	S	Bend	trans	-141	149.4	175	-66	-177.2	178.5	0	0	109.4	L290 L294	L290-E292 WeakPolarHBondContact CB-O 3.47Å; L290-E292 PolarHBondContact O-N 3.42Å; E292-L294 PolarHBondContact O-N 3.37Å
293	P	95.1	Very high	88.3	Confident	63 Å²	63	73.2 Å²	73.2	41%	0.409	39%	0.392	S	S	.	.			trans	-54	136	174	-27.3	36.2	0	0	0	112.6	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.47Å; Q286-P293 HydrophobicContact CG-CB 3.98Å; Q286-P293 HydrophobicContact CG-CG 4.06Å
294	L	96.6	Very high	85.7	Confident	59 Å²	59	78.1 Å²	78.1	31%	0.309	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	140.9	174.5	-63.4	177.7	0	0	0	110.3	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.44Å; H284-L294 CarbonylContact C-O 3.53Å; H284-L294 VanDerWaalsContact CA-O 3.32Å; H284-L294 WeakPolarHBondContact CA-O 3.22Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.36Å; V285-L294 PolarHBondContact O-N 2.78Å; L290-L294 HydrophobicContact CD1-CD1 3.98Å; L290-L294 HydrophobicContact CD1-CG 3.86Å; L290-L294 HydrophobicContact CD2-CD1 3.62Å; L290-L294 HydrophobicContact CD2-CD2 4.38Å; L290-L294 HydrophobicContact CD2-CG 3.83Å; L290-L294 HydrophobicContact CG-CD1 4.48Å; L290-L294 HydrophobicContact CG-CG 4.46Å; E292-L294 PolarHBondContact O-N 3.37Å
295	T	97.3	Very high	83.5	Confident	82 Å²	82	82.8 Å²	82.8	50%	0.503	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	120.9	170.4	-56.2	0	0	0	0	108.7	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 4.13Å; C283-T295 CarbonylContact O-C 3.52Å; C283-T295 WeakPolarHBondContact O-CA 3.43Å; H284-T295 PolarHBondContact CE1-OG1 3.41Å; H284-T295 PolarHBondContact ND1-OG1 3.16Å
296	L	96.7	Very high	81.5	Confident	36 Å²	36	87.6 Å²	87.6	19%	0.188	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	142.8	-173.6	-61.5	155.2	0	0	0	109.9	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.42Å; T211-L296 HydrophobicContact CG2-CD1 4.14Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.27Å; V213-L296 HydrophobicContact CG2-CB 3.94Å; T282-L296 CarbonylContact C-O 3.57Å; T282-L296 WeakPolarHBondContact CA-O 3.41Å; C283-L296 HydrophobicContact CB-CB 4.3Å; C283-L296 PolarHBondContact N-O 3.11Å; C283-L296 PolarHBondContact O-N 2.87Å; V285-L296 HydrophobicContact CG2-CD1 4Å
297	R	95.7	Very high	79.7	Confident	148 Å²	148	87.5 Å²	87.5	56%	0.558	49%	0.487	S	S	*	.			trans	-117.7	159.8	167.7	-75.4	-179.7	179.8	170.9	-0.8	109.2	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.71Å; T282-R297 VanDerWaalsContact CG2-NE 3.3Å; R297-E299 PolarHBondContact O-N 2.97Å
298	W	95.3	Very high	78.1	Confident	45 Å²	45	93.3 Å²	93.3	17%	0.17	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-69	121.8	167.4	170.4	56.9	0	0	0	109.9	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.45Å; V213-W298 HydrophobicContact CG1-CB 3.84Å; H215-W298 HydrophobicContact CB-CD2 4.1Å; H215-W298 HydrophobicContact CB-CG 4.16Å; H215-W298 HydrophobicContact CB-CZ2 3.99Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å; H215-W298 AromaticContact CG-CE2 3.78Å; H215-W298 AromaticContact CG-CZ2 3.78Å; H215-W298 