A0A090KME8_HUMAN Loading...

HLA class I antigen

AlphaFold DB , UniProt , Accession A0A090KME8, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 362 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	34.2	Very low	42.2	Very low	241 Å²	241	140.2 Å²	140.2	100%	1.187	73%	0.727	S	S	*	*				0	121.2	0	-68.2	158	177.6	0	0	107.8
2	R	34.8	Very low	42.5	Very low	248 Å²	248	140.1 Å²	140.1	94%	0.936	73%	0.727	S	S	*	*			trans	-97.8	112.5	169	-85.9	-177.9	172	164.6	-2.7	107.3	T4	R2-T4 PolarHBondContact O-N 2.69Å
3	V	36.6	Very low	42.2	Very low	140 Å²	140	136.8 Å²	136.8	85%	0.848	71%	0.71	S	S	*	*			trans	-77.2	104	172.9	179.5	0	0	0	0	107.4	A5	V3-A5 PolarHBondContact O-N 2.65Å
4	T	43.8	Very low	42.1	Very low	130 Å²	130	131.6 Å²	131.6	80%	0.798	69%	0.692	S	S	*	*			trans	-76.7	105.8	169.3	43.6	0	0	0	0	109	R2	R2-T4 PolarHBondContact O-N 2.69Å
5	A	41.6	Very low	42.2	Very low	68 Å²	68	125.3 Å²	125.3	56%	0.562	67%	0.671	S	S	*	*			trans	-61.3	146.9	169.3	0	0	0	0	0	110.7	V3 R7	V3-A5 PolarHBondContact O-N 2.65Å; A5-R7 PolarHBondContact O-N 3.46Å
6	P	43.4	Very low	42.3	Very low	79 Å²	79	120.6 Å²	120.6	51%	0.513	65%	0.654	S	S	.	*			trans	-67.4	128.9	-179.5	-15.1	29.1	0	0	0	110.6	T8 V9	P6-T8 PolarHBondContact O-N 3.16Å; P6-T8 VanDerWaalsContact O-N 3.1Å; P6-V9 HydrophobicContact CB-CG2 4.19Å; P6-V9 HydrophobicContact CG-CG2 4.21Å; P6-V9 PolarHBondContact O-N 2.91Å
7	R	47.9	Very low	42	Very low	224 Å²	224	119.6 Å²	119.6	85%	0.845	65%	0.648	S	S	*	*	H	α-helix	trans	-56	-27.4	179.6	-88.6	178.9	158	136.9	-7.4	113.9	A5 L10 L11	A5-R7 PolarHBondContact O-N 3.46Å; R7-L10 PolarHBondContact O-N 2.66Å; R7-L11 PolarHBondContact O-N 3.43Å
8	T	48.2	Very low	41.8	Very low	97 Å²	97	116.1 Å²	116.1	60%	0.595	64%	0.637	S	S	*	*	H	α-helix	trans	-67.1	-39	176.4	39.6	0	0	0	0	113.3	P6 L10 L11 L12	P6-T8 PolarHBondContact O-N 3.16Å; P6-T8 VanDerWaalsContact O-N 3.1Å; T8-L10 VanDerWaalsContact C-N 3.31Å; T8-L10 PolarHBondContact O-N 3.24Å; T8-L11 PolarHBondContact O-N 2.79Å; T8-L12 PolarHBondContact O-N 3.15Å
9	V	46.1	Very low	41.7	Very low	75 Å²	75	114.6 Å²	114.6	46%	0.455	63%	0.628	S	S	.	*	H	α-helix	trans	-66.8	-36	177.1	178.8	0	0	0	0	110.8	P6 L11 L13	P6-V9 HydrophobicContact CB-CG2 4.19Å; P6-V9 HydrophobicContact CG-CG2 4.21Å; P6-V9 PolarHBondContact O-N 2.91Å; V9-L11 VanDerWaalsContact C-N 3.34Å; V9-L11 PolarHBondContact O-N 3.42Å; V9-L13 HydrophobicContact CG1-CD1 4.01Å; V9-L13 WeakPolarHBondContact O-CB 3.28Å; V9-L13 WeakPolarHBondContact O-CG 3.49Å; V9-L13 PolarHBondContact O-N 2.95Å; V9-L13 VanDerWaalsContact O-N 3.15Å
