A0A090KMB5_HUMAN Loading...

HLA class I antigen

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

AlphaFold DB , UniProt , Accession A0A090KMB5, 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	34.6	Very low	44.4	Very low	241 Å²	241	142.7 Å²	142.7	100%	1.187	71%	0.713	S	S	*	*				0	103.6	0	-75.2	165.5	166.7	0	0	108	V3	M1-V3 PolarHBondContact O-N 2.92Å
2	R	36.7	Very low	44.5	Very low	253 Å²	253	141.8 Å²	141.8	96%	0.955	71%	0.711	S	S	*	*			trans	-81.5	109.5	169.9	-91.1	-179.5	173.1	164.9	-2.9	106.7	M4	R2-M4 PolarHBondContact O-N 3.4Å; R2-M4 VanDerWaalsContact O-N 3.1Å
3	V	40.3	Very low	44.1	Very low	138 Å²	138	138.5 Å²	138.5	84%	0.836	70%	0.696	S	S	*	*			trans	-70.5	104.3	171.4	179.6	0	0	0	0	106.4	M1 A5	M1-V3 PolarHBondContact O-N 2.92Å; V3-A5 PolarHBondContact O-N 3.38Å
4	M	42.9	Very low	44	Very low	176 Å²	176	133.2 Å²	133.2	87%	0.867	68%	0.679	S	S	*	*			trans	-82.1	98.5	176.2	-159	165.4	67	0	0	106.5	R2	R2-M4 PolarHBondContact O-N 3.4Å; R2-M4 VanDerWaalsContact O-N 3.1Å
5	A	46.6	Very low	44	Very low	52 Å²	52	126.7 Å²	126.7	43%	0.43	66%	0.658	S	S	.	*			trans	-58.8	139.9	173.7	0	0	0	0	0	109.3	V3 R7	V3-A5 PolarHBondContact O-N 3.38Å; A5-R7 PolarHBondContact O-N 2.89Å
6	P	46.7	Very low	43.8	Very low	74 Å²	74	122 Å²	122	48%	0.481	64%	0.643	S	S	.	*			trans	-60.7	127.9	-178.7	-16.3	28.5	0	0	0	109.8	T8 L9	P6-T8 PolarHBondContact O-N 2.99Å; P6-L9 WeakPolarHBondContact O-CB 3.28Å; P6-L9 PolarHBondContact O-N 3.33Å
7	R	49.3	Very low	43.3	Very low	219 Å²	219	121.4 Å²	121.4	83%	0.826	64%	0.64	S	S	*	*	H	α-helix	trans	-52.6	-25.8	176.8	-85.8	177.3	162.7	153.8	-6.1	113.3	A5 L11	A5-R7 PolarHBondContact O-N 2.89Å; R7-L11 PolarHBondContact O-N 2.88Å
8	T	49.5	Very low	43	Very low	97 Å²	97	117.7 Å²	117.7	60%	0.595	63%	0.63	S	S	*	*	H	α-helix	trans	-67.3	-34.6	173.6	33	0	0	0	0	113.6	P6 L12	P6-T8 PolarHBondContact O-N 2.99Å; T8-L12 WeakPolarHBondContact O-CG 3.47Å; T8-L12 PolarHBondContact O-N 3.47Å
9	L	43.3	Very low	42.7	Very low	100 Å²	100	116.5 Å²	116.5	52%	0.524	62%	0.623	S	S	.	*	H	α-helix	trans	-71.7	-35.4	178.4	-135.3	98	0	0	0	111.6	P6 L13	P6-L9 WeakPolarHBondContact O-CB 3.28Å; P6-L9 PolarHBondContact O-N 3.33Å; L9-L13 WeakPolarHBondContact O-CD1 3.45Å; L9-L13 WeakPolarHBondContact O-CG 3.42Å; L9-L13 PolarHBondContact O-N 3.44Å; L9-L13 VanDerWaalsContact O-N 3.11Å
10	I	48.7	Very low	42.4	Very low	95 Å²	95	115.5 Å²	115.5	49%	0.487	62%	0.621	S	S	.	*	H	α-helix	trans	-69.9	-39.2	178.4	-61.8	173.9	0	0	0	110.7	L13 S14	I10-L13 PolarHBondContact O-N 3.44Å; I10-S14 WeakPolarHBondContact O-CB 3.24Å; I10-S14 PolarHBondContact O-N 3.37Å; I10-S14 PolarHBondContact O-OG 3.04Å
11	L	50.1	Low	42.1	Very low	125 Å²	125	117.8 Å²	117.8	65%	0.654	63%	0.628	S	S	*	*	H	α-helix	trans	-67.3	-39.7	176	-75.8	164.4	0	0	0	112.8	R7 S14 G15	R7-L11 PolarHBondContact O-N 2.88Å; L11-S14 PolarHBondContact O-N 3.3Å; L11-G15 PolarHBondContact O-N 3.3Å
12	L	45.2	Very low	42.5	Very low	131 Å²	131	111.4 Å²	111.4	69%	0.686	60%	0.602	S	S	*	*	H	α-helix	trans	-64.9	-40.4	175.1	-76.7	164.7	0	0	0	112.2	T8 S14 G15 A16	T8-L12 WeakPolarHBondContact O-CG 3.47Å; T8-L12 PolarHBondContact O-N 3.47Å; L12-S14 VanDerWaalsContact C-N 3.32Å; L12-G15 PolarHBondContact O-N 3.45Å; L12-A16 WeakPolarHBondContact O-CB 3.33Å; L12-A16 PolarHBondContact O-N 2.96Å
13	L	39.4	Very low	43.1	Very low	100 Å²	100	103.7 Å²	103.7	52%	0.524	57%	0.573	S	S	.	*	H	α-helix	trans	-67.4	-32.3	173.9	-77.4	160.8	0	0	0	112.4	L9 I10 L17	L9-L13 WeakPolarHBondContact O-CD1 3.45Å; L9-L13 WeakPolarHBondContact O-CG 3.42Å; L9-L13 PolarHBondContact O-N 3.44Å; L9-L13 VanDerWaalsContact O-N 3.11Å; I10-L13 PolarHBondContact O-N 3.44Å; L13-L17 VanDerWaalsContact O-CB 3.32Å; L13-L17 WeakPolarHBondContact O-CB 3.29Å; L13-L17 WeakPolarHBondContact O-CD1 3.47Å; L13-L17 WeakPolarHBondContact O-CG 3.37Å; L13-L17 PolarHBondContact O-N 3.42Å
14	S	43.5	Very low	43.8	Very low	64 Å²	64	99.4 Å²	99.4	45%	0.448	55%	0.553	S	S	.	*	H	α-helix	trans	-71.4	-40.2	176.4	-50.9	0	0	0	0	112	I10 L11 L12 A18	I10-S14 WeakPolarHBondContact O-CB 3.24Å; I10-S14 PolarHBondContact O-N 3.37Å; I10-S14 PolarHBondContact O-OG 3.04Å; L11-S14 PolarHBondContact O-N 3.3Å; L12-S14 VanDerWaalsContact C-N 3.32Å; S14-A18 WeakPolarHBondContact O-CB 3.44Å; S14-A18 PolarHBondContact O-N 3.33Å
15	G	43.3	Very low	45.2	Very low	36 Å²	36	94 Å²	94	37%	0.371	53%	0.531	S	S	.	.	H	α-helix	trans	-67.3	-40.6	174.5	0	0	0	0	0	112.5	L11 L12 L19	L11-G15 PolarHBondContact O-N 3.3Å; L12-G15 PolarHBondContact O-N 3.45Å; G15-L19 WeakPolarHBondContact O-CB 3.32Å; G15-L19 WeakPolarHBondContact O-CD1 3.35Å; G15-L19 PolarHBondContact O-N 3.03Å
16	A	41.1	Very low	47.3	Very low	51 Å²	51	95.1 Å²	95.1	42%	0.421	54%	0.536	S	S	.	.	H	α-helix	trans	-67.7	-40.2	175.8	0	0	0	0	0	112.8	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.33Å; L12-A16 PolarHBondContact O-N 2.96Å; A16-L19 PolarHBondContact O-N 3.37Å; A16-T20 WeakPolarHBondContact O-CG2 3.37Å; A16-T20 PolarHBondContact O-N 2.93Å; A16-T20 PolarHBondContact O-OG1 3.29Å
17	L	34.7	Very low	49.6	Very low	112 Å²	112	93 Å²	93	59%	0.586	52%	0.519	S	S	*	.	H	α-helix	trans	-66.8	-39.7	175.7	-80.4	162.2	0	0	0	112.1	L13 L19 T20 E21	L13-L17 VanDerWaalsContact O-CB 3.32Å; L13-L17 WeakPolarHBondContact O-CB 3.29Å; L13-L17 WeakPolarHBondContact O-CD1 3.47Å; L13-L17 WeakPolarHBondContact O-CG 3.37Å; L13-L17 PolarHBondContact O-N 3.42Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-T20 WeakPolarHBondContact CA-OG1 3.28Å; L17-T20 PolarHBondContact O-N 3.5Å; L17-T20 PolarHBondContact O-OG1 3.4Å; L17-E21 PolarHBondContact O-N 2.94Å
18	A	37.8	Very low	51.9	Low	55 Å²	55	83.7 Å²	83.7	46%	0.455	49%	0.488	S	S	.	.	H	α-helix	trans	-64.7	-36.3	173.3	0	0	0	0	0	112.3	S14 T22	S14-A18 WeakPolarHBondContact O-CB 3.44Å; S14-A18 PolarHBondContact O-N 3.33Å; A18-T22 WeakPolarHBondContact O-CG2 3.32Å; A18-T22 PolarHBondContact O-OG1 3.49Å
19	L	37.4	Very low	54.3	Low	95 Å²	95	79.1 Å²	79.1	50%	0.497	46%	0.46	S	S	.	.	H	α-helix	trans	-70	-30.6	174.2	-89	154.2	0	0	0	113.1	G15 A16 L17 T22	G15-L19 WeakPolarHBondContact O-CB 3.32Å; G15-L19 WeakPolarHBondContact O-CD1 3.35Å; G15-L19 PolarHBondContact O-N 3.03Å; A16-L19 PolarHBondContact O-N 3.37Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L19-T22 PolarHBondContact O-OG1 2.87Å
20	T	36.9	Very low	56.9	Low	95 Å²	95	76.7 Å²	76.7	58%	0.583	44%	0.444	S	S	*	.	H	α-helix	trans	-81.8	-29.9	177.6	51.5	0	0	0	0	113.6	A16 L17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.37Å; A16-T20 PolarHBondContact O-N 2.93Å; A16-T20 PolarHBondContact O-OG1 3.29Å; L17-T20 WeakPolarHBondContact CA-OG1 3.28Å; L17-T20 PolarHBondContact O-N 3.5Å; L17-T20 PolarHBondContact O-OG1 3.4Å; T20-T22 VanDerWaalsContact C-N 3.34Å
21	E	36.7	Very low	59.3	Low	164 Å²	164	72.5 Å²	72.5	77%	0.766	42%	0.422	S	S	*	.	H	α-helix	trans	-72.7	-25.1	176.9	-94.7	-172.9	159.2	0	0	113	L17 W23	L17-E21 PolarHBondContact O-N 2.94Å; E21-W23 VanDerWaalsContact C-N 3.25Å; E21-W23 PolarHBondContact O-N 3.33Å
22	T	42	Very low	61.6	Low	107 Å²	107	70.5 Å²	70.5	66%	0.656	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-1.1	-179	52.7	0	0	0	0	114.6	A18 L19 T20	A18-T22 WeakPolarHBondContact O-CG2 3.32Å; A18-T22 PolarHBondContact O-OG1 3.49Å; L19-T22 PolarHBondContact O-OG1 2.87Å; T20-T22 VanDerWaalsContact C-N 3.34Å
23	W	50.8	Low	64.2	Low	92 Å²	92	64.8 Å²	64.8	35%	0.348	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	11.8	-175.1	-69	67.9	0	0	0	113.5	E21 C25 H287 E288 L290	E21-W23 VanDerWaalsContact C-N 3.25Å; E21-W23 PolarHBondContact O-N 3.33Å; W23-C25 PolarHBondContact O-N 3.43Å; W23-C25 VanDerWaalsContact O-N 3.13Å; W23-H287 WeakPolarHBondContact CH2-O 3.4Å; W23-E288 HydrophobicContact CE3-CB 4.14Å; W23-E288 VanDerWaalsContact CE3-O 3.3Å; W23-E288 VanDerWaalsContact CH2-CA 3.41Å; W23-E288 HydrophobicContact CZ3-CB 4.23Å; W23-E288 WeakPolarHBondContact CZ3-O 3.44Å; W23-L290 HydrophobicContact CH2-CB 4.47Å; W23-L290 WeakPolarHBondContact CH2-O 3.44Å; W23-L290 WeakPolarHBondContact CZ3-O 3.44Å
24	A	53.7	Low	67	Low	48 Å²	48	62 Å²	62	40%	0.397	36%	0.364	S	S	.	.	S	Bend	trans	-76.8	102.5	169.3	0	0	0	0	0	106.8	S26 P129	A24-S26 PolarHBondContact O-N 3.28Å; A24-P129 HydrophobicContact CB-CB 3.76Å; A24-P129 HydrophobicContact CB-CG 3.15Å
25	C	73.1	Confident	69.6	Low	63 Å²	63	59 Å²	59	43%	0.426	34%	0.343	S	S	.	.			trans	-52.7	105.6	-172.5	-69.5	0	0	0	0	111.2	W23	W23-C25 PolarHBondContact O-N 3.43Å; W23-C25 VanDerWaalsContact O-N 3.13Å
26	S	90.6	Very high	72.2	Confident	74 Å²	74	59.7 Å²	59.7	52%	0.517	34%	0.34	S	S	.	.			trans	-85.9	146.4	166.3	57.3	0	0	0	0	109.2	A24 L127	A24-S26 PolarHBondContact O-N 3.28Å; S26-L127 VanDerWaalsContact CA-O 3.27Å; S26-L127 WeakPolarHBondContact CA-O 3.48Å; S26-L127 VanDerWaalsContact CB-O 3.32Å; S26-L127 WeakPolarHBondContact CB-O 3.35Å
27	H	95.1	Very high	74.9	Confident	30 Å²	30	58 Å²	58	14%	0.139	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	152.3	177.1	-67.4	-75.9	0	0	0	110.7	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.4Å; H27-D53 IonicContact CE1-OD2 3.41Å; H27-D53 IonicContact CG-OD2 3.54Å; H27-D53 IonicContact ND1-OD1 2.75Å; H27-D53 IonicContact ND1-OD2 2.76Å; H27-D53 PolarHBondContact ND1-OD2 3.4Å; H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.48Å; H27-L127 PolarHBondContact N-O 2.91Å; H27-L127 VanDerWaalsContact N-O 3.15Å; H27-L127 PolarHBondContact O-N 2.8Å; H27-L192 HydrophobicContact CB-CD1 4.45Å; H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 4Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.38Å
28	S	97.4	Very high	77.8	Confident	24 Å²	24	56.3 Å²	56.3	17%	0.168	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	150.3	179.3	67.7	0	0	0	0	111.9	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.58Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.45Å; S28-D53 PolarHBondContact N-OD1 3.46Å; S28-D53 PolarHBondContact O-N 3.45Å; S28-C125 WeakPolarHBondContact CA-O 3.46Å; S28-D126 WeakPolarHBondContact CB-OD1 3.15Å
29	M	98.6	Very high	80.4	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	121.4	166.9	-176.5	172.6	58.8	0	0	108.2	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.22Å; M29-Y31 HydrophobicContact CG-CE2 4.02Å; M29-Y31 HydrophobicContact SD-CE2 3.95Å; M29-Y51 WeakPolarHBondContact CA-O 3.34Å; M29-V52 HydrophobicContact CG-CG2 4.38Å; M29-F57 HydrophobicContact CG-CE1 4.44Å; M29-F57 HydrophobicContact SD-CZ 4.4Å; M29-G124 CarbonylContact O-C 3.57Å; M29-G124 WeakPolarHBondContact O-CA 3.43Å; M29-C125 PolarHBondContact N-O 3.38Å; M29-C125 PolarHBondContact O-N 3.2Å; M29-C188 HydrophobicContact CE-CB 4.2Å; M29-C188 WeakPolarHBondContact CE-O 3.41Å; M29-C188 WeakPolarHBondContact CE-SG 3.42Å; M29-W191 HydrophobicContact CE-CB 4.05Å; 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 3.97Å; M29-L192 HydrophobicContact CB-CG 4.24Å; M29-L192 HydrophobicContact CE-CB 4.31Å; M29-Y195 HydrophobicContact SD-CD2 3.77Å; M29-Y195 HydrophobicContact SD-CE2 3.58Å; M29-Y195 VanDerWaalsContact SD-CE2 3.58Å
30	R	98.6	Very high	83	Confident	50 Å²	50	56 Å²	56	19%	0.189	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	135.8	-176.3	-56.1	-62.6	-177.8	76.8	2.1	110.6	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.43Å; R30-F32 HydrophobicContact CB-CE2 3.59Å; R30-F32 HydrophobicContact CB-CZ 3.92Å; R30-G50 CarbonylContact O-C 3.54Å; R30-G50 WeakPolarHBondContact O-CA 3.42Å; R30-Y51 PolarHBondContact N-O 3.39Å; R30-Y51 PolarHBondContact O-N 3.36Å; R30-D126 IonicContact CZ-OD1 3.71Å; R30-D126 IonicContact NE-OD1 3.64Å; R30-D126 PolarHBondContact NE-OD1 2.93Å; R30-D126 VanDerWaalsContact NE-OD1 3.14Å; R30-D126 VanDerWaalsContact NH2-CG 3.27Å; R30-D126 IonicContact NH2-OD1 2.95Å; R30-D126 PolarHBondContact NH2-OD1 2.84Å; R30-D126 IonicContact NH2-OD2 3.29Å; R30-D126 PolarHBondContact NH2-OD2 3.45Å; R30-Y137 PolarHBondContact NH2-OH 2.95Å
31	Y	98.8	Very high	85.6	Confident	7 Å²	7	61.4 Å²	61.4	3%	0.027	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136.7	169.5	-69.9	-92.9	0	0	0	109.4	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.22Å; M29-Y31 HydrophobicContact CG-CE2 4.02Å; M29-Y31 HydrophobicContact SD-CE2 3.95Å; Y31-Y33 HydrophobicContact CD1-CE1 4.33Å; Y31-V49 CarbonylContact C-O 3.57Å; Y31-V49 WeakPolarHBondContact CA-O 3.37Å; Y31-F57 AromaticContact CE1-CZ 3.99Å; Y31-F57 HydrophobicContact CE1-CZ 3.99Å; Y31-F57 AromaticContact CZ-CZ 3.73Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.26Å; Y31-V58 HydrophobicContact CE1-CG1 4Å; Y31-M122 WeakPolarHBondContact O-CA 3.2Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.41Å; Y31-Y123 HydrophobicContact CD2-CD2 4.34Å; Y31-Y123 AromaticContact CD2-CE2 3.5Å; Y31-Y123 HydrophobicContact CD2-CE2 3.5Å; Y31-Y123 AromaticContact CD2-CZ 3.7Å; Y31-Y123 HydrophobicContact CE2-CE2 4.29Å; Y31-Y123 HydrophobicContact CG-CE1 4.3Å; Y31-Y123 AromaticContact CG-CE2 3.94Å; Y31-Y123 HydrophobicContact CG-CE2 3.94Å; Y31-Y123 AromaticContact CG-CZ 3.63Å; Y31-Y123 VanDerWaalsContact CG-OH 3.3Å; Y31-Y123 PolarHBondContact N-O 3.28Å; Y31-Y123 PolarHBondContact O-N 2.84Å; Y31-Y123 VanDerWaalsContact O-N 3.12Å
32	F	98.9	Very high	88.2	Confident	82 Å²	82	56.3 Å²	56.3	36%	0.36	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	119	178	-57.3	-95.9	0	0	0	109.3	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.43Å; R30-F32 HydrophobicContact CB-CE2 3.59Å; R30-F32 HydrophobicContact CB-CZ 3.92Å; F32-A48 WeakPolarHBondContact O-CA 3.18Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.3Å; F32-V49 PolarHBondContact N-O 2.9Å; F32-V49 PolarHBondContact O-N 2.98Å; F32-Y51 HydrophobicContact CD2-CD2 4.16Å; F32-Y51 HydrophobicContact CE2-CD2 4.17Å; F32-R121 CarbonylContact C-O 3.59Å; F32-R121 WeakPolarHBondContact CA-O 3.34Å; F32-M122 HydrophobicContact CD1-CB 3.92Å; F32-M122 HydrophobicContact CD1-CG 3.66Å; F32-M122 HydrophobicContact CE1-CB 4.06Å; F32-M122 HydrophobicContact CE1-CG 3.36Å; F32-M122 HydrophobicContact CG-CG 4.48Å; F32-M122 HydrophobicContact CZ-CG 3.97Å
33	Y	98.8	Very high	90.7	Very high	11 Å²	11	55.6 Å²	55.6	4%	0.043	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	141.6	177.9	-60.4	-11.8	0	0	0	109.6	Y31 F46 I47 A48 Y91 Q94 Q120 R121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.33Å; Y33-F46 HydrophobicContact CD1-CZ 4.23Å; Y33-F46 HydrophobicContact CD2-CE2 4.25Å; Y33-F46 HydrophobicContact CD2-CZ 4.05Å; Y33-F46 HydrophobicContact CE2-CZ 4.43Å; Y33-F46 HydrophobicContact CG-CE2 4.1Å; Y33-F46 AromaticContact CG-CZ 3.89Å; Y33-F46 HydrophobicContact CG-CZ 3.89Å; Y33-I47 CarbonylContact C-O 3.5Å; Y33-I47 WeakPolarHBondContact CA-O 3.43Å; Y33-A48 HydrophobicContact CD1-CB 3.34Å; Y33-A48 HydrophobicContact CE1-CB 3.47Å; Y33-A48 VanDerWaalsContact CE1-CB 3.47Å; Y33-A48 HydrophobicContact CG-CB 4.31Å; Y33-Y91 HydrophobicContact CE1-CD1 4.26Å; Y33-Y91 AromaticContact CE1-CE1 3.9Å; Y33-Y91 HydrophobicContact CE1-CE1 3.9Å; Y33-Q94 HydrophobicContact CD2-CG 3.57Å; Y33-Q94 HydrophobicContact CE2-CB 4.27Å; Y33-Q94 HydrophobicContact CE2-CG 3.61Å; Y33-Q120 VanDerWaalsContact O-CA 3.32Å; Y33-Q120 WeakPolarHBondContact O-CA 3.3Å; Y33-R121 PolarHBondContact N-O 2.94Å; Y33-R121 PolarHBondContact O-N 2.81Å; Y33-Y123 HydrophobicContact CD2-CE1 4.15Å; Y33-Y123 HydrophobicContact CE1-CE1 4.1Å; Y33-Y123 AromaticContact CE2-CE1 3.56Å; Y33-Y123 HydrophobicContact CE2-CE1 3.56Å; Y33-Y123 AromaticContact CZ-CE1 3.54Å; Y33-Y123 AromaticContact CZ-CZ 3.94Å; Y33-Y123 PolarHBondContact OH-OH 2.83Å
34	T	98.9	Very high	92.9	Very high	41 Å²	41	52.5 Å²	52.5	25%	0.252	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	120.9	176.4	-58.4	0	0	0	0	109.3	V36 F46 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 3.99Å; T34-F46 WeakPolarHBondContact O-CA 3.5Å; T34-I47 PolarHBondContact N-O 3.41Å; T34-I47 PolarHBondContact O-N 3.27Å; T34-T118 HydrophobicContact CG2-CG2 4.06Å; T34-L119 WeakPolarHBondContact CA-O 3.21Å; T34-Q120 HydrophobicContact CG2-CG 4.06Å
35	A	98.7	Very high	95	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.008	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.3	174	0	0	0	0	0	109.9	R45 F46 D98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.56Å; A35-R45 VanDerWaalsContact CA-O 3.28Å; A35-R45 WeakPolarHBondContact CA-O 3.43Å; A35-F46 HydrophobicContact CB-CD2 4.29Å; A35-D98 HydrophobicContact CB-CB 3.66Å; A35-L102 HydrophobicContact CB-CD1 3.89Å; A35-T118 WeakPolarHBondContact O-CA 2.85Å; A35-L119 HydrophobicContact CB-CB 4.45Å; A35-L119 PolarHBondContact N-O 3.35Å; A35-L119 PolarHBondContact O-N 3.21Å
36	V	98.5	Very high	96.3	Very high	51 Å²	51	51.9 Å²	51.9	31%	0.309	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	116.3	-178.6	-174.3	0	0	0	0	109.5	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 3.99Å; V36-P44 CarbonylContact O-C 3.53Å; V36-P44 WeakPolarHBondContact O-CA 3.11Å; V36-P44 WeakPolarHBondContact O-CB 3.23Å; V36-R45 PolarHBondContact N-O 3.47Å; V36-R45 PolarHBondContact O-N 2.92Å; V36-H117 WeakPolarHBondContact CA-O 3.3Å; V36-T118 HydrophobicContact CG2-CG2 4.23Å
37	S	97.7	Very high	96.6	Very high	17 Å²	17	50.3 Å²	50.3	12%	0.119	27%	0.273	C	S	.	.			trans	-71.1	143	174.9	76.6	0	0	0	0	110.7	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.44Å; S37-S116 PolarHBondContact O-OG 3.2Å; S37-H117 PolarHBondContact N-O 3.41Å; S37-H117 PolarHBondContact OG-N 3.06Å; S37-H117 PolarHBondContact OG-O 2.81Å
38	R	95.7	Very high	96.8	Very high	75 Å²	75	48.9 Å²	48.9	28%	0.283	27%	0.267	S	S	.	.			trans	-135.1	74.2	-178.8	55.4	173.9	175.9	-159.8	-12.1	111.4	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.37Å; R38-R41 HydrophobicContact CB-CB 4.09Å; R38-R41 VanDerWaalsContact CD-O 3.28Å; R38-R41 WeakPolarHBondContact CD-O 3.23Å; R38-R41 HydrophobicContact CG-CB 4.14Å; R38-R41 PolarHBondContact NE-O 3.09Å; R38-R41 VanDerWaalsContact NE-O 3.11Å; R38-R41 PolarHBondContact O-N 3.43Å; R38-E43 VanDerWaalsContact CZ-O 3.25Å; R38-E43 PolarHBondContact NE-O 3.1Å; R38-E43 PolarHBondContact NH2-O 3.17Å; R38-D63 IonicContact CZ-OD1 2.86Å; R38-D63 IonicContact CZ-OD2 3.38Å; R38-D63 IonicContact NH1-OD1 3.67Å; R38-D63 PolarHBondContact NH1-OD1 2.88Å; R38-D63 IonicContact NH1-OD2 2.81Å; R38-D63 PolarHBondContact NH1-OD2 3.33Å; R38-D63 IonicContact NH2-OD1 2.65Å; R38-D63 PolarHBondContact NH2-OD1 2.7Å; R38-D63 IonicContact NH2-OD2 3.71Å
39	P	92	Very high	96.9	Very high	53 Å²	53	48.9 Å²	48.9	34%	0.344	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	130	-177.7	-26.9	34.6	0	0	0	112.3	R41 E113 G115	P39-R41 PolarHBondContact O-N 2.87Å; P39-E113 VanDerWaalsContact CB-O 3.3Å; P39-E113 WeakPolarHBondContact CB-O 3.46Å; P39-E113 WeakPolarHBondContact CG-O 3.2Å; P39-G115 WeakPolarHBondContact CG-O 3.41Å
40	G	90.5	Very high	96.9	Very high	90 Å²	90	48.9 Å²	48.9	93%	0.928	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	1.7	-178.1	0	0	0	0	0	115.8	R38	R38-G40 PolarHBondContact O-N 3.37Å
41	R	92.6	Very high	96.9	Very high	209 Å²	209	49.9 Å²	49.9	79%	0.789	27%	0.27	S	S	*	.	S	Bend	trans	-124	22.2	-179.5	-59.3	-174.9	179.6	-175	0.2	113.6	R38 P39	R38-R41 HydrophobicContact CB-CB 4.09Å; R38-R41 VanDerWaalsContact CD-O 3.28Å; R38-R41 WeakPolarHBondContact CD-O 3.23Å; R38-R41 HydrophobicContact CG-CB 4.14Å; R38-R41 PolarHBondContact NE-O 3.09Å; R38-R41 VanDerWaalsContact NE-O 3.11Å; R38-R41 PolarHBondContact O-N 3.43Å; P39-R41 PolarHBondContact O-N 2.87Å
42	G	91.3	Very high	96.9	Very high	57 Å²	57	49.6 Å²	49.6	59%	0.588	27%	0.269	S	S	*	.	S	Bend	trans	97.6	-160.6	178.3	0	0	0	0	0	113.8
43	E	94.5	Very high	96.7	Very high	93 Å²	93	47 Å²	47	44%	0.435	26%	0.259	S	S	.	.	S	Bend	trans	-71.2	153.9	-177.1	-63.7	-57.6	165.6	0	0	112.7	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.25Å; R38-E43 PolarHBondContact NE-O 3.1Å; R38-E43 PolarHBondContact NH2-O 3.17Å; E43-R45 PolarHBondContact O-N 3.18Å; E43-R99 IonicContact OE1-CZ 3.75Å; E43-R99 IonicContact OE1-NE 3.63Å; E43-R99 IonicContact OE1-NH1 3.03Å; E43-R99 PolarHBondContact OE1-NH1 2.74Å; E43-R99 IonicContact OE1-NH2 2.71Å; E43-R99 PolarHBondContact OE1-NH2 3.21Å; E43-R99 WeakPolarHBondContact OE2-CD 3.41Å; E43-R99 IonicContact OE2-CZ 3.08Å; E43-R99 IonicContact OE2-NE 2.69Å; E43-R99 PolarHBondContact OE2-NE 3.29Å; E43-R99 IonicContact OE2-NH1 3.48Å; E43-R99 IonicContact OE2-NH2 3.07Å; E43-R99 PolarHBondContact OE2-NH2 2.98Å
44	P	97.2	Very high	96.5	Very high	27 Å²	27	49.5 Å²	49.5	18%	0.175	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-51.1	134.6	173.4	-25.9	35.1	0	0	0	111.9	V36 R99 L102	V36-P44 CarbonylContact O-C 3.53Å; V36-P44 WeakPolarHBondContact O-CA 3.11Å; V36-P44 WeakPolarHBondContact O-CB 3.23Å; P44-R99 HydrophobicContact CG-CB 4.37Å; P44-R99 HydrophobicContact CG-CG 4.09Å; P44-L102 HydrophobicContact CB-CD1 3.7Å; P44-L102 HydrophobicContact CG-CD1 3.87Å
45	R	98.3	Very high	96.4	Very high	94 Å²	94	49 Å²	49	36%	0.355	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	129.2	173.6	-177.1	-179.9	-178.5	-176	-0.5	108.4	A35 V36 E43 I47 D61 D63	A35-R45 CarbonylContact C-O 3.56Å; A35-R45 VanDerWaalsContact CA-O 3.28Å; A35-R45 WeakPolarHBondContact CA-O 3.43Å; V36-R45 PolarHBondContact N-O 3.47Å; V36-R45 PolarHBondContact O-N 2.92Å; E43-R45 PolarHBondContact O-N 3.18Å; R45-I47 HydrophobicContact CG-CG1 4.33Å; R45-D61 IonicContact CZ-OD1 3.85Å; R45-D61 IonicContact CZ-OD2 3.52Å; R45-D61 IonicContact NE-OD1 3.91Å; R45-D61 PolarHBondContact NE-OD1 3.2Å; R45-D61 VanDerWaalsContact NE-OD1 3.08Å; R45-D61 IonicContact NE-OD2 3.49Å; R45-D61 IonicContact NH2-OD1 2.78Å; R45-D61 PolarHBondContact NH2-OD1 2.83Å; R45-D61 IonicContact NH2-OD2 3.35Å; R45-D61 PolarHBondContact NH2-OD2 3.46Å; R45-D63 WeakPolarHBondContact CD-OD2 3.45Å; R45-D63 HydrophobicContact CG-CB 4.41Å; R45-D63 IonicContact NE-OD2 3.75Å
46	F	98.8	Very high	96.4	Very high	3 Å²	3	51.4 Å²	51.4	1%	0.013	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.4	177	175.7	-93.8	0	0	0	110	Y33 T34 A35 A48 F60 S62 Y91 Q94 A95 D98	Y33-F46 HydrophobicContact CD1-CZ 4.23Å; Y33-F46 HydrophobicContact CD2-CE2 4.25Å; Y33-F46 HydrophobicContact CD2-CZ 4.05Å; Y33-F46 HydrophobicContact CE2-CZ 4.43Å; Y33-F46 HydrophobicContact CG-CE2 4.1Å; Y33-F46 AromaticContact CG-CZ 3.89Å; Y33-F46 HydrophobicContact CG-CZ 3.89Å; T34-F46 WeakPolarHBondContact O-CA 3.5Å; A35-F46 HydrophobicContact CB-CD2 4.29Å; F46-A48 HydrophobicContact CE1-CB 3.76Å; F46-A48 HydrophobicContact CZ-CB 3.93Å; F46-F60 AromaticContact CD1-CD1 3.7Å; F46-F60 HydrophobicContact CD1-CD1 3.7Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.91Å; F46-F60 HydrophobicContact CE1-CD1 3.91Å; F46-F60 HydrophobicContact CE1-CE1 4.27Å; F46-S62 PolarHBondContact N-OG 3.34Å; F46-S62 PolarHBondContact O-N 2.98Å; F46-S62 PolarHBondContact O-OG 3.33Å; F46-Y91 HydrophobicContact CE1-CD1 4.43Å; F46-Q94 HydrophobicContact CE2-CB 4.29Å; F46-Q94 HydrophobicContact CE2-CG 3.74Å; F46-Q94 HydrophobicContact CZ-CB 3.96Å; F46-Q94 HydrophobicContact CZ-CG 3.77Å; F46-A95 HydrophobicContact CB-CB 3.69Å; F46-A95 HydrophobicContact CD1-CB 3.75Å; F46-A95 HydrophobicContact CD2-CB 4.19Å; F46-A95 HydrophobicContact CE1-CB 4.43Å; F46-A95 HydrophobicContact CG-CB 3.61Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.41Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.41Å
47	I	98.8	Very high	96.4	Very high	42 Å²	42	49 Å²	49	22%	0.215	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	132.8	175.2	-56.7	174.5	0	0	0	107.6	Y33 T34 R45 V49 F60	Y33-I47 CarbonylContact C-O 3.5Å; Y33-I47 WeakPolarHBondContact CA-O 3.43Å; T34-I47 PolarHBondContact N-O 3.41Å; T34-I47 PolarHBondContact O-N 3.27Å; R45-I47 HydrophobicContact CG-CG1 4.33Å; I47-V49 HydrophobicContact CG2-CG1 4.46Å; I47-F60 WeakPolarHBondContact CA-O 3.32Å
48	A	98.8	Very high	96.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.5	170.8	0	0	0	0	0	110.1	F32 Y33 F46 R59 F60 Y91	F32-A48 WeakPolarHBondContact O-CA 3.18Å; Y33-A48 HydrophobicContact CD1-CB 3.34Å; Y33-A48 HydrophobicContact CE1-CB 3.47Å; Y33-A48 VanDerWaalsContact CE1-CB 3.47Å; Y33-A48 HydrophobicContact CG-CB 4.31Å; F46-A48 HydrophobicContact CE1-CB 3.76Å; F46-A48 HydrophobicContact CZ-CB 3.93Å; A48-R59 CarbonylContact O-C 3.6Å; A48-R59 WeakPolarHBondContact O-CA 3.36Å; A48-F60 HydrophobicContact CB-CB 4.24Å; A48-F60 PolarHBondContact N-O 2.96Å; A48-F60 PolarHBondContact O-N 2.94Å; A48-Y91 HydrophobicContact CB-CD1 3.62Å; A48-Y91 HydrophobicContact CB-CE1 3.62Å; A48-Y91 HydrophobicContact CB-CG 4.48Å
49	V	98.8	Very high	96.5	Very high	24 Å²	24	48 Å²	48	15%	0.145	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	146.2	172.1	-62.3	0	0	0	0	109.7	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 CarbonylContact C-O 3.57Å; Y31-V49 WeakPolarHBondContact CA-O 3.37Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.3Å; F32-V49 PolarHBondContact N-O 2.9Å; F32-V49 PolarHBondContact O-N 2.98Å; I47-V49 HydrophobicContact CG2-CG1 4.46Å; V49-Y51 HydrophobicContact CB-CE2 4.13Å; V49-Y51 HydrophobicContact CG2-CD2 4.39Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.25Å; V49-V58 WeakPolarHBondContact CA-O 3.37Å; V49-R59 HydrophobicContact CG1-CG 4.28Å
50	G	98.7	Very high	96.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	140.7	175.8	0	0	0	0	0	110.9	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.54Å; R30-G50 WeakPolarHBondContact O-CA 3.42Å; G50-Q56 WeakPolarHBondContact O-CA 3.5Å; G50-F57 WeakPolarHBondContact O-CD1 3.44Å; G50-F57 PolarHBondContact O-N 3.41Å; G50-V58 PolarHBondContact N-O 2.94Å; G50-V58 PolarHBondContact O-N 2.97Å