AromaticContact ND1-CZ2 3.96Å; L225-W298 HydrophobicContact CD1-CB 4.45Å; L225-W298 HydrophobicContact CD2-CB 3.86Å; L225-W298 HydrophobicContact CD2-CD2 4.37Å; L225-W298 HydrophobicContact CD2-CG 3.98Å; E278-W298 HydrophobicContact CB-CD2 4.43Å; E278-W298 HydrophobicContact CB-CE3 3.4Å; E278-W298 VanDerWaalsContact CB-CE3 3.4Å; E278-W298 HydrophobicContact CB-CZ3 3.77Å; E278-W298 HydrophobicContact CG-CE3 3.78Å; E278-W298 HydrophobicContact CG-CZ3 3.77Å; Q279-W298 PolarHBondContact NE2-O 3.2Å; W298-P300 HydrophobicContact CE3-CG 4.44Å; W298-P300 HydrophobicContact CH2-CB 4.35Å; W298-P300 HydrophobicContact CH2-CG 3.98Å; W298-P300 HydrophobicContact CZ2-CB 4.12Å; W298-P300 HydrophobicContact CZ2-CG 4.09Å; W298-P300 HydrophobicContact CZ3-CG 4.14Å
299	E	89.1	Confident	76.7	Confident	165 Å²	165	95.7 Å²	95.7	77%	0.771	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-100.1	119.6	170.2	-72.4	-177.9	176.5	0	0	109.3	R297 S301	R297-E299 PolarHBondContact O-N 2.97Å; E299-S301 PolarHBondContact O-N 3.42Å
300	P	81	Confident	75.6	Confident	80 Å²	80	97.1 Å²	97.1	52%	0.519	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-58	127.6	171.6	-20.8	31.3	0	0	0	109.2	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.44Å; W298-P300 HydrophobicContact CH2-CB 4.35Å; W298-P300 HydrophobicContact CH2-CG 3.98Å; W298-P300 HydrophobicContact CZ2-CB 4.12Å; W298-P300 HydrophobicContact CZ2-CG 4.09Å; W298-P300 HydrophobicContact CZ3-CG 4.14Å; P300-S302 PolarHBondContact O-N 3.22Å
301	S	65.1	Low	74.6	Confident	102 Å²	102	101 Å²	101	71%	0.713	57%	0.57	S	S	*	*			trans	-51.8	105.7	177.6	133.9	0	0	0	0	109.8	E299 Q303	E299-S301 PolarHBondContact O-N 3.42Å; S301-Q303 PolarHBondContact O-N 3.44Å
302	S	50.3	Low	73.9	Confident	111 Å²	111	99.6 Å²	99.6	78%	0.776	56%	0.559	S	S	*	*			trans	-79.7	68.5	166.8	57.9	0	0	0	0	108	P300 P304	P300-S302 PolarHBondContact O-N 3.22Å; S302-P304 WeakPolarHBondContact O-CD 3.21Å
303	Q	45.8	Very low	73.1	Confident	158 Å²	158	94.9 Å²	94.9	74%	0.738	55%	0.546	S	S	*	.			trans	-68.8	111.2	153.9	-82.6	-170.2	-15.8	0	0	105.2	S301 T305	S301-Q303 PolarHBondContact O-N 3.44Å; Q303-T305 PolarHBondContact O-N 2.89Å
304	P	45.1	Very low	72.4	Confident	103 Å²	103	93.5 Å²	93.5	67%	0.669	54%	0.543	S	S	*	.			trans	-58.4	115.7	165.1	24.6	-28.7	0	0	0	104.8	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.21Å; P304-I306 HydrophobicContact CB-CG1 4.44Å; P304-I306 HydrophobicContact CG-CG1 4.44Å; P304-I306 PolarHBondContact O-N 3.3Å
305	T	51.2	Low	71.9	Confident	133 Å²	133	95.9 Å²	95.9	82%	0.816	56%	0.556	S	S	*	*			trans	-64.6	81.7	161.4	-42.2	0	0	0	0	104.7	Q303 P307	Q303-T305 PolarHBondContact O-N 2.89Å; T305-P307 VanDerWaalsContact O-CD 3.25Å; T305-P307 WeakPolarHBondContact O-CD 3.21Å
306	I	54.7	Low	71.2	Confident	102 Å²	102	94.6 Å²	94.6	52%	0.523	55%	0.553	S	S	.	*			trans	-52.9	118	167.3	-63.1	175.6	0	0	0	102.8	P304 I308 I311	P304-I306 HydrophobicContact CB-CG1 4.44Å; P304-I306 HydrophobicContact CG-CG1 4.44Å; P304-I306 PolarHBondContact O-N 3.3Å; I306-I308 PolarHBondContact O-N 2.89Å; I306-I311 HydrophobicContact CG2-CD1 3.78Å