10	L	41.2	Very low	41.6	Very low	119 Å²	119	112.9 Å²	112.9	62%	0.623	62%	0.622	S	S	*	*	H	α-helix	trans	-65.3	-36.1	177.8	-138.1	82.8	0	0	0	112.5	R7 T8 S14	R7-L10 PolarHBondContact O-N 2.66Å; T8-L10 VanDerWaalsContact C-N 3.31Å; T8-L10 PolarHBondContact O-N 3.24Å; L10-S14 PolarHBondContact O-N 2.95Å; L10-S14 PolarHBondContact O-OG 3Å
11	L	46.8	Very low	41.4	Very low	121 Å²	121	115.4 Å²	115.4	63%	0.634	63%	0.629	S	S	*	*	H	α-helix	trans	-73.8	-40.4	-179	-73.7	166.6	0	0	0	112.8	R7 T8 V9 S14 G15	R7-L11 PolarHBondContact O-N 3.43Å; T8-L11 PolarHBondContact O-N 2.79Å; V9-L11 VanDerWaalsContact C-N 3.34Å; V9-L11 PolarHBondContact O-N 3.42Å; L11-S14 WeakPolarHBondContact CA-OG 3.49Å; L11-S14 PolarHBondContact O-N 3.5Å; L11-S14 PolarHBondContact O-OG 3.03Å; L11-G15 PolarHBondContact O-N 2.93Å
12	L	45.6	Very low	41.9	Very low	139 Å²	139	108.2 Å²	108.2	73%	0.728	60%	0.599	S	S	*	*	H	α-helix	trans	-66	-40.2	174.8	-72.5	167.7	0	0	0	111.5	T8 G15 A16	T8-L12 PolarHBondContact O-N 3.15Å; L12-G15 PolarHBondContact O-N 3.42Å; L12-A16 PolarHBondContact O-N 3.02Å
13	L	39.1	Very low	42.6	Very low	98 Å²	98	98.8 Å²	98.8	51%	0.513	56%	0.563	S	S	.	*	H	α-helix	trans	-64.1	-39.2	173.8	-78.5	167.3	0	0	0	112.6	V9 A16 L17	V9-L13 HydrophobicContact CG1-CD1 4.01Å; V9-L13 WeakPolarHBondContact O-CB 3.28Å; V9-L13 WeakPolarHBondContact O-CG 3.49Å; V9-L13 PolarHBondContact O-N 2.95Å; V9-L13 VanDerWaalsContact O-N 3.15Å; L13-A16 PolarHBondContact O-N 3.19Å; L13-L17 VanDerWaalsContact O-CB 3.29Å; L13-L17 WeakPolarHBondContact O-CB 3.47Å; L13-L17 WeakPolarHBondContact O-CD1 3.46Å; L13-L17 VanDerWaalsContact O-CG 3.32Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 3.04Å
14	S	40.6	Very low	43.5	Very low	64 Å²	64	95.2 Å²	95.2	45%	0.448	55%	0.548	S	S	.	.	H	α-helix	trans	-73.5	-28.9	176.8	57.4	0	0	0	0	113.3	L10 L11 A18	L10-S14 PolarHBondContact O-N 2.95Å; L10-S14 PolarHBondContact O-OG 3Å; L11-S14 WeakPolarHBondContact CA-OG 3.49Å; L11-S14 PolarHBondContact O-N 3.5Å; L11-S14 PolarHBondContact O-OG 3.03Å; S14-A18 WeakPolarHBondContact O-CB 3.33Å; S14-A18 PolarHBondContact O-N 2.81Å
15	G	42.8	Very low	45.1	Very low	37 Å²	37	90 Å²	90	38%	0.381	52%	0.521	S	S	.	.	H	α-helix	trans	-65.2	-46.7	169.4	0	0	0	0	0	112.3	L11 L12 L19	L11-G15 PolarHBondContact O-N 2.93Å; L12-G15 PolarHBondContact O-N 3.42Å; G15-L19 PolarHBondContact O-N 3.32Å
16	A	43.5	Very low	47.5	Very low	49 Å²	49	89.5 Å²	89.5	41%	0.405	51%	0.513	S	S	.	.	H	α-helix	trans	-65.7	-42.5	176.9	0	0	0	0	0	112.7	L12 L13 L19 T20	L12-A16 PolarHBondContact O-N 3.02Å; L13-A16 PolarHBondContact O-N 3.19Å; A16-L19 PolarHBondContact O-N 3.36Å; A16-T20 PolarHBondContact O-N 2.9Å; A16-T20 PolarHBondContact O-OG1 2.88Å