51	Y	98.6	Very high	97.2	Very high	71 Å²	71	42.5 Å²	42.5	28%	0.278	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	142.6	-179.3	-75.1	-102.1	0	0	0	110.3	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.34Å; R30-Y51 PolarHBondContact N-O 3.39Å; R30-Y51 PolarHBondContact O-N 3.36Å; F32-Y51 HydrophobicContact CD2-CD2 4.16Å; F32-Y51 HydrophobicContact CE2-CD2 4.17Å; V49-Y51 HydrophobicContact CB-CE2 4.13Å; V49-Y51 HydrophobicContact CG2-CD2 4.39Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; Y51-T55 WeakPolarHBondContact CA-O 2.93Å; Y51-T55 VanDerWaalsContact CD1-C 3.46Å; Y51-Q56 HydrophobicContact CD1-CB 3.98Å; Y51-Q56 VanDerWaalsContact CD1-N 3.28Å; Y51-Q56 HydrophobicContact CD2-CG 4.37Å; Y51-Q56 HydrophobicContact CE1-CB 3.48Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.48Å; Y51-Q56 HydrophobicContact CE1-CG 4.18Å; Y51-Q56 HydrophobicContact CE2-CB 4.12Å; Y51-Q56 HydrophobicContact CE2-CG 3.88Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å
52	V	98.1	Very high	97.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119.8	156.5	176.3	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 3.45Å; M29-V52 HydrophobicContact CG-CG2 4.38Å; V52-D54 PolarHBondContact O-N 3.05Å; V52-T55 PolarHBondContact N-O 3.01Å; V52-T55 WeakPolarHBondContact O-CB 3.48Å; V52-T55 PolarHBondContact O-N 2.96Å; V52-F57 HydrophobicContact CG2-CD1 4.01Å; V52-F57 HydrophobicContact CG2-CE1 4.06Å; V52-W75 HydrophobicContact CB-CH2 4.37Å; V52-W75 HydrophobicContact CB-CZ2 4.44Å; V52-W75 HydrophobicContact CG2-CH2 3.85Å; V52-W75 HydrophobicContact CG2-CZ2 4.4Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; V52-Y195 HydrophobicContact CG2-CD2 3.95Å; V52-Y195 HydrophobicContact CG2-CG 4.42Å; V52-L196 HydrophobicContact CG1-CD2 4.04Å; V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.18Å; V52-L203 HydrophobicContact CG1-CD1 3.87Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å
53	D	95.6	Very high	97.8	Very high	28 Å²	28	34.8 Å²	34.8	15%	0.15	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	-124.4	-166.9	-53.1	-39.2	0	0	0	110.4	H27 S28	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.4Å; H27-D53 IonicContact CE1-OD2 3.41Å; H27-D53 IonicContact CG-OD2 3.54Å; H27-D53 IonicContact ND1-OD1 2.75Å; H27-D53 IonicContact ND1-OD2 2.76Å; H27-D53 PolarHBondContact ND1-OD2 3.4Å; S28-D53 PolarHBondContact N-OD1 3.46Å; S28-D53 PolarHBondContact O-N 3.45Å
54	D	95.5	Very high	97.9	Very high	64 Å²	64	32 Å²	32	34%	0.342	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	8.8	179	-61.6	-54.8	0	0	0	113.6	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.05Å; D54-Y233 HydrophobicContact CB-CE2 4.07Å; D54-P234 VanDerWaalsContact OD2-CB 3.22Å; D54-P234 WeakPolarHBondContact OD2-CB 3.44Å; D54-A235 HydrophobicContact CB-CB 4.33Å; D54-A235 WeakPolarHBondContact OD2-CB 3.49Å; D54-A235 PolarHBondContact OD2-N 3.3Å; D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.7Å
55	T	96.4	Very high	97.9	Very high	30 Å²	30	36.2 Å²	36.2	18%	0.184	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	113.6	-177.1	-61.4	0	0	0	0	111.9	Y51 V52 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 2.93Å; Y51-T55 VanDerWaalsContact CD1-C 3.46Å; V52-T55 PolarHBondContact N-O 3.01Å; V52-T55 WeakPolarHBondContact O-CB 3.48Å; V52-T55 PolarHBondContact O-N 2.96Å; T55-F57 PolarHBondContact O-N 3.48Å; T55-A73 HydrophobicContact CG2-CB 4.41Å; T55-L203 HydrophobicContact CG2-CD2 4.12Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.46Å; T55-Y233 PolarHBondContact OG1-OH 3.11Å
56	Q	97.5	Very high	97.8	Very high	52 Å²	52	35.6 Å²	35.6	24%	0.243	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	128.4	173.4	-165.7	-178.6	1.1	0	0	110.5	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.25Å; G50-Q56 WeakPolarHBondContact O-CA 3.5Å; Y51-Q56 HydrophobicContact CD1-CB 3.98Å; Y51-Q56 VanDerWaalsContact CD1-N 3.28Å; Y51-Q56 HydrophobicContact CD2-CG 4.37Å; Y51-Q56 HydrophobicContact CE1-CB 3.48Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.48Å; Y51-Q56 HydrophobicContact CE1-CG 4.18Å; Y51-Q56 HydrophobicContact CE2-CB 4.12Å; Y51-Q56 HydrophobicContact CE2-CG 3.88Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å; Q56-V58 PolarHBondContact NE2-O 2.89Å; Q56-R72 HydrophobicContact CB-CB 4.46Å; Q56-R72 HydrophobicContact CG-CB 4.12Å; Q56-R72 HydrophobicContact CG-CG 4.35Å; Q56-R72 CarbonylContact O-C 3.55Å
57	F	98.1	Very high	97.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	-20.4	179.2	75.7	-88.1	0	0	0	114.4	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.44Å; M29-F57 HydrophobicContact SD-CZ 4.4Å; Y31-F57 AromaticContact CE1-CZ 3.99Å; Y31-F57 HydrophobicContact CE1-CZ 3.99Å; Y31-F57 AromaticContact CZ-CZ 3.73Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.26Å; G50-F57 WeakPolarHBondContact O-CD1 3.44Å; G50-F57 PolarHBondContact O-N 3.41Å; V52-F57 HydrophobicContact CG2-CD1 4.01Å; V52-F57 HydrophobicContact CG2-CE1 4.06Å; T55-F57 PolarHBondContact O-N 3.48Å; F57-R72 PolarHBondContact O-N 3.05Å; F57-A73 HydrophobicContact CB-CB 4.1Å; F57-W75 HydrophobicContact CB-CH2 3.11Å; F57-W75 HydrophobicContact CB-CZ2 3.38Å; F57-W75 HydrophobicContact CB-CZ3 3.89Å; F57-W75 AromaticContact CD1-CH2 3.95Å; F57-W75 HydrophobicContact CD1-CH2 3.95Å; F57-W75 AromaticContact CD2-CH2 3.97Å; F57-W75 HydrophobicContact CD2-CH2 3.97Å; F57-W75 HydrophobicContact CD2-CZ3 4.2Å; F57-W75 AromaticContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CH2 3.43Å; F57-W75 VanDerWaalsContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CZ2 4.16Å; F57-W75 HydrophobicContact CG-CZ3 4.12Å; F57-V76 HydrophobicContact CB-CG1 4.42Å; F57-V76 HydrophobicContact CD2-CB 4.44Å; F57-V76 HydrophobicContact CD2-CG1 4.48Å; F57-V76 HydrophobicContact CD2-CG2 4.11Å; F57-V76 VanDerWaalsContact O-CG1 3.3Å; F57-V76 WeakPolarHBondContact O-CG1 3.25Å; F57-Y195 AromaticContact CE2-CE2 3.88Å; F57-Y195 HydrophobicContact CE2-CE2 3.88Å; F57-Y195 HydrophobicContact CZ-CD2 4.47Å; F57-Y195 AromaticContact CZ-CE2 3.9Å; F57-Y195 HydrophobicContact CZ-CE2 3.9Å
58	V	98.3	Very high	97.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	148.7	179.8	65.3	0	0	0	0	112.1	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG1 4Å; V49-V58 WeakPolarHBondContact CA-O 3.37Å; G50-V58 PolarHBondContact N-O 2.94Å; G50-V58 PolarHBondContact O-N 2.97Å; Q56-V58 PolarHBondContact NE2-O 2.89Å; V58-E70 WeakPolarHBondContact CA-O 3.26Å; V58-W84 HydrophobicContact CG2-CZ3 4.1Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.32Å; V58-Y91 HydrophobicContact CG2-CE2 4.16Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.42Å
59	R	98.4	Very high	97.5	Very high	72 Å²	72	42.7 Å²	42.7	27%	0.272	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	146.4	171.2	-177.4	177.3	172	104.7	5.8	110.9	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.6Å; A48-R59 WeakPolarHBondContact O-CA 3.36Å; V49-R59 HydrophobicContact CG1-CG 4.28Å; R59-D61 IonicContact NH2-OD2 3.64Å; R59-D61 PolarHBondContact NH2-OD2 3.03Å; R59-E70 PolarHBondContact N-O 2.92Å; R59-E70 PolarHBondContact O-N 2.95Å; R59-R72 HydrophobicContact CB-CG 3.92Å
60	F	98.8	Very high	97.5	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	141.5	164.9	176.8	-83.2	0	0	0	109.3	F46 I47 A48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.7Å; F46-F60 HydrophobicContact CD1-CD1 3.7Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.91Å; F46-F60 HydrophobicContact CE1-CD1 3.91Å; F46-F60 HydrophobicContact CE1-CE1 4.27Å; I47-F60 WeakPolarHBondContact CA-O 3.32Å; A48-F60 HydrophobicContact CB-CB 4.24Å; A48-F60 PolarHBondContact N-O 2.96Å; A48-F60 PolarHBondContact O-N 2.94Å; F60-P67 HydrophobicContact CE2-CB 3.87Å; F60-P67 HydrophobicContact CZ-CB 3.67Å; F60-R68 WeakPolarHBondContact CD2-O 3.43Å; F60-Y91 HydrophobicContact CB-CD1 4.34Å; F60-Y91 HydrophobicContact CB-CD2 3.6Å; F60-Y91 HydrophobicContact CB-CE2 4.07Å; F60-Y91 HydrophobicContact CB-CG 3.77Å; F60-Y91 HydrophobicContact CD1-CG 4.41Å; F60-Y91 AromaticContact CD2-CD2 3.75Å; F60-Y91 HydrophobicContact CD2-CD2 3.75Å; F60-Y91 AromaticContact CD2-CG 3.98Å; F60-Y91 HydrophobicContact CD2-CG 3.98Å; F60-Y91 AromaticContact CG-CD2 3.85Å; F60-Y91 HydrophobicContact CG-CD2 3.85Å; F60-Y91 AromaticContact CG-CG 3.8Å; F60-Y91 HydrophobicContact CG-CG 3.8Å; F60-K92 HydrophobicContact CE2-CG 4.29Å; F60-K92 HydrophobicContact CZ-CG 4.08Å
61	D	98.6	Very high	97.5	Very high	23 Å²	23	46.5 Å²	46.5	12%	0.123	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	121	175.7	-161.4	-31.5	0	0	0	109.5	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.85Å; R45-D61 IonicContact CZ-OD2 3.52Å; R45-D61 IonicContact NE-OD1 3.91Å; R45-D61 PolarHBondContact NE-OD1 3.2Å; R45-D61 VanDerWaalsContact NE-OD1 3.08Å; R45-D61 IonicContact NE-OD2 3.49Å; R45-D61 IonicContact NH2-OD1 2.78Å; R45-D61 PolarHBondContact NH2-OD1 2.83Å; R45-D61 IonicContact NH2-OD2 3.35Å; R45-D61 PolarHBondContact NH2-OD2 3.46Å; R59-D61 IonicContact NH2-OD2 3.64Å; R59-D61 PolarHBondContact NH2-OD2 3.03Å; D61-D63 PolarHBondContact O-N 2.98Å; D61-D63 PolarHBondContact OD1-N 3.38Å; D61-A64 HydrophobicContact CB-CB 4.41Å; D61-A64 WeakPolarHBondContact O-CB 3.17Å; D61-A64 PolarHBondContact O-N 3.25Å
62	S	98.3	Very high	97.4	Very high	35 Å²	35	49 Å²	49	25%	0.245	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-22.4	-179	68.1	0	0	0	0	113.4	F46 A64 P67	F46-S62 PolarHBondContact N-OG 3.34Å; F46-S62 PolarHBondContact O-N 2.98Å; F46-S62 PolarHBondContact O-OG 3.33Å; S62-A64 VanDerWaalsContact C-N 3.35Å; S62-P67 WeakPolarHBondContact O-CG 3.42Å
63	D	97.3	Very high	97.3	Very high	68 Å²	68	49.1 Å²	49.1	36%	0.364	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-2.1	179.9	-79.9	3.8	0	0	0	112.5	R38 R45 D61	R38-D63 IonicContact CZ-OD1 2.86Å; R38-D63 IonicContact CZ-OD2 3.38Å; R38-D63 IonicContact NH1-OD1 3.67Å; R38-D63 PolarHBondContact NH1-OD1 2.88Å; R38-D63 IonicContact NH1-OD2 2.81Å; R38-D63 PolarHBondContact NH1-OD2 3.33Å; R38-D63 IonicContact NH2-OD1 2.65Å; R38-D63 PolarHBondContact NH2-OD1 2.7Å; R38-D63 IonicContact NH2-OD2 3.71Å; R45-D63 WeakPolarHBondContact CD-OD2 3.45Å; R45-D63 HydrophobicContact CG-CB 4.41Å; R45-D63 IonicContact NE-OD2 3.75Å; D61-D63 PolarHBondContact O-N 2.98Å; D61-D63 PolarHBondContact OD1-N 3.38Å
64	A	97.1	Very high	97.3	Very high	34 Å²	34	52.6 Å²	52.6	28%	0.281	29%	0.294	S	S	.	.	S	Bend	trans	-62.8	149.7	173	0	0	0	0	0	111	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.41Å; D61-A64 WeakPolarHBondContact O-CB 3.17Å; D61-A64 PolarHBondContact O-N 3.25Å; S62-A64 VanDerWaalsContact C-N 3.35Å; A64-S66 PolarHBondContact O-N 2.69Å; A64-P67 VanDerWaalsContact O-CD 3.22Å; A64-P67 WeakPolarHBondContact O-CD 3.25Å; A64-P67 VanDerWaalsContact O-CG 3.28Å; A64-P67 WeakPolarHBondContact O-CG 3.41Å
65	A	96.5	Very high	97.3	Very high	116 Å²	116	50.3 Å²	50.3	96%	0.959	28%	0.281	S	S	*	.	S	Bend	trans	-59	-31.7	179.6	0	0	0	0	0	113
66	S	95.9	Very high	97.3	Very high	82 Å²	82	48.9 Å²	48.9	57%	0.573	27%	0.272	S	S	*	.	S	Bend	trans	-133.4	88.6	171.9	-173.2	0	0	0	0	109.2	A64 R68	A64-S66 PolarHBondContact O-N 2.69Å; S66-R68 PolarHBondContact O-N 3.17Å; S66-R68 VanDerWaalsContact O-N 3.08Å
67	P	96.9	Very high	97.2	Very high	36 Å²	36	52.2 Å²	52.2	23%	0.234	29%	0.288	C	S	.	.			trans	-64.4	110.9	-175.4	-23.9	35.1	0	0	0	112	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.87Å; F60-P67 HydrophobicContact CZ-CB 3.67Å; S62-P67 WeakPolarHBondContact O-CG 3.42Å; A64-P67 VanDerWaalsContact O-CD 3.22Å; A64-P67 WeakPolarHBondContact O-CD 3.25Å; A64-P67 VanDerWaalsContact O-CG 3.28Å; A64-P67 WeakPolarHBondContact O-CG 3.41Å; P67-K92 WeakPolarHBondContact O-CE 3.39Å; P67-K92 PolarHBondContact O-NZ 3.31Å
68	R	97.7	Very high	97	Very high	152 Å²	152	58 Å²	58	57%	0.574	32%	0.315	S	S	*	.			trans	-146	160.3	177	64.2	-177	175.9	172.5	0.6	110.9	F60 S66 E70 T88	F60-R68 WeakPolarHBondContact CD2-O 3.43Å; S66-R68 PolarHBondContact O-N 3.17Å; S66-R68 VanDerWaalsContact O-N 3.08Å; R68-E70 HydrophobicContact CG-CG 4.37Å; R68-E70 PolarHBondContact O-N 3.14Å; R68-T88 HydrophobicContact CB-CG2 4.18Å
69	G	97.4	Very high	96.9	Very high	5 Å²	5	58.6 Å²	58.6	5%	0.052	32%	0.318	C	S	.	.			trans	-64.9	128.6	168.3	0	0	0	0	0	109.5	T88	G69-T88 PolarHBondContact N-OG1 2.8Å
70	E	97.6	Very high	96.8	Very high	58 Å²	58	56.8 Å²	56.8	27%	0.271	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	132.8	-179.1	-64.8	177.9	165	0	0	109.9	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.26Å; R59-E70 PolarHBondContact N-O 2.92Å; R59-E70 PolarHBondContact O-N 2.95Å; R68-E70 HydrophobicContact CG-CG 4.37Å; R68-E70 PolarHBondContact O-N 3.14Å; E70-R72 IonicContact OE2-CZ 3.77Å; E70-R72 IonicContact OE2-NH2 3.72Å; E70-R72 PolarHBondContact OE2-NH2 2.63Å
71	P	97.9	Very high	96.7	Very high	47 Å²	47	61.2 Å²	61.2	31%	0.305	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	145.1	172.5	28.5	-34	0	0	0	110.7	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.76Å; P71-E77 HydrophobicContact CB-CG 3.73Å; P71-E77 HydrophobicContact CG-CG 3.99Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 3.79Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; P71-W84 HydrophobicContact CG-CZ2 4.25Å
72	R	97.3	Very high	96.6	Very high	123 Å²	123	67.9 Å²	67.9	46%	0.464	38%	0.381	S	S	.	.			trans	-127.4	-0.7	174.9	-61.1	-65.4	171.2	175.1	-3.5	113.2	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.46Å; Q56-R72 HydrophobicContact CG-CB 4.12Å; Q56-R72 HydrophobicContact CG-CG 4.35Å; Q56-R72 CarbonylContact O-C 3.55Å; F57-R72 PolarHBondContact O-N 3.05Å; R59-R72 HydrophobicContact CB-CG 3.92Å; E70-R72 IonicContact OE2-CZ 3.77Å; E70-R72 IonicContact OE2-NH2 3.72Å; E70-R72 PolarHBondContact OE2-NH2 2.63Å
73	A	95.8	Very high	96.6	Very high	3 Å²	3	66.6 Å²	66.6	3%	0.025	37%	0.371	C	S	.	.	S	Bend	trans	-138	143.9	173.8	0	0	0	0	0	110.8	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.41Å; F57-A73 HydrophobicContact CB-CB 4.1Å; A73-W75 VanDerWaalsContact C-N 3.3Å; A73-W75 HydrophobicContact CB-CD2 4.14Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 3.95Å; A73-W75 PolarHBondContact O-N 2.86Å; A73-V76 WeakPolarHBondContact O-CG1 3.36Å; A73-V76 PolarHBondContact O-N 2.71Å
74	P	95.8	Very high	96.6	Very high	101 Å²	101	65.1 Å²	65.1	66%	0.656	36%	0.36	S	S	*	.	H	α-helix	trans	-58.3	-38	-177.1	-26.5	34.8	0	0	0	113.9	V76 E77	P74-V76 PolarHBondContact O-N 3.38Å; P74-E77 WeakPolarHBondContact O-CB 3.38Å; P74-E77 PolarHBondContact O-N 2.81Å; P74-E77 VanDerWaalsContact O-N 3.08Å
75	W	95.6	Very high	96.7	Very high	15 Å²	15	68.7 Å²	68.7	6%	0.057	37%	0.374	C	S	.	.	H	α-helix	trans	-69.6	-13.3	-176	53	-106.5	0	0	0	114.6	V52 F57 A73 Q78 Y195 N198 T202 L203	V52-W75 HydrophobicContact CB-CH2 4.37Å; V52-W75 HydrophobicContact CB-CZ2 4.44Å; V52-W75 HydrophobicContact CG2-CH2 3.85Å; V52-W75 HydrophobicContact CG2-CZ2 4.4Å; F57-W75 HydrophobicContact CB-CH2 3.11Å; F57-W75 HydrophobicContact CB-CZ2 3.38Å; F57-W75 HydrophobicContact CB-CZ3 3.89Å; F57-W75 AromaticContact CD1-CH2 3.95Å; F57-W75 HydrophobicContact CD1-CH2 3.95Å; F57-W75 AromaticContact CD2-CH2 3.97Å; F57-W75 HydrophobicContact CD2-CH2 3.97Å; F57-W75 HydrophobicContact CD2-CZ3 4.2Å; F57-W75 AromaticContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CH2 3.43Å; F57-W75 VanDerWaalsContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CZ2 4.16Å; F57-W75 HydrophobicContact CG-CZ3 4.12Å; A73-W75 VanDerWaalsContact C-N 3.3Å; A73-W75 HydrophobicContact CB-CD2 4.14Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 3.95Å; A73-W75 PolarHBondContact O-N 2.86Å; W75-Q78 WeakPolarHBondContact O-CG 3.33Å; W75-Y195 HydrophobicContact CE3-CD1 4.21Å; W75-Y195 HydrophobicContact CE3-CG 4.47Å; 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 4.33Å; W75-Y195 HydrophobicContact CZ3-CE1 4.29Å; W75-Y195 AromaticContact CZ3-CG 3.59Å; W75-Y195 HydrophobicContact CZ3-CG 3.59Å; W75-N198 HydrophobicContact CB-CB 4.38Å; W75-T202 VanDerWaalsContact CD1-OG1 3.24Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.41Å; W75-L203 HydrophobicContact CZ2-CD1 3.85Å; W75-L203 HydrophobicContact CZ2-CD2 4.17Å; W75-L203 HydrophobicContact CZ2-CG 4.42Å
76	V	96.9	Very high	96.7	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-95.3	-15.3	172.5	79.6	0	0	0	0	112.2	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.42Å; F57-V76 HydrophobicContact CD2-CB 4.44Å; F57-V76 HydrophobicContact CD2-CG1 4.48Å; F57-V76 HydrophobicContact CD2-CG2 4.11Å; F57-V76 VanDerWaalsContact O-CG1 3.3Å; F57-V76 WeakPolarHBondContact O-CG1 3.25Å; P71-V76 HydrophobicContact CB-CG1 3.76Å; A73-V76 WeakPolarHBondContact O-CG1 3.36Å; A73-V76 PolarHBondContact O-N 2.71Å; P74-V76 PolarHBondContact O-N 3.38Å; V76-Q78 PolarHBondContact O-N 2.93Å; V76-E79 HydrophobicContact CG2-CG 3.87Å; V76-E79 WeakPolarHBondContact O-CB 3.47Å; V76-E79 WeakPolarHBondContact O-CG 3.48Å; V76-E79 PolarHBondContact O-N 3.05Å; V76-Y83 HydrophobicContact CG2-CE1 4.16Å; V76-W84 HydrophobicContact CG1-CH2 3.9Å; V76-W84 HydrophobicContact CG1-CZ2 4.11Å; V76-W84 HydrophobicContact CG2-CH2 4.14Å; V76-W84 HydrophobicContact CG2-CZ2 4.16Å; V76-W84 WeakPolarHBondContact O-CZ2 3.04Å; V76-Y195 HydrophobicContact CG2-CE1 4.22Å
77	E	95.1	Very high	96.8	Very high	123 Å²	123	64.4 Å²	64.4	58%	0.575	32%	0.321	S	S	*	.	H	α-helix	trans	-63.7	-26.1	179.6	-64.9	-177.3	179.4	0	0	112.7	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.73Å; P71-E77 HydrophobicContact CG-CG 3.99Å; P74-E77 WeakPolarHBondContact O-CB 3.38Å; P74-E77 PolarHBondContact O-N 2.81Å; P74-E77 VanDerWaalsContact O-N 3.08Å; E77-E79 PolarHBondContact O-N 2.93Å
78	Q	94.1	Very high	96.9	Very high	122 Å²	122	63.2 Å²	63.2	57%	0.57	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-11.5	175.3	67.5	-178.8	16.5	0	0	114.1	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.33Å; V76-Q78 PolarHBondContact O-N 2.93Å; Q78-N198 VanDerWaalsContact NE2-CB 3.3Å; Q78-N198 PolarHBondContact NE2-ND2 3.41Å; Q78-N198 PolarHBondContact NE2-OD1 3.2Å
79	E	96.4	Very high	96.9	Very high	12 Å²	12	61 Å²	61	6%	0.056	31%	0.309	C	S	.	.	S	Bend	trans	-65.8	135.5	174.5	-66.4	-62.1	153.7	0	0	110.8	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.87Å; V76-E79 WeakPolarHBondContact O-CB 3.47Å; V76-E79 WeakPolarHBondContact O-CG 3.48Å; V76-E79 PolarHBondContact O-N 3.05Å; E77-E79 PolarHBondContact O-N 2.93Å; E79-Y83 HydrophobicContact CB-CD1 3.51Å; E79-Y83 HydrophobicContact CB-CD2 4.46Å; E79-Y83 HydrophobicContact CB-CE1 4.1Å; E79-Y83 HydrophobicContact CB-CG 3.73Å; E79-Y83 HydrophobicContact CG-CD1 4.05Å; E79-Y83 HydrophobicContact CG-CD2 4.41Å; E79-Y83 HydrophobicContact CG-CE1 4.25Å; E79-Y83 HydrophobicContact CG-CG 4.15Å; E79-W84 PolarHBondContact O-NE1 3.15Å; E79-R194 IonicContact OE1-CZ 3.53Å; E79-R194 VanDerWaalsContact OE1-CZ 3.3Å; E79-R194 IonicContact OE1-NE 2.74Å; E79-R194 PolarHBondContact OE1-NE 3.13Å; E79-R194 IonicContact OE1-NH2 2.97Å; E79-R194 PolarHBondContact OE1-NH2 2.8Å; E79-R194 IonicContact OE2-CZ 3.36Å; E79-R194 IonicContact OE2-NE 3.32Å; E79-R194 IonicContact OE2-NH2 3.79Å; E79-R194 PolarHBondContact OE2-NH2 2.89Å; E79-N198 PolarHBondContact OE1-ND2 3Å
80	G	95.7	Very high	96.9	Very high	34 Å²	34	63.9 Å²	63.9	35%	0.351	32%	0.32	S	S	.	.			trans	-70.1	170.5	-174.5	0	0	0	0	0	114.4	E82 Y83 W84	G80-E82 VanDerWaalsContact C-N 3.25Å; G80-E82 PolarHBondContact O-N 3.27Å; G80-Y83 WeakPolarHBondContact O-CB 2.94Å; G80-Y83 PolarHBondContact O-N 2.84Å; G80-W84 PolarHBondContact O-N 3.02Å
81	P	96.8	Very high	96.9	Very high	97 Å²	97	61.1 Å²	61.1	63%	0.63	31%	0.307	S	S	*	.	H	α-helix	trans	-58	-35.5	-178.3	22.9	-33.5	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 3.31Å; P81-W84 PolarHBondContact O-N 2.96Å; P81-W84 VanDerWaalsContact O-N 3.16Å; P81-D85 WeakPolarHBondContact O-CB 3.36Å; P81-D85 PolarHBondContact O-N 2.98Å
82	E	97.3	Very high	97	Very high	163 Å²	163	62.9 Å²	62.9	76%	0.762	31%	0.31	S	S	*	.	H	α-helix	trans	-60.3	-35.5	177.8	-63	-178.1	178.6	0	0	112.9	G80 R86	G80-E82 VanDerWaalsContact C-N 3.25Å; G80-E82 PolarHBondContact O-N 3.27Å; E82-R86 VanDerWaalsContact O-CB 3.22Å; E82-R86 WeakPolarHBondContact O-CB 3.33Å; E82-R86 PolarHBondContact O-N 2.9Å
83	Y	97.4	Very high	97	Very high	7 Å²	7	65.1 Å²	65.1	3%	0.027	32%	0.319	C	S	.	.	H	α-helix	trans	-64.6	-52.2	174.5	168.9	-91.4	0	0	0	110	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.16Å; E79-Y83 HydrophobicContact CB-CD1 3.51Å; E79-Y83 HydrophobicContact CB-CD2 4.46Å; E79-Y83 HydrophobicContact CB-CE1 4.1Å; E79-Y83 HydrophobicContact CB-CG 3.73Å; E79-Y83 HydrophobicContact CG-CD1 4.05Å; E79-Y83 HydrophobicContact CG-CD2 4.41Å; E79-Y83 HydrophobicContact CG-CE1 4.25Å; E79-Y83 HydrophobicContact CG-CG 4.15Å; G80-Y83 WeakPolarHBondContact O-CB 2.94Å; G80-Y83 PolarHBondContact O-N 2.84Å; P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 3.31Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 2.93Å; Y83-R86 PolarHBondContact O-N 3.05Å; Y83-E87 HydrophobicContact CD1-CG 4.39Å; Y83-E87 HydrophobicContact CD2-CG 4.21Å; Y83-E87 HydrophobicContact CE1-CG 4Å; Y83-E87 HydrophobicContact CE2-CG 3.77Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CG 3.39Å; Y83-E87 PolarHBondContact O-N 3.03Å; Y83-W191 AromaticContact CD2-CH2 3.55Å; Y83-W191 HydrophobicContact CD2-CH2 3.55Å; Y83-W191 HydrophobicContact CD2-CZ2 4.29Å; Y83-W191 AromaticContact CD2-CZ3 3.75Å; Y83-W191 HydrophobicContact CD2-CZ3 3.75Å; Y83-W191 HydrophobicContact CE2-CE3 4.22Å; Y83-W191 AromaticContact CE2-CH2 3.91Å; Y83-W191 HydrophobicContact CE2-CH2 3.91Å; Y83-W191 AromaticContact CE2-CZ3 3.71Å; Y83-W191 HydrophobicContact CE2-CZ3 3.71Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.22Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.39Å; Y83-Y195 PolarHBondContact OH-OH 2.86Å
84	W	97.9	Very high	97.1	Very high	38 Å²	38	66.8 Å²	66.8	14%	0.144	33%	0.326	C	S	.	.	H	α-helix	trans	-64.3	-38.1	-177.6	-67.8	112	0	0	0	113.1	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 4.1Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 3.79Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; P71-W84 HydrophobicContact CG-CZ2 4.25Å; V76-W84 HydrophobicContact CG1-CH2 3.9Å; V76-W84 HydrophobicContact CG1-CZ2 4.11Å; V76-W84 HydrophobicContact CG2-CH2 4.14Å; V76-W84 HydrophobicContact CG2-CZ2 4.16Å; V76-W84 WeakPolarHBondContact O-CZ2 3.04Å; E79-W84 PolarHBondContact O-NE1 3.15Å; G80-W84 PolarHBondContact O-N 3.02Å; P81-W84 PolarHBondContact O-N 2.96Å; P81-W84 VanDerWaalsContact O-N 3.16Å; W84-T88 WeakPolarHBondContact O-CB 3.2Å; W84-T88 PolarHBondContact O-N 3.22Å; W84-T88 PolarHBondContact O-OG1 2.94Å
85	D	97.9	Very high	97.2	Very high	108 Å²	108	62.9 Å²	62.9	58%	0.578	30%	0.302	S	S	*	.	H	α-helix	trans	-64.4	-47.1	174.3	-75.6	-22.7	0	0	0	110.7	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.36Å; P81-D85 PolarHBondContact O-N 2.98Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 2.93Å; D85-T88 PolarHBondContact O-N 3.37Å; D85-Q89 VanDerWaalsContact O-CG 3.3Å; D85-Q89 WeakPolarHBondContact O-CG 3.1Å; D85-Q89 PolarHBondContact O-N 3.06Å
86	R	97.4	Very high	97.4	Very high	103 Å²	103	67.3 Å²	67.3	39%	0.389	32%	0.323	S	S	.	.	H	α-helix	trans	-61.6	-47.4	178.3	-176.1	-178.5	65.7	-141.6	-4.6	112	E82 Y83 Q89 K90	E82-R86 VanDerWaalsContact O-CB 3.22Å; E82-R86 WeakPolarHBondContact O-CB 3.33Å; E82-R86 PolarHBondContact O-N 2.9Å; Y83-R86 PolarHBondContact O-N 3.05Å; R86-Q89 PolarHBondContact O-N 3.08Å; R86-K90 WeakPolarHBondContact O-CG 3.23Å; R86-K90 PolarHBondContact O-N 2.82Å
87	E	97.5	Very high	97.4	Very high	6 Å²	6	69.4 Å²	69.4	3%	0.028	34%	0.341	C	S	.	.	H	α-helix	trans	-65.7	-41.6	179	-64.6	-43.5	118.8	0	0	111.2	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.39Å; Y83-E87 HydrophobicContact CD2-CG 4.21Å; Y83-E87 HydrophobicContact CE1-CG 4Å; Y83-E87 HydrophobicContact CE2-CG 3.77Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CG 3.39Å; Y83-E87 PolarHBondContact O-N 3.03Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 3.06Å; E87-K90 WeakPolarHBondContact O-CB 3.43Å; E87-K90 PolarHBondContact O-N 2.88Å; E87-K90 VanDerWaalsContact O-N 3.13Å; E87-K90 IonicContact OE1-NZ 3.45Å; E87-K90 PolarHBondContact OE1-NZ 3.4Å; E87-K90 WeakPolarHBondContact OE2-CD 3.47Å; E87-K90 IonicContact OE2-NZ 3.44Å; E87-K90 PolarHBondContact OE2-NZ 3.13Å; E87-Y91 HydrophobicContact CB-CE2 4.06Å; E87-Y91 WeakPolarHBondContact O-CD2 3.45Å; E87-Y91 PolarHBondContact O-N 3.16Å
88	T	98.4	Very high	97.5	Very high	10 Å²	10	63.9 Å²	63.9	6%	0.061	32%	0.315	C	S	.	.	H	α-helix	trans	-57.5	-44.2	173.8	-64.5	0	0	0	0	112	R68 G69 W84 D85 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.18Å; G69-T88 PolarHBondContact N-OG1 2.8Å; W84-T88 WeakPolarHBondContact O-CB 3.2Å; W84-T88 PolarHBondContact O-N 3.22Å; W84-T88 PolarHBondContact O-OG1 2.94Å; D85-T88 PolarHBondContact O-N 3.37Å; T88-Y91 PolarHBondContact O-N 2.86Å; T88-K92 HydrophobicContact CG2-CD 4.16Å; T88-K92 WeakPolarHBondContact O-CG 3.31Å; T88-K92 PolarHBondContact O-N 2.87Å
89	Q	98.3	Very high	97.7	Very high	105 Å²	105	61.3 Å²	61.3	49%	0.491	30%	0.3	S	S	.	.	H	α-helix	trans	-68.4	-34.4	177.4	-67.7	-57.6	-29.1	0	0	112.7	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.3Å; D85-Q89 WeakPolarHBondContact O-CG 3.1Å; D85-Q89 PolarHBondContact O-N 3.06Å; R86-Q89 PolarHBondContact O-N 3.08Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 3.06Å; Q89-R93 WeakPolarHBondContact O-CB 3.48Å; Q89-R93 WeakPolarHBondContact O-CG 3.17Å; Q89-R93 PolarHBondContact O-N 2.68Å
90	K	97.6	Very high	97.8	Very high	66 Å²	66	64 Å²	64	29%	0.287	32%	0.318	S	S	.	.	H	α-helix	trans	-61.6	-49.4	171.9	-74	172.6	178.7	172.8	0	111.1	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.23Å; R86-K90 PolarHBondContact O-N 2.82Å; E87-K90 WeakPolarHBondContact O-CB 3.43Å; E87-K90 PolarHBondContact O-N 2.88Å; E87-K90 VanDerWaalsContact O-N 3.13Å; E87-K90 IonicContact OE1-NZ 3.45Å; E87-K90 PolarHBondContact OE1-NZ 3.4Å; E87-K90 WeakPolarHBondContact OE2-CD 3.47Å; E87-K90 IonicContact OE2-NZ 3.44Å; E87-K90 PolarHBondContact OE2-NZ 3.13Å; K90-K92 VanDerWaalsContact C-N 3.35Å; K90-K92 PolarHBondContact O-N 3.35Å; K90-R93 PolarHBondContact O-N 2.86Å; K90-Q94 PolarHBondContact O-N 3.06Å