307	P	59.4	Low	70.6	Confident	83 Å²	83	97 Å²	97	54%	0.539	57%	0.569	S	S	.	*			trans	-73.7	81.1	-176.1	29.6	-32.3	0	0	0	106.4	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-CD 3.25Å; T305-P307 WeakPolarHBondContact O-CD 3.21Å; P307-V309 PolarHBondContact O-N 3.17Å; P307-V309 VanDerWaalsContact O-N 3.14Å; P307-G310 WeakPolarHBondContact O-CA 3.5Å; P307-G310 PolarHBondContact O-N 2.78Å; P307-I311 PolarHBondContact O-N 3.28Å; P307-I311 VanDerWaalsContact O-N 3.1Å
308	I	61.4	Low	70.1	Confident	124 Å²	124	95.3 Å²	95.3	64%	0.636	57%	0.57	S	S	*	*	H	α-helix	trans	-54.3	-34.7	177.9	-65.4	170.3	0	0	0	108.5	I306 G310 I311 V312	I306-I308 PolarHBondContact O-N 2.89Å; I308-G310 PolarHBondContact O-N 3.27Å; I308-I311 PolarHBondContact O-N 2.99Å; I308-V312 HydrophobicContact CG2-CG2 4.3Å; I308-V312 WeakPolarHBondContact O-CB 3.42Å; I308-V312 WeakPolarHBondContact O-CG2 3.47Å; I308-V312 PolarHBondContact O-N 3.25Å
309	V	62.9	Low	69.6	Low	122 Å²	122	95.8 Å²	95.8	74%	0.739	58%	0.584	S	S	*	*	H	α-helix	trans	-60.9	-41.4	172.4	179.3	0	0	0	0	112.6	P307 A313	P307-V309 PolarHBondContact O-N 3.17Å; P307-V309 VanDerWaalsContact O-N 3.14Å; V309-A313 VanDerWaalsContact O-CB 3.24Å; V309-A313 WeakPolarHBondContact O-CB 3.42Å; V309-A313 PolarHBondContact O-N 2.82Å
310	G	66.7	Low	69.4	Low	42 Å²	42	92.2 Å²	92.2	43%	0.433	57%	0.573	S	S	.	*	H	α-helix	trans	-68.9	-38	178.9	0	0	0	0	0	112.9	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.5Å; P307-G310 PolarHBondContact O-N 2.78Å; I308-G310 PolarHBondContact O-N 3.27Å; G310-G314 PolarHBondContact O-N 2.8Å
311	I	74.1	Confident	69.6	Low	92 Å²	92	93.4 Å²	93.4	47%	0.472	58%	0.575	S	S	.	*	H	α-helix	trans	-69.4	-44.4	176.2	-62	174.3	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.78Å; P307-I311 PolarHBondContact O-N 3.28Å; P307-I311 VanDerWaalsContact O-N 3.1Å; I308-I311 PolarHBondContact O-N 2.99Å; I311-G314 PolarHBondContact O-N 3.14Å; I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 HydrophobicContact CG2-CG 4.48Å; I311-L315 WeakPolarHBondContact O-CB 3.4Å; I311-L315 WeakPolarHBondContact O-CG 3.42Å; I311-L315 PolarHBondContact O-N 3.48Å
312	V	75.4	Confident	70.4	Confident	91 Å²	91	91.6 Å²	91.6	55%	0.552	57%	0.566	S	S	*	*	H	α-helix	trans	-65.1	-42.9	178.1	172.6	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.3Å; I308-V312 WeakPolarHBondContact O-CB 3.42Å; I308-V312 WeakPolarHBondContact O-CG2 3.47Å; I308-V312 PolarHBondContact O-N 3.25Å; V312-L315 PolarHBondContact O-N 3.23Å; V312-A316 WeakPolarHBondContact O-CB 3.37Å; V312-A316 PolarHBondContact O-N 2.65Å
313	A	75.8	Confident	72	Confident	52 Å²	52	90.8 Å²	90.8	43%	0.43	56%	0.557	S	S	.	*	H	α-helix	trans	-63.1	-43.3	175.1	0	0	0	0	0	111.8	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.24Å; V309-A313 WeakPolarHBondContact O-CB 3.42Å; V309-A313 PolarHBondContact O-N 2.82Å; A313-A316 PolarHBondContact O-N 3.48Å; A313-V317 WeakPolarHBondContact O-CG2 3.21Å; A313-V317 PolarHBondContact O-N 3.1Å