17	L	38.2	Very low	50	Low	105 Å²	105	87.1 Å²	87.1	55%	0.55	50%	0.495	S	S	.	.	H	α-helix	trans	-66	-42.2	178.6	-79	164.2	0	0	0	112.4	L13 L19 T20 E21	L13-L17 VanDerWaalsContact O-CB 3.29Å; L13-L17 WeakPolarHBondContact O-CB 3.47Å; L13-L17 WeakPolarHBondContact O-CD1 3.46Å; L13-L17 VanDerWaalsContact O-CG 3.32Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 3.04Å; L17-L19 VanDerWaalsContact C-N 3.28Å; L17-L19 PolarHBondContact O-N 3.48Å; L17-T20 WeakPolarHBondContact CA-OG1 3.45Å; L17-T20 PolarHBondContact O-N 3.19Å; L17-T20 VanDerWaalsContact O-N 3.17Å; L17-T20 PolarHBondContact O-OG1 3.26Å; L17-E21 PolarHBondContact O-N 3.32Å
18	A	38.8	Very low	52.4	Low	55 Å²	55	77.6 Å²	77.6	46%	0.455	46%	0.463	S	S	.	.	H	α-helix	trans	-62	-35.9	176.5	0	0	0	0	0	112.3	S14 T22	S14-A18 WeakPolarHBondContact O-CB 3.33Å; S14-A18 PolarHBondContact O-N 2.81Å; A18-T22 WeakPolarHBondContact O-CG2 3.36Å; A18-T22 PolarHBondContact O-N 3.38Å; A18-T22 PolarHBondContact O-OG1 3.1Å
19	L	39.8	Very low	54.8	Low	89 Å²	89	73 Å²	73	47%	0.466	43%	0.434	S	S	.	.	H	α-helix	trans	-72.1	-34.8	173.7	-85.9	157.8	0	0	0	112.8	G15 A16 L17 T22	G15-L19 PolarHBondContact O-N 3.32Å; A16-L19 PolarHBondContact O-N 3.36Å; L17-L19 VanDerWaalsContact C-N 3.28Å; L17-L19 PolarHBondContact O-N 3.48Å; L19-T22 PolarHBondContact O-OG1 3.07Å
20	T	39.6	Very low	57.3	Low	80 Å²	80	72 Å²	72	49%	0.491	42%	0.422	S	S	.	.	H	α-helix	trans	-71.8	-29.4	175.1	51.4	0	0	0	0	113.7	A16 L17	A16-T20 PolarHBondContact O-N 2.9Å; A16-T20 PolarHBondContact O-OG1 2.88Å; L17-T20 WeakPolarHBondContact CA-OG1 3.45Å; L17-T20 PolarHBondContact O-N 3.19Å; L17-T20 VanDerWaalsContact O-N 3.17Å; L17-T20 PolarHBondContact O-OG1 3.26Å
21	E	37.1	Very low	60.1	Low	166 Å²	166	66.7 Å²	66.7	78%	0.776	39%	0.394	S	S	*	.	H	α-helix	trans	-76.5	-25.4	175.2	-78.2	-171	145.7	0	0	113.2	L17	L17-E21 PolarHBondContact O-N 3.32Å
22	T	45	Very low	62.6	Low	90 Å²	90	65 Å²	65	55%	0.552	38%	0.382	S	S	*	.	H	α-helix	trans	-83.5	-12.6	-178.1	51.1	0	0	0	0	115.1	A18 L19	A18-T22 WeakPolarHBondContact O-CG2 3.36Å; A18-T22 PolarHBondContact O-N 3.38Å; A18-T22 PolarHBondContact O-OG1 3.1Å; L19-T22 PolarHBondContact O-OG1 3.07Å
23	W	48.6	Very low	65.1	Low	50 Å²	50	58.7 Å²	58.7	19%	0.189	35%	0.348	C	S	.	.	H	α-helix	trans	-94.4	-25.9	-175.6	-75.5	44.7	0	0	0	113.9	G25 E236 E288	W23-G25 PolarHBondContact O-N 3.28Å; W23-E236 HydrophobicContact CH2-CB 4.23Å; W23-E236 HydrophobicContact CH2-CG 3.63Å; W23-E236 HydrophobicContact CZ2-CG 3.69Å; W23-E236 HydrophobicContact CZ3-CB 4.33Å; W23-E236 HydrophobicContact CZ3-CG 4.14Å; W23-E236 WeakPolarHBondContact CZ3-O 3.35Å; W23-E288 HydrophobicContact CB-CG 4.48Å; W23-E288 HydrophobicContact CE3-CB 4.06Å