91	Y	98.5	Very high	97.9	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60.3	-42.6	177.8	-63.1	-48.2	0	0	0	112.5	Y33 F46 A48 V58 F60 E87 T88 R93 Q94 A95	Y33-Y91 HydrophobicContact CE1-CD1 4.26Å; Y33-Y91 AromaticContact CE1-CE1 3.9Å; Y33-Y91 HydrophobicContact CE1-CE1 3.9Å; F46-Y91 HydrophobicContact CE1-CD1 4.43Å; A48-Y91 HydrophobicContact CB-CD1 3.62Å; A48-Y91 HydrophobicContact CB-CE1 3.62Å; A48-Y91 HydrophobicContact CB-CG 4.48Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.32Å; V58-Y91 HydrophobicContact CG2-CE2 4.16Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.42Å; F60-Y91 HydrophobicContact CB-CD1 4.34Å; F60-Y91 HydrophobicContact CB-CD2 3.6Å; F60-Y91 HydrophobicContact CB-CE2 4.07Å; F60-Y91 HydrophobicContact CB-CG 3.77Å; F60-Y91 HydrophobicContact CD1-CG 4.41Å; F60-Y91 AromaticContact CD2-CD2 3.75Å; F60-Y91 HydrophobicContact CD2-CD2 3.75Å; F60-Y91 AromaticContact CD2-CG 3.98Å; F60-Y91 HydrophobicContact CD2-CG 3.98Å; F60-Y91 AromaticContact CG-CD2 3.85Å; F60-Y91 HydrophobicContact CG-CD2 3.85Å; F60-Y91 AromaticContact CG-CG 3.8Å; F60-Y91 HydrophobicContact CG-CG 3.8Å; E87-Y91 HydrophobicContact CB-CE2 4.06Å; E87-Y91 WeakPolarHBondContact O-CD2 3.45Å; E87-Y91 PolarHBondContact O-N 3.16Å; T88-Y91 PolarHBondContact O-N 2.86Å; Y91-R93 PolarHBondContact O-N 2.89Å; Y91-Q94 PolarHBondContact O-N 3.27Å; Y91-A95 WeakPolarHBondContact O-CB 3.46Å; Y91-A95 PolarHBondContact O-N 2.91Å
92	K	98.3	Very high	97.9	Very high	85 Å²	85	60.3 Å²	60.3	37%	0.37	29%	0.288	S	S	.	.	H	α-helix	trans	-63	-41.3	176.4	-74	178.3	178.8	176.9	0	112.6	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.29Å; F60-K92 HydrophobicContact CZ-CG 4.08Å; P67-K92 WeakPolarHBondContact O-CE 3.39Å; P67-K92 PolarHBondContact O-NZ 3.31Å; T88-K92 HydrophobicContact CG2-CD 4.16Å; T88-K92 WeakPolarHBondContact O-CG 3.31Å; T88-K92 PolarHBondContact O-N 2.87Å; K90-K92 VanDerWaalsContact C-N 3.35Å; K90-K92 PolarHBondContact O-N 3.35Å; K92-Q96 WeakPolarHBondContact O-CG 3.37Å; K92-Q96 PolarHBondContact O-N 2.83Å
93	R	98.3	Very high	97.9	Very high	169 Å²	169	58.3 Å²	58.3	64%	0.638	27%	0.273	S	S	*	.	H	α-helix	trans	-65.1	-43.3	175	-75.5	-173.2	-66.9	176	0.6	111.7	Q89 K90 Y91 Q96 A97	Q89-R93 WeakPolarHBondContact O-CB 3.48Å; Q89-R93 WeakPolarHBondContact O-CG 3.17Å; Q89-R93 PolarHBondContact O-N 2.68Å; K90-R93 PolarHBondContact O-N 2.86Å; Y91-R93 PolarHBondContact O-N 2.89Å; R93-Q96 PolarHBondContact O-N 2.03Å; R93-A97 PolarHBondContact O-N 2.83Å
94	Q	98.3	Very high	97.8	Very high	39 Å²	39	61.6 Å²	61.6	18%	0.182	29%	0.291	C	S	.	.	H	α-helix	trans	-63.3	-43.3	176.8	-172.4	67.4	48.7	0	0	111.9	Y33 F46 K90 Y91 Q96 A97 D98	Y33-Q94 HydrophobicContact CD2-CG 3.57Å; Y33-Q94 HydrophobicContact CE2-CB 4.27Å; Y33-Q94 HydrophobicContact CE2-CG 3.61Å; F46-Q94 HydrophobicContact CE2-CB 4.29Å; F46-Q94 HydrophobicContact CE2-CG 3.74Å; F46-Q94 HydrophobicContact CZ-CB 3.96Å; F46-Q94 HydrophobicContact CZ-CG 3.77Å; K90-Q94 PolarHBondContact O-N 3.06Å; Y91-Q94 PolarHBondContact O-N 3.27Å; Q94-Q96 VanDerWaalsContact C-N 3.25Å; Q94-Q96 PolarHBondContact O-N 2.81Å; Q94-A97 CarbonylContact O-C 3.59Å; Q94-A97 WeakPolarHBondContact O-CA 3.28Å; Q94-A97 WeakPolarHBondContact O-CB 3.41Å; Q94-A97 PolarHBondContact O-N 2.79Å; Q94-D98 PolarHBondContact NE2-OD1 2.85Å; Q94-D98 PolarHBondContact O-N 2.97Å
95	A	98.3	Very high	97.8	Very high	18 Å²	18	60.1 Å²	60.1	15%	0.149	29%	0.286	C	S	.	.	H	α-helix	trans	-57.2	-39.2	176.7	0	0	0	0	0	112.3	F46 Y91 R99	F46-A95 HydrophobicContact CB-CB 3.69Å; F46-A95 HydrophobicContact CD1-CB 3.75Å; F46-A95 HydrophobicContact CD2-CB 4.19Å; F46-A95 HydrophobicContact CE1-CB 4.43Å; F46-A95 HydrophobicContact CG-CB 3.61Å; Y91-A95 WeakPolarHBondContact O-CB 3.46Å; Y91-A95 PolarHBondContact O-N 2.91Å; A95-R99 WeakPolarHBondContact O-CB 3.45Å; A95-R99 PolarHBondContact O-N 2.81Å
96	Q	98	Very high	97.8	Very high	108 Å²	108	58 Å²	58	51%	0.505	27%	0.27	S	S	.	.	H	α-helix	trans	-69.4	-40.3	174.1	-65.5	-57.8	-33.1	0	0	112.4	K92 R93 Q94 R99 V100	K92-Q96 WeakPolarHBondContact O-CG 3.37Å; K92-Q96 PolarHBondContact O-N 2.83Å; R93-Q96 PolarHBondContact O-N 2.03Å; Q94-Q96 VanDerWaalsContact C-N 3.25Å; Q94-Q96 PolarHBondContact O-N 2.81Å; Q96-R99 WeakPolarHBondContact O-CB 3.45Å; Q96-R99 PolarHBondContact O-N 3.18Å; Q96-V100 PolarHBondContact O-N 2.89Å
97	A	97.9	Very high	97.7	Very high	44 Å²	44	55.1 Å²	55.1	36%	0.364	27%	0.273	S	S	.	.	H	α-helix	trans	-61.2	-48.3	175.3	0	0	0	0	0	111.1	R93 Q94 R99 V100 S101	R93-A97 PolarHBondContact O-N 2.83Å; Q94-A97 CarbonylContact O-C 3.59Å; Q94-A97 WeakPolarHBondContact O-CA 3.28Å; Q94-A97 WeakPolarHBondContact O-CB 3.41Å; Q94-A97 PolarHBondContact O-N 2.79Å; A97-R99 VanDerWaalsContact C-N 3.3Å; A97-R99 PolarHBondContact O-N 3.43Å; A97-V100 CarbonylContact O-C 3.6Å; A97-V100 WeakPolarHBondContact O-CA 3.34Å; A97-V100 WeakPolarHBondContact O-CB 3.32Å; A97-V100 PolarHBondContact O-N 2.79Å; A97-S101 PolarHBondContact O-N 2.94Å; A97-S101 PolarHBondContact O-OG 2.98Å; A97-S101 VanDerWaalsContact O-OG 3.13Å
98	D	98.1	Very high	97.7	Very high	8 Å²	8	57.6 Å²	57.6	4%	0.043	28%	0.282	C	S	.	.	H	α-helix	trans	-64.4	-34.8	179.8	-73	-3.4	0	0	0	112.2	A35 F46 Q94 V100 S101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.66Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.41Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.41Å; Q94-D98 PolarHBondContact NE2-OD1 2.85Å; Q94-D98 PolarHBondContact O-N 2.97Å; D98-V100 VanDerWaalsContact C-N 3.29Å; D98-V100 PolarHBondContact O-N 3.42Å; D98-S101 PolarHBondContact O-N 3.29Å; D98-L102 WeakPolarHBondContact O-CB 3.47Å; D98-L102 VanDerWaalsContact O-CG 3.3Å; D98-L102 WeakPolarHBondContact O-CG 3.38Å; D98-L102 PolarHBondContact O-N 3.35Å; D98-L119 HydrophobicContact CB-CD2 4.19Å
99	R	97.6	Very high	97.7	Very high	68 Å²	68	60.1 Å²	60.1	26%	0.257	29%	0.291	S	S	.	.	H	α-helix	trans	-59.9	-39.1	171.3	178.9	-167.6	174.2	-174.7	2.6	112.3	E43 P44 A95 Q96 A97 R103	E43-R99 IonicContact OE1-CZ 3.75Å; E43-R99 IonicContact OE1-NE 3.63Å; E43-R99 IonicContact OE1-NH1 3.03Å; E43-R99 PolarHBondContact OE1-NH1 2.74Å; E43-R99 IonicContact OE1-NH2 2.71Å; E43-R99 PolarHBondContact OE1-NH2 3.21Å; E43-R99 WeakPolarHBondContact OE2-CD 3.41Å; E43-R99 IonicContact OE2-CZ 3.08Å; E43-R99 IonicContact OE2-NE 2.69Å; E43-R99 PolarHBondContact OE2-NE 3.29Å; E43-R99 IonicContact OE2-NH1 3.48Å; E43-R99 IonicContact OE2-NH2 3.07Å; E43-R99 PolarHBondContact OE2-NH2 2.98Å; P44-R99 HydrophobicContact CG-CB 4.37Å; P44-R99 HydrophobicContact CG-CG 4.09Å; A95-R99 WeakPolarHBondContact O-CB 3.45Å; A95-R99 PolarHBondContact O-N 2.81Å; Q96-R99 WeakPolarHBondContact O-CB 3.45Å; Q96-R99 PolarHBondContact O-N 3.18Å; A97-R99 VanDerWaalsContact C-N 3.3Å; A97-R99 PolarHBondContact O-N 3.43Å; R99-R103 PolarHBondContact O-NE 2.94Å
100	V	97.5	Very high	97.6	Very high	69 Å²	69	62.3 Å²	62.3	42%	0.418	31%	0.306	S	S	.	.	H	α-helix	trans	-73.6	-42.6	175.7	175.4	0	0	0	0	110.1	Q96 A97 D98 L102 R103 N104	Q96-V100 PolarHBondContact O-N 2.89Å; A97-V100 CarbonylContact O-C 3.6Å; A97-V100 WeakPolarHBondContact O-CA 3.34Å; A97-V100 WeakPolarHBondContact O-CB 3.32Å; A97-V100 PolarHBondContact O-N 2.79Å; D98-V100 VanDerWaalsContact C-N 3.29Å; D98-V100 PolarHBondContact O-N 3.42Å; V100-L102 PolarHBondContact O-N 2.88Å; V100-R103 WeakPolarHBondContact O-CB 3.33Å; V100-R103 PolarHBondContact O-N 3.22Å; V100-R103 VanDerWaalsContact O-N 3.13Å; V100-N104 PolarHBondContact O-N 2.95Å
101	S	97.9	Very high	97.6	Very high	43 Å²	43	62 Å²	62	30%	0.301	31%	0.306	S	S	.	.	H	α-helix	trans	-58.3	-45.8	176.8	-61.9	0	0	0	0	112.1	A97 D98 R103 N104 L105	A97-S101 PolarHBondContact O-N 2.94Å; A97-S101 PolarHBondContact O-OG 2.98Å; A97-S101 VanDerWaalsContact O-OG 3.13Å; D98-S101 PolarHBondContact O-N 3.29Å; S101-R103 VanDerWaalsContact C-N 3.26Å; S101-R103 PolarHBondContact O-N 2.9Å; S101-N104 PolarHBondContact O-N 3.43Å; S101-N104 VanDerWaalsContact O-N 3.11Å; S101-L105 WeakPolarHBondContact O-CB 3.34Å; S101-L105 VanDerWaalsContact O-CG 3.24Å; S101-L105 WeakPolarHBondContact O-CG 3.49Å; S101-L105 PolarHBondContact O-N 2.99Å
102	L	98.1	Very high	97.4	Very high	9 Å²	9	65.2 Å²	65.2	5%	0.047	33%	0.328	C	S	.	.	H	α-helix	trans	-57.5	-38	175.7	-77.4	167.6	0	0	0	112.5	A35 P44 D98 V100 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.89Å; P44-L102 HydrophobicContact CB-CD1 3.7Å; P44-L102 HydrophobicContact CG-CD1 3.87Å; D98-L102 WeakPolarHBondContact O-CB 3.47Å; D98-L102 VanDerWaalsContact O-CG 3.3Å; D98-L102 WeakPolarHBondContact O-CG 3.38Å; D98-L102 PolarHBondContact O-N 3.35Å; V100-L102 PolarHBondContact O-N 2.88Å; L102-R106 WeakPolarHBondContact O-CB 3.38Å; L102-R106 PolarHBondContact O-N 2.93Å; L102-R106 VanDerWaalsContact O-N 3.17Å; L102-H117 HydrophobicContact CD2-CB 4.31Å; L102-L119 HydrophobicContact CD2-CB 3.7Å; L102-L119 HydrophobicContact CG-CB 4.13Å; L102-Y142 HydrophobicContact CD2-CE2 4.04Å
103	R	96.1	Very high	96.9	Very high	122 Å²	122	67.5 Å²	67.5	46%	0.46	34%	0.34	S	S	.	.	H	α-helix	trans	-69.2	-42.1	175.4	-75.2	-176.9	-93.7	171.5	-7.3	112.1	R99 V100 S101 G107	R99-R103 PolarHBondContact O-NE 2.94Å; V100-R103 WeakPolarHBondContact O-CB 3.33Å; V100-R103 PolarHBondContact O-N 3.22Å; V100-R103 VanDerWaalsContact O-N 3.13Å; S101-R103 VanDerWaalsContact C-N 3.26Å; S101-R103 PolarHBondContact O-N 2.9Å; R103-G107 PolarHBondContact O-N 3.35Å
104	N	96.9	Very high	96.6	Very high	75 Å²	75	65.3 Å²	65.3	40%	0.401	35%	0.345	S	S	.	.	H	α-helix	trans	-65.9	-46.7	178	-69.1	-19.6	0	0	0	111.7	V100 S101 R106 G107 Y108	V100-N104 PolarHBondContact O-N 2.95Å; S101-N104 PolarHBondContact O-N 3.43Å; S101-N104 VanDerWaalsContact O-N 3.11Å; N104-R106 PolarHBondContact O-N 2.63Å; N104-G107 CarbonylContact O-C 3.59Å; N104-G107 WeakPolarHBondContact O-CA 3.49Å; N104-G107 PolarHBondContact O-N 2.93Å; N104-Y108 WeakPolarHBondContact O-CD1 3.47Å; N104-Y108 PolarHBondContact O-N 3.47Å
105	L	97.8	Very high	96.3	Very high	7 Å²	7	64.3 Å²	64.3	4%	0.037	35%	0.346	C	S	.	.	H	α-helix	trans	-59.9	-47.2	179.8	-70.8	167.2	0	0	0	110.9	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.34Å; S101-L105 VanDerWaalsContact O-CG 3.24Å; S101-L105 WeakPolarHBondContact O-CG 3.49Å; S101-L105 PolarHBondContact O-N 2.99Å; L105-G107 PolarHBondContact O-N 2.81Å; L105-Y108 HydrophobicContact CD2-CD2 4.46Å; L105-Y108 PolarHBondContact O-N 2.84Å; L105-Y109 HydrophobicContact CD2-CE2 4.22Å; L105-Y109 WeakPolarHBondContact O-CD2 3.17Å; L105-Y109 PolarHBondContact O-N 2.85Å; L105-L119 HydrophobicContact CD1-CD1 3.87Å; L105-L119 HydrophobicContact CD1-CD2 4.27Å; L105-Y142 HydrophobicContact CB-CD1 4.4Å; L105-Y142 HydrophobicContact CB-CD2 4.24Å; L105-Y142 HydrophobicContact CB-CE1 4.03Å; L105-Y142 HydrophobicContact CB-CE2 3.88Å; L105-Y142 HydrophobicContact CB-CG 4.48Å; L105-Y142 HydrophobicContact CD1-CD2 3.61Å; L105-Y142 HydrophobicContact CD1-CE2 3.94Å; L105-Y142 HydrophobicContact CD1-CG 4.05Å; L105-Y142 HydrophobicContact CG-CD2 4.46Å; L105-Y147 HydrophobicContact CD2-CD1 4.33Å; L105-Y147 HydrophobicContact CD2-CD2 4.22Å; L105-Y147 HydrophobicContact CD2-CE1 3.71Å; L105-Y147 HydrophobicContact CD2-CE2 3.57Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.49Å
106	R	96.6	Very high	96.3	Very high	63 Å²	63	66.9 Å²	66.9	24%	0.238	36%	0.363	C	S	.	.	H	α-helix	trans	-52.5	-41.7	173.5	-172.3	-174.2	67.6	176.4	10.8	112.1	L102 N104 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.38Å; L102-R106 PolarHBondContact O-N 2.93Å; L102-R106 VanDerWaalsContact O-N 3.17Å; N104-R106 PolarHBondContact O-N 2.63Å; R106-N110 PolarHBondContact O-N 3.28Å; R106-N110 VanDerWaalsContact O-N 3.15Å; R106-Q111 HydrophobicContact CG-CB 3.81Å; R106-Q111 WeakPolarHBondContact CG-O 3.45Å; R106-Q111 PolarHBondContact O-N 3.2Å; R106-E113 IonicContact CZ-OE1 2.62Å; R106-E113 IonicContact NH1-OE1 3.43Å; R106-E113 IonicContact NH2-OE1 3.64Å; R106-E113 PolarHBondContact NH2-OE1 3.46Å
107	G	96.4	Very high	96.3	Very high	44 Å²	44	62.6 Å²	62.6	45%	0.454	34%	0.343	S	S	.	.	H	α-helix	trans	-66.5	-45.4	175.3	0	0	0	0	0	113.1	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.35Å; N104-G107 CarbonylContact O-C 3.59Å; N104-G107 WeakPolarHBondContact O-CA 3.49Å; N104-G107 PolarHBondContact O-N 2.93Å; L105-G107 PolarHBondContact O-N 2.81Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 2.62Å; G107-N110 PolarHBondContact O-N 3.25Å; G107-N110 VanDerWaalsContact O-N 3.14Å; G107-N110 PolarHBondContact O-OD1 2.95Å
108	Y	97.8	Very high	96.3	Very high	57 Å²	57	62.3 Å²	62.3	22%	0.224	34%	0.337	C	S	.	.	H	α-helix	trans	-61.6	-34.8	178.9	-64.3	-12.2	0	0	0	112.9	N104 L105 I166 K170	N104-Y108 WeakPolarHBondContact O-CD1 3.47Å; N104-Y108 PolarHBondContact O-N 3.47Å; L105-Y108 HydrophobicContact CD2-CD2 4.46Å; L105-Y108 PolarHBondContact O-N 2.84Å; Y108-I166 HydrophobicContact CD1-CD1 4.13Å; Y108-I166 HydrophobicContact CD2-CD1 4.42Å; Y108-I166 HydrophobicContact CE1-CD1 4.39Å; Y108-I166 HydrophobicContact CE1-CG2 4.09Å; Y108-I166 HydrophobicContact CE2-CB 4.19Å; Y108-I166 HydrophobicContact CE2-CG2 4.03Å; Y108-I166 HydrophobicContact CG-CD1 4.15Å; Y108-K170 PolarHBondContact OH-NZ 3.4Å
109	Y	97.7	Very high	96.4	Very high	64 Å²	64	62.5 Å²	62.5	25%	0.251	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	4.6	178.2	-67.5	-72.4	0	0	0	114	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.22Å; L105-Y109 WeakPolarHBondContact O-CD2 3.17Å; L105-Y109 PolarHBondContact O-N 2.85Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 2.62Å; Y109-Q111 PolarHBondContact O-N 2.82Å; Y109-Y142 AromaticContact CD2-CD1 3.71Å; Y109-Y142 HydrophobicContact CD2-CD1 3.71Å; Y109-Y142 AromaticContact CD2-CE1 3.49Å; Y109-Y142 HydrophobicContact CD2-CE1 3.49Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.49Å; Y109-Y142 AromaticContact CE2-CD1 3.44Å; Y109-Y142 HydrophobicContact CE2-CD1 3.44Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.44Å; Y109-Y142 AromaticContact CE2-CE1 3.75Å; Y109-Y142 HydrophobicContact CE2-CE1 3.75Å; Y109-Y142 HydrophobicContact CE2-CG 4.44Å; Y109-Y142 HydrophobicContact CG-CE1 4.42Å; Y109-Y147 HydrophobicContact CE2-CE2 4.22Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.25Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.13Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.26Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.29Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.29Å; Y109-D161 PolarHBondContact OH-OD1 2.98Å; Y109-D161 PolarHBondContact OH-OD2 3.02Å; Y109-A163 HydrophobicContact CD1-CB 4.09Å; Y109-A163 HydrophobicContact CD2-CB 4.49Å; Y109-A163 HydrophobicContact CE1-CB 3.53Å; Y109-A163 HydrophobicContact CE2-CB 3.99Å; Y109-A163 VanDerWaalsContact CZ-CB 3.48Å
110	N	96.5	Very high	96.4	Very high	151 Å²	151	63 Å²	63	81%	0.807	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	40.2	-178	-57.2	-57.3	0	0	0	113.6	R106 G107	R106-N110 PolarHBondContact O-N 3.28Å; R106-N110 VanDerWaalsContact O-N 3.15Å; G107-N110 PolarHBondContact O-N 3.25Å; G107-N110 VanDerWaalsContact O-N 3.14Å; G107-N110 PolarHBondContact O-OD1 2.95Å
111	Q	96.7	Very high	96.5	Very high	60 Å²	60	61 Å²	61	28%	0.28	33%	0.328	S	S	.	.			trans	-89	152.7	-175.9	-70.6	166.5	-31.5	0	0	112.3	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.81Å; R106-Q111 WeakPolarHBondContact CG-O 3.45Å; R106-Q111 PolarHBondContact O-N 3.2Å; Y109-Q111 PolarHBondContact O-N 2.82Å; Q111-H117 PolarHBondContact NE2-CE1 3.2Å; Q111-H117 PolarHBondContact OE1-CE1 2.92Å; Q111-Y142 PolarHBondContact OE1-OH 3.14Å; Q111-D143 PolarHBondContact NE2-OD2 3.27Å
112	S	93.7	Very high	96.5	Very high	66 Å²	66	60 Å²	60	46%	0.462	32%	0.319	S	S	.	.			trans	-67.2	153.7	-179.7	72.9	0	0	0	0	113.1	T114	S112-T114 VanDerWaalsContact C-N 3.26Å; S112-T114 PolarHBondContact O-N 3.15Å; S112-T114 PolarHBondContact OG-OG1 3.47Å
113	E	89.8	Confident	96.6	Very high	134 Å²	134	60.3 Å²	60.3	63%	0.626	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-18.7	177.3	-56.3	-152.7	125.5	0	0	114.4	P39 R106 G115	P39-E113 VanDerWaalsContact CB-O 3.3Å; P39-E113 WeakPolarHBondContact CB-O 3.46Å; P39-E113 WeakPolarHBondContact CG-O 3.2Å; R106-E113 IonicContact CZ-OE1 2.62Å; R106-E113 IonicContact NH1-OE1 3.43Å; R106-E113 IonicContact NH2-OE1 3.64Å; R106-E113 PolarHBondContact NH2-OE1 3.46Å; E113-G115 VanDerWaalsContact C-N 3.35Å
114	T	91.1	Very high	96.7	Very high	122 Å²	122	54.5 Å²	54.5	75%	0.748	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-14.4	-177.8	47.3	0	0	0	0	113.1	S112	S112-T114 VanDerWaalsContact C-N 3.26Å; S112-T114 PolarHBondContact O-N 3.15Å; S112-T114 PolarHBondContact OG-OG1 3.47Å
115	G	92.9	Very high	96.7	Very high	19 Å²	19	51 Å²	51	20%	0.196	28%	0.278	C	S	.	.			trans	-74.9	133.9	179.4	0	0	0	0	0	112.6	P39 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.41Å; E113-G115 VanDerWaalsContact C-N 3.35Å; G115-H117 PolarHBondContact O-CD2 3.46Å
116	S	97.1	Very high	96.8	Very high	72 Å²	72	51.6 Å²	51.6	50%	0.503	28%	0.282	S	S	.	.			trans	-81.3	135.9	164.4	-179.8	0	0	0	0	108.7	S37	S37-S116 WeakPolarHBondContact O-CB 3.44Å; S37-S116 PolarHBondContact O-OG 3.2Å
117	H	98.3	Very high	96.8	Very high	17 Å²	17	48.8 Å²	48.8	8%	0.079	27%	0.271	C	S	.	.			trans	-134	150.5	-175.6	-64.6	-75.2	0	0	0	110.3	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.3Å; S37-H117 PolarHBondContact N-O 3.41Å; S37-H117 PolarHBondContact OG-N 3.06Å; S37-H117 PolarHBondContact OG-O 2.81Å; L102-H117 HydrophobicContact CD2-CB 4.31Å; Q111-H117 PolarHBondContact NE2-CE1 3.2Å; Q111-H117 PolarHBondContact OE1-CE1 2.92Å; G115-H117 PolarHBondContact O-CD2 3.46Å; H117-Y142 HydrophobicContact CB-CE2 3.81Å; H117-Y142 WeakPolarHBondContact CB-OH 3.38Å; H117-Y142 AromaticContact CG-CZ 3.99Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 3.28Å; H117-D143 WeakPolarHBondContact CA-OD1 3.06Å; H117-D143 WeakPolarHBondContact CB-OD1 3.42Å; H117-D143 IonicContact CE1-OD2 3.35Å; H117-D143 IonicContact CG-OD1 2.77Å; H117-D143 IonicContact CG-OD2 3Å; H117-D143 IonicContact ND1-OD1 2.73Å; H117-D143 IonicContact ND1-OD2 3.14Å; H117-D143 PolarHBondContact ND1-OD2 3.03Å
118	T	98.6	Very high	96.6	Very high	39 Å²	39	47.1 Å²	47.1	24%	0.239	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127	-175.3	-59.7	0	0	0	0	110.1	T34 A35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.06Å; A35-T118 WeakPolarHBondContact O-CA 2.85Å; V36-T118 HydrophobicContact CG2-CG2 4.23Å; T118-Q120 HydrophobicContact CG2-CG 3.92Å; T118-Y142 CarbonylContact O-C 3.56Å; T118-Y142 WeakPolarHBondContact O-CA 2.97Å; T118-Y142 VanDerWaalsContact O-CD2 3.3Å; T118-Y142 WeakPolarHBondContact O-CD2 2.79Å; T118-D143 PolarHBondContact N-OD1 2.87Å; T118-D143 PolarHBondContact O-N 3.28Å
119	L	98.8	Very high	96.2	Very high	11 Å²	11	48.6 Å²	48.6	6%	0.058	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.2	169.7	175.7	61.9	0	0	0	108.3	T34 A35 D98 L102 L105 A141	T34-L119 WeakPolarHBondContact CA-O 3.21Å; A35-L119 HydrophobicContact CB-CB 4.45Å; A35-L119 PolarHBondContact N-O 3.35Å; A35-L119 PolarHBondContact O-N 3.21Å; D98-L119 HydrophobicContact CB-CD2 4.19Å; L102-L119 HydrophobicContact CD2-CB 3.7Å; L102-L119 HydrophobicContact CG-CB 4.13Å; L105-L119 HydrophobicContact CD1-CD1 3.87Å; L105-L119 HydrophobicContact CD1-CD2 4.27Å; L119-A141 WeakPolarHBondContact CD1-O 3.25Å
120	Q	98.8	Very high	95.7	Very high	80 Å²	80	50.4 Å²	50.4	37%	0.374	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	145.8	177.6	-68.4	169.2	-81.8	0	0	109.7	Y33 T34 T118 S140 A141	Y33-Q120 VanDerWaalsContact O-CA 3.32Å; Y33-Q120 WeakPolarHBondContact O-CA 3.3Å; T34-Q120 HydrophobicContact CG2-CG 4.06Å; T118-Q120 HydrophobicContact CG2-CG 3.92Å; Q120-S140 CarbonylContact O-C 3.58Å; Q120-S140 WeakPolarHBondContact O-CA 3.37Å; Q120-A141 HydrophobicContact CB-CB 4.4Å; Q120-A141 PolarHBondContact N-O 3.48Å; Q120-A141 PolarHBondContact O-N 2.71Å
121	R	98.6	Very high	95.4	Very high	27 Å²	27	44.1 Å²	44.1	10%	0.102	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	135.8	174.2	-171.8	-177.1	-170.3	171.8	15.1	110.1	F32 Y33 Y123 D138 Q139 W180	F32-R121 CarbonylContact C-O 3.59Å; F32-R121 WeakPolarHBondContact CA-O 3.34Å; Y33-R121 PolarHBondContact N-O 2.94Å; Y33-R121 PolarHBondContact O-N 2.81Å; R121-Y123 HydrophobicContact CG-CD1 4.5Å; R121-D138 IonicContact CZ-OD1 2.78Å; R121-D138 VanDerWaalsContact CZ-OD1 3.29Å; R121-D138 IonicContact CZ-OD2 3.38Å; R121-D138 IonicContact NE-OD1 3.01Å; R121-D138 PolarHBondContact NE-OD1 3.09Å; R121-D138 IonicContact NE-OD2 3.57Å; R121-D138 IonicContact NH2-OD1 3.3Å; R121-D138 PolarHBondContact NH2-OD1 3.11Å; R121-D138 IonicContact NH2-OD2 2.71Å; R121-D138 PolarHBondContact NH2-OD2 3.35Å; R121-Q139 CarbonylContact C-O 3.56Å; R121-Q139 VanDerWaalsContact CA-O 3.32Å; R121-Q139 WeakPolarHBondContact CA-O 3.42Å; R121-W180 VanDerWaalsContact CZ-CZ2 3.4Å
122	M	98.8	Very high	95.2	Very high	22 Å²	22	49.3 Å²	49.3	11%	0.108	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129.8	168.1	-177.2	-78	-74.8	0	0	108.4	Y31 F32 Y137 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.2Å; F32-M122 HydrophobicContact CD1-CB 3.92Å; F32-M122 HydrophobicContact CD1-CG 3.66Å; F32-M122 HydrophobicContact CE1-CB 4.06Å; F32-M122 HydrophobicContact CE1-CG 3.36Å; F32-M122 HydrophobicContact CG-CG 4.48Å; F32-M122 HydrophobicContact CZ-CG 3.97Å; M122-Y137 HydrophobicContact CE-CD1 4.16Å; M122-Y137 HydrophobicContact CE-CG 4.19Å; M122-Q139 HydrophobicContact CB-CG 4.1Å; M122-Q139 HydrophobicContact CE-CG 3.81Å; M122-Q139 PolarHBondContact N-O 3.08Å; M122-Q139 PolarHBondContact O-N 2.78Å
123	Y	98.8	Very high	95.4	Very high	15 Å²	15	48.6 Å²	48.6	6%	0.059	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	158	170.9	71.2	-92.8	0	0	0	110.3	Y31 Y33 R121 Y137 W180 Y183	Y31-Y123 VanDerWaalsContact CB-CZ 3.41Å; Y31-Y123 HydrophobicContact CD2-CD2 4.34Å; Y31-Y123 AromaticContact CD2-CE2 3.5Å; Y31-Y123 HydrophobicContact CD2-CE2 3.5Å; Y31-Y123 AromaticContact CD2-CZ 3.7Å; Y31-Y123 HydrophobicContact CE2-CE2 4.29Å; Y31-Y123 HydrophobicContact CG-CE1 4.3Å; Y31-Y123 AromaticContact CG-CE2 3.94Å; Y31-Y123 HydrophobicContact CG-CE2 3.94Å; Y31-Y123 AromaticContact CG-CZ 3.63Å; Y31-Y123 VanDerWaalsContact CG-OH 3.3Å; Y31-Y123 PolarHBondContact N-O 3.28Å; Y31-Y123 PolarHBondContact O-N 2.84Å; Y31-Y123 VanDerWaalsContact O-N 3.12Å; Y33-Y123 HydrophobicContact CD2-CE1 4.15Å; Y33-Y123 HydrophobicContact CE1-CE1 4.1Å; Y33-Y123 AromaticContact CE2-CE1 3.56Å; Y33-Y123 HydrophobicContact CE2-CE1 3.56Å; Y33-Y123 AromaticContact CZ-CE1 3.54Å; Y33-Y123 AromaticContact CZ-CZ 3.94Å; Y33-Y123 PolarHBondContact OH-OH 2.83Å; R121-Y123 HydrophobicContact CG-CD1 4.5Å; Y123-Y137 WeakPolarHBondContact CA-O 3.49Å; Y123-Y137 VanDerWaalsContact CB-O 3.25Å; Y123-Y137 WeakPolarHBondContact CB-O 3.46Å; Y123-W180 HydrophobicContact CD1-CH2 4.41Å; Y123-W180 HydrophobicContact CD2-CH2 4.37Å; Y123-W180 AromaticContact CD2-CZ3 3.83Å; Y123-W180 HydrophobicContact CD2-CZ3 3.83Å; Y123-W180 HydrophobicContact CE2-CZ3 4.4Å; Y123-W180 HydrophobicContact CG-CH2 4.24Å; Y123-W180 AromaticContact CG-CZ3 3.93Å; Y123-W180 HydrophobicContact CG-CZ3 3.93Å; Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 3.83Å; Y123-Y183 HydrophobicContact CE2-CE1 3.83Å; Y123-Y183 AromaticContact CE2-CZ 4Å
124	G	98.6	Very high	95.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.4	-176.8	-177.7	0	0	0	0	0	114.2	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.57Å; M29-G124 WeakPolarHBondContact O-CA 3.43Å; G124-G136 CarbonylContact O-C 3.54Å; G124-G136 WeakPolarHBondContact O-CA 3.49Å; G124-Y137 PolarHBondContact N-O 2.9Å; G124-Y137 PolarHBondContact O-N 3.28Å; G124-L184 WeakPolarHBondContact O-CD2 3.45Å
125	C	98.5	Very high	95.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	146.6	-178.9	52.8	0	0	0	0	111.2	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.46Å; M29-C125 PolarHBondContact N-O 3.38Å; M29-C125 PolarHBondContact O-N 3.2Å; C125-L133 HydrophobicContact CB-CD1 3.56Å; C125-R135 CarbonylContact C-O 3.42Å; C125-R135 WeakPolarHBondContact CA-O 3.43Å; C125-C188 HydrophobicContact CB-CB 3.92Å; C125-C188 WeakPolarHBondContact CB-SG 3.35Å; C125-C188 PolarHBondContact N-SG 3.14Å; C125-C188 VanDerWaalsContact N-SG 3.38Å; C125-C188 WeakPolarHBondContact SG-CB 3.4Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.85Å
126	D	98	Very high	96.2	Very high	21 Å²	21	46.1 Å²	46.1	11%	0.112	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	136.4	171.6	-59.7	-11.4	0	0	0	108.7	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.48Å; S28-D126 WeakPolarHBondContact CB-OD1 3.15Å; R30-D126 IonicContact CZ-OD1 3.71Å; R30-D126 IonicContact NE-OD1 3.64Å; R30-D126 PolarHBondContact NE-OD1 2.93Å; R30-D126 VanDerWaalsContact NE-OD1 3.14Å; R30-D126 VanDerWaalsContact NH2-CG 3.27Å; R30-D126 IonicContact NH2-OD1 2.95Å; R30-D126 PolarHBondContact NH2-OD1 2.84Å; R30-D126 IonicContact NH2-OD2 3.29Å; R30-D126 PolarHBondContact NH2-OD2 3.45Å; D126-L134 HydrophobicContact CB-CB 4.4Å; D126-L134 PolarHBondContact O-N 2.94Å; D126-R135 HydrophobicContact CB-CB 4.43Å; D126-R135 PolarHBondContact N-O 3.28Å; D126-R135 PolarHBondContact O-N 2.94Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.45Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.3Å; D126-Y137 PolarHBondContact OD2-OH 2.86Å