314	G	80.8	Confident	73.8	Confident	34 Å²	34	88 Å²	88	35%	0.351	55%	0.546	S	S	.	.	H	α-helix	trans	-61.7	-43.6	176.9	0	0	0	0	0	113.1	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.8Å; I311-G314 PolarHBondContact O-N 3.14Å; G314-V317 PolarHBondContact O-N 3.3Å; G314-L318 PolarHBondContact O-N 2.62Å
315	L	85.3	Confident	75.5	Confident	109 Å²	109	85 Å²	85	57%	0.571	53%	0.534	S	S	*	.	H	α-helix	trans	-67	-38.3	176.9	-72.2	172.7	0	0	0	112.4	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 HydrophobicContact CG2-CG 4.48Å; I311-L315 WeakPolarHBondContact O-CB 3.4Å; I311-L315 WeakPolarHBondContact O-CG 3.42Å; I311-L315 PolarHBondContact O-N 3.48Å; V312-L315 PolarHBondContact O-N 3.23Å; L315-L318 PolarHBondContact O-N 3.29Å; L315-A319 WeakPolarHBondContact O-CB 3.34Å; L315-A319 PolarHBondContact O-N 3.26Å
316	A	82.5	Confident	76.8	Confident	55 Å²	55	81.3 Å²	81.3	46%	0.455	52%	0.517	S	S	.	.	H	α-helix	trans	-63.3	-43	175.6	0	0	0	0	0	111.7	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.37Å; V312-A316 PolarHBondContact O-N 2.65Å; A313-A316 PolarHBondContact O-N 3.48Å; A316-A319 PolarHBondContact O-N 3.13Å; A316-V320 WeakPolarHBondContact O-CG2 3.07Å; A316-V320 PolarHBondContact O-N 2.98Å
317	V	85.4	Confident	78	Confident	86 Å²	86	80.4 Å²	80.4	52%	0.521	52%	0.516	S	S	.	.	H	α-helix	trans	-63.9	-43.8	176.4	173.2	0	0	0	0	111.2	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.21Å; A313-V317 PolarHBondContact O-N 3.1Å; G314-V317 PolarHBondContact O-N 3.3Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 2.91Å; V317-V320 PolarHBondContact O-N 2.73Å; V317-L321 HydrophobicContact CG1-CD1 4Å; V317-L321 HydrophobicContact CG1-CG 4.4Å; V317-L321 WeakPolarHBondContact O-CG 3.46Å; V317-L321 PolarHBondContact O-N 3.49Å
318	L	84.9	Confident	78.9	Confident	112 Å²	112	80.4 Å²	80.4	59%	0.586	52%	0.515	S	S	*	.	H	α-helix	trans	-61	-41.6	176	-84.3	165.2	0	0	0	112.5	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 2.62Å; L315-L318 PolarHBondContact O-N 3.29Å; L318-L321 PolarHBondContact O-N 2.83Å; L318-A322 WeakPolarHBondContact O-CB 3.49Å; L318-A322 PolarHBondContact O-N 2.8Å
319	A	84.5	Confident	79.5	Confident	56 Å²	56	77 Å²	77	46%	0.463	51%	0.505	S	S	.	.	H	α-helix	trans	-63.2	-43.6	176.2	0	0	0	0	0	111.8	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.34Å; L315-A319 PolarHBondContact O-N 3.26Å; A316-A319 PolarHBondContact O-N 3.13Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 2.91Å; A319-A322 PolarHBondContact O-N 3.16Å; A319-V323 WeakPolarHBondContact O-CG2 3.44Å; A319-V323 PolarHBondContact O-N 3.32Å
320	V	84.8	Confident	80.1	Confident	89 Å²	89	75 Å²	75	54%	0.539	49%	0.493	S	S	.	.	H	α-helix	trans	-62.8	-43.9	176.6	171.9	0	0	0	0	111.2	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.07Å; A316-V320 PolarHBondContact O-N 2.98Å; V317-V320 PolarHBondContact O-N 2.73Å; V320-A322 PolarHBondContact O-N 3.22Å; V320-V323 PolarHBondContact O-N 3.06Å; V320-L324 HydrophobicContact CG1-CD1 3.96Å; V320-L324 WeakPolarHBondContact O-CG 3.3Å; V320-L324 PolarHBondContact O-N 2.94Å