24	A	55.6	Low	67.9	Low	64 Å²	64	55.8 Å²	55.8	53%	0.529	34%	0.335	S	S	.	.	S	Bend	trans	-81.2	101.1	-174	0	0	0	0	0	112.3	P129	A24-P129 WeakPolarHBondContact O-CG 3.15Å
25	G	77.5	Confident	70.7	Confident	22 Å²	22	52.8 Å²	52.8	23%	0.227	31%	0.314	C	S	.	.	S	Bend	trans	85.7	17.5	162.1	0	0	0	0	0	117.4	W23 P129	W23-G25 PolarHBondContact O-N 3.28Å; G25-P129 VanDerWaalsContact O-CA 3.27Å; G25-P129 WeakPolarHBondContact O-CA 3.46Å
26	S	92.4	Very high	73.4	Confident	56 Å²	56	53.9 Å²	53.9	39%	0.392	31%	0.31	S	S	.	.			trans	-82.3	142	160	61.9	0	0	0	0	110.4	V127	S26-V127 CarbonylContact C-O 3.57Å; S26-V127 VanDerWaalsContact CA-O 3.29Å; S26-V127 WeakPolarHBondContact CA-O 3.13Å
27	H	96.7	Very high	75.9	Confident	29 Å²	29	52.5 Å²	52.5	13%	0.134	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	158.9	179.5	-68.1	-75.6	0	0	0	111.6	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.29Å; H27-D53 WeakPolarHBondContact CA-OD1 3.49Å; H27-D53 IonicContact CE1-OD2 2.69Å; H27-D53 IonicContact CG-OD2 2.76Å; H27-D53 IonicContact ND1-OD1 3.46Å; H27-D53 IonicContact ND1-OD2 3.53Å; H27-D53 PolarHBondContact ND1-OD2 2.79Å; H27-D126 CarbonylContact O-C 3.53Å; H27-D126 WeakPolarHBondContact O-CA 3.37Å; H27-V127 HydrophobicContact CB-CG2 4.08Å; H27-V127 PolarHBondContact N-O 3.05Å; H27-V127 PolarHBondContact O-N 3.29Å; H27-L192 HydrophobicContact CB-CD1 4.42Å; H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 3.97Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 VanDerWaalsContact CG-CD2 3.5Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.49Å
28	S	98.1	Very high	78.7	Confident	25 Å²	25	51.1 Å²	51.1	18%	0.175	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	147.7	178.9	64.4	0	0	0	0	112.3	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.55Å; S28-V52 VanDerWaalsContact O-CA 3.32Å; S28-V52 WeakPolarHBondContact O-CA 3.13Å; S28-D53 PolarHBondContact N-OD1 3.15Å; S28-D53 PolarHBondContact O-N 2.9Å; S28-D53 PolarHBondContact OG-OD1 2.95Å; S28-C125 CarbonylContact C-O 3.54Å; S28-C125 WeakPolarHBondContact CA-O 3.45Å; S28-D126 WeakPolarHBondContact CB-OD1 3.35Å