127	L	96.8	Very high	96.2	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.016	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136	173.7	-56	-176.4	0	0	0	110.1	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.27Å; S26-L127 WeakPolarHBondContact CA-O 3.48Å; S26-L127 VanDerWaalsContact CB-O 3.32Å; S26-L127 WeakPolarHBondContact CB-O 3.35Å; H27-L127 PolarHBondContact N-O 2.91Å; H27-L127 VanDerWaalsContact N-O 3.15Å; H27-L127 PolarHBondContact O-N 2.8Å; L127-R132 CarbonylContact C-O 3.51Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.46Å; L127-V189 HydrophobicContact CD1-CG1 4.48Å; L127-V189 HydrophobicContact CD2-CB 4.16Å; L127-V189 HydrophobicContact CD2-CG1 3.78Å; L127-V189 HydrophobicContact CD2-CG2 3.8Å; L127-L192 HydrophobicContact CD1-CB 4.26Å; L127-L192 HydrophobicContact CD1-CD2 3.68Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CD2-CD2 4.49Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.23Å; L127-R193 HydrophobicContact CD1-CG 3.96Å
128	G	93.1	Very high	96.3	Very high	9 Å²	9	43.9 Å²	43.9	9%	0.093	22%	0.22	C	C	.	.			trans	-69.9	175	165.3	0	0	0	0	0	111.9	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.19Å; G128-G131 WeakPolarHBondContact O-CA 3.38Å; G128-G131 PolarHBondContact O-N 3.29Å; G128-R132 PolarHBondContact N-O 2.98Å
129	P	88.5	Confident	96.3	Very high	89 Å²	89	45.8 Å²	45.8	58%	0.578	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-25.7	179.2	-18.1	29.1	0	0	0	113.5	A24 G131	A24-P129 HydrophobicContact CB-CB 3.76Å; A24-P129 HydrophobicContact CB-CG 3.15Å; P129-G131 PolarHBondContact O-N 3.45Å
130	D	88.4	Confident	96.3	Very high	102 Å²	102	46 Å²	46	55%	0.545	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	3.1	174	69.6	-14.2	0	0	0	112.9	G128 R132	G128-D130 PolarHBondContact O-N 3.19Å; D130-R132 PolarHBondContact O-N 3.28Å; D130-R132 WeakPolarHBondContact OD1-CB 3.28Å; D130-R132 PolarHBondContact OD1-N 2.96Å; D130-R132 WeakPolarHBondContact OD2-CD 3.44Å; D130-R132 VanDerWaalsContact OD2-CG 3.3Å; D130-R132 WeakPolarHBondContact OD2-CG 3.35Å; D130-R132 IonicContact OD2-NE 3.83Å
131	G	88.7	Confident	96.3	Very high	19 Å²	19	43 Å²	43	20%	0.196	22%	0.217	C	C	.	.	S	Bend	trans	71.8	8.9	-178.4	0	0	0	0	0	113.9	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.38Å; G128-G131 PolarHBondContact O-N 3.29Å; P129-G131 PolarHBondContact O-N 3.45Å; G131-R193 VanDerWaalsContact O-CZ 3.29Å; G131-R193 PolarHBondContact O-NE 3.19Å; G131-R193 VanDerWaalsContact O-NE 3.08Å; G131-R193 PolarHBondContact O-NH2 2.82Å
132	R	93.6	Very high	96.3	Very high	168 Å²	168	42.2 Å²	42.2	63%	0.634	21%	0.214	S	C	*	.	S	Bend	trans	-87.2	155.1	178.5	-62	-173.4	-174.9	171.1	-1.7	111.1	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.51Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.46Å; G128-R132 PolarHBondContact N-O 2.98Å; D130-R132 PolarHBondContact O-N 3.28Å; D130-R132 WeakPolarHBondContact OD1-CB 3.28Å; D130-R132 PolarHBondContact OD1-N 2.96Å; D130-R132 WeakPolarHBondContact OD2-CD 3.44Å; D130-R132 VanDerWaalsContact OD2-CG 3.3Å; D130-R132 WeakPolarHBondContact OD2-CG 3.35Å; D130-R132 IonicContact OD2-NE 3.83Å; R132-L134 PolarHBondContact O-N 2.65Å; R132-L134 VanDerWaalsContact O-N 3.11Å
133	L	96.7	Very high	96.2	Very high	51 Å²	51	44.1 Å²	44.1	27%	0.267	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	117.7	174.3	-177.1	72.4	0	0	0	109.5	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.56Å; L133-R135 WeakPolarHBondContact CD1-O 3.42Å; L133-L154 HydrophobicContact CD2-CD1 4.18Å; L133-E185 HydrophobicContact CD2-CB 4.39Å; L133-E185 HydrophobicContact CD2-CG 3.69Å; L133-V189 HydrophobicContact CB-CG2 4.02Å; L133-V189 HydrophobicContact CD1-CG2 4.09Å
134	L	96.3	Very high	96.2	Very high	124 Å²	124	46.1 Å²	46.1	65%	0.649	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	-45.6	171	-178.2	65.4	0	0	0	110.1	D126 R132	D126-L134 HydrophobicContact CB-CB 4.4Å; D126-L134 PolarHBondContact O-N 2.94Å; R132-L134 PolarHBondContact O-N 2.65Å; R132-L134 VanDerWaalsContact O-N 3.11Å
135	R	96.9	Very high	96.2	Very high	93 Å²	93	53.9 Å²	53.9	35%	0.351	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	143.3	-177.4	-173.6	161.8	173.2	138.6	7.7	112.2	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.42Å; C125-R135 WeakPolarHBondContact CA-O 3.43Å; D126-R135 HydrophobicContact CB-CB 4.43Å; D126-R135 PolarHBondContact N-O 3.28Å; D126-R135 PolarHBondContact O-N 2.94Å; L133-R135 WeakPolarHBondContact CD1-O 3.42Å; R135-Y137 HydrophobicContact CB-CE2 4.07Å; R135-Y137 VanDerWaalsContact CD-CZ 3.44Å; R135-Y137 VanDerWaalsContact CD-OH 3.23Å; R135-Y137 WeakPolarHBondContact CD-OH 3.44Å; R135-Y137 HydrophobicContact CG-CD2 4.39Å; R135-Y137 HydrophobicContact CG-CE1 4.02Å; R135-Y137 HydrophobicContact CG-CE2 3.73Å; R135-E152 VanDerWaalsContact CZ-CD 3.4Å; R135-E152 VanDerWaalsContact CZ-CG 3.41Å; R135-E152 IonicContact CZ-OE1 3.7Å; R135-E152 IonicContact NH1-OE1 2.72Å; R135-E152 PolarHBondContact NH1-OE1 3.33Å; R135-E152 IonicContact NH1-OE2 3.99Å; R135-E152 VanDerWaalsContact NH2-CD 3.34Å; R135-E152 IonicContact NH2-OE1 3.77Å; R135-E152 PolarHBondContact NH2-OE1 2.92Å
136	G	98.1	Very high	96.2	Very high	6 Å²	6	60 Å²	60	6%	0.062	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	152	170.4	0	0	0	0	0	111.4	G124	G124-G136 CarbonylContact O-C 3.54Å; G124-G136 WeakPolarHBondContact O-CA 3.49Å
137	Y	98.4	Very high	96.2	Very high	40 Å²	40	59.4 Å²	59.4	16%	0.157	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	141.2	-179	-53	-97.7	0	0	0	110.7	R30 M122 Y123 G124 D126 R135	R30-Y137 PolarHBondContact NH2-OH 2.95Å; M122-Y137 HydrophobicContact CE-CD1 4.16Å; M122-Y137 HydrophobicContact CE-CG 4.19Å; Y123-Y137 WeakPolarHBondContact CA-O 3.49Å; Y123-Y137 VanDerWaalsContact CB-O 3.25Å; Y123-Y137 WeakPolarHBondContact CB-O 3.46Å; G124-Y137 PolarHBondContact N-O 2.9Å; G124-Y137 PolarHBondContact O-N 3.28Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.45Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.3Å; D126-Y137 PolarHBondContact OD2-OH 2.86Å; R135-Y137 HydrophobicContact CB-CE2 4.07Å; R135-Y137 VanDerWaalsContact CD-CZ 3.44Å; R135-Y137 VanDerWaalsContact CD-OH 3.23Å; R135-Y137 WeakPolarHBondContact CD-OH 3.44Å; R135-Y137 HydrophobicContact CG-CD2 4.39Å; R135-Y137 HydrophobicContact CG-CE1 4.02Å; R135-Y137 HydrophobicContact CG-CE2 3.73Å
138	D	98.5	Very high	96.3	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.011	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	109.1	159.7	178.2	26.1	0	0	0	108.4	R121 L150 W180	R121-D138 IonicContact CZ-OD1 2.78Å; R121-D138 VanDerWaalsContact CZ-OD1 3.29Å; R121-D138 IonicContact CZ-OD2 3.38Å; R121-D138 IonicContact NE-OD1 3.01Å; R121-D138 PolarHBondContact NE-OD1 3.09Å; R121-D138 IonicContact NE-OD2 3.57Å; R121-D138 IonicContact NH2-OD1 3.3Å; R121-D138 PolarHBondContact NH2-OD1 3.11Å; R121-D138 IonicContact NH2-OD2 2.71Å; R121-D138 PolarHBondContact NH2-OD2 3.35Å; D138-L150 HydrophobicContact CB-CB 4.04Å; D138-L150 HydrophobicContact CB-CD2 4.29Å; D138-L150 WeakPolarHBondContact O-CB 3.38Å; D138-L150 PolarHBondContact O-N 3.47Å; D138-W180 HydrophobicContact CB-CD2 4.36Å; D138-W180 HydrophobicContact CB-CE3 4.3Å
139	Q	98.6	Very high	96.6	Very high	80 Å²	80	60.6 Å²	60.6	37%	0.374	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	141.6	-176.3	62.1	-170.4	57.9	0	0	111	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.56Å; R121-Q139 VanDerWaalsContact CA-O 3.32Å; R121-Q139 WeakPolarHBondContact CA-O 3.42Å; M122-Q139 HydrophobicContact CB-CG 4.1Å; M122-Q139 HydrophobicContact CE-CG 3.81Å; M122-Q139 PolarHBondContact N-O 3.08Å; M122-Q139 PolarHBondContact O-N 2.78Å; Q139-I148 WeakPolarHBondContact CA-O 3.38Å; Q139-A149 HydrophobicContact CB-CB 3.9Å
140	S	98.7	Very high	97.1	Very high	16 Å²	16	57 Å²	57	11%	0.112	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145.5	179.3	-58.8	0	0	0	0	111.1	Q120 Y147 I148	Q120-S140 CarbonylContact O-C 3.58Å; Q120-S140 WeakPolarHBondContact O-CA 3.37Å; S140-Y147 WeakPolarHBondContact O-CB 3.43Å; S140-Y147 PolarHBondContact O-N 2.96Å; S140-I148 PolarHBondContact N-O 3.11Å; S140-I148 PolarHBondContact O-N 3.07Å
141	A	98.8	Very high	97.6	Very high	16 Å²	16	54.2 Å²	54.2	13%	0.132	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	145.5	176	0	0	0	0	0	110.3	L119 Q120 K145	L119-A141 WeakPolarHBondContact CD1-O 3.25Å; Q120-A141 HydrophobicContact CB-CB 4.4Å; Q120-A141 PolarHBondContact N-O 3.48Å; Q120-A141 PolarHBondContact O-N 2.71Å; A141-K145 CarbonylContact C-O 3.56Å; A141-K145 WeakPolarHBondContact CA-O 3.35Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.4Å
142	Y	98.8	Very high	98	Very high	11 Å²	11	59.8 Å²	59.8	4%	0.043	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.8	177.6	-174.5	-120.5	0	0	0	110.3	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.04Å; L105-Y142 HydrophobicContact CB-CD1 4.4Å; L105-Y142 HydrophobicContact CB-CD2 4.24Å; L105-Y142 HydrophobicContact CB-CE1 4.03Å; L105-Y142 HydrophobicContact CB-CE2 3.88Å; L105-Y142 HydrophobicContact CB-CG 4.48Å; L105-Y142 HydrophobicContact CD1-CD2 3.61Å; L105-Y142 HydrophobicContact CD1-CE2 3.94Å; L105-Y142 HydrophobicContact CD1-CG 4.05Å; L105-Y142 HydrophobicContact CG-CD2 4.46Å; Y109-Y142 AromaticContact CD2-CD1 3.71Å; Y109-Y142 HydrophobicContact CD2-CD1 3.71Å; Y109-Y142 AromaticContact CD2-CE1 3.49Å; Y109-Y142 HydrophobicContact CD2-CE1 3.49Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.49Å; Y109-Y142 AromaticContact CE2-CD1 3.44Å; Y109-Y142 HydrophobicContact CE2-CD1 3.44Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.44Å; Y109-Y142 AromaticContact CE2-CE1 3.75Å; Y109-Y142 HydrophobicContact CE2-CE1 3.75Å; Y109-Y142 HydrophobicContact CE2-CG 4.44Å; Y109-Y142 HydrophobicContact CG-CE1 4.42Å; Q111-Y142 PolarHBondContact OE1-OH 3.14Å; H117-Y142 HydrophobicContact CB-CE2 3.81Å; H117-Y142 WeakPolarHBondContact CB-OH 3.38Å; H117-Y142 AromaticContact CG-CZ 3.99Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 3.28Å; T118-Y142 CarbonylContact O-C 3.56Å; T118-Y142 WeakPolarHBondContact O-CA 2.97Å; T118-Y142 VanDerWaalsContact O-CD2 3.3Å; T118-Y142 WeakPolarHBondContact O-CD2 2.79Å; Y142-G144 PolarHBondContact O-N 2.69Å; Y142-K145 PolarHBondContact N-O 3.37Å; Y142-K145 PolarHBondContact O-N 3.44Å
143	D	98.2	Very high	98.2	Very high	62 Å²	62	55.4 Å²	55.4	33%	0.332	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	39.7	-174.4	-66	-22.7	0	0	0	113.2	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.27Å; H117-D143 WeakPolarHBondContact CA-OD1 3.06Å; H117-D143 WeakPolarHBondContact CB-OD1 3.42Å; H117-D143 IonicContact CE1-OD2 3.35Å; H117-D143 IonicContact CG-OD1 2.77Å; H117-D143 IonicContact CG-OD2 3Å; H117-D143 IonicContact ND1-OD1 2.73Å; H117-D143 IonicContact ND1-OD2 3.14Å; H117-D143 PolarHBondContact ND1-OD2 3.03Å; T118-D143 PolarHBondContact N-OD1 2.87Å; T118-D143 PolarHBondContact O-N 3.28Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 3.24Å
144	G	97.5	Very high	98.2	Very high	57 Å²	57	53.5 Å²	53.5	59%	0.588	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	8.3	178	0	0	0	0	0	115.2	Y142	Y142-G144 PolarHBondContact O-N 2.69Å
145	K	98.5	Very high	98.3	Very high	162 Å²	162	55.5 Å²	55.5	70%	0.704	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116	145.2	176.8	-61.8	-178.3	-177.5	179.4	0	111	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.56Å; A141-K145 WeakPolarHBondContact CA-O 3.35Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.4Å; Y142-K145 PolarHBondContact N-O 3.37Å; Y142-K145 PolarHBondContact O-N 3.44Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 3.24Å; K145-Y147 PolarHBondContact O-N 2.64Å
146	D	98.7	Very high	98.3	Very high	129 Å²	129	53 Å²	53	69%	0.69	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.5	136.9	174.8	-67.4	-21.2	0	0	0	110.8	A160	D146-A160 HydrophobicContact CB-CB 4.29Å; D146-A160 WeakPolarHBondContact O-CB 3.38Å
147	Y	98.8	Very high	98.4	Very high	9 Å²	9	53.1 Å²	53.1	4%	0.035	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	-62.6	179.1	-179.8	-115.1	0	0	0	110.6	L105 Y109 S140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.33Å; L105-Y147 HydrophobicContact CD2-CD2 4.22Å; L105-Y147 HydrophobicContact CD2-CE1 3.71Å; L105-Y147 HydrophobicContact CD2-CE2 3.57Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.49Å; Y109-Y147 HydrophobicContact CE2-CE2 4.22Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.25Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.13Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.26Å; S140-Y147 WeakPolarHBondContact O-CB 3.43Å; S140-Y147 PolarHBondContact O-N 2.96Å; K145-Y147 PolarHBondContact O-N 2.64Å; Y147-A160 WeakPolarHBondContact O-CB 3.43Å; Y147-A160 PolarHBondContact O-N 3.47Å; Y147-A163 PolarHBondContact OH-O 3.06Å; Y147-A164 HydrophobicContact CD2-CB 3.73Å; Y147-A164 HydrophobicContact CE2-CB 3.59Å; Y147-A164 HydrophobicContact CG-CB 4.32Å; Y147-A164 WeakPolarHBondContact O-CB 3.33Å; Y147-T167 HydrophobicContact CE1-CG2 4.27Å; Y147-T167 WeakPolarHBondContact OH-CB 3.32Å; Y147-T167 PolarHBondContact OH-OG1 3.17Å
148	I	98.8	Very high	98.4	Very high	5 Å²	5	55 Å²	55	3%	0.026	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	141.7	-180	-163	170	0	0	0	110.3	Q139 S140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.38Å; S140-I148 PolarHBondContact N-O 3.11Å; S140-I148 PolarHBondContact O-N 3.07Å; I148-W157 HydrophobicContact CD1-CB 4.28Å; I148-W157 HydrophobicContact CD1-CD2 4.47Å; I148-W157 HydrophobicContact CD1-CE3 4.27Å; I148-W157 HydrophobicContact CD1-CG 4.49Å; I148-W157 HydrophobicContact CG1-CB 4.33Å; I148-W157 HydrophobicContact CG1-CE3 4.06Å; I148-T158 WeakPolarHBondContact CA-O 3.37Å; I148-T167 HydrophobicContact CD1-CG2 4.15Å; I148-Q168 HydrophobicContact CD1-CB 3.97Å; I148-W171 HydrophobicContact CD1-CE3 3.95Å; I148-W171 HydrophobicContact CD1-CZ3 4.18Å; I148-W171 HydrophobicContact CG2-CH2 4.04Å; I148-W171 HydrophobicContact CG2-CZ3 3.75Å
149	A	98.8	Very high	98.4	Very high	31 Å²	31	56 Å²	56	26%	0.256	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	139.7	178.7	0	0	0	0	0	111.7	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.9Å; A149-W157 CarbonylContact O-C 3.58Å; A149-W157 WeakPolarHBondContact O-CA 3.42Å; A149-T158 PolarHBondContact N-O 2.99Å; A149-T158 PolarHBondContact O-N 2.96Å
150	L	98.8	Very high	98.4	Very high	14 Å²	14	54.9 Å²	54.9	7%	0.073	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	128.3	168.7	-175.2	65.7	0	0	0	108.6	D138 L154 W157 A177 W180 L184	D138-L150 HydrophobicContact CB-CB 4.04Å; D138-L150 HydrophobicContact CB-CD2 4.29Å; D138-L150 WeakPolarHBondContact O-CB 3.38Å; D138-L150 PolarHBondContact O-N 3.47Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.29Å; L150-W157 HydrophobicContact CB-CE3 3.98Å; L150-W157 HydrophobicContact CB-CH2 4.03Å; L150-W157 HydrophobicContact CB-CZ3 3.6Å; L150-W157 HydrophobicContact CD1-CD2 4.18Å; L150-W157 HydrophobicContact CD1-CE3 4.29Å; L150-W157 HydrophobicContact CD1-CH2 4.02Å; L150-W157 HydrophobicContact CD1-CZ2 3.91Å; L150-W157 HydrophobicContact CD1-CZ3 4.2Å; L150-W157 HydrophobicContact CG-CH2 4.5Å; L150-W157 HydrophobicContact CG-CZ3 4.46Å; L150-A177 HydrophobicContact CD1-CB 3.99Å; L150-W180 HydrophobicContact CD2-CB 4.02Å; L150-L184 HydrophobicContact CD2-CD1 3.91Å
151	N	98.6	Very high	98.3	Very high	43 Å²	43	56.8 Å²	56.8	23%	0.23	31%	0.314	C	S	.	.			trans	-73.2	163	-179.9	-67.9	-28.6	0	0	0	111.4	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.85Å; N151-D153 VanDerWaalsContact O-N 3.08Å; N151-L154 WeakPolarHBondContact O-CA 3.2Å; N151-L154 PolarHBondContact O-N 2.87Å; N151-S156 WeakPolarHBondContact CB-O 3.36Å; N151-S156 WeakPolarHBondContact CB-OG 3.21Å; N151-S156 PolarHBondContact N-O 3.05Å; N151-S156 PolarHBondContact ND2-OG 2.94Å; N151-T158 PolarHBondContact ND2-OG1 3.48Å; N151-T158 WeakPolarHBondContact OD1-CB 3.43Å; N151-T158 PolarHBondContact OD1-OG1 3.33Å
152	E	97.5	Very high	98.3	Very high	137 Å²	137	61.2 Å²	61.2	64%	0.64	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.3	-179.9	-66.9	178.2	-160.9	0	0	113.8	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.4Å; R135-E152 VanDerWaalsContact CZ-CG 3.41Å; R135-E152 IonicContact CZ-OE1 3.7Å; R135-E152 IonicContact NH1-OE1 2.72Å; R135-E152 PolarHBondContact NH1-OE1 3.33Å; R135-E152 IonicContact NH1-OE2 3.99Å; R135-E152 VanDerWaalsContact NH2-CD 3.34Å; R135-E152 IonicContact NH2-OE1 3.77Å; R135-E152 PolarHBondContact NH2-OE1 2.92Å; E152-L154 PolarHBondContact O-N 2.94Å
153	D	97.4	Very high	98.3	Very high	76 Å²	76	61 Å²	61	41%	0.406	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-9	174.9	69.3	4.6	0	0	0	113.8	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.85Å; N151-D153 VanDerWaalsContact O-N 3.08Å; D153-R155 WeakPolarHBondContact O-CG 3.45Å; D153-R155 PolarHBondContact O-N 3.4Å; D153-R155 PolarHBondContact OD1-N 3.32Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 2.97Å; D153-S156 PolarHBondContact OD1-OG 3.28Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.24Å; D153-S156 PolarHBondContact OD2-OG 3.03Å
154	L	97.9	Very high	98.3	Very high	10 Å²	10	58 Å²	58	5%	0.052	32%	0.324	C	S	.	.	S	Bend	trans	53.1	29	-174.6	-53	-178.8	0	0	0	113.4	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.18Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.29Å; N151-L154 WeakPolarHBondContact O-CA 3.2Å; N151-L154 PolarHBondContact O-N 2.87Å; E152-L154 PolarHBondContact O-N 2.94Å; L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.91Å; L154-R181 HydrophobicContact CD1-CG 4.24Å; L154-L184 HydrophobicContact CD2-CD1 3.97Å; L154-E185 HydrophobicContact CD1-CG 4.29Å
155	R	97.6	Very high	98.4	Very high	166 Å²	166	58.8 Å²	58.8	63%	0.626	31%	0.312	S	S	*	.	S	Bend	trans	-134.9	-30	-174.2	-70.4	171.8	-170.4	-144.4	6.2	112.9	D153 A177 R181	D153-R155 WeakPolarHBondContact O-CG 3.45Å; D153-R155 PolarHBondContact O-N 3.4Å; D153-R155 PolarHBondContact OD1-N 3.32Å; R155-A177 WeakPolarHBondContact O-CB 3.41Å; R155-R181 VanDerWaalsContact NH2-NH1 3.16Å
156	S	97.9	Very high	98.3	Very high	40 Å²	40	54 Å²	54	28%	0.28	29%	0.293	S	S	.	.			trans	-118.8	162.3	-176.9	63.2	0	0	0	0	111.9	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.36Å; N151-S156 WeakPolarHBondContact CB-OG 3.21Å; N151-S156 PolarHBondContact N-O 3.05Å; N151-S156 PolarHBondContact ND2-OG 2.94Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 2.97Å; D153-S156 PolarHBondContact OD1-OG 3.28Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.24Å; D153-S156 PolarHBondContact OD2-OG 3.03Å
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	-118.6	144.6	-178.4	-61.4	92.8	0	0	0	110.7	I148 A149 L150 Q168 W171 E176 A177	I148-W157 HydrophobicContact CD1-CB 4.28Å; I148-W157 HydrophobicContact CD1-CD2 4.47Å; I148-W157 HydrophobicContact CD1-CE3 4.27Å; I148-W157 HydrophobicContact CD1-CG 4.49Å; I148-W157 HydrophobicContact CG1-CB 4.33Å; I148-W157 HydrophobicContact CG1-CE3 4.06Å; A149-W157 CarbonylContact O-C 3.58Å; A149-W157 WeakPolarHBondContact O-CA 3.42Å; L150-W157 HydrophobicContact CB-CE3 3.98Å; L150-W157 HydrophobicContact CB-CH2 4.03Å; L150-W157 HydrophobicContact CB-CZ3 3.6Å; L150-W157 HydrophobicContact CD1-CD2 4.18Å; L150-W157 HydrophobicContact CD1-CE3 4.29Å; L150-W157 HydrophobicContact CD1-CH2 4.02Å; L150-W157 HydrophobicContact CD1-CZ2 3.91Å; L150-W157 HydrophobicContact CD1-CZ3 4.2Å; L150-W157 HydrophobicContact CG-CH2 4.5Å; L150-W157 HydrophobicContact CG-CZ3 4.46Å; W157-Q168 HydrophobicContact CB-CG 4.15Å; W157-Q168 PolarHBondContact O-NE2 2.81Å; W157-W171 AromaticContact CD2-CE3 3.84Å; W157-W171 HydrophobicContact CD2-CE3 3.84Å; W157-W171 HydrophobicContact CD2-CZ3 4.36Å; W157-W171 AromaticContact CE2-CE3 3.7Å; W157-W171 AromaticContact CE3-CE3 3.74Å; W157-W171 HydrophobicContact CE3-CE3 3.74Å; W157-W171 AromaticContact CE3-CZ3 3.78Å; W157-W171 HydrophobicContact CE3-CZ3 3.78Å; W157-W171 AromaticContact CH2-CE3 3.44Å; W157-W171 HydrophobicContact CH2-CE3 3.44Å; W157-W171 VanDerWaalsContact CH2-CE3 3.44Å; W157-W171 HydrophobicContact CH2-CH2 4.48Å; W157-W171 AromaticContact CH2-CZ3 3.39Å; W157-W171 HydrophobicContact CH2-CZ3 3.39Å; W157-W171 HydrophobicContact CZ2-CD2 4.4Å; W157-W171 AromaticContact CZ2-CE3 3.51Å; W157-W171 HydrophobicContact CZ2-CE3 3.51Å; W157-W171 AromaticContact CZ2-CZ3 3.99Å; W157-W171 HydrophobicContact CZ2-CZ3 3.99Å; W157-W171 AromaticContact CZ3-CE3 3.57Å; W157-W171 HydrophobicContact CZ3-CE3 3.57Å; W157-W171 HydrophobicContact CZ3-CH2 4.47Å; W157-W171 AromaticContact CZ3-CZ3 3.28Å; W157-W171 HydrophobicContact CZ3-CZ3 3.28Å; W157-E176 HydrophobicContact CZ2-CB 4.2Å; W157-A177 HydrophobicContact CZ2-CB 4.33Å
158	T	98.7	Very high	98.3	Very high	79 Å²	79	50.1 Å²	50.1	49%	0.485	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	118.2	166.4	-66.6	0	0	0	0	109	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.37Å; A149-T158 PolarHBondContact N-O 2.99Å; A149-T158 PolarHBondContact O-N 2.96Å; N151-T158 PolarHBondContact ND2-OG1 3.48Å; N151-T158 WeakPolarHBondContact OD1-CB 3.43Å; N151-T158 PolarHBondContact OD1-OG1 3.33Å
159	A	98.7	Very high	98.3	Very high	22 Å²	22	57.4 Å²	57.4	18%	0.182	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	131.4	174.9	0	0	0	0	0	110.2	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.69Å; A159-Q165 HydrophobicContact CB-CG 3.97Å; A159-Q168 HydrophobicContact CB-CB 4.4Å
160	A	98.5	Very high	98.3	Very high	57 Å²	57	61.3 Å²	61.3	47%	0.471	31%	0.311	S	S	.	.	S	Bend	trans	-73.9	-30.7	-177.3	0	0	0	0	0	113.2	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.29Å; D146-A160 WeakPolarHBondContact O-CB 3.38Å; Y147-A160 WeakPolarHBondContact O-CB 3.43Å; Y147-A160 PolarHBondContact O-N 3.47Å
161	D	98.3	Very high	98.2	Very high	57 Å²	57	63.2 Å²	63.2	31%	0.305	32%	0.317	S	S	.	.	S	Bend	trans	-151.9	-175.1	-179.2	67.7	26.9	0	0	0	113.5	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.29Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.29Å; Y109-D161 PolarHBondContact OH-OD1 2.98Å; Y109-D161 PolarHBondContact OH-OD2 3.02Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.99Å; D161-A163 WeakPolarHBondContact OD1-CA 3.32Å; D161-A163 WeakPolarHBondContact OD1-CB 2.9Å; D161-A163 PolarHBondContact OD1-N 3.19Å; D161-A164 WeakPolarHBondContact O-CB 3.39Å; D161-A164 PolarHBondContact O-N 3.03Å; D161-A164 PolarHBondContact OD1-N 3.28Å; D161-Q165 WeakPolarHBondContact O-CG 3.5Å; D161-Q165 PolarHBondContact O-N 2.89Å
162	T	98.1	Very high	98.2	Very high	109 Å²	109	65.8 Å²	65.8	67%	0.669	33%	0.328	S	S	*	.	H	α-helix	trans	-65.1	-28.8	-179.1	51.8	0	0	0	0	113.8
163	A	98	Very high	98.3	Very high	5 Å²	5	63.5 Å²	63.5	4%	0.041	33%	0.333	C	S	.	.	H	α-helix	trans	-74.5	-37.5	175.8	0	0	0	0	0	110.6	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.09Å; Y109-A163 HydrophobicContact CD2-CB 4.49Å; Y109-A163 HydrophobicContact CE1-CB 3.53Å; Y109-A163 HydrophobicContact CE2-CB 3.99Å; Y109-A163 VanDerWaalsContact CZ-CB 3.48Å; Y147-A163 PolarHBondContact OH-O 3.06Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.99Å; D161-A163 WeakPolarHBondContact OD1-CA 3.32Å; D161-A163 WeakPolarHBondContact OD1-CB 2.9Å; D161-A163 PolarHBondContact OD1-N 3.19Å; A163-Q165 VanDerWaalsContact C-N 3.33Å; A163-I166 WeakPolarHBondContact O-CB 3.3Å; A163-I166 PolarHBondContact O-N 3.21Å
164	A	98.5	Very high	98.3	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-64.4	-35.1	172.3	0	0	0	0	0	113	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.73Å; Y147-A164 HydrophobicContact CE2-CB 3.59Å; Y147-A164 HydrophobicContact CG-CB 4.32Å; Y147-A164 WeakPolarHBondContact O-CB 3.33Å; A159-A164 HydrophobicContact CB-CB 3.69Å; D161-A164 WeakPolarHBondContact O-CB 3.39Å; D161-A164 PolarHBondContact O-N 3.03Å; D161-A164 PolarHBondContact OD1-N 3.28Å; A164-I166 PolarHBondContact O-N 2.97Å; A164-T167 WeakPolarHBondContact O-CB 2.98Å; A164-T167 PolarHBondContact O-N 3.21Å; A164-Q168 PolarHBondContact O-N 2.92Å
165	Q	98.7	Very high	98.3	Very high	74 Å²	74	69.4 Å²	69.4	35%	0.346	36%	0.36	S	S	.	.	H	α-helix	trans	-59.3	-28	174.9	-72.6	174.4	10.7	0	0	113.1	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.97Å; D161-Q165 WeakPolarHBondContact O-CG 3.5Å; D161-Q165 PolarHBondContact O-N 2.89Å; A163-Q165 VanDerWaalsContact C-N 3.33Å; Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.28Å; Q165-R169 PolarHBondContact O-N 3.26Å; Q165-R169 VanDerWaalsContact O-N 3.1Å
166	I	98.3	Very high	98.3	Very high	60 Å²	60	64 Å²	64	31%	0.308	34%	0.342	S	S	.	.	H	α-helix	trans	-65.1	-44.6	174.4	-58.1	171.5	0	0	0	110.1	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.13Å; Y108-I166 HydrophobicContact CD2-CD1 4.42Å; Y108-I166 HydrophobicContact CE1-CD1 4.39Å; Y108-I166 HydrophobicContact CE1-CG2 4.09Å; Y108-I166 HydrophobicContact CE2-CB 4.19Å; Y108-I166 HydrophobicContact CE2-CG2 4.03Å; Y108-I166 HydrophobicContact CG-CD1 4.15Å; A163-I166 WeakPolarHBondContact O-CB 3.3Å; A163-I166 PolarHBondContact O-N 3.21Å; A164-I166 PolarHBondContact O-N 2.97Å; I166-K170 WeakPolarHBondContact O-CG 3.22Å; I166-K170 PolarHBondContact O-N 2.96Å
167	T	98.3	Very high	98.3	Very high	18 Å²	18	62.5 Å²	62.5	11%	0.11	33%	0.331	C	S	.	.	H	α-helix	trans	-68.1	-43.8	177.2	-64.8	0	0	0	0	111.1	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.27Å; Y147-T167 WeakPolarHBondContact OH-CB 3.32Å; Y147-T167 PolarHBondContact OH-OG1 3.17Å; I148-T167 HydrophobicContact CD1-CG2 4.15Å; A164-T167 WeakPolarHBondContact O-CB 2.98Å; A164-T167 PolarHBondContact O-N 3.21Å; T167-R169 PolarHBondContact O-N 2.87Å; T167-K170 WeakPolarHBondContact O-CB 3.43Å; T167-K170 PolarHBondContact O-N 2.82Å; T167-K170 VanDerWaalsContact O-N 3.09Å; T167-W171 HydrophobicContact CG2-CD2 3.79Å; T167-W171 HydrophobicContact CG2-CE3 4.3Å; T167-W171 HydrophobicContact CG2-CG 4.16Å; T167-W171 HydrophobicContact CG2-CH2 4.45Å; T167-W171 HydrophobicContact CG2-CZ2 3.95Å; T167-W171 PolarHBondContact O-N 2.74Å