321	L	85.3	Confident	80.4	Confident	105 Å²	105	76.8 Å²	76.8	55%	0.55	50%	0.495	S	S	.	.	H	α-helix	trans	-64.6	-38.7	177.3	-71.1	174	0	0	0	112.3	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 4Å; V317-L321 HydrophobicContact CG1-CG 4.4Å; V317-L321 WeakPolarHBondContact O-CG 3.46Å; V317-L321 PolarHBondContact O-N 3.49Å; L318-L321 PolarHBondContact O-N 2.83Å; L321-L324 PolarHBondContact O-N 3.43Å; L321-G325 PolarHBondContact O-N 3.46Å
322	A	83.3	Confident	80.3	Confident	65 Å²	65	78.6 Å²	78.6	54%	0.537	50%	0.503	S	S	.	.	H	α-helix	trans	-64.2	-42.2	175.5	0	0	0	0	0	111.8	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.49Å; L318-A322 PolarHBondContact O-N 2.8Å; A319-A322 PolarHBondContact O-N 3.16Å; V320-A322 PolarHBondContact O-N 3.22Å; A322-G325 PolarHBondContact O-N 3.24Å; A322-A326 WeakPolarHBondContact O-CB 3.4Å; A322-A326 PolarHBondContact O-N 3.02Å
323	V	83.1	Confident	79.7	Confident	94 Å²	94	78.6 Å²	78.6	57%	0.57	51%	0.506	S	S	*	.	H	α-helix	trans	-64.4	-45.3	175.8	173.3	0	0	0	0	110.8	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.44Å; A319-V323 PolarHBondContact O-N 3.32Å; V320-V323 PolarHBondContact O-N 3.06Å; V323-G325 PolarHBondContact O-N 2.98Å; V323-A326 PolarHBondContact O-N 3.3Å; V323-V327 HydrophobicContact CG1-CG2 4.46Å; V323-V327 VanDerWaalsContact O-CG2 3.29Å; V323-V327 WeakPolarHBondContact O-CG2 3.39Å; V323-V327 PolarHBondContact O-N 3.42Å
324	L	82.8	Confident	79	Confident	98 Å²	98	85.1 Å²	85.1	51%	0.513	52%	0.519	S	S	.	.	H	α-helix	trans	-61.7	-43.4	175.9	-74.1	168.9	0	0	0	111.7	V320 L321 A326 V327 V328	V320-L324 HydrophobicContact CG1-CD1 3.96Å; V320-L324 WeakPolarHBondContact O-CG 3.3Å; V320-L324 PolarHBondContact O-N 2.94Å; L321-L324 PolarHBondContact O-N 3.43Å; L324-A326 PolarHBondContact O-N 3.37Å; L324-V327 PolarHBondContact O-N 3.11Å; L324-V328 VanDerWaalsContact O-CG2 3.3Å; L324-V328 WeakPolarHBondContact O-CG2 3.19Å; L324-V328 PolarHBondContact O-N 3.21Å
325	G	81.6	Confident	77.9	Confident	41 Å²	41	93.5 Å²	93.5	42%	0.423	54%	0.54	S	S	.	.	H	α-helix	trans	-59.8	-43.3	174.9	0	0	0	0	0	112.6	L321 A322 V323 V328 A329	L321-G325 PolarHBondContact O-N 3.46Å; A322-G325 PolarHBondContact O-N 3.24Å; V323-G325 PolarHBondContact O-N 2.98Å; G325-V328 PolarHBondContact O-N 2.94Å; G325-A329 WeakPolarHBondContact O-CB 3.41Å; G325-A329 PolarHBondContact O-N 3.34Å
326	A	79.3	Confident	76.2	Confident	56 Å²	56	97 Å²	97	46%	0.463	55%	0.551	S	S	.	*	H	α-helix	trans	-64.7	-42	175.6	0	0	0	0	0	112.2	A322 V323 L324 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.4Å; A322-A326 PolarHBondContact O-N 3.02Å; V323-A326 PolarHBondContact O-N 3.3Å; L324-A326 PolarHBondContact O-N 3.37Å; A326-A329 PolarHBondContact O-N 2.9Å; A326-V330 VanDerWaalsContact O-CG2 3.3Å; A326-V330 WeakPolarHBondContact O-CG2 3.36Å; A326-V330 PolarHBondContact O-N 2.87Å