29	M	98.7	Very high	81.2	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120.6	165.7	-177.9	172.9	63	0	0	108.6	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.17Å; M29-Y31 HydrophobicContact CG-CE2 4.11Å; M29-Y31 HydrophobicContact SD-CE2 3.97Å; M29-Y51 WeakPolarHBondContact CA-O 3.24Å; M29-V52 HydrophobicContact CG-CG2 4.37Å; M29-F57 HydrophobicContact CG-CE1 4.38Å; M29-F57 HydrophobicContact SD-CZ 4.21Å; M29-G124 CarbonylContact O-C 3.57Å; M29-G124 WeakPolarHBondContact O-CA 3.43Å; M29-C125 PolarHBondContact N-O 3.16Å; M29-C125 PolarHBondContact O-N 3.23Å; M29-C188 HydrophobicContact CE-CB 4.19Å; M29-C188 WeakPolarHBondContact CE-O 3.21Å; M29-C188 WeakPolarHBondContact CE-SG 3.32Å; M29-W191 HydrophobicContact CE-CB 4.09Å; M29-W191 HydrophobicContact SD-CB 4.44Å; M29-L192 HydrophobicContact CB-CB 3.99Å; M29-L192 HydrophobicContact CB-CD1 4Å; M29-L192 HydrophobicContact CB-CD2 4.08Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.44Å; M29-Y195 HydrophobicContact SD-CD2 3.73Å; M29-Y195 HydrophobicContact SD-CE2 3.52Å; M29-Y195 VanDerWaalsContact SD-CE2 3.52Å
30	R	98.7	Very high	83.6	Confident	53 Å²	53	51.1 Å²	51.1	20%	0.2	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	134.2	-176.7	-54.7	-60.5	-172	75.7	7.4	110.9	F32 Y51 D126 H137	R30-F32 HydrophobicContact CB-CD2 4.48Å; R30-F32 HydrophobicContact CB-CE2 3.68Å; R30-F32 HydrophobicContact CB-CZ 3.99Å; R30-Y51 PolarHBondContact N-O 3.49Å; R30-Y51 PolarHBondContact O-N 2.98Å; R30-D126 IonicContact CZ-OD1 3.56Å; R30-D126 VanDerWaalsContact CZ-OD1 3.24Å; R30-D126 IonicContact NE-OD1 3.52Å; R30-D126 PolarHBondContact NE-OD1 3.38Å; R30-D126 VanDerWaalsContact NH2-CG 3.26Å; R30-D126 IonicContact NH2-OD1 3.88Å; R30-D126 PolarHBondContact NH2-OD1 3.5Å; R30-D126 IonicContact NH2-OD2 3.47Å; R30-D126 PolarHBondContact NH2-OD2 2.76Å; R30-H137 PolarHBondContact NH2-NE2 2.8Å; R30-H137 VanDerWaalsContact NH2-NE2 3.17Å
31	Y	98.8	Very high	86.1	Confident	9 Å²	9	57.3 Å²	57.3	4%	0.035	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	133.3	170.6	-71.6	-89.8	0	0	0	109.8	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.17Å; M29-Y31 HydrophobicContact CG-CE2 4.11Å; M29-Y31 HydrophobicContact SD-CE2 3.97Å; Y31-Y33 HydrophobicContact CD1-CE1 4.36Å; Y31-V49 WeakPolarHBondContact CA-O 3.48Å; Y31-F57 HydrophobicContact CE1-CZ 4.15Å; Y31-F57 AromaticContact CZ-CZ 3.84Å; Y31-V58 HydrophobicContact CE1-CG2 4.07Å; Y31-M122 WeakPolarHBondContact O-CA 3.41Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.43Å; Y31-Y123 HydrophobicContact CD2-CD2 4.45Å; Y31-Y123 AromaticContact CD2-CE2 3.58Å; Y31-Y123 HydrophobicContact CD2-CE2 3.58Å; Y31-Y123 AromaticContact CD2-CZ 3.7Å; Y31-Y123 WeakPolarHBondContact CD2-OH 3.46Å; Y31-Y123 HydrophobicContact CE2-CE2 4.38Å; Y31-Y123 HydrophobicContact CG-CE1 4.31Å; Y31-Y123 HydrophobicContact CG-CE2 4.05Å; Y31-Y123 AromaticContact CG-CZ 3.68Å; Y31-Y123 PolarHBondContact N-O 3.49Å; Y31-Y123 PolarHBondContact O-N 3.16Å; Y31-Y123 VanDerWaalsContact O-N 3.14Å