168	Q	98.6	Very high	98.3	Very high	40 Å²	40	67.4 Å²	67.4	19%	0.187	36%	0.355	C	S	.	.	H	α-helix	trans	-50.8	-53.2	174.9	175.7	174.6	15	0	0	111.8	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.97Å; W157-Q168 HydrophobicContact CB-CG 4.15Å; W157-Q168 PolarHBondContact O-NE2 2.81Å; A159-Q168 HydrophobicContact CB-CB 4.4Å; A164-Q168 PolarHBondContact O-N 2.92Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 2.86Å; Q168-W171 PolarHBondContact O-N 3.13Å; Q168-W171 VanDerWaalsContact O-N 3.15Å; Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 2.82Å; Q168-E172 PolarHBondContact NE2-OE1 3Å; Q168-E172 WeakPolarHBondContact O-CB 3.39Å; Q168-E172 WeakPolarHBondContact O-CG 3.44Å; Q168-E172 PolarHBondContact O-N 3.28Å
169	R	98.6	Very high	98.2	Very high	157 Å²	157	69.5 Å²	69.5	59%	0.592	36%	0.359	S	S	*	.	H	α-helix	trans	-60.3	-37.9	179.9	-68.5	171.1	-163.9	153.3	8.6	112.5	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.28Å; Q165-R169 PolarHBondContact O-N 3.26Å; Q165-R169 VanDerWaalsContact O-N 3.1Å; T167-R169 PolarHBondContact O-N 2.87Å; R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.26Å; R169-A173 PolarHBondContact O-N 2.85Å
170	K	98.1	Very high	98.2	Very high	114 Å²	114	70.4 Å²	70.4	50%	0.496	36%	0.358	S	S	.	.	H	α-helix	trans	-65.8	-44.5	176.5	-72.7	177.1	176.9	-174.9	0	111.2	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.4Å; I166-K170 WeakPolarHBondContact O-CG 3.22Å; I166-K170 PolarHBondContact O-N 2.96Å; T167-K170 WeakPolarHBondContact O-CB 3.43Å; T167-K170 PolarHBondContact O-N 2.82Å; T167-K170 VanDerWaalsContact O-N 3.09Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 2.86Å; K170-A173 PolarHBondContact O-N 2.7Å; K170-A174 WeakPolarHBondContact O-CB 3.4Å; K170-A174 PolarHBondContact O-N 2.87Å
171	W	98.2	Very high	98.2	Very high	53 Å²	53	71.3 Å²	71.3	20%	0.201	35%	0.349	C	S	.	.	H	α-helix	trans	-70.1	-37.3	-179.3	-74.7	5.2	0	0	0	112.7	I148 W157 T167 Q168 A174 R175 E176	I148-W171 HydrophobicContact CD1-CE3 3.95Å; I148-W171 HydrophobicContact CD1-CZ3 4.18Å; I148-W171 HydrophobicContact CG2-CH2 4.04Å; I148-W171 HydrophobicContact CG2-CZ3 3.75Å; W157-W171 AromaticContact CD2-CE3 3.84Å; W157-W171 HydrophobicContact CD2-CE3 3.84Å; W157-W171 HydrophobicContact CD2-CZ3 4.36Å; W157-W171 AromaticContact CE2-CE3 3.7Å; W157-W171 AromaticContact CE3-CE3 3.74Å; W157-W171 HydrophobicContact CE3-CE3 3.74Å; W157-W171 AromaticContact CE3-CZ3 3.78Å; W157-W171 HydrophobicContact CE3-CZ3 3.78Å; W157-W171 AromaticContact CH2-CE3 3.44Å; W157-W171 HydrophobicContact CH2-CE3 3.44Å; W157-W171 VanDerWaalsContact CH2-CE3 3.44Å; W157-W171 HydrophobicContact CH2-CH2 4.48Å; W157-W171 AromaticContact CH2-CZ3 3.39Å; W157-W171 HydrophobicContact CH2-CZ3 3.39Å; W157-W171 HydrophobicContact CZ2-CD2 4.4Å; W157-W171 AromaticContact CZ2-CE3 3.51Å; W157-W171 HydrophobicContact CZ2-CE3 3.51Å; W157-W171 AromaticContact CZ2-CZ3 3.99Å; W157-W171 HydrophobicContact CZ2-CZ3 3.99Å; W157-W171 AromaticContact CZ3-CE3 3.57Å; W157-W171 HydrophobicContact CZ3-CE3 3.57Å; W157-W171 HydrophobicContact CZ3-CH2 4.47Å; W157-W171 AromaticContact CZ3-CZ3 3.28Å; W157-W171 HydrophobicContact CZ3-CZ3 3.28Å; T167-W171 HydrophobicContact CG2-CD2 3.79Å; T167-W171 HydrophobicContact CG2-CE3 4.3Å; T167-W171 HydrophobicContact CG2-CG 4.16Å; T167-W171 HydrophobicContact CG2-CH2 4.45Å; T167-W171 HydrophobicContact CG2-CZ2 3.95Å; T167-W171 PolarHBondContact O-N 2.74Å; Q168-W171 PolarHBondContact O-N 3.13Å; Q168-W171 VanDerWaalsContact O-N 3.15Å; W171-A174 CarbonylContact O-C 3.49Å; W171-A174 PolarHBondContact O-N 2.85Å; W171-R175 PolarHBondContact O-N 2.83Å; W171-E176 HydrophobicContact CB-CB 3.94Å; W171-E176 HydrophobicContact CB-CG 3.87Å; W171-E176 HydrophobicContact CD2-CG 4.46Å; W171-E176 HydrophobicContact CG-CB 4.14Å; W171-E176 HydrophobicContact CG-CG 3.81Å; W171-E176 PolarHBondContact O-N 3.37Å
172	E	98.4	Very high	98.2	Very high	97 Å²	97	71.6 Å²	71.6	45%	0.453	36%	0.36	S	S	.	.	H	α-helix	trans	-63.7	-46.5	171.9	-73.3	169.7	174.4	0	0	111.2	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 2.82Å; Q168-E172 PolarHBondContact NE2-OE1 3Å; Q168-E172 WeakPolarHBondContact O-CB 3.39Å; Q168-E172 WeakPolarHBondContact O-CG 3.44Å; Q168-E172 PolarHBondContact O-N 3.28Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 2.89Å; E172-R175 PolarHBondContact O-N 2.87Å; E172-R175 VanDerWaalsContact O-N 3.11Å
173	A	98.4	Very high	98.2	Very high	89 Å²	89	68.8 Å²	68.8	74%	0.736	34%	0.337	S	S	*	.	H	α-helix	trans	-62.3	-34.9	176.5	0	0	0	0	0	112.7	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.26Å; R169-A173 PolarHBondContact O-N 2.85Å; K170-A173 PolarHBondContact O-N 2.7Å
174	A	98.1	Very high	98.3	Very high	52 Å²	52	68.5 Å²	68.5	43%	0.43	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-2.9	177	0	0	0	0	0	114.1	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.4Å; K170-A174 PolarHBondContact O-N 2.87Å; W171-A174 CarbonylContact O-C 3.49Å; W171-A174 PolarHBondContact O-N 2.85Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 2.89Å; A174-E176 VanDerWaalsContact C-N 3.25Å; A174-E176 HydrophobicContact CB-CG 4.08Å; A174-E176 PolarHBondContact O-N 2.98Å
175	R	97.8	Very high	98.2	Very high	158 Å²	158	72.8 Å²	72.8	60%	0.596	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	38.9	-176.2	-56.6	-179.2	173.2	-152.5	3.4	113.8	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 2.83Å; E172-R175 PolarHBondContact O-N 2.87Å; E172-R175 VanDerWaalsContact O-N 3.11Å; R175-A177 PolarHBondContact O-N 2.92Å; R175-E178 HydrophobicContact CB-CG 4.25Å; R175-E178 IonicContact NH1-OE1 2.77Å; R175-E178 PolarHBondContact NH1-OE1 2.79Å; R175-E178 IonicContact NH1-OE2 3.43Å; R175-E178 WeakPolarHBondContact O-CB 3.39Å; R175-E178 PolarHBondContact O-N 3.03Å
176	E	97.9	Very high	98.2	Very high	53 Å²	53	70.4 Å²	70.4	25%	0.248	35%	0.35	C	S	.	.	H	α-helix	trans	-57.3	-35.2	-179.3	-71.3	-84.5	-178.3	0	0	112.2	W157 W171 A174 E178 Q179 W180	W157-E176 HydrophobicContact CZ2-CB 4.2Å; W171-E176 HydrophobicContact CB-CB 3.94Å; W171-E176 HydrophobicContact CB-CG 3.87Å; W171-E176 HydrophobicContact CD2-CG 4.46Å; W171-E176 HydrophobicContact CG-CB 4.14Å; W171-E176 HydrophobicContact CG-CG 3.81Å; W171-E176 PolarHBondContact O-N 3.37Å; A174-E176 VanDerWaalsContact C-N 3.25Å; A174-E176 HydrophobicContact CB-CG 4.08Å; A174-E176 PolarHBondContact O-N 2.98Å; E176-E178 VanDerWaalsContact C-N 3.26Å; E176-E178 PolarHBondContact O-N 2.95Å; E176-Q179 PolarHBondContact O-N 3.02Å; E176-Q179 VanDerWaalsContact O-N 3.11Å; E176-W180 PolarHBondContact O-N 3.42Å
177	A	98.3	Very high	98.2	Very high	8 Å²	8	70 Å²	70	7%	0.066	35%	0.351	C	S	.	.	H	α-helix	trans	-59.7	-34.5	178	0	0	0	0	0	112.7	L150 R155 W157 R175 Q179 W180 R181	L150-A177 HydrophobicContact CD1-CB 3.99Å; R155-A177 WeakPolarHBondContact O-CB 3.41Å; W157-A177 HydrophobicContact CZ2-CB 4.33Å; R175-A177 PolarHBondContact O-N 2.92Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 3.27Å; A177-W180 PolarHBondContact O-N 3.17Å; A177-R181 WeakPolarHBondContact O-CB 3.49Å; A177-R181 PolarHBondContact O-N 2.9Å
178	E	98.1	Very high	98.2	Very high	114 Å²	114	69.2 Å²	69.2	53%	0.533	35%	0.345	S	S	.	.	H	α-helix	trans	-65.9	-37.9	177.4	-63.8	177.8	-175.5	0	0	111.4	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.25Å; R175-E178 IonicContact NH1-OE1 2.77Å; R175-E178 PolarHBondContact NH1-OE1 2.79Å; R175-E178 IonicContact NH1-OE2 3.43Å; R175-E178 WeakPolarHBondContact O-CB 3.39Å; R175-E178 PolarHBondContact O-N 3.03Å; E176-E178 VanDerWaalsContact C-N 3.26Å; E176-E178 PolarHBondContact O-N 2.95Å; E178-A182 WeakPolarHBondContact O-CB 3.38Å; E178-A182 PolarHBondContact O-N 3.41Å
179	Q	97.4	Very high	98.2	Very high	123 Å²	123	67.7 Å²	67.7	58%	0.575	34%	0.339	S	S	*	.	H	α-helix	trans	-69.1	-45	177.3	-59.1	-176.8	29.4	0	0	111.3	E176 A177 A182 Y183	E176-Q179 PolarHBondContact O-N 3.02Å; E176-Q179 VanDerWaalsContact O-N 3.11Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 3.27Å; Q179-A182 PolarHBondContact O-N 2.63Å; Q179-Y183 PolarHBondContact O-N 3.27Å
180	W	98.1	Very high	98.1	Very high	41 Å²	41	66.2 Å²	66.2	16%	0.155	34%	0.339	C	S	.	.	H	α-helix	trans	-64.1	-42.5	176.9	-81.5	101.7	0	0	0	112	R121 Y123 D138 L150 E176 A177 A182 Y183 L184	R121-W180 VanDerWaalsContact CZ-CZ2 3.4Å; Y123-W180 HydrophobicContact CD1-CH2 4.41Å; Y123-W180 HydrophobicContact CD2-CH2 4.37Å; Y123-W180 AromaticContact CD2-CZ3 3.83Å; Y123-W180 HydrophobicContact CD2-CZ3 3.83Å; Y123-W180 HydrophobicContact CE2-CZ3 4.4Å; Y123-W180 HydrophobicContact CG-CH2 4.24Å; Y123-W180 AromaticContact CG-CZ3 3.93Å; Y123-W180 HydrophobicContact CG-CZ3 3.93Å; D138-W180 HydrophobicContact CB-CD2 4.36Å; D138-W180 HydrophobicContact CB-CE3 4.3Å; L150-W180 HydrophobicContact CD2-CB 4.02Å; E176-W180 PolarHBondContact O-N 3.42Å; A177-W180 PolarHBondContact O-N 3.17Å; W180-A182 VanDerWaalsContact C-N 3.35Å; W180-A182 PolarHBondContact O-N 3Å; W180-Y183 HydrophobicContact CE3-CD1 4Å; W180-Y183 AromaticContact CZ3-CD1 3.82Å; W180-Y183 HydrophobicContact CZ3-CD1 3.82Å; W180-Y183 HydrophobicContact CZ3-CE1 4.14Å; W180-Y183 PolarHBondContact O-N 3.29Å; W180-L184 VanDerWaalsContact O-CB 3.32Å; W180-L184 WeakPolarHBondContact O-CB 3.42Å; W180-L184 WeakPolarHBondContact O-CG 3.34Å; W180-L184 PolarHBondContact O-N 3.42Å
181	R	98.4	Very high	98.1	Very high	75 Å²	75	62.8 Å²	62.8	28%	0.283	32%	0.323	S	S	.	.	H	α-helix	trans	-58.2	-46.4	174.1	-174.7	172.9	-179.6	-142.4	-13.6	112	L154 R155 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.91Å; L154-R181 HydrophobicContact CD1-CG 4.24Å; R155-R181 VanDerWaalsContact NH2-NH1 3.16Å; A177-R181 WeakPolarHBondContact O-CB 3.49Å; A177-R181 PolarHBondContact O-N 2.9Å; R181-Y183 VanDerWaalsContact C-N 3.33Å; R181-Y183 PolarHBondContact O-N 3.23Å; R181-L184 PolarHBondContact O-N 3.18Å; R181-E185 HydrophobicContact CG-CG 4.14Å; R181-E185 IonicContact CZ-OE1 2.79Å; R181-E185 VanDerWaalsContact CZ-OE1 3.32Å; R181-E185 IonicContact CZ-OE2 3.57Å; R181-E185 IonicContact NE-OE1 2.78Å; R181-E185 PolarHBondContact NE-OE1 3.17Å; R181-E185 IonicContact NE-OE2 3.08Å; R181-E185 PolarHBondContact NE-OE2 2.68Å; R181-E185 IonicContact NH2-OE1 2.68Å; R181-E185 PolarHBondContact NH2-OE1 3.1Å; R181-E185 IonicContact NH2-OE2 3.68Å; R181-E185 WeakPolarHBondContact O-CB 3.5Å; R181-E185 WeakPolarHBondContact O-CG 3.36Å; R181-E185 PolarHBondContact O-N 3.13Å
182	A	98.4	Very high	98.1	Very high	64 Å²	64	60.3 Å²	60.3	53%	0.529	31%	0.313	S	S	.	.	H	α-helix	trans	-61.3	-40.3	177.4	0	0	0	0	0	112.6	E178 Q179 W180 G186	E178-A182 WeakPolarHBondContact O-CB 3.38Å; E178-A182 PolarHBondContact O-N 3.41Å; Q179-A182 PolarHBondContact O-N 2.63Å; W180-A182 VanDerWaalsContact C-N 3.35Å; W180-A182 PolarHBondContact O-N 3Å; A182-G186 PolarHBondContact O-N 2.89Å; A182-G186 VanDerWaalsContact O-N 3.12Å
183	Y	98.3	Very high	98	Very high	49 Å²	49	61.4 Å²	61.4	19%	0.192	31%	0.313	C	S	.	.	I	π-helix	trans	-65.2	-47.5	174.3	170.6	-100.2	0	0	0	112.2	Y123 Q179 W180 R181 G186 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 3.83Å; Y123-Y183 HydrophobicContact CE2-CE1 3.83Å; Y123-Y183 AromaticContact CE2-CZ 4Å; Q179-Y183 PolarHBondContact O-N 3.27Å; W180-Y183 HydrophobicContact CE3-CD1 4Å; W180-Y183 AromaticContact CZ3-CD1 3.82Å; W180-Y183 HydrophobicContact CZ3-CD1 3.82Å; W180-Y183 HydrophobicContact CZ3-CE1 4.14Å; W180-Y183 PolarHBondContact O-N 3.29Å; R181-Y183 VanDerWaalsContact C-N 3.33Å; R181-Y183 PolarHBondContact O-N 3.23Å; Y183-G186 CarbonylContact O-C 3.56Å; Y183-T187 HydrophobicContact CD2-CG2 3.99Å; Y183-T187 HydrophobicContact CE2-CG2 3.82Å; Y183-T187 PolarHBondContact O-N 3.18Å; Y183-T187 VanDerWaalsContact O-N 3.1Å; Y183-C188 HydrophobicContact CD1-CB 4.39Å; Y183-C188 HydrophobicContact CE1-CB 3.94Å; Y183-C188 WeakPolarHBondContact O-CB 3.38Å; Y183-C188 PolarHBondContact O-N 3.14Å
184	L	98.6	Very high	98	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.3	C	S	.	.	I	π-helix	trans	-70.5	-39.5	-174.6	-69.9	170.3	0	0	0	112.5	G124 L150 L154 W180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.45Å; L150-L184 HydrophobicContact CD2-CD1 3.91Å; L154-L184 HydrophobicContact CD2-CD1 3.97Å; W180-L184 VanDerWaalsContact O-CB 3.32Å; W180-L184 WeakPolarHBondContact O-CB 3.42Å; W180-L184 WeakPolarHBondContact O-CG 3.34Å; W180-L184 PolarHBondContact O-N 3.42Å; R181-L184 PolarHBondContact O-N 3.18Å; L184-V189 WeakPolarHBondContact O-CG2 3.32Å
185	E	98	Very high	97.9	Very high	90 Å²	90	60.4 Å²	60.4	42%	0.421	28%	0.279	S	S	.	.	I	π-helix	trans	-78.6	-24.2	177.2	-68.9	179.8	168.8	0	0	113	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.39Å; L133-E185 HydrophobicContact CD2-CG 3.69Å; L154-E185 HydrophobicContact CD1-CG 4.29Å; R181-E185 HydrophobicContact CG-CG 4.14Å; R181-E185 IonicContact CZ-OE1 2.79Å; R181-E185 VanDerWaalsContact CZ-OE1 3.32Å; R181-E185 IonicContact CZ-OE2 3.57Å; R181-E185 IonicContact NE-OE1 2.78Å; R181-E185 PolarHBondContact NE-OE1 3.17Å; R181-E185 IonicContact NE-OE2 3.08Å; R181-E185 PolarHBondContact NE-OE2 2.68Å; R181-E185 IonicContact NH2-OE1 2.68Å; R181-E185 PolarHBondContact NH2-OE1 3.1Å; R181-E185 IonicContact NH2-OE2 3.68Å; R181-E185 WeakPolarHBondContact O-CB 3.5Å; R181-E185 WeakPolarHBondContact O-CG 3.36Å; R181-E185 PolarHBondContact O-N 3.13Å
186	G	97.9	Very high	97.8	Very high	23 Å²	23	53.5 Å²	53.5	24%	0.237	25%	0.254	C	S	.	.	I	π-helix	trans	-109.9	-90.7	-177.6	0	0	0	0	0	112.8	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.89Å; A182-G186 VanDerWaalsContact O-N 3.12Å; Y183-G186 CarbonylContact O-C 3.56Å; G186-C188 VanDerWaalsContact C-N 3.32Å; G186-C188 PolarHBondContact O-N 2.65Å; G186-V189 PolarHBondContact O-N 2.85Å; G186-V189 VanDerWaalsContact O-N 3.11Å; G186-E190 WeakPolarHBondContact O-CG 3.35Å; G186-E190 PolarHBondContact O-N 3.49Å
187	T	97.9	Very high	97.7	Very high	53 Å²	53	56.8 Å²	56.8	33%	0.325	27%	0.27	S	S	.	.	I	π-helix	trans	-54.7	-42.5	-170.3	-57.1	0	0	0	0	113.2	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.99Å; Y183-T187 HydrophobicContact CE2-CG2 3.82Å; Y183-T187 PolarHBondContact O-N 3.18Å; Y183-T187 VanDerWaalsContact O-N 3.1Å; T187-V189 PolarHBondContact O-N 2.98Å; T187-E190 PolarHBondContact O-N 2.85Å; T187-W191 VanDerWaalsContact CG2-CD1 3.45Å; T187-W191 PolarHBondContact O-N 2.78Å
188	C	98.4	Very high	97.6	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.3	-48.6	179.2	-170.3	0	0	0	0	111.5	M29 C125 Y183 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.2Å; M29-C188 WeakPolarHBondContact CE-O 3.41Å; M29-C188 WeakPolarHBondContact CE-SG 3.42Å; C125-C188 HydrophobicContact CB-CB 3.92Å; C125-C188 WeakPolarHBondContact CB-SG 3.35Å; C125-C188 PolarHBondContact N-SG 3.14Å; C125-C188 VanDerWaalsContact N-SG 3.38Å; C125-C188 WeakPolarHBondContact SG-CB 3.4Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.85Å; Y183-C188 HydrophobicContact CD1-CB 4.39Å; Y183-C188 HydrophobicContact CE1-CB 3.94Å; Y183-C188 WeakPolarHBondContact O-CB 3.38Å; Y183-C188 PolarHBondContact O-N 3.14Å; G186-C188 VanDerWaalsContact C-N 3.32Å; G186-C188 PolarHBondContact O-N 2.65Å; C188-E190 PolarHBondContact O-N 2.7Å; C188-W191 PolarHBondContact O-N 2.81Å; C188-L192 WeakPolarHBondContact O-CB 3.28Å; C188-L192 PolarHBondContact O-N 2.61Å
189	V	98.3	Very high	97.5	Very high	8 Å²	8	53.5 Å²	53.5	5%	0.048	26%	0.255	C	S	.	.	H	α-helix	trans	-61.8	-45.1	178.2	175.6	0	0	0	0	111.1	L127 L133 L184 G186 T187 L192 R193	L127-V189 HydrophobicContact CD1-CG1 4.48Å; L127-V189 HydrophobicContact CD2-CB 4.16Å; L127-V189 HydrophobicContact CD2-CG1 3.78Å; L127-V189 HydrophobicContact CD2-CG2 3.8Å; L133-V189 HydrophobicContact CB-CG2 4.02Å; L133-V189 HydrophobicContact CD1-CG2 4.09Å; L184-V189 WeakPolarHBondContact O-CG2 3.32Å; G186-V189 PolarHBondContact O-N 2.85Å; G186-V189 VanDerWaalsContact O-N 3.11Å; T187-V189 PolarHBondContact O-N 2.98Å; V189-L192 PolarHBondContact O-N 3.34Å; V189-R193 WeakPolarHBondContact O-CG 3.22Å; V189-R193 PolarHBondContact O-N 3.45Å
190	E	98	Very high	97.3	Very high	126 Å²	126	52.9 Å²	52.9	59%	0.589	25%	0.251	S	S	*	.	H	α-helix	trans	-61	-46.6	179.3	-71.6	174.1	174.9	0	0	112.2	G186 T187 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3.35Å; G186-E190 PolarHBondContact O-N 3.49Å; T187-E190 PolarHBondContact O-N 2.85Å; C188-E190 PolarHBondContact O-N 2.7Å; E190-R194 PolarHBondContact O-N 2.85Å; E190-R194 VanDerWaalsContact O-N 3.09Å
191	W	98	Very high	96.9	Very high	43 Å²	43	59.5 Å²	59.5	16%	0.163	28%	0.283	C	S	.	.	H	α-helix	trans	-68.2	-42.2	178.8	-82	101.9	0	0	0	112.3	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.05Å; M29-W191 HydrophobicContact SD-CB 4.41Å; Y83-W191 AromaticContact CD2-CH2 3.55Å; Y83-W191 HydrophobicContact CD2-CH2 3.55Å; Y83-W191 HydrophobicContact CD2-CZ2 4.29Å; Y83-W191 AromaticContact CD2-CZ3 3.75Å; Y83-W191 HydrophobicContact CD2-CZ3 3.75Å; Y83-W191 HydrophobicContact CE2-CE3 4.22Å; Y83-W191 AromaticContact CE2-CH2 3.91Å; Y83-W191 HydrophobicContact CE2-CH2 3.91Å; Y83-W191 AromaticContact CE2-CZ3 3.71Å; Y83-W191 HydrophobicContact CE2-CZ3 3.71Å; T187-W191 VanDerWaalsContact CG2-CD1 3.45Å; T187-W191 PolarHBondContact O-N 2.78Å; C188-W191 PolarHBondContact O-N 2.81Å; W191-R193 VanDerWaalsContact C-N 3.35Å; W191-R193 PolarHBondContact O-N 2.81Å; W191-R194 WeakPolarHBondContact O-CB 3.49Å; W191-R194 PolarHBondContact O-N 2.85Å; W191-Y195 HydrophobicContact CB-CE2 4.01Å; W191-Y195 HydrophobicContact CE3-CD1 4.47Å; W191-Y195 AromaticContact CE3-CE1 3.59Å; W191-Y195 HydrophobicContact CE3-CE1 3.59Å; W191-Y195 HydrophobicContact CE3-CE2 4.22Å; W191-Y195 AromaticContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.43Å; W191-Y195 AromaticContact CZ3-CE1 3.98Å; W191-Y195 HydrophobicContact CZ3-CE1 3.98Å; W191-Y195 VanDerWaalsContact O-CD2 3.24Å; W191-Y195 WeakPolarHBondContact O-CD2 3.38Å; W191-Y195 VanDerWaalsContact O-CG 3.26Å; W191-Y195 PolarHBondContact O-N 3.28Å
192	L	98.1	Very high	96.5	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.2	-45.2	177	174.9	50.4	0	0	0	111.1	H27 M29 V52 L127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.45Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.97Å; M29-L192 HydrophobicContact CB-CG 4.24Å; M29-L192 HydrophobicContact CE-CB 4.31Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; L127-L192 HydrophobicContact CD1-CB 4.26Å; L127-L192 HydrophobicContact CD1-CD2 3.68Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CD2-CD2 4.49Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.23Å; C188-L192 WeakPolarHBondContact O-CB 3.28Å; C188-L192 PolarHBondContact O-N 2.61Å; V189-L192 PolarHBondContact O-N 3.34Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 3.32Å; L192-Y195 PolarHBondContact O-N 2.99Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.37Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.01Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.46Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.4Å; L192-L196 PolarHBondContact O-N 3.11Å
193	R	96.7	Very high	96.1	Very high	120 Å²	120	55.3 Å²	55.3	45%	0.453	26%	0.259	S	S	.	.	H	α-helix	trans	-58.9	-43.4	174.4	-72.3	174.9	-177.6	168.4	-0.5	112.5	L127 G131 V189 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.96Å; G131-R193 VanDerWaalsContact O-CZ 3.29Å; G131-R193 PolarHBondContact O-NE 3.19Å; G131-R193 VanDerWaalsContact O-NE 3.08Å; G131-R193 PolarHBondContact O-NH2 2.82Å; V189-R193 WeakPolarHBondContact O-CG 3.22Å; V189-R193 PolarHBondContact O-N 3.45Å; W191-R193 VanDerWaalsContact C-N 3.35Å; W191-R193 PolarHBondContact O-N 2.81Å; R193-L196 PolarHBondContact O-N 3.12Å; R193-E197 PolarHBondContact O-N 2.73Å
194	R	96.9	Very high	95.6	Very high	119 Å²	119	57.3 Å²	57.3	45%	0.449	27%	0.271	S	S	.	.	H	α-helix	trans	-61.3	-44.1	176.4	177.1	176.7	173.5	132.1	0.3	111.7	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.53Å; E79-R194 VanDerWaalsContact OE1-CZ 3.3Å; E79-R194 IonicContact OE1-NE 2.74Å; E79-R194 PolarHBondContact OE1-NE 3.13Å; E79-R194 IonicContact OE1-NH2 2.97Å; E79-R194 PolarHBondContact OE1-NH2 2.8Å; E79-R194 IonicContact OE2-CZ 3.36Å; E79-R194 IonicContact OE2-NE 3.32Å; E79-R194 IonicContact OE2-NH2 3.79Å; E79-R194 PolarHBondContact OE2-NH2 2.89Å; E190-R194 PolarHBondContact O-N 2.85Å; E190-R194 VanDerWaalsContact O-N 3.09Å; W191-R194 WeakPolarHBondContact O-CB 3.49Å; W191-R194 PolarHBondContact O-N 2.85Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 3.32Å; R194-E197 PolarHBondContact O-N 3.15Å; R194-N198 WeakPolarHBondContact O-CB 3.48Å; R194-N198 PolarHBondContact O-N 3.29Å; R194-N198 PolarHBondContact O-OD1 3.36Å
195	Y	97.3	Very high	95.1	Very high	1 Å²	1	61.4 Å²	61.4	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-67.8	-39.1	178.7	-62	-34.1	0	0	0	112.6	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.77Å; M29-Y195 HydrophobicContact SD-CE2 3.58Å; M29-Y195 VanDerWaalsContact SD-CE2 3.58Å; V52-Y195 HydrophobicContact CG2-CD2 3.95Å; V52-Y195 HydrophobicContact CG2-CG 4.42Å; F57-Y195 AromaticContact CE2-CE2 3.88Å; F57-Y195 HydrophobicContact CE2-CE2 3.88Å; F57-Y195 HydrophobicContact CZ-CD2 4.47Å; F57-Y195 AromaticContact CZ-CE2 3.9Å; F57-Y195 HydrophobicContact CZ-CE2 3.9Å; W75-Y195 HydrophobicContact CE3-CD1 4.21Å; W75-Y195 HydrophobicContact CE3-CG 4.47Å; 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 4.33Å; W75-Y195 HydrophobicContact CZ3-CE1 4.29Å; W75-Y195 AromaticContact CZ3-CG 3.59Å; W75-Y195 HydrophobicContact CZ3-CG 3.59Å; V76-Y195 HydrophobicContact CG2-CE1 4.22Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.22Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.39Å; Y83-Y195 PolarHBondContact OH-OH 2.86Å; W191-Y195 HydrophobicContact CB-CE2 4.01Å; W191-Y195 HydrophobicContact CE3-CD1 4.47Å; W191-Y195 AromaticContact CE3-CE1 3.59Å; W191-Y195 HydrophobicContact CE3-CE1 3.59Å; W191-Y195 HydrophobicContact CE3-CE2 4.22Å; W191-Y195 AromaticContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.43Å; W191-Y195 AromaticContact CZ3-CE1 3.98Å; W191-Y195 HydrophobicContact CZ3-CE1 3.98Å; W191-Y195 VanDerWaalsContact O-CD2 3.24Å; W191-Y195 WeakPolarHBondContact O-CD2 3.38Å; W191-Y195 VanDerWaalsContact O-CG 3.26Å; W191-Y195 PolarHBondContact O-N 3.28Å; L192-Y195 PolarHBondContact O-N 2.99Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 2.91Å; Y195-N198 PolarHBondContact O-N 2.83Å; Y195-G199 WeakPolarHBondContact O-CA 3.15Å; Y195-G199 PolarHBondContact O-N 3.42Å; Y195-L203 WeakPolarHBondContact O-CD1 3.18Å
196	L	95.8	Very high	94.8	Very high	13 Å²	13	59 Å²	59	7%	0.068	28%	0.282	C	S	.	.	H	α-helix	trans	-62.6	-36.1	174.6	-71	169.5	0	0	0	112.3	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 4Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.38Å; V52-L196 HydrophobicContact CG1-CD2 4.04Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.37Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.01Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.46Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.4Å; L192-L196 PolarHBondContact O-N 3.11Å; R193-L196 PolarHBondContact O-N 3.12Å; L196-K200 WeakPolarHBondContact O-CA 3.44Å; L196-K200 WeakPolarHBondContact O-CB 3.47Å; L196-K200 PolarHBondContact O-N 3.14Å; L196-K200 VanDerWaalsContact O-N 3.11Å; L196-L203 HydrophobicContact CD2-CB 4.16Å; L196-L203 HydrophobicContact CD2-CD1 4.33Å; L196-Q204 PolarHBondContact O-NE2 3Å
197	E	95.4	Very high	94.6	Very high	123 Å²	123	60.9 Å²	60.9	58%	0.575	28%	0.284	S	S	*	.	H	α-helix	trans	-71.9	-48.2	174.5	-171.8	60.1	-152.4	0	0	111.2	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.73Å; R194-E197 PolarHBondContact O-N 3.15Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 2.91Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 3.06Å; E197-K200 WeakPolarHBondContact O-CB 3.47Å; E197-K200 PolarHBondContact O-N 3.13Å
198	N	96.3	Very high	94.4	Very high	49 Å²	49	63 Å²	63	26%	0.262	29%	0.29	S	S	.	.	H	α-helix	trans	-60.2	-39.7	178.7	-70.3	-4.6	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 3.41Å; Q78-N198 PolarHBondContact NE2-OD1 3.2Å; E79-N198 PolarHBondContact OE1-ND2 3Å; R194-N198 WeakPolarHBondContact O-CB 3.48Å; R194-N198 PolarHBondContact O-N 3.29Å; R194-N198 PolarHBondContact O-OD1 3.36Å; Y195-N198 PolarHBondContact O-N 2.83Å
199	G	95.1	Very high	94.4	Very high	3 Å²	3	63.3 Å²	63.3	3%	0.031	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	19.3	-175.5	0	0	0	0	0	113.6	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.15Å; Y195-G199 PolarHBondContact O-N 3.42Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 3.06Å; G199-E201 VanDerWaalsContact C-N 3.27Å; G199-E201 PolarHBondContact O-N 2.8Å; G199-E201 VanDerWaalsContact O-N 3.15Å; G199-T202 CarbonylContact O-C 3.51Å; G199-T202 WeakPolarHBondContact O-CA 3.23Å; G199-T202 PolarHBondContact O-N 2.75Å; G199-T202 PolarHBondContact O-OG1 2.82Å; G199-L203 WeakPolarHBondContact O-CB 3.32Å; G199-L203 PolarHBondContact O-N 2.94Å
200	K	92.9	Very high	94.4	Very high	111 Å²	111	70.3 Å²	70.3	48%	0.483	32%	0.322	S	S	.	.	H	α-helix	trans	-49.5	-44.2	-171.8	-177.7	172.7	-175.3	173.8	0	113.8	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.44Å; L196-K200 WeakPolarHBondContact O-CB 3.47Å; L196-K200 PolarHBondContact O-N 3.14Å; L196-K200 VanDerWaalsContact O-N 3.11Å; E197-K200 WeakPolarHBondContact O-CB 3.47Å; E197-K200 PolarHBondContact O-N 3.13Å; K200-T202 PolarHBondContact O-N 2.87Å; K200-Q204 WeakPolarHBondContact O-CB 3.33Å; K200-Q204 PolarHBondContact O-N 2.88Å