327	V	79.6	Confident	74.7	Confident	82 Å²	82	98.8 Å²	98.8	50%	0.497	56%	0.56	S	S	.	*	H	α-helix	trans	-63.3	-44.8	176.3	171.5	0	0	0	0	110.8	V323 L324 A329 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.46Å; V323-V327 VanDerWaalsContact O-CG2 3.29Å; V323-V327 WeakPolarHBondContact O-CG2 3.39Å; V323-V327 PolarHBondContact O-N 3.42Å; L324-V327 PolarHBondContact O-N 3.11Å; V327-A329 PolarHBondContact O-N 3.02Å; V327-V330 PolarHBondContact O-N 3.22Å; V327-V331 HydrophobicContact CG1-CG2 4.37Å; V327-V331 WeakPolarHBondContact O-CB 3.38Å; V327-V331 VanDerWaalsContact O-CG2 3.26Å; V327-V331 WeakPolarHBondContact O-CG2 3.48Å; V327-V331 PolarHBondContact O-N 3.09Å
328	V	78.1	Confident	73.1	Confident	84 Å²	84	99.6 Å²	99.6	51%	0.509	57%	0.57	S	S	.	*	H	α-helix	trans	-61.9	-43.8	176	172.2	0	0	0	0	110.9	L324 G325 V330 V331 M332	L324-V328 VanDerWaalsContact O-CG2 3.3Å; L324-V328 WeakPolarHBondContact O-CG2 3.19Å; L324-V328 PolarHBondContact O-N 3.21Å; G325-V328 PolarHBondContact O-N 2.94Å; V328-V330 PolarHBondContact O-N 2.94Å; V328-V331 PolarHBondContact O-N 3.37Å; V328-M332 HydrophobicContact CG1-CG 4.37Å; V328-M332 HydrophobicContact CG1-SD 4.17Å; V328-M332 WeakPolarHBondContact O-CB 3.37Å; V328-M332 WeakPolarHBondContact O-CG 3.29Å; V328-M332 PolarHBondContact O-N 3.21Å
329	A	74	Confident	71.1	Confident	52 Å²	52	97.3 Å²	97.3	43%	0.43	57%	0.573	S	S	.	*	H	α-helix	trans	-61.4	-43.3	176.4	0	0	0	0	0	112.2	G325 A326 V327 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.41Å; G325-A329 PolarHBondContact O-N 3.34Å; A326-A329 PolarHBondContact O-N 2.9Å; V327-A329 PolarHBondContact O-N 3.02Å; A329-M332 PolarHBondContact O-N 3.07Å; A329-C333 WeakPolarHBondContact O-CB 3.21Å; A329-C333 PolarHBondContact O-N 3.24Å; A329-C333 PolarHBondContact O-SG 2.99Å
330	V	74.3	Confident	68.8	Low	80 Å²	80	98.3 Å²	98.3	49%	0.485	59%	0.589	S	S	.	*	H	α-helix	trans	-65.3	-41.2	176.1	170.1	0	0	0	0	111.5	A326 V327 V328 C333 R334	A326-V330 VanDerWaalsContact O-CG2 3.3Å; A326-V330 WeakPolarHBondContact O-CG2 3.36Å; A326-V330 PolarHBondContact O-N 2.87Å; V327-V330 PolarHBondContact O-N 3.22Å; V328-V330 PolarHBondContact O-N 2.94Å; V330-C333 PolarHBondContact O-N 3.3Å; V330-R334 WeakPolarHBondContact O-CB 3.2Å; V330-R334 WeakPolarHBondContact O-CG 3.22Å; V330-R334 PolarHBondContact O-N 2.73Å
331	V	73.4	Confident	66.5	Low	79 Å²	79	104.7 Å²	104.7	48%	0.479	61%	0.609	S	S	.	*	H	α-helix	trans	-67.1	-39.7	177.2	170.9	0	0	0	0	111.3	V327 V328 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.37Å; V327-V331 WeakPolarHBondContact O-CB 3.38Å; V327-V331 VanDerWaalsContact O-CG2 3.26Å; V327-V331 WeakPolarHBondContact O-CG2 3.48Å; V327-V331 PolarHBondContact O-N 3.09Å; V328-V331 PolarHBondContact O-N 3.37Å; V331-R334 PolarHBondContact O-N 3.08Å; V331-R335 WeakPolarHBondContact O-CB 3.36Å; V331-R335 PolarHBondContact O-N 2.73Å
332	M	71.9	Confident	64.1	Low	131 Å²	131	103.1 Å²	103.1	65%	0.645	62%	0.619	S	S	*	*	H	α-helix	trans	-66.7	-41.2	174.1	-73.9	-172	71.9	0	0	112.1	V328 A329 R334 R335 K336	V328-M332 HydrophobicContact CG1-CG 4.37Å; V328-M332 HydrophobicContact CG1-SD 4.17Å; V328-M332 WeakPolarHBondContact O-CB 3.37Å; V328-M332 WeakPolarHBondContact O-CG 3.29Å; V328-M332 PolarHBondContact O-N 3.21Å; A329-M332 PolarHBondContact O-N 3.07Å; M332-R334 VanDerWaalsContact C-N 3.32Å; M332-R334 PolarHBondContact O-N 3.16Å; M332-R335 PolarHBondContact O-N 3.43Å; M332-K336 WeakPolarHBondContact O-CB 3.27Å; M332-K336 PolarHBondContact O-N 3.41Å