201	E	90	Very high	94.4	Very high	180 Å²	180	66 Å²	66	84%	0.841	30%	0.304	S	S	*	.	H	α-helix	trans	-63.8	-26.7	179.7	-62.6	-175.4	167.7	0	0	113.3	G199 R205	G199-E201 VanDerWaalsContact C-N 3.27Å; G199-E201 PolarHBondContact O-N 2.8Å; G199-E201 VanDerWaalsContact O-N 3.15Å; E201-R205 WeakPolarHBondContact O-CD 3.15Å
202	T	89.4	Confident	94.3	Very high	46 Å²	46	67.7 Å²	67.7	28%	0.282	31%	0.314	S	S	.	.	H	α-helix	trans	-105.2	-32.6	-176	52.3	0	0	0	0	114.6	W75 G199 K200 R205	W75-T202 VanDerWaalsContact CD1-OG1 3.24Å; G199-T202 CarbonylContact O-C 3.51Å; G199-T202 WeakPolarHBondContact O-CA 3.23Å; G199-T202 PolarHBondContact O-N 2.75Å; G199-T202 PolarHBondContact O-OG1 2.82Å; K200-T202 PolarHBondContact O-N 2.87Å; T202-R205 WeakPolarHBondContact O-CG 3.47Å; T202-R205 PolarHBondContact O-NE 2.84Å; T202-R205 VanDerWaalsContact O-NE 3.13Å
203	L	90.4	Very high	94.3	Very high	4 Å²	4	68.8 Å²	68.8	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-96.4	-28.8	-172.8	-64.9	172.7	0	0	0	112.4	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.18Å; V52-L203 HydrophobicContact CG1-CD1 3.87Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; T55-L203 HydrophobicContact CG2-CD2 4.12Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.41Å; W75-L203 HydrophobicContact CZ2-CD1 3.85Å; W75-L203 HydrophobicContact CZ2-CD2 4.17Å; W75-L203 HydrophobicContact CZ2-CG 4.42Å; Y195-L203 WeakPolarHBondContact O-CD1 3.18Å; L196-L203 HydrophobicContact CD2-CB 4.16Å; L196-L203 HydrophobicContact CD2-CD1 4.33Å; G199-L203 WeakPolarHBondContact O-CB 3.32Å; G199-L203 PolarHBondContact O-N 2.94Å
204	Q	87.8	Confident	94.4	Very high	92 Å²	92	64.7 Å²	64.7	43%	0.43	31%	0.309	S	S	.	.	S	Bend	trans	-103.1	21.5	178.2	-57.1	178.6	33	0	0	111.7	L196 K200	L196-Q204 PolarHBondContact O-NE2 3Å; K200-Q204 WeakPolarHBondContact O-CB 3.33Å; K200-Q204 PolarHBondContact O-N 2.88Å
205	R	88.4	Confident	94.3	Very high	86 Å²	86	61.6 Å²	61.6	33%	0.325	30%	0.299	S	S	.	.			trans	-96.9	145.4	170.6	72.8	-174.3	171	153.7	11.4	108.9	E201 T202 E207 Y233	E201-R205 WeakPolarHBondContact O-CD 3.15Å; T202-R205 WeakPolarHBondContact O-CG 3.47Å; T202-R205 PolarHBondContact O-NE 2.84Å; T202-R205 VanDerWaalsContact O-NE 3.13Å; R205-E207 IonicContact CZ-OE1 3.78Å; R205-E207 IonicContact NE-OE1 3.03Å; R205-E207 IonicContact NH1-OE1 2.87Å; R205-E207 PolarHBondContact NH1-OE1 2.74Å; R205-E207 IonicContact NH2-OE1 3.05Å; R205-E207 PolarHBondContact NH2-OE1 2.77Å; R205-Y233 HydrophobicContact CG-CD1 4.36Å; R205-Y233 WeakPolarHBondContact O-CD1 3.5Å
206	A	91.4	Very high	94.2	Very high	40 Å²	40	65.3 Å²	65.3	33%	0.331	32%	0.316	S	S	.	.			trans	-115.3	122.8	164.6	0	0	0	0	0	108.3	Y233 E288	A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 WeakPolarHBondContact CA-O 3.2Å; A206-E288 HydrophobicContact CB-CG 4.31Å
207	E	93.8	Very high	94.1	Very high	61 Å²	61	69.4 Å²	69.4	29%	0.285	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-98.4	118.7	173.5	-67.5	-170.6	-155.7	0	0	108.7	R205 F232 Y233 T264 H287	R205-E207 IonicContact CZ-OE1 3.78Å; R205-E207 IonicContact NE-OE1 3.03Å; R205-E207 IonicContact NH1-OE1 2.87Å; R205-E207 PolarHBondContact NH1-OE1 2.74Å; R205-E207 IonicContact NH2-OE1 3.05Å; R205-E207 PolarHBondContact NH2-OE1 2.77Å; E207-F232 WeakPolarHBondContact O-CA 3.33Å; E207-F232 WeakPolarHBondContact O-CB 3.36Å; E207-Y233 PolarHBondContact N-O 2.83Å; E207-Y233 PolarHBondContact O-N 2.66Å; E207-Y233 VanDerWaalsContact O-N 3.09Å; E207-T264 WeakPolarHBondContact OE2-CG2 3.25Å; E207-H287 PolarHBondContact O-CE1 3.04Å; E207-H287 VanDerWaalsContact O-CE1 3.29Å
208	H	95.1	Very high	94	Very high	97 Å²	97	68 Å²	68	45%	0.449	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-68.5	145.2	-178.1	-53.9	-100.1	0	0	0	112	K210 G289 L290	H208-K210 PolarHBondContact O-N 3.05Å; H208-G289 PolarHBondContact CE1-O 3.45Å; H208-G289 PolarHBondContact ND1-O 3.05Å; H208-L290 HydrophobicContact CB-CD2 4.09Å; H208-L290 WeakPolarHBondContact ND1-CA 3.41Å; H208-L290 PolarHBondContact ND1-N 2.91Å
209	P	97.6	Very high	93.8	Very high	7 Å²	7	68.2 Å²	68.2	5%	0.045	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-67.7	129.6	176.6	28.4	-35	0	0	0	111.8	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.89Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 2.62Å; P209-A229 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.16Å; P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; P209-V285 HydrophobicContact CG-CG1 3.95Å; P209-H287 HydrophobicContact CG-CB 4.06Å; P209-L290 HydrophobicContact CG-CD1 3.86Å; P209-L290 HydrophobicContact CG-CD2 4.46Å; P209-L290 HydrophobicContact CG-CG 4.23Å
210	K	97.9	Very high	93.5	Very high	155 Å²	155	75.3 Å²	75.3	67%	0.674	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	111.6	163.3	-65	172	-172.4	165.3	0	107.7	H208 L230	H208-K210 PolarHBondContact O-N 3.05Å; K210-L230 HydrophobicContact CB-CB 4.5Å; K210-L230 PolarHBondContact N-O 2.9Å; K210-L230 PolarHBondContact O-N 3.1Å
211	T	97.9	Very high	93.5	Very high	35 Å²	35	76.9 Å²	76.9	22%	0.215	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	145.7	-171.9	57.6	0	0	0	0	112.5	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.89Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 2.62Å; T211-W228 WeakPolarHBondContact CA-O 3.3Å; T211-W228 WeakPolarHBondContact CB-O 3.24Å; T211-A229 HydrophobicContact CG2-CB 4.25Å; T211-V285 HydrophobicContact CG2-CB 4.45Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.07Å; T211-L294 HydrophobicContact CG2-CD1 4.4Å; T211-L296 VanDerWaalsContact CB-CD1 3.42Å; T211-L296 HydrophobicContact CG2-CD1 4.15Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.31Å
212	H	97.2	Very high	93.8	Very high	80 Å²	80	72.9 Å²	72.9	37%	0.37	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	159.1	172.9	62.5	-75.4	0	0	0	110.3	W228	H212-W228 VanDerWaalsContact CE1-CB 3.43Å; H212-W228 WeakPolarHBondContact CE1-CB 3.35Å; H212-W228 AromaticContact CE1-CD1 3.97Å; H212-W228 AromaticContact CE1-CG 3.72Å; H212-W228 PolarHBondContact N-O 3.47Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.74Å; H212-W228 PolarHBondContact O-N 3.25Å
213	V	98.1	Very high	94.1	Very high	23 Å²	23	70.7 Å²	70.7	14%	0.139	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	126.6	176.2	-178.7	0	0	0	0	109.4	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.34Å; V213-L225 HydrophobicContact CG1-CD2 4.39Å; V213-R226 CarbonylContact C-O 3.58Å; V213-R226 WeakPolarHBondContact CA-O 3.37Å; V213-C227 HydrophobicContact CG2-CB 4.4Å; V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.3Å; V213-W241 HydrophobicContact CG2-CH2 4.3Å; V213-L296 HydrophobicContact CG2-CB 3.93Å; V213-W298 HydrophobicContact CB-CB 4.43Å; V213-W298 HydrophobicContact CG1-CB 3.82Å
214	T	96.9	Very high	94.4	Very high	34 Å²	34	71.7 Å²	71.7	21%	0.209	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	146.8	174	50.5	0	0	0	0	110.3	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-NE2 3.06Å; T214-L225 WeakPolarHBondContact O-CA 3.46Å; T214-R226 PolarHBondContact N-O 3.46Å; T214-R226 PolarHBondContact O-N 3.27Å; T214-R226 WeakPolarHBondContact OG1-CB 3.38Å; T214-R226 PolarHBondContact OG1-O 3.08Å; T214-R226 VanDerWaalsContact OG1-O 3.08Å; T214-W228 PolarHBondContact OG1-NE1 3.43Å; T214-W228 VanDerWaalsContact OG1-NE1 3.13Å
215	H	96.1	Very high	94.9	Very high	54 Å²	54	67.3 Å²	67.3	25%	0.25	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.2	-180	169.5	-94.1	0	0	0	109.6	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.48Å; H215-L225 HydrophobicContact CB-CD2 3.99Å; H215-E278 IonicContact NE2-OE1 3.56Å; H215-W298 HydrophobicContact CB-CD2 4.1Å; H215-W298 HydrophobicContact CB-CG 4.16Å; H215-W298 HydrophobicContact CB-CZ2 4Å; H215-W298 VanDerWaalsContact CB-NE1 3.28Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.78Å; H215-W298 AromaticContact ND1-CZ2 3.93Å
216	H	95.2	Very high	95.4	Very high	78 Å²	78	65.7 Å²	65.7	36%	0.361	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	103.9	-178.4	-58.6	-69	0	0	0	109.5	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-NE2 3.06Å; H216-V218 PolarHBondContact O-N 2.83Å; H216-A223 CarbonylContact O-C 3.59Å; H216-A223 WeakPolarHBondContact O-CA 3.27Å; H216-T224 PolarHBondContact N-O 3.15Å; H216-T224 PolarHBondContact O-N 2.87Å; H216-R226 PolarHBondContact CD2-NH1 2.65Å; H216-R226 VanDerWaalsContact CD2-NH1 3.27Å; H216-R226 PolarHBondContact NE2-NH1 3.27Å
217	P	94.1	Very high	95.7	Very high	99 Å²	99	63.8 Å²	63.8	64%	0.643	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.2	131.4	173.6	-20.6	30.9	0	0	0	110.7
218	V	91.7	Very high	95.9	Very high	95 Å²	95	63.2 Å²	63.2	58%	0.576	32%	0.322	S	S	*	.			trans	-105.1	-41.2	176.2	-179	0	0	0	0	110	H216 E222 T224	H216-V218 PolarHBondContact O-N 2.83Å; V218-E222 PolarHBondContact N-O 2.8Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.2Å
219	S	92.3	Very high	96.1	Very high	53 Å²	53	58.6 Å²	58.6	37%	0.371	30%	0.301	S	S	.	.	S	Bend	trans	-148.1	-178.4	175.2	72.3	0	0	0	0	110.6	H221 E222	S219-H221 PolarHBondContact O-N 2.91Å; S219-H221 PolarHBondContact OG-N 3.17Å; S219-E222 PolarHBondContact N-O 2.88Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 3.44Å
220	D	89.6	Confident	96.1	Very high	152 Å²	152	60.8 Å²	60.8	81%	0.813	31%	0.312	S	S	*	.	S	Bend	trans	-66.5	-10.2	172.6	-65.5	-21.6	0	0	0	113.3
221	H	93	Very high	96.1	Very high	144 Å²	144	54.3 Å²	54.3	67%	0.667	29%	0.289	S	S	*	.	S	Bend	trans	-115.8	-15.8	-175.8	-56.1	-45.5	0	0	0	113.4	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.91Å; S219-H221 PolarHBondContact OG-N 3.17Å; H221-P274 WeakPolarHBondContact O-CA 3.32Å; H221-S275 PolarHBondContact O-N 2.82Å; H221-S275 PolarHBondContact O-OG 2.99Å
222	E	95.3	Very high	96.1	Very high	95 Å²	95	52.7 Å²	52.7	44%	0.444	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	144	-171	-66.5	179.5	168.6	0	0	112.2	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.8Å; S219-E222 PolarHBondContact N-O 2.88Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 3.44Å; E222-V272 HydrophobicContact CB-CG1 4.09Å; E222-V272 HydrophobicContact CG-CG1 4.3Å; E222-V273 WeakPolarHBondContact CA-O 3.45Å; E222-S275 PolarHBondContact N-OG 2.79Å
223	A	96	Very high	96	Very high	1 Å²	1	49 Å²	49	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	156.1	170.9	0	0	0	0	0	110.6	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.48Å; H216-A223 CarbonylContact O-C 3.59Å; H216-A223 WeakPolarHBondContact O-CA 3.27Å; A223-V272 WeakPolarHBondContact O-CA 3.49Å; A223-V273 HydrophobicContact CB-CG2 4.45Å; A223-V273 PolarHBondContact N-O 3.48Å; A223-V273 WeakPolarHBondContact O-CG2 3.46Å; A223-V273 PolarHBondContact O-N 2.89Å
224	T	97.6	Very high	95.8	Very high	24 Å²	24	48.7 Å²	48.7	15%	0.147	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	122.9	169.9	-54.9	0	0	0	0	109.3	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 3.15Å; H216-T224 PolarHBondContact O-N 2.87Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.2Å; T224-A270 HydrophobicContact CG2-CB 3.92Å; T224-V271 WeakPolarHBondContact CA-O 3.21Å
225	L	98.1	Very high	95.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	127.5	164.8	-63.3	-176.7	0	0	0	108.8	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.34Å; V213-L225 HydrophobicContact CG1-CD2 4.39Å; T214-L225 WeakPolarHBondContact O-CA 3.46Å; H215-L225 HydrophobicContact CB-CD2 3.99Å; L225-W241 HydrophobicContact CB-CH2 3.67Å; L225-W241 HydrophobicContact CB-CZ2 3.81Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.02Å; L225-W241 HydrophobicContact CD1-CZ3 4.2Å; L225-A270 CarbonylContact O-C 3.52Å; L225-A270 WeakPolarHBondContact O-CA 3.46Å; L225-V271 HydrophobicContact CB-CG2 4.18Å; L225-V271 PolarHBondContact N-O 3.32Å; L225-V271 PolarHBondContact O-N 2.88Å; L225-V273 HydrophobicContact CD1-CG1 4.02Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.17Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; L225-E278 HydrophobicContact CD1-CB 4.12Å; L225-E278 HydrophobicContact CD2-CG 4.37Å; L225-W298 HydrophobicContact CD1-CB 4.42Å; L225-W298 HydrophobicContact CD2-CB 3.84Å; L225-W298 HydrophobicContact CD2-CD2 4.36Å; L225-W298 HydrophobicContact CD2-CG 3.96Å
226	R	98.3	Very high	95.7	Very high	52 Å²	52	52.1 Å²	52.1	20%	0.196	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	116.8	176.3	-179.7	-177.2	-62	115.2	0.1	110.5	V213 T214 H216 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.58Å; V213-R226 WeakPolarHBondContact CA-O 3.37Å; T214-R226 PolarHBondContact N-O 3.46Å; T214-R226 PolarHBondContact O-N 3.27Å; T214-R226 WeakPolarHBondContact OG1-CB 3.38Å; T214-R226 PolarHBondContact OG1-O 3.08Å; T214-R226 VanDerWaalsContact OG1-O 3.08Å; H216-R226 PolarHBondContact CD2-NH1 2.65Å; H216-R226 VanDerWaalsContact CD2-NH1 3.27Å; H216-R226 PolarHBondContact NE2-NH1 3.27Å; R226-W228 HydrophobicContact CG-CZ2 4.42Å; R226-W268 HydrophobicContact CG-CB 3.99Å; R226-W268 HydrophobicContact CG-CD2 4.08Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.18Å; R226-A269 WeakPolarHBondContact CA-O 3.44Å; R226-A270 HydrophobicContact CB-CB 4Å; R226-A270 HydrophobicContact CG-CB 4.15Å
227	C	98.3	Very high	95.8	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	122.5	175.5	-174.1	0	0	0	0	109.6	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.4Å; C227-W241 HydrophobicContact CB-CH2 4.49Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; C227-W268 CarbonylContact O-C 3.59Å; C227-W268 WeakPolarHBondContact O-CA 3.24Å; C227-W268 WeakPolarHBondContact O-CB 3.36Å; C227-A269 PolarHBondContact N-O 3.27Å; C227-A269 PolarHBondContact O-N 3.04Å; C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.07Å; C227-C283 WeakPolarHBondContact SG-CB 3.22Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.9Å
228	W	98.4	Very high	95.9	Very high	49 Å²	49	47 Å²	47	19%	0.186	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	142.1	180	-70	89.8	0	0	0	110.6	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.3Å; T211-W228 WeakPolarHBondContact CB-O 3.24Å; H212-W228 VanDerWaalsContact CE1-CB 3.43Å; H212-W228 WeakPolarHBondContact CE1-CB 3.35Å; H212-W228 AromaticContact CE1-CD1 3.97Å; H212-W228 AromaticContact CE1-CG 3.72Å; H212-W228 PolarHBondContact N-O 3.47Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.74Å; H212-W228 PolarHBondContact O-N 3.25Å; T214-W228 PolarHBondContact OG1-NE1 3.43Å; T214-W228 VanDerWaalsContact OG1-NE1 3.13Å; R226-W228 HydrophobicContact CG-CZ2 4.42Å; W228-L230 HydrophobicContact CE3-CD2 3.87Å; W228-L230 HydrophobicContact CZ3-CD2 4.41Å; W228-W268 HydrophobicContact CD2-CB 3.95Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.88Å; W228-W268 HydrophobicContact CE3-CG 4.19Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.62Å; W228-W268 HydrophobicContact CH2-CG 4.27Å; W228-W268 HydrophobicContact CZ3-CB 4.3Å; W228-W268 AromaticContact CZ3-CD1 3.4Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.4Å; W228-W268 HydrophobicContact CZ3-CG 4.11Å
229	A	98.5	Very high	96.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	123.5	162.3	0	0	0	0	0	107.7	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.88Å; T211-A229 HydrophobicContact CG2-CB 4.25Å; A229-F232 HydrophobicContact CB-CD1 4.05Å; A229-F232 HydrophobicContact CB-CE1 3.8Å; A229-F232 WeakPolarHBondContact O-CE1 3.44Å; A229-I237 HydrophobicContact CB-CD1 3.71Å; A229-L239 HydrophobicContact CB-CD1 4.05Å; A229-L239 HydrophobicContact CB-CD2 4.17Å; A229-Q266 VanDerWaalsContact O-CA 3.28Å; A229-Q266 WeakPolarHBondContact O-CA 3.06Å; A229-K267 PolarHBondContact N-O 3.2Å; A229-K267 PolarHBondContact O-N 2.86Å; A229-K267 VanDerWaalsContact O-O 3.09Å
230	L	98.3	Very high	96.5	Very high	54 Å²	54	42.2 Å²	42.2	28%	0.283	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.7	-174.9	-58.5	177.2	0	0	0	111	K210 W228 F232 Q266	K210-L230 HydrophobicContact CB-CB 4.5Å; K210-L230 PolarHBondContact N-O 2.9Å; K210-L230 PolarHBondContact O-N 3.1Å; W228-L230 HydrophobicContact CE3-CD2 3.87Å; W228-L230 HydrophobicContact CZ3-CD2 4.41Å; L230-F232 PolarHBondContact O-N 3.24Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å
231	G	97.3	Very high	96.9	Very high	19 Å²	19	35 Å²	35	20%	0.196	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.6	34.9	168.4	0	0	0	0	0	113.5	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.15Å; G231-F265 PolarHBondContact N-O 2.75Å
232	F	97	Very high	97.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	154.2	178.3	59.4	-89.3	0	0	0	112	E207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.33Å; E207-F232 WeakPolarHBondContact O-CB 3.36Å; P209-F232 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.16Å; A229-F232 HydrophobicContact CB-CD1 4.05Å; A229-F232 HydrophobicContact CB-CE1 3.8Å; A229-F232 WeakPolarHBondContact O-CE1 3.44Å; L230-F232 PolarHBondContact O-N 3.24Å; F232-P234 WeakPolarHBondContact CD2-O 3.33Å; F232-I237 HydrophobicContact CD1-CD1 3.9Å; F232-I237 HydrophobicContact CD2-CB 4.29Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CE1-CD1 3.81Å; F232-I237 HydrophobicContact CE1-CG2 4.45Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.85Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; F232-T257 HydrophobicContact CE2-CG2 4.09Å; F232-T257 HydrophobicContact CZ-CG2 3.91Å; F232-T264 CarbonylContact O-C 3.59Å; F232-T264 WeakPolarHBondContact O-CA 3.43Å; F232-F265 WeakPolarHBondContact CD1-O 3.03Å; F232-F265 HydrophobicContact CD2-CB 3.95Å; F232-F265 HydrophobicContact CE1-CB 4.29Å; F232-F265 WeakPolarHBondContact CE1-O 3.41Å; F232-F265 HydrophobicContact CE2-CB 3.49Å; F232-F265 VanDerWaalsContact CE2-CB 3.49Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 3.34Å; F232-F265 PolarHBondContact O-N 2.91Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; F232-H287 AromaticContact CD2-CD2 3.76Å; F232-H287 AromaticContact CD2-NE2 3.73Å
233	Y	95.3	Very high	97.2	Very high	3 Å²	3	29.6 Å²	29.6	1%	0.012	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-149.1	137.2	172.8	177.1	-84.5	0	0	0	108.1	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.07Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.46Å; T55-Y233 PolarHBondContact OG1-OH 3.11Å; R205-Y233 HydrophobicContact CG-CD1 4.36Å; R205-Y233 WeakPolarHBondContact O-CD1 3.5Å; A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 WeakPolarHBondContact CA-O 3.2Å; E207-Y233 PolarHBondContact N-O 2.83Å; E207-Y233 PolarHBondContact O-N 2.66Å; E207-Y233 VanDerWaalsContact O-N 3.09Å; Y233-G263 WeakPolarHBondContact CD2-O 3.45Å; Y233-F265 HydrophobicContact CD2-CD2 4.46Å; Y233-F265 AromaticContact CD2-CE2 3.99Å; Y233-F265 HydrophobicContact CD2-CE2 3.99Å; Y233-F265 HydrophobicContact CE2-CE2 4.45Å; Y233-H287 PolarHBondContact O-CE1 3.23Å
234	P	94.7	Very high	97.2	Very high	16 Å²	16	34.3 Å²	34.3	10%	0.104	18%	0.175	C	C	.	.	S	Bend	cis	-72.6	179.5	0.7	30.5	-37.6	0	0	0	112.8	D54 F232 E236 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.22Å; D54-P234 WeakPolarHBondContact OD2-CB 3.44Å; F232-P234 WeakPolarHBondContact CD2-O 3.33Å; P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 3.09Å; P234-H287 PolarHBondContact O-NE2 3.32Å; P234-E288 VanDerWaalsContact CD-CG 3.43Å; P234-E288 WeakPolarHBondContact CD-OE1 3.17Å; P234-E288 VanDerWaalsContact CG-CD 3.43Å; P234-E288 HydrophobicContact CG-CG 3.6Å; P234-E288 VanDerWaalsContact CG-OE1 3.26Å; P234-E288 WeakPolarHBondContact CG-OE1 3.45Å
235	A	96	Very high	96.9	Very high	15 Å²	15	35.5 Å²	35.5	12%	0.124	19%	0.192	C	C	.	.	S	Bend	trans	-70.6	-24.5	-174.5	0	0	0	0	0	113.9	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.33Å; D54-A235 WeakPolarHBondContact OD2-CB 3.49Å; D54-A235 PolarHBondContact OD2-N 3.3Å; A235-I237 PolarHBondContact O-N 3.36Å; A235-T257 HydrophobicContact CB-CG2 4.28Å; A235-F265 HydrophobicContact CB-CD1 3.73Å; A235-F265 HydrophobicContact CB-CD2 3.72Å; A235-F265 HydrophobicContact CB-CE1 3.7Å; A235-F265 HydrophobicContact CB-CE2 3.71Å; A235-F265 HydrophobicContact CB-CG 3.75Å; A235-F265 HydrophobicContact CB-CZ 3.72Å
236	E	95.3	Very high	96.8	Very high	146 Å²	146	42.1 Å²	42.1	68%	0.682	22%	0.223	S	C	*	.			trans	-65.5	116.6	-179.7	-171.3	58.6	-146	0	0	110.3	P234 H287	P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 3.09Å; E236-H287 PolarHBondContact O-CD2 2.73Å
237	I	96.3	Very high	96.6	Very high	12 Å²	12	44.3 Å²	44.3	6%	0.062	24%	0.238	C	C	.	.			trans	-152.6	140.7	-178	-165.1	168.6	0	0	0	109.9	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; A229-I237 HydrophobicContact CB-CD1 3.71Å; F232-I237 HydrophobicContact CD1-CD1 3.9Å; F232-I237 HydrophobicContact CD2-CB 4.29Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CE1-CD1 3.81Å; F232-I237 HydrophobicContact CE1-CG2 4.45Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.85Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; A235-I237 PolarHBondContact O-N 3.36Å; I237-L239 HydrophobicContact CB-CD1 4.45Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.59Å; I237-L239 HydrophobicContact CG2-CD1 4.09Å; I237-K267 HydrophobicContact CG2-CB 4.26Å; I237-K267 HydrophobicContact CG2-CD 3.6Å; I237-V285 HydrophobicContact CD1-CG1 3.98Å; I237-V285 HydrophobicContact CG1-CG1 4.31Å; I237-Q286 VanDerWaalsContact CG1-O 3.32Å; I237-Q286 WeakPolarHBondContact CG1-O 3.35Å; I237-H287 HydrophobicContact CD1-CB 4.14Å; I237-H287 HydrophobicContact CG1-CB 3.97Å
238	T	97.2	Very high	96.5	Very high	58 Å²	58	45.5 Å²	45.5	36%	0.356	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.1	173.6	-60	0	0	0	0	110.2	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.02Å; T238-V285 WeakPolarHBondContact O-CA 3.39Å; T238-Q286 PolarHBondContact N-O 2.94Å; T238-Q286 PolarHBondContact O-N 2.85Å
239	L	97.8	Very high	96.1	Very high	7 Å²	7	48.2 Å²	48.2	4%	0.037	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	123.6	171.8	-86.7	62.4	0	0	0	108.5	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.05Å; A229-L239 HydrophobicContact CB-CD2 4.17Å; I237-L239 HydrophobicContact CB-CD1 4.45Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.59Å; I237-L239 HydrophobicContact CG2-CD1 4.09Å; L239-L254 HydrophobicContact CB-CD1 4.16Å; L239-K267 HydrophobicContact CD1-CD 4.26Å; L239-K267 HydrophobicContact CD2-CB 4.34Å; L239-K267 HydrophobicContact CD2-CG 4.39Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; L239-H284 WeakPolarHBondContact CA-O 3.3Å; L239-V285 HydrophobicContact CD1-CG1 4.11Å; L239-V285 HydrophobicContact CG-CG2 4.34Å
240	T	97.4	Very high	95.6	Very high	39 Å²	39	57.3 Å²	57.3	24%	0.239	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	146.6	178.1	49.7	0	0	0	0	111.1	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.02Å; T240-C283 CarbonylContact O-C 3.59Å; T240-C283 WeakPolarHBondContact O-CA 3.49Å; T240-H284 PolarHBondContact N-O 3.15Å; T240-H284 PolarHBondContact O-N 3.35Å; T240-H284 WeakPolarHBondContact OG1-CB 3.36Å
241	W	98.2	Very high	95.1	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.008	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	137	170.4	-83.2	103.7	0	0	0	109.9	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.3Å; V213-W241 HydrophobicContact CG2-CH2 4.3Å; L225-W241 HydrophobicContact CB-CH2 3.67Å; L225-W241 HydrophobicContact CB-CZ2 3.81Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.02Å; L225-W241 HydrophobicContact CD1-CZ3 4.2Å; C227-W241 HydrophobicContact CB-CH2 4.49Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; W241-Q248 HydrophobicContact CB-CB 4.27Å; W241-Q248 PolarHBondContact O-N 3.08Å; W241-A269 PolarHBondContact NE1-O 2.76Å; W241-V271 HydrophobicContact CB-CG1 3.67Å; W241-V271 HydrophobicContact CB-CG2 4.44Å; W241-V271 HydrophobicContact CD2-CG1 4.3Å; W241-V271 HydrophobicContact CD2-CG2 3.6Å; W241-V271 HydrophobicContact CE3-CG2 3.98Å; W241-V271 HydrophobicContact CG-CB 4.37Å; W241-V271 HydrophobicContact CG-CG1 3.59Å; W241-V271 HydrophobicContact CG-CG2 3.83Å; W241-V271 HydrophobicContact CZ2-CG2 4.24Å; W241-V271 HydrophobicContact CZ3-CG2 4.46Å; W241-T282 WeakPolarHBondContact CA-O 3.5Å; W241-T282 VanDerWaalsContact CE3-C 3.43Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.1Å; W241-C283 HydrophobicContact CH2-CB 4.01Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 4.03Å
242	Q	97.9	Very high	95	Very high	43 Å²	43	60.5 Å²	60.5	20%	0.201	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	145.8	172	-69.1	-173.3	-6.6	0	0	110.4	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.54Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.47Å; Q242-D247 VanDerWaalsContact CG-OD1 3.23Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.48Å; Q242-D247 PolarHBondContact NE2-OD1 2.9Å; Q242-Y281 CarbonylContact O-C 3.6Å; Q242-Y281 VanDerWaalsContact O-CA 3.26Å; Q242-Y281 WeakPolarHBondContact O-CA 3.48Å; Q242-T282 PolarHBondContact N-O 3.41Å; Q242-T282 PolarHBondContact O-N 2.98Å; Q242-H284 PolarHBondContact OE1-NE2 3.39Å
243	R	97.4	Very high	95	Very high	82 Å²	82	65.9 Å²	65.9	31%	0.309	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	117.8	167.6	-170.1	-179	91.9	175.2	0.5	108.8	G245 E246 Q248 R280 Y281	R243-G245 PolarHBondContact O-N 2.89Å; R243-E246 PolarHBondContact N-O 2.82Å; R243-E246 PolarHBondContact O-N 2.87Å; R243-Q248 HydrophobicContact CB-CG 4.05Å; R243-R280 WeakPolarHBondContact CA-O 3.31Å; R243-R280 HydrophobicContact CG-CB 4.24Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 VanDerWaalsContact CD-OH 3.25Å; R243-Y281 WeakPolarHBondContact CD-OH 3.23Å; R243-Y281 HydrophobicContact CG-CD1 4.35Å; R243-Y281 HydrophobicContact CG-CD2 4.29Å; R243-Y281 HydrophobicContact CG-CE1 4.02Å; R243-Y281 HydrophobicContact CG-CE2 3.93Å; R243-Y281 HydrophobicContact CG-CG 4.49Å
244	D	95.4	Very high	95.1	Very high	99 Å²	99	70.1 Å²	70.1	53%	0.529	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	29.7	-174.9	-52.9	-51	0	0	0	114.1	R280	D244-R280 PolarHBondContact N-O 2.89Å; D244-R280 IonicContact OD1-NE 2.71Å; D244-R280 PolarHBondContact OD1-NE 2.89Å; D244-R280 IonicContact OD2-CZ 3.52Å; D244-R280 IonicContact OD2-NE 2.63Å; D244-R280 PolarHBondContact OD2-NE 3.04Å; D244-R280 IonicContact OD2-NH2 3.13Å; D244-R280 PolarHBondContact OD2-NH2 3.42Å
245	G	91.8	Very high	95.1	Very high	49 Å²	49	70.9 Å²	70.9	51%	0.505	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.5	-0.3	-177.5	0	0	0	0	0	115.6	R243	R243-G245 PolarHBondContact O-N 2.89Å
246	E	95.6	Very high	95.2	Very high	139 Å²	139	78.5 Å²	78.5	65%	0.65	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.3	175.9	-63.4	-174.1	165.7	0	0	111.7	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.54Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.47Å; R243-E246 PolarHBondContact N-O 2.82Å; R243-E246 PolarHBondContact O-N 2.87Å; E246-Q248 PolarHBondContact O-NE2 3.28Å
247	D	95.5	Very high	95.3	Very high	98 Å²	98	73.7 Å²	73.7	52%	0.524	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	135.9	-179.6	-68.5	-24.5	0	0	0	112.6	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.23Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.48Å; Q242-D247 PolarHBondContact NE2-OD1 2.9Å
248	Q	95.3	Very high	95.4	Very high	26 Å²	26	77.7 Å²	77.7	12%	0.121	40%	0.402	C	S	.	.			trans	-106.9	33.9	-177.1	-58	-60.2	-65.5	0	0	112.6	W241 R243 E246 Q250 D251 T252 V271 Y281	W241-Q248 HydrophobicContact CB-CB 4.27Å; W241-Q248 PolarHBondContact O-N 3.08Å; R243-Q248 HydrophobicContact CB-CG 4.05Å; E246-Q248 PolarHBondContact O-NE2 3.28Å; Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 2.84Å; Q248-Q250 VanDerWaalsContact O-N 3.16Å; Q248-D251 PolarHBondContact O-N 2.82Å; Q248-D251 VanDerWaalsContact O-N 3.15Å; Q248-T252 WeakPolarHBondContact O-CB 3.45Å; Q248-T252 PolarHBondContact O-N 3.42Å; Q248-T252 PolarHBondContact O-OG1 3.11Å; Q248-V271 HydrophobicContact CB-CG1 4.44Å; Q248-Y281 HydrophobicContact CG-CE1 4.4Å
249	T	89.3	Confident	95.3	Very high	105 Å²	105	79.4 Å²	79.4	64%	0.644	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-35.9	-169.1	-48.2	0	0	0	0	114.2
250	Q	89.2	Confident	95.3	Very high	191 Å²	191	81.5 Å²	81.5	89%	0.893	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-32.2	-178.7	-65.7	-173.9	8.2	0	0	113.1	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 2.84Å; Q248-Q250 VanDerWaalsContact O-N 3.16Å; Q250-T252 VanDerWaalsContact C-N 3.35Å
251	D	87.5	Confident	95.1	Very high	118 Å²	118	83.3 Å²	83.3	63%	0.631	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	1.2	-177.8	-57.5	-52.5	0	0	0	112.3	Q248	Q248-D251 PolarHBondContact O-N 2.82Å; Q248-D251 VanDerWaalsContact O-N 3.15Å
252	T	95	Very high	94.8	Very high	22 Å²	22	88.6 Å²	88.6	14%	0.135	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.5	179.4	-61.9	0	0	0	0	110.7	Q248 Q250 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 3.45Å; Q248-T252 PolarHBondContact O-N 3.42Å; Q248-T252 PolarHBondContact O-OG1 3.11Å; Q250-T252 VanDerWaalsContact C-N 3.35Å; T252-L254 HydrophobicContact CG2-CB 4.44Å; T252-L254 PolarHBondContact O-N 2.8Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; T252-A270 CarbonylContact C-O 3.54Å; T252-A270 WeakPolarHBondContact CA-O 3.43Å; T252-V271 HydrophobicContact CG2-CG1 4.34Å; T252-V271 VanDerWaalsContact OG1-CG1 3.26Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.37Å
253	E	96.7	Very high	94.4	Very high	114 Å²	114	88.6 Å²	88.6	53%	0.533	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	107.6	163.4	-173.4	-174.5	-173.5	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.22Å; E253-W268 HydrophobicContact CG-CH2 3.89Å; E253-W268 HydrophobicContact CG-CZ3 3.86Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.34Å; E253-A269 CarbonylContact O-C 3.53Å; E253-A269 WeakPolarHBondContact O-CA 3.47Å; E253-A270 HydrophobicContact CB-CB 4.43Å; E253-A270 PolarHBondContact N-O 3.25Å; E253-A270 PolarHBondContact O-N 3.28Å
254	L	96.7	Very high	94.4	Very high	91 Å²	91	85.1 Å²	85.1	48%	0.476	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	120.4	178.9	-173.8	68.9	0	0	0	110.1	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.16Å; T252-L254 HydrophobicContact CG2-CB 4.44Å; T252-L254 PolarHBondContact O-N 2.8Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; L254-A269 HydrophobicContact CD1-CB 3.62Å
255	V	96.8	Very high	94.5	Very high	33 Å²	33	81.6 Å²	81.6	20%	0.2	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-84.3	152.9	174.9	-64.9	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 VanDerWaalsContact O-CE 3.32Å; V255-K267 WeakPolarHBondContact O-CE 3.36Å; V255-K267 WeakPolarHBondContact O-CG 3.46Å; V255-K267 PolarHBondContact O-NZ 2.95Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.3Å; V255-W268 HydrophobicContact CG1-CH2 3.59Å; 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 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.42Å; V255-W268 WeakPolarHBondContact CG2-O 3.49Å; V255-W268 PolarHBondContact N-O 2.72Å
256	E	96.7	Very high	94.8	Very high	174 Å²	174	81.3 Å²	81.3	81%	0.813	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-57.8	147.5	167.4	-68.3	-176.3	173.9	0	0	111.1	R258	E256-R258 PolarHBondContact O-N 2.76Å
257	T	97.8	Very high	94.9	Very high	46 Å²	46	75.7 Å²	75.7	28%	0.282	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-67.3	129.7	174.8	-56.4	0	0	0	0	108.6	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.09Å; F232-T257 HydrophobicContact CZ-CG2 3.91Å; A235-T257 HydrophobicContact CB-CG2 4.28Å; 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 3.04Å; T257-K267 PolarHBondContact OG1-NZ 2.99Å
258	R	97.4	Very high	95.1	Very high	96 Å²	96	72.2 Å²	72.2	36%	0.362	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145	-174.7	69.1	-168.5	-179	-171.7	2.9	111.4	E256 F265 Q266	E256-R258 PolarHBondContact O-N 2.76Å; R258-F265 WeakPolarHBondContact O-CA 3.5Å; R258-Q266 HydrophobicContact CG-CG 3.59Å; R258-Q266 PolarHBondContact N-O 3.04Å; R258-Q266 WeakPolarHBondContact O-CG 3.36Å; R258-Q266 PolarHBondContact O-N 3.38Å
259	P	97.1	Very high	95.2	Very high	94 Å²	94	71 Å²	71	61%	0.61	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	144.3	178	28.5	-34.5	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CE1 4.3Å
260	A	96.3	Very high	95.6	Very high	50 Å²	50	66 Å²	66	41%	0.413	37%	0.37	S	S	.	.			trans	-87.1	-19.1	172.6	0	0	0	0	0	112.8	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.49Å; A260-T264 WeakPolarHBondContact CB-O 3.36Å; A260-T264 PolarHBondContact N-O 3.05Å
261	G	92.8	Very high	96	Very high	78 Å²	78	57.1 Å²	57.1	80%	0.804	33%	0.328	S	S	*	.	S	Bend	trans	97.7	-7.3	178.4	0	0	0	0	0	114.9
262	D	92.1	Very high	96.5	Very high	113 Å²	113	55.3 Å²	55.3	60%	0.604	32%	0.321	S	S	*	.	S	Bend	trans	-104.1	11.9	176	60.3	1	0	0	0	113	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.49Å; D262-T264 WeakPolarHBondContact OD1-CB 3.36Å; D262-T264 PolarHBondContact OD1-N 2.04Å; D262-T264 PolarHBondContact OD1-OG1 2.92Å
263	G	90.9	Very high	96.6	Very high	43 Å²	43	54.2 Å²	54.2	44%	0.443	32%	0.315	S	S	.	.	S	Bend	trans	90.7	-3.3	-173.8	0	0	0	0	0	114.1	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.45Å
264	T	96.1	Very high	96.6	Very high	8 Å²	8	51 Å²	51	5%	0.049	30%	0.304	C	S	.	.			trans	-103.1	173	174.5	74.1	0	0	0	0	112.4	E207 G231 F232 A260 D262	E207-T264 WeakPolarHBondContact OE2-CG2 3.25Å; G231-T264 WeakPolarHBondContact CA-OG1 3.15Å; F232-T264 CarbonylContact O-C 3.59Å; F232-T264 WeakPolarHBondContact O-CA 3.43Å; A260-T264 WeakPolarHBondContact CB-O 3.36Å; A260-T264 PolarHBondContact N-O 3.05Å; D262-T264 WeakPolarHBondContact OD1-CB 3.36Å; D262-T264 PolarHBondContact OD1-N 2.04Å; D262-T264 PolarHBondContact OD1-OG1 2.92Å
265	F	97.9	Very high	96.4	Very high	26 Å²	26	49.4 Å²	49.4	11%	0.114	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	163.2	-177.6	-63.8	-86.4	0	0	0	112.3	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.7Å; G231-F265 PolarHBondContact N-O 2.75Å; F232-F265 WeakPolarHBondContact CD1-O 3.03Å; F232-F265 HydrophobicContact CD2-CB 3.95Å; F232-F265 HydrophobicContact CE1-CB 4.29Å; F232-F265 WeakPolarHBondContact CE1-O 3.41Å; F232-F265 HydrophobicContact CE2-CB 3.49Å; F232-F265 VanDerWaalsContact CE2-CB 3.49Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 3.34Å; F232-F265 PolarHBondContact O-N 2.91Å; Y233-F265 HydrophobicContact CD2-CD2 4.46Å; Y233-F265 AromaticContact CD2-CE2 3.99Å; Y233-F265 HydrophobicContact CD2-CE2 3.99Å; Y233-F265 HydrophobicContact CE2-CE2 4.45Å; A235-F265 HydrophobicContact CB-CD1 3.73Å; A235-F265 HydrophobicContact CB-CD2 3.72Å; A235-F265 HydrophobicContact CB-CE1 3.7Å; A235-F265 HydrophobicContact CB-CE2 3.71Å; A235-F265 HydrophobicContact CB-CG 3.75Å; A235-F265 HydrophobicContact CB-CZ 3.72Å; 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 3.5Å; P259-F265 HydrophobicContact CB-CE1 4.3Å
266	Q	98.2	Very high	96.1	Very high	42 Å²	42	51 Å²	51	20%	0.196	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	146.1	174.5	42.4	167.2	-22.5	0	0	110.1	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.28Å; A229-Q266 WeakPolarHBondContact O-CA 3.06Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å; R258-Q266 HydrophobicContact CG-CG 3.59Å; R258-Q266 PolarHBondContact N-O 3.04Å; R258-Q266 WeakPolarHBondContact O-CG 3.36Å; R258-Q266 PolarHBondContact O-N 3.38Å
267	K	98.5	Very high	96.1	Very high	22 Å²	22	45.6 Å²	45.6	10%	0.096	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	154.4	177.4	-162.7	-176	-172.4	70	0	109	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.2Å; A229-K267 PolarHBondContact O-N 2.86Å; A229-K267 VanDerWaalsContact O-O 3.09Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.26Å; I237-K267 HydrophobicContact CG2-CD 3.6Å; L239-K267 HydrophobicContact CD1-CD 4.26Å; L239-K267 HydrophobicContact CD2-CB 4.34Å; L239-K267 HydrophobicContact CD2-CG 4.39Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 VanDerWaalsContact O-CE 3.32Å; V255-K267 WeakPolarHBondContact O-CE 3.36Å; V255-K267 WeakPolarHBondContact O-CG 3.46Å; V255-K267 PolarHBondContact O-NZ 2.95Å; T257-K267 WeakPolarHBondContact OG1-CD 3.04Å; T257-K267 PolarHBondContact OG1-NZ 2.99Å
268	W	98.3	Very high	95.9	Very high	24 Å²	24	44.3 Å²	44.3	9%	0.091	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	156.8	169	59.7	-99.1	0	0	0	111.6	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 3.99Å; R226-W268 HydrophobicContact CG-CD2 4.08Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.18Å; C227-W268 CarbonylContact O-C 3.59Å; C227-W268 WeakPolarHBondContact O-CA 3.24Å; C227-W268 WeakPolarHBondContact O-CB 3.36Å; W228-W268 HydrophobicContact CD2-CB 3.95Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.88Å; W228-W268 HydrophobicContact CE3-CG 4.19Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.62Å; W228-W268 HydrophobicContact CH2-CG 4.27Å; W228-W268 HydrophobicContact CZ3-CB 4.3Å; W228-W268 AromaticContact CZ3-CD1 3.4Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.4Å; W228-W268 HydrophobicContact CZ3-CG 4.11Å; E253-W268 HydrophobicContact CB-CZ3 4.22Å; E253-W268 HydrophobicContact CG-CH2 3.89Å; E253-W268 HydrophobicContact CG-CZ3 3.86Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.34Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.3Å; V255-W268 HydrophobicContact CG1-CH2 3.59Å; 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 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.42Å; V255-W268 WeakPolarHBondContact CG2-O 3.49Å; V255-W268 PolarHBondContact N-O 2.72Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.63Å
269	A	98.3	Very high	95.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.6	174	0	0	0	0	0	108.6	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.44Å; C227-A269 PolarHBondContact N-O 3.27Å; C227-A269 PolarHBondContact O-N 3.04Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; W241-A269 PolarHBondContact NE1-O 2.76Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; E253-A269 CarbonylContact O-C 3.53Å; E253-A269 WeakPolarHBondContact O-CA 3.47Å; L254-A269 HydrophobicContact CD1-CB 3.62Å
270	A	98	Very high	95.8	Very high	2 Å²	2	43.7 Å²	43.7	2%	0.017	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145.5	-179.7	0	0	0	0	0	112.4	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.92Å; L225-A270 CarbonylContact O-C 3.52Å; L225-A270 WeakPolarHBondContact O-CA 3.46Å; R226-A270 HydrophobicContact CB-CB 4Å; R226-A270 HydrophobicContact CG-CB 4.15Å; T252-A270 CarbonylContact C-O 3.54Å; T252-A270 WeakPolarHBondContact CA-O 3.43Å; E253-A270 HydrophobicContact CB-CB 4.43Å; E253-A270 PolarHBondContact N-O 3.25Å; E253-A270 PolarHBondContact O-N 3.28Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.63Å
271	V	97.9	Very high	95.9	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.024	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	144.2	174.5	-72.9	0	0	0	0	109.5	T224 L225 W241 Q248 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.21Å; L225-V271 HydrophobicContact CB-CG2 4.18Å; L225-V271 PolarHBondContact N-O 3.32Å; L225-V271 PolarHBondContact O-N 2.88Å; W241-V271 HydrophobicContact CB-CG1 3.67Å; W241-V271 HydrophobicContact CB-CG2 4.44Å; W241-V271 HydrophobicContact CD2-CG1 4.3Å; W241-V271 HydrophobicContact CD2-CG2 3.6Å; W241-V271 HydrophobicContact CE3-CG2 3.98Å; W241-V271 HydrophobicContact CG-CB 4.37Å; W241-V271 HydrophobicContact CG-CG1 3.59Å; W241-V271 HydrophobicContact CG-CG2 3.83Å; W241-V271 HydrophobicContact CZ2-CG2 4.24Å; W241-V271 HydrophobicContact CZ3-CG2 4.46Å; Q248-V271 HydrophobicContact CB-CG1 4.44Å; T252-V271 HydrophobicContact CG2-CG1 4.34Å; T252-V271 VanDerWaalsContact OG1-CG1 3.26Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.37Å; V271-V273 HydrophobicContact CB-CG1 4.41Å; V271-V273 HydrophobicContact CG2-CG1 3.8Å; V271-Y281 HydrophobicContact CG2-CD1 4.05Å; V271-Y281 HydrophobicContact CG2-CE1 4.48Å
272	V	97.4	Very high	96.1	Very high	79 Å²	79	38.6 Å²	38.6	48%	0.479	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	129.4	168.5	-178.1	0	0	0	0	107.9	E222 A223	E222-V272 HydrophobicContact CB-CG1 4.09Å; E222-V272 HydrophobicContact CG-CG1 4.3Å; A223-V272 WeakPolarHBondContact O-CA 3.49Å
273	V	96.6	Very high	96.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144	-175.6	-52.5	0	0	0	0	110.4	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.45Å; A223-V273 HydrophobicContact CB-CG2 4.45Å; A223-V273 PolarHBondContact N-O 3.48Å; A223-V273 WeakPolarHBondContact O-CG2 3.46Å; A223-V273 PolarHBondContact O-N 2.89Å; L225-V273 HydrophobicContact CD1-CG1 4.02Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.17Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; V271-V273 HydrophobicContact CB-CG1 4.41Å; V271-V273 HydrophobicContact CG2-CG1 3.8Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; V273-Y281 HydrophobicContact CB-CD2 4.03Å; V273-Y281 HydrophobicContact CB-CE2 3.73Å; V273-Y281 HydrophobicContact CG1-CD1 3.72Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.65Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å
274	P	96.4	Very high	96.7	Very high	47 Å²	47	32.8 Å²	32.8	31%	0.305	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	140.9	170.6	-20.2	32.3	0	0	0	111.2	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.32Å; P274-G276 PolarHBondContact O-N 2.99Å; P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 HydrophobicContact CG-CG 4.49Å; P274-E277 WeakPolarHBondContact O-CB 3.22Å; P274-E277 PolarHBondContact O-N 3.41Å
275	S	92.6	Very high	96.8	Very high	56 Å²	56	32.4 Å²	32.4	39%	0.392	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	128.7	176.3	-62.9	0	0	0	0	111.2	H221 E222 E278	H221-S275 PolarHBondContact O-N 2.82Å; H221-S275 PolarHBondContact O-OG 2.99Å; E222-S275 PolarHBondContact N-OG 2.79Å; S275-E278 WeakPolarHBondContact CA-OE1 3.24Å
276	G	91.6	Very high	96.8	Very high	67 Å²	67	35.5 Å²	35.5	69%	0.691	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.1	-8.2	-176.3	0	0	0	0	0	114.7	P274 E278	P274-G276 PolarHBondContact O-N 2.99Å; G276-E278 WeakPolarHBondContact CA-OE2 3.4Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 2.81Å; G276-E278 PolarHBondContact N-OE2 3.22Å
277	E	95.4	Very high	96.6	Very high	60 Å²	60	33.7 Å²	33.7	28%	0.28	19%	0.187	S	C	.	.			trans	-99.2	3.4	175.9	-65.1	-162.7	-166.7	0	0	113.4	P274 Q279 R280 Y281	P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 HydrophobicContact CG-CG 4.49Å; P274-E277 WeakPolarHBondContact O-CB 3.22Å; P274-E277 PolarHBondContact O-N 3.41Å; E277-Q279 PolarHBondContact O-N 2.94Å; E277-R280 VanDerWaalsContact CD-NH1 3.26Å; E277-R280 WeakPolarHBondContact O-CB 3.28Å; E277-R280 PolarHBondContact O-N 3.41Å; E277-R280 IonicContact OE1-NH1 2.65Å; E277-R280 IonicContact OE2-CZ 3.99Å; E277-R280 IonicContact OE2-NH1 3.62Å; E277-R280 PolarHBondContact OE2-NH1 3.37Å; E277-Y281 HydrophobicContact CB-CE2 4.38Å; E277-Y281 WeakPolarHBondContact O-CD2 3.4Å
278	E	94.9	Very high	96.3	Very high	19 Å²	19	36 Å²	36	9%	0.089	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-57.3	-32.8	-170.8	-57.7	81.9	-179.8	0	0	112.7	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.56Å; L225-E278 HydrophobicContact CD1-CB 4.12Å; L225-E278 HydrophobicContact CD2-CG 4.37Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; S275-E278 WeakPolarHBondContact CA-OE1 3.24Å; G276-E278 WeakPolarHBondContact CA-OE2 3.4Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 2.81Å; G276-E278 PolarHBondContact N-OE2 3.22Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 3.39Å; E278-Y281 PolarHBondContact O-N 3.11Å; E278-W298 HydrophobicContact CB-CD2 4.46Å; E278-W298 HydrophobicContact CB-CE3 3.42Å; E278-W298 VanDerWaalsContact CB-CE3 3.42Å; E278-W298 HydrophobicContact CB-CZ3 3.8Å; E278-W298 HydrophobicContact CG-CE3 3.75Å; E278-W298 HydrophobicContact CG-CZ3 3.75Å
279	Q	95.2	Very high	95.9	Very high	86 Å²	86	35.4 Å²	35.4	40%	0.402	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-73.6	-14.6	-179.5	-63.4	-57.5	-46.5	0	0	114.2	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 2.94Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å; Q279-W298 PolarHBondContact NE2-O 3.21Å
280	R	96.8	Very high	95.7	Very high	92 Å²	92	35.9 Å²	35.9	35%	0.347	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-77.3	-16.7	172.9	-62.8	174.1	67.2	-177.7	7.4	112.1	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.31Å; R243-R280 HydrophobicContact CG-CB 4.24Å; D244-R280 PolarHBondContact N-O 2.89Å; D244-R280 IonicContact OD1-NE 2.71Å; D244-R280 PolarHBondContact OD1-NE 2.89Å; D244-R280 IonicContact OD2-CZ 3.52Å; D244-R280 IonicContact OD2-NE 2.63Å; D244-R280 PolarHBondContact OD2-NE 3.04Å; D244-R280 IonicContact OD2-NH2 3.13Å; D244-R280 PolarHBondContact OD2-NH2 3.42Å; E277-R280 VanDerWaalsContact CD-NH1 3.26Å; E277-R280 WeakPolarHBondContact O-CB 3.28Å; E277-R280 PolarHBondContact O-N 3.41Å; E277-R280 IonicContact OE1-NH1 2.65Å; E277-R280 IonicContact OE2-CZ 3.99Å; E277-R280 IonicContact OE2-NH1 3.62Å; E277-R280 PolarHBondContact OE2-NH1 3.37Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 3.39Å
281	Y	97.6	Very high	95.4	Very high	10 Å²	10	41.6 Å²	41.6	4%	0.039	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.4	-177.6	-69.4	-100.3	0	0	0	111	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.6Å; Q242-Y281 VanDerWaalsContact O-CA 3.26Å; Q242-Y281 WeakPolarHBondContact O-CA 3.48Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 VanDerWaalsContact CD-OH 3.25Å; R243-Y281 WeakPolarHBondContact CD-OH 3.23Å; R243-Y281 HydrophobicContact CG-CD1 4.35Å; R243-Y281 HydrophobicContact CG-CD2 4.29Å; R243-Y281 HydrophobicContact CG-CE1 4.02Å; R243-Y281 HydrophobicContact CG-CE2 3.93Å; R243-Y281 HydrophobicContact CG-CG 4.49Å; Q248-Y281 HydrophobicContact CG-CE1 4.4Å; V271-Y281 HydrophobicContact CG2-CD1 4.05Å; V271-Y281 HydrophobicContact CG2-CE1 4.48Å; V273-Y281 HydrophobicContact CB-CD2 4.03Å; V273-Y281 HydrophobicContact CB-CE2 3.73Å; V273-Y281 HydrophobicContact CG1-CD1 3.72Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.65Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å; E277-Y281 HydrophobicContact CB-CE2 4.38Å; E277-Y281 WeakPolarHBondContact O-CD2 3.4Å; E278-Y281 PolarHBondContact O-N 3.11Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å
282	T	98	Very high	95.1	Very high	11 Å²	11	48.4 Å²	48.4	7%	0.067	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	133.5	176.5	47	0	0	0	0	110.5	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.5Å; W241-T282 VanDerWaalsContact CE3-C 3.43Å; Q242-T282 PolarHBondContact N-O 3.41Å; Q242-T282 PolarHBondContact O-N 2.98Å; T282-H284 PolarHBondContact OG1-NE2 3Å; T282-T295 HydrophobicContact CG2-CG2 3.98Å; T282-L296 CarbonylContact C-O 3.58Å; T282-L296 WeakPolarHBondContact CA-O 3.37Å; T282-R297 HydrophobicContact CG2-CG 3.56Å
283	C	98.1	Very high	95	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	128.3	170.8	174.5	0	0	0	0	109.6	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.07Å; C227-C283 WeakPolarHBondContact SG-CB 3.22Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.9Å; T240-C283 CarbonylContact O-C 3.59Å; T240-C283 WeakPolarHBondContact O-CA 3.49Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.1Å; W241-C283 HydrophobicContact CH2-CB 4.01Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 4.03Å; C283-T295 CarbonylContact O-C 3.52Å; C283-T295 WeakPolarHBondContact O-CA 3.38Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 3.39Å; C283-L296 PolarHBondContact O-N 3.2Å
284	H	97.8	Very high	95	Very high	34 Å²	34	50.3 Å²	50.3	16%	0.157	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.8	177	-63.3	-102.1	0	0	0	109.8	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.3Å; T240-H284 PolarHBondContact N-O 3.15Å; T240-H284 PolarHBondContact O-N 3.35Å; T240-H284 WeakPolarHBondContact OG1-CB 3.36Å; Q242-H284 PolarHBondContact OE1-NE2 3.39Å; T282-H284 PolarHBondContact OG1-NE2 3Å; H284-L294 CarbonylContact C-O 3.48Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.17Å; H284-T295 PolarHBondContact CE1-OG1 2.79Å; H284-T295 PolarHBondContact ND1-OG1 3.36Å
285	V	97.9	Very high	95	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	121.5	-178.1	-174.4	0	0	0	0	109.4	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.95Å; T211-V285 HydrophobicContact CG2-CB 4.45Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.07Å; I237-V285 HydrophobicContact CD1-CG1 3.98Å; I237-V285 HydrophobicContact CG1-CG1 4.31Å; T238-V285 WeakPolarHBondContact O-CA 3.39Å; L239-V285 HydrophobicContact CD1-CG1 4.11Å; L239-V285 HydrophobicContact CG-CG2 4.34Å; V285-L290 HydrophobicContact CG1-CD1 4.23Å; V285-P293 WeakPolarHBondContact O-CA 3.48Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.36Å; V285-L294 PolarHBondContact O-N 3.35Å; V285-L296 HydrophobicContact CG2-CD1 3.98Å
286	Q	96.9	Very high	95.2	Very high	91 Å²	91	51.1 Å²	51.1	43%	0.425	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.3	173.6	-56.3	177.3	13.6	0	0	109	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.32Å; I237-Q286 WeakPolarHBondContact CG1-O 3.35Å; T238-Q286 PolarHBondContact N-O 2.94Å; T238-Q286 PolarHBondContact O-N 2.85Å; Q286-P293 HydrophobicContact CG-CB 3.97Å; Q286-P293 HydrophobicContact CG-CG 4.07Å
287	H	95.2	Very high	95.4	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.019	27%	0.274	C	S	.	.			trans	-158.4	137.4	-176.5	-179.9	-95.5	0	0	0	108.9	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 WeakPolarHBondContact CH2-O 3.4Å; E207-H287 PolarHBondContact O-CE1 3.04Å; E207-H287 VanDerWaalsContact O-CE1 3.29Å; P209-H287 HydrophobicContact CG-CB 4.06Å; F232-H287 AromaticContact CD2-CD2 3.76Å; F232-H287 AromaticContact CD2-NE2 3.73Å; Y233-H287 PolarHBondContact O-CE1 3.23Å; P234-H287 PolarHBondContact O-NE2 3.32Å; E236-H287 PolarHBondContact O-CD2 2.73Å; I237-H287 HydrophobicContact CD1-CB 4.14Å; I237-H287 HydrophobicContact CG1-CB 3.97Å; H287-G289 PolarHBondContact CE1-N 3.08Å; H287-G289 PolarHBondContact ND1-N 3.06Å; H287-G289 PolarHBondContact O-N 3.19Å; H287-L290 HydrophobicContact CB-CD1 4.04Å; H287-L290 HydrophobicContact CB-CG 4.31Å; H287-L290 WeakPolarHBondContact O-CB 3.33Å; H287-L290 PolarHBondContact O-N 3.39Å
288	E	91.1	Very high	95.5	Very high	69 Å²	69	54.1 Å²	54.1	32%	0.322	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-13.7	-173.9	68.5	148.9	-149.3	0	0	115.9	W23 A206 P234	W23-E288 HydrophobicContact CE3-CB 4.14Å; W23-E288 VanDerWaalsContact CE3-O 3.3Å; W23-E288 VanDerWaalsContact CH2-CA 3.41Å; W23-E288 HydrophobicContact CZ3-CB 4.23Å; W23-E288 WeakPolarHBondContact CZ3-O 3.44Å; A206-E288 HydrophobicContact CB-CG 4.31Å; P234-E288 VanDerWaalsContact CD-CG 3.43Å; P234-E288 WeakPolarHBondContact CD-OE1 3.17Å; P234-E288 VanDerWaalsContact CG-CD 3.43Å; P234-E288 HydrophobicContact CG-CG 3.6Å; P234-E288 VanDerWaalsContact CG-OE1 3.26Å; P234-E288 WeakPolarHBondContact CG-OE1 3.45Å
289	G	90.6	Very high	95.2	Very high	12 Å²	12	61.1 Å²	61.1	12%	0.124	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-46.5	168.4	0	0	0	0	0	110.7	H208 H287	H208-G289 PolarHBondContact CE1-O 3.45Å; H208-G289 PolarHBondContact ND1-O 3.05Å; H287-G289 PolarHBondContact CE1-N 3.08Å; H287-G289 PolarHBondContact ND1-N 3.06Å; H287-G289 PolarHBondContact O-N 3.19Å