333	C	63.2	Low	61.6	Low	90 Å²	90	104.1 Å²	104.1	61%	0.608	64%	0.635	S	S	*	*	H	α-helix	trans	-61.9	-39.9	172.2	-80.4	0	0	0	0	111.7	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.21Å; A329-C333 PolarHBondContact O-N 3.24Å; A329-C333 PolarHBondContact O-SG 2.99Å; V330-C333 PolarHBondContact O-N 3.3Å; C333-K336 PolarHBondContact O-N 2.86Å; C333-S337 PolarHBondContact O-N 3.04Å; C333-S337 PolarHBondContact O-OG 3.2Å
334	R	61.5	Low	59.3	Low	189 Å²	189	105.3 Å²	105.3	71%	0.713	65%	0.648	S	S	*	*	H	α-helix	trans	-70.1	-34	175.7	-80.1	-173.3	156.9	165.2	-3.5	113.7	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.2Å; V330-R334 WeakPolarHBondContact O-CG 3.22Å; V330-R334 PolarHBondContact O-N 2.73Å; V331-R334 PolarHBondContact O-N 3.08Å; M332-R334 VanDerWaalsContact C-N 3.32Å; M332-R334 PolarHBondContact O-N 3.16Å; R334-K336 VanDerWaalsContact C-N 3.34Å; R334-S337 WeakPolarHBondContact CA-OG 3.46Å; R334-S337 PolarHBondContact O-OG 3.05Å; R334-S337 VanDerWaalsContact O-OG 3.13Å
335	R	57.3	Low	57.1	Low	210 Å²	210	106.4 Å²	106.4	79%	0.792	66%	0.662	S	S	*	*	H	α-helix	trans	-69.9	-30.2	170.8	-102.1	-176.8	168.8	176.4	-3.2	112.4	V331 M332 S338	V331-R335 WeakPolarHBondContact O-CB 3.36Å; V331-R335 PolarHBondContact O-N 2.73Å; M332-R335 PolarHBondContact O-N 3.43Å; R335-S338 PolarHBondContact O-OG 3.3Å
336	K	50.4	Low	54.8	Low	182 Å²	182	110.6 Å²	110.6	79%	0.791	69%	0.685	S	S	*	*	H	α-helix	trans	-82.1	-21.8	177.6	-163.2	166.8	-180	177.1	0	113	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.27Å; M332-K336 PolarHBondContact O-N 3.41Å; C333-K336 PolarHBondContact O-N 2.86Å; R334-K336 VanDerWaalsContact C-N 3.34Å
337	S	51.2	Low	52.8	Low	93 Å²	93	117.1 Å²	117.1	65%	0.65	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-0.2	175.9	61.1	0	0	0	0	115.2	C333 R334	C333-S337 PolarHBondContact O-N 3.04Å; C333-S337 PolarHBondContact O-OG 3.2Å; R334-S337 WeakPolarHBondContact CA-OG 3.46Å; R334-S337 PolarHBondContact O-OG 3.05Å; R334-S337 VanDerWaalsContact O-OG 3.13Å
338	S	50	Low	50.5	Low	104 Å²	104	117.8 Å²	117.8	73%	0.727	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	18.7	173.1	70.5	0	0	0	0	114	R335	R335-S338 PolarHBondContact O-OG 3.3Å
339	G	43.3	Very low	48.3	Very low	63 Å²	63	118.3 Å²	118.3	65%	0.649	73%	0.733	S	S	*	*	S	Bend	trans	-148.9	95.6	175.7	0	0	0	0	0	113
340	G	37.5	Very low	46.7	Very low	77 Å²	77	121.5 Å²	121.5	79%	0.794	75%	0.752	S	S	*	*			trans	90.4	92.8	148.6	0	0	0	0	0	119.2
341	K	36.1	Very low	44.8	Very low	223 Å²	223	123.2 Å²	123.2	97%	0.97	77%	0.768	S	S	*	*				40.6	119.2	119.3	-150.2	155.3	-176.9	171.5	0	119.9
342	G	33.3	Very low	43.2	Very low	73 Å²	73	127.2 Å²	127.2	75%	0.753	79%	0.787	S	S	*	*			trans	137.6	109.3	136.9	0	0	0	0	0	118.4
343	G	32.7	Very low	41.6	Very low	85 Å²	85	126.9 Å²	126.9	88%	0.876	80%	0.797	S	S	*	*			trans	60.7	152.6	148.7	0	0	0	0	0	119.1
344	S	34.7	Very low	40.5	Very low	119 Å²	119	127.1 Å²	127.1	83%	0.832	81%	0.806	S	S	*	*			cis	-162.9	153.1	-3.3	169.9	0	0	0	0	106.3