290	L	93.3	Very high	94.5	Very high	10 Å²	10	60.8 Å²	60.8	5%	0.052	31%	0.307	C	S	.	.			trans	-70	125.9	-165.6	-65.2	168.2	0	0	0	113.2	W23 H208 P209 V285 H287 E292 L294	W23-L290 HydrophobicContact CH2-CB 4.47Å; W23-L290 WeakPolarHBondContact CH2-O 3.44Å; W23-L290 WeakPolarHBondContact CZ3-O 3.44Å; H208-L290 HydrophobicContact CB-CD2 4.09Å; H208-L290 WeakPolarHBondContact ND1-CA 3.41Å; H208-L290 PolarHBondContact ND1-N 2.91Å; P209-L290 HydrophobicContact CG-CD1 3.86Å; P209-L290 HydrophobicContact CG-CD2 4.46Å; P209-L290 HydrophobicContact CG-CG 4.23Å; V285-L290 HydrophobicContact CG1-CD1 4.23Å; H287-L290 HydrophobicContact CB-CD1 4.04Å; H287-L290 HydrophobicContact CB-CG 4.31Å; H287-L290 WeakPolarHBondContact O-CB 3.33Å; H287-L290 PolarHBondContact O-N 3.39Å; L290-E292 WeakPolarHBondContact CB-O 3.36Å; L290-E292 PolarHBondContact O-N 2.95Å; L290-E292 VanDerWaalsContact O-N 3.14Å; L290-L294 HydrophobicContact CD1-CD1 3.96Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.64Å; L290-L294 HydrophobicContact CD2-CD2 4.41Å; L290-L294 HydrophobicContact CD2-CG 3.87Å; L290-L294 HydrophobicContact CG-CD1 4.47Å; L290-L294 HydrophobicContact CG-CG 4.46Å
291	P	91.1	Very high	93	Very high	122 Å²	122	61.5 Å²	61.5	79%	0.792	33%	0.326	S	S	*	.	S	Bend	trans	-61.5	-30.2	177.1	26.6	-35.1	0	0	0	112.7
292	E	92.3	Very high	90.7	Very high	148 Å²	148	66.4 Å²	66.4	69%	0.692	36%	0.361	S	S	*	.	S	Bend	trans	-140.8	150.2	174.5	-65.7	-177.2	177.3	0	0	109.7	L290 L294	L290-E292 WeakPolarHBondContact CB-O 3.36Å; L290-E292 PolarHBondContact O-N 2.95Å; L290-E292 VanDerWaalsContact O-N 3.14Å; E292-L294 PolarHBondContact O-N 2.98Å
293	P	94.9	Very high	88.2	Confident	59 Å²	59	73.7 Å²	73.7	38%	0.383	40%	0.395	S	S	.	.			trans	-54.1	135.3	173.6	-27.3	36.2	0	0	0	112.6	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.48Å; Q286-P293 HydrophobicContact CG-CB 3.97Å; Q286-P293 HydrophobicContact CG-CG 4.07Å
294	L	96.6	Very high	85.7	Confident	60 Å²	60	78.3 Å²	78.3	31%	0.314	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	140.2	175.3	-63.6	177.2	0	0	0	110.5	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.4Å; H284-L294 CarbonylContact C-O 3.48Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.17Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.36Å; V285-L294 PolarHBondContact O-N 3.35Å; L290-L294 HydrophobicContact CD1-CD1 3.96Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.64Å; L290-L294 HydrophobicContact CD2-CD2 4.41Å; L290-L294 HydrophobicContact CD2-CG 3.87Å; L290-L294 HydrophobicContact CG-CD1 4.47Å; L290-L294 HydrophobicContact CG-CG 4.46Å; E292-L294 PolarHBondContact O-N 2.98Å
295	T	97.6	Very high	83.5	Confident	83 Å²	83	83.2 Å²	83.2	51%	0.509	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	119.2	170.1	-56.5	0	0	0	0	108.8	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.98Å; C283-T295 CarbonylContact O-C 3.52Å; C283-T295 WeakPolarHBondContact O-CA 3.38Å; H284-T295 PolarHBondContact CE1-OG1 2.79Å; H284-T295 PolarHBondContact ND1-OG1 3.36Å
296	L	96.9	Very high	81.5	Confident	36 Å²	36	87.9 Å²	87.9	19%	0.188	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	143.7	-174.3	-61	154.7	0	0	0	109.9	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.42Å; T211-L296 HydrophobicContact CG2-CD1 4.15Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.31Å; V213-L296 HydrophobicContact CG2-CB 3.93Å; T282-L296 CarbonylContact C-O 3.58Å; T282-L296 WeakPolarHBondContact CA-O 3.37Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 3.39Å; C283-L296 PolarHBondContact O-N 3.2Å; V285-L296 HydrophobicContact CG2-CD1 3.98Å
297	R	96	Very high	79.6	Confident	144 Å²	144	87.7 Å²	87.7	54%	0.543	49%	0.488	S	S	.	.			trans	-119.4	161.5	167.1	-70.2	-175.9	177.3	171.2	-1.4	109.1	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.56Å; R297-E299 PolarHBondContact O-N 3.22Å
298	W	95.8	Very high	78	Confident	46 Å²	46	93.1 Å²	93.1	17%	0.174	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-69.3	122.6	168.2	170.7	56.8	0	0	0	110	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.43Å; V213-W298 HydrophobicContact CG1-CB 3.82Å; H215-W298 HydrophobicContact CB-CD2 4.1Å; H215-W298 HydrophobicContact CB-CG 4.16Å; H215-W298 HydrophobicContact CB-CZ2 4Å; H215-W298 VanDerWaalsContact CB-NE1 3.28Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.78Å; H215-W298 AromaticContact ND1-CZ2 3.93Å; L225-W298 HydrophobicContact CD1-CB 4.42Å; L225-W298 HydrophobicContact CD2-CB 3.84Å; L225-W298 HydrophobicContact CD2-CD2 4.36Å; L225-W298 HydrophobicContact CD2-CG 3.96Å; E278-W298 HydrophobicContact CB-CD2 4.46Å; E278-W298 HydrophobicContact CB-CE3 3.42Å; E278-W298 VanDerWaalsContact CB-CE3 3.42Å; E278-W298 HydrophobicContact CB-CZ3 3.8Å; E278-W298 HydrophobicContact CG-CE3 3.75Å; E278-W298 HydrophobicContact CG-CZ3 3.75Å; Q279-W298 PolarHBondContact NE2-O 3.21Å; W298-P300 HydrophobicContact CE3-CG 4.44Å; W298-P300 HydrophobicContact CH2-CB 4.34Å; W298-P300 HydrophobicContact CH2-CG 3.92Å; W298-P300 HydrophobicContact CZ2-CB 4.07Å; W298-P300 HydrophobicContact CZ2-CG 4Å; W298-P300 HydrophobicContact CZ3-CG 4.13Å
299	E	89.4	Confident	76.6	Confident	166 Å²	166	95.7 Å²	95.7	78%	0.776	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-102.1	119.4	169.7	-70.3	-176.4	175.4	0	0	109.1	R297 S301	R297-E299 PolarHBondContact O-N 3.22Å; E299-S301 PolarHBondContact O-N 3.27Å
300	P	81.4	Confident	75.5	Confident	80 Å²	80	97.3 Å²	97.3	52%	0.519	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-57.6	129.3	170.4	-20.1	30.7	0	0	0	108.9	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.44Å; W298-P300 HydrophobicContact CH2-CB 4.34Å; W298-P300 HydrophobicContact CH2-CG 3.92Å; W298-P300 HydrophobicContact CZ2-CB 4.07Å; W298-P300 HydrophobicContact CZ2-CG 4Å; W298-P300 HydrophobicContact CZ3-CG 4.13Å; P300-S302 PolarHBondContact O-N 3.11Å
301	S	65.4	Low	74.5	Confident	106 Å²	106	101.4 Å²	101.4	74%	0.741	57%	0.573	S	S	*	*			trans	-59.3	113.6	-177.3	69.3	0	0	0	0	110	E299 Q303	E299-S301 PolarHBondContact O-N 3.27Å; S301-Q303 PolarHBondContact O-N 3.05Å
302	S	49.3	Very low	73.8	Confident	113 Å²	113	99.9 Å²	99.9	79%	0.79	56%	0.562	S	S	*	*			trans	-81.2	63.8	167.3	48.9	0	0	0	0	108	P300 P304	P300-S302 PolarHBondContact O-N 3.11Å; S302-P304 WeakPolarHBondContact O-CD 3.33Å
303	Q	45.3	Very low	72.9	Confident	164 Å²	164	95.4 Å²	95.4	77%	0.766	55%	0.55	S	S	*	.			trans	-75.8	103	153.1	-84.2	-170.1	-16.7	0	0	105.8	S301 T305	S301-Q303 PolarHBondContact O-N 3.05Å; Q303-T305 PolarHBondContact O-N 3.32Å
304	P	45.2	Very low	72.3	Confident	98 Å²	98	94.1 Å²	94.1	64%	0.636	55%	0.548	S	S	*	.			trans	-57.5	118.3	162.3	25.7	-31.1	0	0	0	105	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.33Å; P304-I306 HydrophobicContact CB-CG1 4.07Å; P304-I306 HydrophobicContact CG-CD1 4.46Å; P304-I306 HydrophobicContact CG-CG1 4.07Å; P304-I306 PolarHBondContact O-N 2.86Å
305	T	50.9	Low	71.7	Confident	136 Å²	136	96.5 Å²	96.5	83%	0.834	56%	0.56	S	S	*	*			trans	-64.7	76.7	158.2	-40.5	0	0	0	0	105.2	Q303 P307	Q303-T305 PolarHBondContact O-N 3.32Å; T305-P307 VanDerWaalsContact O-CD 3.23Å; T305-P307 WeakPolarHBondContact O-CD 3.48Å
306	I	55.8	Low	71	Confident	99 Å²	99	95.1 Å²	95.1	51%	0.508	56%	0.557	S	S	.	*			trans	-55.7	118	167	-62	176.8	0	0	0	102.7	P304 I308 I311	P304-I306 HydrophobicContact CB-CG1 4.07Å; P304-I306 HydrophobicContact CG-CD1 4.46Å; P304-I306 HydrophobicContact CG-CG1 4.07Å; P304-I306 PolarHBondContact O-N 2.86Å; I306-I308 HydrophobicContact CG2-CG1 4.36Å; I306-I308 PolarHBondContact O-N 2.86Å; I306-I311 HydrophobicContact CG2-CD1 4.02Å
307	P	58.3	Low	70.4	Confident	87 Å²	87	97.7 Å²	97.7	57%	0.565	57%	0.574	S	S	*	*			trans	-73.9	79	-178.1	30.2	-32.1	0	0	0	106.7	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-CD 3.23Å; T305-P307 WeakPolarHBondContact O-CD 3.48Å; P307-V309 PolarHBondContact O-N 3.45Å; P307-V309 VanDerWaalsContact O-N 3.14Å; P307-G310 WeakPolarHBondContact O-CA 3.32Å; P307-G310 PolarHBondContact O-N 3.29Å; P307-I311 PolarHBondContact O-N 3.48Å
308	I	61	Low	69.9	Low	118 Å²	118	96.3 Å²	96.3	61%	0.605	58%	0.577	S	S	*	*	H	α-helix	trans	-54.1	-34.7	176.9	-65.8	169.6	0	0	0	108.6	I306 G310 I311 V312	I306-I308 HydrophobicContact CG2-CG1 4.36Å; I306-I308 PolarHBondContact O-N 2.86Å; I308-G310 PolarHBondContact O-N 3.42Å; I308-I311 PolarHBondContact O-N 3.01Å; I308-V312 HydrophobicContact CG2-CG2 4.3Å; I308-V312 WeakPolarHBondContact O-CB 3.34Å; I308-V312 VanDerWaalsContact O-CG2 3.23Å; I308-V312 WeakPolarHBondContact O-CG2 3.12Å; I308-V312 PolarHBondContact O-N 2.83Å
309	V	61.3	Low	69.4	Low	123 Å²	123	96.9 Å²	96.9	75%	0.745	59%	0.591	S	S	*	*	H	α-helix	trans	-60.7	-40.7	173.2	-178.6	0	0	0	0	112.5	P307 A313	P307-V309 PolarHBondContact O-N 3.45Å; P307-V309 VanDerWaalsContact O-N 3.14Å; V309-A313 VanDerWaalsContact O-CB 3.24Å; V309-A313 WeakPolarHBondContact O-CB 3.3Å; V309-A313 PolarHBondContact O-N 2.83Å
310	G	67	Low	69.2	Low	45 Å²	45	93 Å²	93	46%	0.464	58%	0.579	S	S	.	*	H	α-helix	trans	-69.7	-38.2	179.4	0	0	0	0	0	113	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.32Å; P307-G310 PolarHBondContact O-N 3.29Å; I308-G310 PolarHBondContact O-N 3.42Å; G310-G314 PolarHBondContact O-N 3.08Å
311	I	73.3	Confident	69.4	Low	96 Å²	96	94.2 Å²	94.2	49%	0.492	58%	0.58	S	S	.	*	H	α-helix	trans	-69.5	-44.1	176.7	-61.5	174.1	0	0	0	110.4	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 4.02Å; P307-I311 PolarHBondContact O-N 3.48Å; I308-I311 PolarHBondContact O-N 3.01Å; I311-G314 PolarHBondContact O-N 3.22Å; I311-L315 HydrophobicContact CG2-CD1 4.01Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.2Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 3.23Å
312	V	75.4	Confident	70.2	Confident	91 Å²	91	92.3 Å²	92.3	55%	0.552	57%	0.571	S	S	*	*	H	α-helix	trans	-65.2	-42.7	178.1	173.2	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.3Å; I308-V312 WeakPolarHBondContact O-CB 3.34Å; I308-V312 VanDerWaalsContact O-CG2 3.23Å; I308-V312 WeakPolarHBondContact O-CG2 3.12Å; I308-V312 PolarHBondContact O-N 2.83Å; V312-L315 PolarHBondContact O-N 3.1Å; V312-A316 WeakPolarHBondContact O-CB 3.32Å; V312-A316 PolarHBondContact O-N 3.4Å
313	A	75.1	Confident	71.8	Confident	53 Å²	53	91.3 Å²	91.3	44%	0.438	56%	0.56	S	S	.	*	H	α-helix	trans	-62.9	-43.5	174.9	0	0	0	0	0	111.8	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.24Å; V309-A313 WeakPolarHBondContact O-CB 3.3Å; V309-A313 PolarHBondContact O-N 2.83Å; A313-A316 PolarHBondContact O-N 3.33Å; A313-V317 VanDerWaalsContact O-CG2 3.32Å; A313-V317 WeakPolarHBondContact O-CG2 3.39Å; A313-V317 PolarHBondContact O-N 2.7Å
314	G	80.8	Confident	73.6	Confident	33 Å²	33	88.3 Å²	88.3	34%	0.34	55%	0.549	S	S	.	.	H	α-helix	trans	-61.6	-44	177	0	0	0	0	0	113.1	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.08Å; I311-G314 PolarHBondContact O-N 3.22Å; G314-V317 PolarHBondContact O-N 3.03Å; G314-L318 PolarHBondContact O-N 3.43Å
315	L	85	Confident	75.3	Confident	109 Å²	109	85.7 Å²	85.7	57%	0.571	54%	0.539	S	S	*	.	H	α-helix	trans	-67	-38.6	177.2	-72.3	172.4	0	0	0	112.4	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.01Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.2Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 3.23Å; V312-L315 PolarHBondContact O-N 3.1Å; L315-L318 PolarHBondContact O-N 3.5Å; L315-A319 WeakPolarHBondContact O-CB 3.19Å; L315-A319 PolarHBondContact O-N 2.98Å
316	A	82.8	Confident	76.7	Confident	55 Å²	55	81.9 Å²	81.9	46%	0.455	52%	0.522	S	S	.	.	H	α-helix	trans	-63.3	-42.9	175.7	0	0	0	0	0	111.7	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.32Å; V312-A316 PolarHBondContact O-N 3.4Å; A313-A316 PolarHBondContact O-N 3.33Å; A316-A319 PolarHBondContact O-N 3.5Å; A316-V320 WeakPolarHBondContact O-CG2 3.35Å; A316-V320 PolarHBondContact O-N 3.11Å
317	V	85	Confident	77.8	Confident	89 Å²	89	80.9 Å²	80.9	54%	0.539	52%	0.52	S	S	.	.	H	α-helix	trans	-63.6	-44.4	176.5	172.8	0	0	0	0	111.1	A313 G314 A319 V320 L321	A313-V317 VanDerWaalsContact O-CG2 3.32Å; A313-V317 WeakPolarHBondContact O-CG2 3.39Å; A313-V317 PolarHBondContact O-N 2.7Å; G314-V317 PolarHBondContact O-N 3.03Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.45Å; V317-V320 PolarHBondContact O-N 3.48Å; V317-L321 HydrophobicContact CG1-CD1 4.01Å; V317-L321 HydrophobicContact CG1-CG 4.44Å; V317-L321 WeakPolarHBondContact O-CG 3.38Å; V317-L321 PolarHBondContact O-N 2.95Å
318	L	85.1	Confident	78.6	Confident	116 Å²	116	82.3 Å²	82.3	61%	0.607	52%	0.521	S	S	*	.	H	α-helix	trans	-61.3	-41.2	176.6	-81.2	166.4	0	0	0	112.4	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 3.43Å; L315-L318 PolarHBondContact O-N 3.5Å; L318-L321 PolarHBondContact O-N 2.75Å; L318-A322 WeakPolarHBondContact O-CB 3.46Å; L318-A322 PolarHBondContact O-N 3.33Å
319	A	84.9	Confident	79.2	Confident	57 Å²	57	79.2 Å²	79.2	47%	0.471	51%	0.513	S	S	.	.	H	α-helix	trans	-63.4	-43.6	176.4	0	0	0	0	0	111.9	L315 A316 V317 L321 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.19Å; L315-A319 PolarHBondContact O-N 2.98Å; A316-A319 PolarHBondContact O-N 3.5Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.45Å; A319-L321 PolarHBondContact O-N 2.88Å; A319-A322 PolarHBondContact O-N 2.94Å; A319-V323 WeakPolarHBondContact O-CG2 3.45Å; A319-V323 PolarHBondContact O-N 2.98Å
320	V	85.1	Confident	79.8	Confident	86 Å²	86	77.3 Å²	77.3	52%	0.521	50%	0.501	S	S	.	.	H	α-helix	trans	-62.4	-44	176.5	171.9	0	0	0	0	111.2	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.35Å; A316-V320 PolarHBondContact O-N 3.11Å; V317-V320 PolarHBondContact O-N 3.48Å; V320-A322 PolarHBondContact O-N 2.97Å; V320-V323 PolarHBondContact O-N 3.13Å; V320-L324 HydrophobicContact CG1-CD1 3.95Å; V320-L324 HydrophobicContact CG1-CG 4.49Å; V320-L324 WeakPolarHBondContact O-CG 3.34Å; V320-L324 PolarHBondContact O-N 3.41Å
321	L	85.3	Confident	80.1	Confident	104 Å²	104	78.7 Å²	78.7	55%	0.545	50%	0.501	S	S	.	.	H	α-helix	trans	-64.3	-39.1	177.4	-70.7	173.5	0	0	0	112.2	V317 L318 A319 L324 G325	V317-L321 HydrophobicContact CG1-CD1 4.01Å; V317-L321 HydrophobicContact CG1-CG 4.44Å; V317-L321 WeakPolarHBondContact O-CG 3.38Å; V317-L321 PolarHBondContact O-N 2.95Å; L318-L321 PolarHBondContact O-N 2.75Å; A319-L321 PolarHBondContact O-N 2.88Å; L321-L324 PolarHBondContact O-N 3.18Å; L321-G325 PolarHBondContact O-N 3.09Å
322	A	83.3	Confident	80	Confident	66 Å²	66	80.5 Å²	80.5	55%	0.545	51%	0.508	S	S	.	.	H	α-helix	trans	-64.1	-42.1	175.8	0	0	0	0	0	111.9	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.46Å; L318-A322 PolarHBondContact O-N 3.33Å; A319-A322 PolarHBondContact O-N 2.94Å; V320-A322 PolarHBondContact O-N 2.97Å; A322-G325 PolarHBondContact O-N 3.42Å; A322-A326 WeakPolarHBondContact O-CB 3.44Å; A322-A326 PolarHBondContact O-N 2.78Å
323	V	82.9	Confident	79.3	Confident	92 Å²	92	80.3 Å²	80.3	56%	0.558	51%	0.51	S	S	*	.	H	α-helix	trans	-64.6	-45.4	176.1	173.2	0	0	0	0	110.8	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.45Å; A319-V323 PolarHBondContact O-N 2.98Å; V320-V323 PolarHBondContact O-N 3.13Å; V323-G325 VanDerWaalsContact C-N 3.34Å; V323-G325 PolarHBondContact O-N 2.71Å; V323-A326 PolarHBondContact O-N 3.01Å; V323-V327 HydrophobicContact CG1-CG2 4.41Å; V323-V327 VanDerWaalsContact O-CG2 3.28Å; V323-V327 WeakPolarHBondContact O-CG2 3.39Å; V323-V327 PolarHBondContact O-N 3.05Å
324	L	82.2	Confident	78.7	Confident	101 Å²	101	87 Å²	87	53%	0.529	52%	0.524	S	S	.	.	H	α-helix	trans	-61.3	-42.8	176	-73.1	169	0	0	0	111.6	V320 L321 V327 M328	V320-L324 HydrophobicContact CG1-CD1 3.95Å; V320-L324 HydrophobicContact CG1-CG 4.49Å; V320-L324 WeakPolarHBondContact O-CG 3.34Å; V320-L324 PolarHBondContact O-N 3.41Å; L321-L324 PolarHBondContact O-N 3.18Å; L324-V327 PolarHBondContact O-N 3.22Å; L324-M328 WeakPolarHBondContact O-CB 3.48Å; L324-M328 VanDerWaalsContact O-CG 3.28Å; L324-M328 WeakPolarHBondContact O-CG 3.22Å; L324-M328 PolarHBondContact O-N 2.88Å
325	G	81.6	Confident	77.5	Confident	43 Å²	43	95.4 Å²	95.4	44%	0.443	55%	0.546	S	S	.	.	H	α-helix	trans	-60.1	-44.5	174.7	0	0	0	0	0	112.6	L321 A322 V323 M328 A329	L321-G325 PolarHBondContact O-N 3.09Å; A322-G325 PolarHBondContact O-N 3.42Å; V323-G325 VanDerWaalsContact C-N 3.34Å; V323-G325 PolarHBondContact O-N 2.71Å; G325-M328 PolarHBondContact O-N 3.23Å; G325-A329 WeakPolarHBondContact O-CB 3.42Å; G325-A329 PolarHBondContact O-N 3.05Å
326	A	79.1	Confident	75.9	Confident	56 Å²	56	99 Å²	99	46%	0.463	56%	0.557	S	S	.	*	H	α-helix	trans	-64.7	-42.1	176.7	0	0	0	0	0	112.3	A322 V323 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.44Å; A322-A326 PolarHBondContact O-N 2.78Å; V323-A326 PolarHBondContact O-N 3.01Å; A326-A329 PolarHBondContact O-N 2.91Å; A326-V330 WeakPolarHBondContact O-CG2 3.43Å; A326-V330 PolarHBondContact O-N 3.43Å
327	V	79.7	Confident	74.4	Confident	78 Å²	78	100.8 Å²	100.8	47%	0.473	57%	0.566	S	S	.	*	H	α-helix	trans	-62.8	-44.9	176.3	171.7	0	0	0	0	110.7	V323 L324 A329 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.41Å; V323-V327 VanDerWaalsContact O-CG2 3.28Å; V323-V327 WeakPolarHBondContact O-CG2 3.39Å; V323-V327 PolarHBondContact O-N 3.05Å; L324-V327 PolarHBondContact O-N 3.22Å; V327-A329 PolarHBondContact O-N 3.26Å; V327-V330 PolarHBondContact O-N 3.18Å; V327-V331 HydrophobicContact CG1-CG2 4.38Å; V327-V331 VanDerWaalsContact O-CG2 3.29Å; V327-V331 WeakPolarHBondContact O-CG2 3.45Å; V327-V331 PolarHBondContact O-N 3.06Å
328	M	74.4	Confident	72.6	Confident	118 Å²	118	101.7 Å²	101.7	58%	0.581	58%	0.576	S	S	*	*	H	α-helix	trans	-62.4	-41.2	176.5	-71.2	-62.5	-70.6	0	0	112	L324 G325 V331 M332	L324-M328 WeakPolarHBondContact O-CB 3.48Å; L324-M328 VanDerWaalsContact O-CG 3.28Å; L324-M328 WeakPolarHBondContact O-CG 3.22Å; L324-M328 PolarHBondContact O-N 2.88Å; G325-M328 PolarHBondContact O-N 3.23Å; M328-V331 PolarHBondContact O-N 3.21Å; M328-M332 WeakPolarHBondContact O-CB 3.3Å; M328-M332 WeakPolarHBondContact O-CG 3.4Å; M328-M332 PolarHBondContact O-N 3.36Å
329	A	73.8	Confident	70.6	Confident	53 Å²	53	99.2 Å²	99.2	44%	0.438	58%	0.579	S	S	.	*	H	α-helix	trans	-62.8	-43	174.8	0	0	0	0	0	112.2	G325 A326 V327 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.42Å; G325-A329 PolarHBondContact O-N 3.05Å; A326-A329 PolarHBondContact O-N 2.91Å; V327-A329 PolarHBondContact O-N 3.26Å; A329-M332 PolarHBondContact O-N 3.36Å; A329-C333 WeakPolarHBondContact O-CB 3.37Å; A329-C333 PolarHBondContact O-N 2.86Å; A329-C333 PolarHBondContact O-SG 3.16Å
330	V	73.6	Confident	68.3	Low	82 Å²	82	100.4 Å²	100.4	50%	0.497	60%	0.596	S	S	.	*	H	α-helix	trans	-65.1	-41.3	176.3	170.3	0	0	0	0	111.5	A326 V327 C333 R334	A326-V330 WeakPolarHBondContact O-CG2 3.43Å; A326-V330 PolarHBondContact O-N 3.43Å; V327-V330 PolarHBondContact O-N 3.18Å; V330-C333 PolarHBondContact O-N 3.3Å; V330-R334 WeakPolarHBondContact O-CB 3.47Å; V330-R334 WeakPolarHBondContact O-CG 3.48Å; V330-R334 PolarHBondContact O-N 3.07Å
331	V	73.2	Confident	65.9	Low	75 Å²	75	106.8 Å²	106.8	46%	0.455	62%	0.617	S	S	.	*	H	α-helix	trans	-65.6	-40.5	177	171.2	0	0	0	0	111.1	V327 M328 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.38Å; V327-V331 VanDerWaalsContact O-CG2 3.29Å; V327-V331 WeakPolarHBondContact O-CG2 3.45Å; V327-V331 PolarHBondContact O-N 3.06Å; M328-V331 PolarHBondContact O-N 3.21Å; V331-R334 PolarHBondContact O-N 3.32Å; V331-R335 PolarHBondContact O-N 3.11Å
332	M	71.4	Confident	63.4	Low	133 Å²	133	105.7 Å²	105.7	66%	0.655	63%	0.631	S	S	*	*	H	α-helix	trans	-66.2	-40.9	174.2	-73.8	-174.1	70.2	0	0	112.3	M328 A329 R334 R335 K336	M328-M332 WeakPolarHBondContact O-CB 3.3Å; M328-M332 WeakPolarHBondContact O-CG 3.4Å; M328-M332 PolarHBondContact O-N 3.36Å; A329-M332 PolarHBondContact O-N 3.36Å; M332-R334 VanDerWaalsContact C-N 3.32Å; M332-R334 PolarHBondContact O-N 2.97Å; M332-R335 PolarHBondContact O-N 3.32Å; M332-K336 WeakPolarHBondContact O-CB 3.45Å; M332-K336 PolarHBondContact O-N 3.44Å
333	C	62.2	Low	60.9	Low	88 Å²	88	106.6 Å²	106.6	60%	0.595	65%	0.646	S	S	*	*	H	α-helix	trans	-63.1	-37.7	173.3	-78.9	0	0	0	0	112.1	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.37Å; A329-C333 PolarHBondContact O-N 2.86Å; A329-C333 PolarHBondContact O-SG 3.16Å; V330-C333 PolarHBondContact O-N 3.3Å; C333-K336 PolarHBondContact O-N 3.03Å; C333-S337 PolarHBondContact O-N 3.43Å; C333-S337 VanDerWaalsContact O-N 3.1Å; C333-S337 PolarHBondContact O-OG 2.77Å; C333-S337 VanDerWaalsContact O-OG 3.09Å
334	R	61.2	Low	58.5	Low	192 Å²	192	107.7 Å²	107.7	73%	0.725	66%	0.658	S	S	*	*	H	α-helix	trans	-72.4	-31.1	175.2	-78.4	-173	140.5	165.2	-2.9	113.7	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.47Å; V330-R334 WeakPolarHBondContact O-CG 3.48Å; V330-R334 PolarHBondContact O-N 3.07Å; V331-R334 PolarHBondContact O-N 3.32Å; M332-R334 VanDerWaalsContact C-N 3.32Å; M332-R334 PolarHBondContact O-N 2.97Å; R334-K336 VanDerWaalsContact C-N 3.31Å; R334-S337 PolarHBondContact O-OG 3.06Å
335	R	56.5	Low	56.1	Low	210 Å²	210	108.4 Å²	108.4	79%	0.792	67%	0.67	S	S	*	*	H	α-helix	trans	-70.2	-28.2	169.8	-104.1	-177.7	169.1	172.6	-2.6	112.5	V331 M332	V331-R335 PolarHBondContact O-N 3.11Å; M332-R335 PolarHBondContact O-N 3.32Å
336	K	50.3	Low	53.8	Low	185 Å²	185	112.5 Å²	112.5	80%	0.804	69%	0.692	S	S	*	*	H	α-helix	trans	-85.9	-18.7	179.6	-161.5	168.4	-179.1	178.3	0	113.5	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.45Å; M332-K336 PolarHBondContact O-N 3.44Å; C333-K336 PolarHBondContact O-N 3.03Å; R334-K336 VanDerWaalsContact C-N 3.31Å
337	S	51.4	Low	51.8	Low	92 Å²	92	119 Å²	119	64%	0.643	71%	0.713	S	S	*	*	S	Bend	trans	-93.9	5	179.2	56.2	0	0	0	0	115.4	C333 R334 G339	C333-S337 PolarHBondContact O-N 3.43Å; C333-S337 VanDerWaalsContact O-N 3.1Å; C333-S337 PolarHBondContact O-OG 2.77Å; C333-S337 VanDerWaalsContact O-OG 3.09Å; R334-S337 PolarHBondContact O-OG 3.06Å; S337-G339 VanDerWaalsContact C-N 3.29Å; S337-G339 PolarHBondContact O-N 3.12Å
338	S	48.1	Very low	49.4	Very low	108 Å²	108	119.7 Å²	119.7	76%	0.755	73%	0.727	S	S	*	*	S	Bend	trans	-89.9	24.7	171.4	74.6	0	0	0	0	114.2
339	G	43.6	Very low	47.4	Very low	65 Å²	65	118.4 Å²	118.4	67%	0.67	74%	0.735	S	S	*	*	S	Bend	trans	-160.7	110.2	173.5	0	0	0	0	0	112.8	S337	S337-G339 VanDerWaalsContact C-N 3.29Å; S337-G339 PolarHBondContact O-N 3.12Å
340	G	36.1	Very low	45.6	Very low	81 Å²	81	121.2 Å²	121.2	84%	0.835	75%	0.751	S	S	*	*			trans	119.3	81.2	154.8	0	0	0	0	0	118
341	K	33.6	Very low	43.6	Very low	221 Å²	221	123.2 Å²	123.2	96%	0.961	77%	0.769	S	S	*	*			trans	-9.7	134.9	142.7	-148.4	153.8	-178.2	170.8	0	118.5
342	G	32.7	Very low	42	Very low	81 Å²	81	127.5 Å²	127.5	84%	0.835	79%	0.789	S	S	*	*			trans	128.8	125.6	137.6	0	0	0	0	0	118.2
343	G	30.8	Very low	40.4	Very low	84 Å²	84	127.3 Å²	127.3	87%	0.866	80%	0.801	S	S	*	*			trans	121	85.4	139	0	0	0	0	0	120.2
344	S	33.2	Very low	39.3	Very low	115 Å²	115	127.5 Å²	127.5	80%	0.804	81%	0.809	S	S	*	*			trans	5.9	139.5	143.1	-174.4	0	0	0	0	124.1
345	C	32.1	Very low	38.1	Very low	116 Å²	116	127.9 Å²	127.9	78%	0.784	82%	0.819	S	S	*	*			trans	14.7	135.7	145.8	-75	0	0	0	0	122.7
346	S	32.2	Very low	36.9	Very low	130 Å²	130	121.2 Å²	121.2	91%	0.909	82%	0.816	S	S	*	*				-175.2	161.7	108.4	29.4	0	0	0	0	113.5
347	Q	37.9	Very low	36.4	Very low	193 Å²	193	118.6 Å²	118.6	90%	0.902	82%	0.821	S	S	*	*			trans	-117.6	143.2	-165.5	177.7	-178.4	6.6	0	0	109
348	A	29.2	Very low	35.8	Very low	92 Å²	92	121.8 Å²	121.8	76%	0.76	83%	0.831	S	S	*	*			trans	-167.6	115.4	156.1	0	0	0	0	0	108
349	A	32.3	Very low	35.1	Very low	90 Å²	90	125.2 Å²	125.2	74%	0.744	84%	0.835	S	S	*	*				62.2	95.4	78.8	0	0	0	0	0	112
350	S	35.5	Very low	34.7	Very low	112 Å²	112	127.4 Å²	127.4	78%	0.783	84%	0.84	S	S	*	*				74.3	120.7	89.3	75.7	0	0	0	0	115.5
351	S	32.7	Very low	34.6	Very low	125 Å²	125	131.4 Å²	131.4	87%	0.874	84%	0.841	S	S	*	*			trans	-174.3	138.6	131.3	47	0	0	0	0	113
352	N	38.3	Very low	34.7	Very low	164 Å²	164	128.1 Å²	128.1	88%	0.877	83%	0.833	S	S	*	*			trans	-76.8	158.9	169.4	-76	-32.3	0	0	0	111.8
353	S	38.8	Very low	34.7	Very low	129 Å²	129	128.5 Å²	128.5	90%	0.902	83%	0.828	S	S	*	*			trans	-156	143.2	143	38.9	0	0	0	0	111.2
354	A	38.1	Very low	34.8	Very low	93 Å²	93	130.1 Å²	130.1	77%	0.769	83%	0.825	S	S	*	*			trans	-119.9	150	-173.2	0	0	0	0	0	110.9
355	Q	36.7	Very low	34.8	Very low	199 Å²	199	134.1 Å²	134.1	93%	0.93	83%	0.827	S	S	*	*			trans	-178.7	116	152.3	-107.8	163.7	-19.4	0	0	106.3
356	G	31.7	Very low	35.1	Very low	71 Å²	71	136.8 Å²	136.8	73%	0.732	86%	0.858	S	S	*	*				88.9	107.9	72.4	0	0	0	0	0	109.5
357	S	38.7	Very low	35.2	Very low	130 Å²	130	137.2 Å²	137.2	91%	0.909	86%	0.856	S	S	*	*				-174.7	154.2	97.4	-52.7	0	0	0	0	111.5
358	D	38.7	Very low	35.1	Very low	158 Å²	158	134.2 Å²	134.2	85%	0.845	85%	0.853	S	S	*	*			trans	-58.2	156.4	-176.6	-66.4	-58.9	0	0	0	117.4
359	E	33.6	Very low	35.4	Very low	180 Å²	180	136.6 Å²	136.6	84%	0.841	86%	0.858	S	S	*	*				174.9	134.8	92.6	-128.3	-170.1	152.8	0	0	114.9
360	S	35	Very low	35.6	Very low	112 Å²	112	139.3 Å²	139.3	78%	0.783	87%	0.865	S	S	*	*			trans	81.7	120.5	146	78.6	0	0	0	0	122.9
361	L	34	Very low	35.6	Very low	164 Å²	164	141 Å²	141	86%	0.859	87%	0.87	S	S	*	*			trans	-67.1	159.6	168.5	-72.3	135.9	0	0	0	112
362	I	36.6	Very low	35.8	Very low	153 Å²	153	142.1 Å²	142.1	79%	0.785	87%	0.87	S	S	*	*				-176.1	120.5	85.6	-79.7	168.2	0	0	0	106.4
363	A	33.7	Very low	35.6	Very low	88 Å²	88	140.5 Å²	140.5	73%	0.727	87%	0.87	S	S	*	*				55.2	141	100.5	0	0	0	0	0	115.3
364	C	31.2	Very low	35.4	Very low	118 Å²	118	141.4 Å²	141.4	80%	0.797	87%	0.867	S	S	*	*			cis	-153	141.8	6.3	-94.4	0	0	0	0	105.5
365	K	33.8	Very low	35.1	Very low	199 Å²	199	145.4 Å²	145.4	87%	0.865	88%	0.875	S	S	*	*				69.5	119	72.6	-139.1	-174	-165.9	-177.7	0	115.3
366	A	37.9	Very low	35	Very low	173 Å²	173	140.5 Å²	140.5	100%	1.43	87%	0.87	S	S	*	*			trans	60.9	0	150.1	0	0	0	0	0	119

Retrieved 366 of 366 residues in 113.3 ms (Link to these results)

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