345	C	35.6	Very low	39.3	Very low	121 Å²	121	127.9 Å²	127.9	82%	0.818	82%	0.817	S	S	*	*			trans	-56.6	147.5	170.8	-78.3	0	0	0	0	113.1
346	S	34.1	Very low	38.1	Very low	130 Å²	130	120.9 Å²	120.9	91%	0.909	81%	0.811	S	S	*	*			trans	-155.4	144.4	135.9	1.6	0	0	0	0	110.7
347	Q	37.4	Very low	37.5	Very low	193 Å²	193	117.8 Å²	117.8	90%	0.902	81%	0.812	S	S	*	*			trans	-115.8	133.6	-166.5	179.2	-179.2	6.5	0	0	107
348	A	30.9	Very low	36.7	Very low	95 Å²	95	120.3 Å²	120.3	79%	0.785	82%	0.818	S	S	*	*			trans	-165.6	100.3	157.7	0	0	0	0	0	106.7
349	A	32.3	Very low	35.8	Very low	96 Å²	96	124 Å²	124	79%	0.793	82%	0.824	S	S	*	*				76.5	108	78	0	0	0	0	0	112.5
350	S	39.1	Very low	35.4	Very low	118 Å²	118	126.3 Å²	126.3	83%	0.825	83%	0.83	S	S	*	*			trans	-56.8	149.8	162.6	53.9	0	0	0	0	113.1
351	S	34.2	Very low	35.2	Very low	117 Å²	117	130.4 Å²	130.4	82%	0.818	83%	0.833	S	S	*	*			trans	-159.9	127.4	139.6	44.6	0	0	0	0	112.6
352	N	39.7	Very low	35.2	Very low	162 Å²	162	128.1 Å²	128.1	87%	0.866	83%	0.829	S	S	*	*			trans	-64.7	153.2	152.1	-78.3	-29.6	0	0	0	109.9
353	S	39.5	Very low	35.2	Very low	124 Å²	124	129 Å²	129	87%	0.867	83%	0.829	S	S	*	*			trans	-158.4	130.1	142.6	34.3	0	0	0	0	111.5
354	A	40.4	Very low	35	Very low	95 Å²	95	130.6 Å²	130.6	79%	0.785	83%	0.826	S	S	*	*			trans	-107.4	142.3	167.8	0	0	0	0	0	108.7
355	Q	36.3	Very low	35	Very low	206 Å²	206	134.6 Å²	134.6	96%	0.963	83%	0.828	S	S	*	*			trans	174.7	133.3	158.2	-109	166.3	-25.8	0	0	105.7
356	G	31	Very low	35	Very low	63 Å²	63	137 Å²	137	65%	0.649	86%	0.857	S	S	*	*			cis	139.6	125	11.9	0	0	0	0	0	108.3
357	S	37.3	Very low	35	Very low	117 Å²	117	137.4 Å²	137.4	82%	0.818	86%	0.855	S	S	*	*			trans	69.1	146.2	158.9	-29	0	0	0	0	117.6
358	D	34.5	Very low	34.9	Very low	146 Å²	146	134.5 Å²	134.5	78%	0.781	85%	0.852	S	S	*	*			cis	-168.1	165.4	14.2	-122.7	-26.1	0	0	0	110.8
359	E	31.2	Very low	35.1	Very low	181 Å²	181	136.7 Å²	136.7	85%	0.846	86%	0.856	S	S	*	*			trans	62.7	139.5	159.5	-69.8	-166.2	132.5	0	0	120.2
360	S	35.1	Very low	35.3	Very low	111 Å²	111	139.1 Å²	139.1	78%	0.776	86%	0.859	S	S	*	*			cis	-158.3	155.3	25.4	48.4	0	0	0	0	112.2
361	L	33.8	Very low	35.1	Very low	164 Å²	164	140.4 Å²	140.4	86%	0.859	86%	0.862	S	S	*	*			trans	-63.3	140.5	169.5	-73	143.1	0	0	0	112.8
362	I	35.6	Very low	35.1	Very low	175 Å²	175	141.9 Å²	141.9	90%	0.897	87%	0.865	S	S	*	*			trans	-140.8	138.9	133.7	-64	-169.7	0	0	0	109.8
363	A	32.9	Very low	34.8	Very low	91 Å²	91	140.5 Å²	140.5	75%	0.752	86%	0.864	S	S	*	*			trans	-86.4	176.6	-166.3	0	0	0	0	0	115.9
364	C	29.4	Very low	34.4	Very low	119 Å²	119	141.8 Å²	141.8	80%	0.804	86%	0.864	S	S	*	*			trans	-57	169.3	177.5	-69.8	0	0	0	0	118.3
365	K	33.6	Very low	33.9	Very low	203 Å²	203	145.7 Å²	145.7	88%	0.883	87%	0.871	S	S	*	*			trans	89.5	119.6	145.3	-89.4	175.5	176.1	-180	0	118.4
366	A	36.3	Very low	33.7	Very low	172 Å²	172	140.2 Å²	140.2	100%	1.421	86%	0.862	S	S	*	*				-135.1	0	81.4	0	0	0	0	0	109.6

Retrieved 366 of 366 residues in 98.4 ms (Link to these results)

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