32	F	98.9	Very high	88.7	Confident	84 Å²	84	52.1 Å²	52.1	37%	0.368	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	117.2	177.8	-57.3	-96	0	0	0	109.2	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.48Å; R30-F32 HydrophobicContact CB-CE2 3.68Å; R30-F32 HydrophobicContact CB-CZ 3.99Å; F32-A48 WeakPolarHBondContact O-CA 3.29Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.41Å; F32-V49 PolarHBondContact N-O 2.84Å; F32-V49 PolarHBondContact O-N 3.47Å; F32-Y51 HydrophobicContact CD2-CD2 4.03Å; F32-Y51 HydrophobicContact CE2-CD2 4.08Å; F32-R121 WeakPolarHBondContact CA-O 3.44Å; F32-M122 HydrophobicContact CD1-CB 4.02Å; F32-M122 HydrophobicContact CD1-CG 3.64Å; F32-M122 HydrophobicContact CE1-CB 4.14Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CG-CG 4.47Å; F32-M122 HydrophobicContact CZ-CG 3.96Å
33	Y	98.8	Very high	91.1	Very high	7 Å²	7	51.8 Å²	51.8	3%	0.027	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	135.1	178	-66	1.9	0	0	0	109.4	Y31 F46 I47 A48 N94 Y98 Q120 R121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.36Å; Y33-F46 HydrophobicContact CD1-CZ 4.34Å; Y33-F46 HydrophobicContact CD2-CE2 4Å; Y33-F46 AromaticContact CD2-CZ 3.68Å; Y33-F46 HydrophobicContact CD2-CZ 3.68Å; Y33-F46 HydrophobicContact CE2-CZ 4.15Å; Y33-F46 HydrophobicContact CG-CE2 4.12Å; Y33-F46 AromaticContact CG-CZ 3.79Å; Y33-F46 HydrophobicContact CG-CZ 3.79Å; Y33-I47 WeakPolarHBondContact CA-O 3.37Å; Y33-A48 HydrophobicContact CD1-CB 3.42Å; Y33-A48 VanDerWaalsContact CD1-CB 3.42Å; Y33-A48 HydrophobicContact CE1-CB 3.55Å; Y33-A48 HydrophobicContact CG-CB 4.26Å; Y33-N94 HydrophobicContact CE2-CB 4.36Å; Y33-N94 VanDerWaalsContact CE2-ND2 3.29Å; Y33-N94 WeakPolarHBondContact CE2-ND2 3.5Å; Y33-N94 PolarHBondContact OH-ND2 2.92Å; Y33-Y98 AromaticContact CD2-CE2 3.95Å; Y33-Y98 HydrophobicContact CD2-CE2 3.95Å; Y33-Y98 AromaticContact CD2-CZ 3.86Å; Y33-Y98 WeakPolarHBondContact CD2-OH 3.34Å; Y33-Q120 CarbonylContact O-C 3.56Å; Y33-Q120 VanDerWaalsContact O-CA 3.27Å; Y33-Q120 WeakPolarHBondContact O-CA 3.44Å; Y33-R121 PolarHBondContact N-O 3.16Å; Y33-R121 PolarHBondContact O-N 3.32Å; Y33-Y123 HydrophobicContact CD1-CE1 4.47Å; Y33-Y123 HydrophobicContact CD2-CE1 4.4Å; Y33-Y123 AromaticContact CE1-CE1 3.93Å; Y33-Y123 HydrophobicContact CE1-CE1 3.93Å; Y33-Y123 AromaticContact CE2-CE1 3.86Å; Y33-Y123 HydrophobicContact CE2-CE1 3.86Å; Y33-Y123 AromaticContact CZ-CE1 3.62Å; Y33-Y123 PolarHBondContact OH-OH 2.9Å
34	T	98.8	Very high	93.4	Very high	38 Å²	38	50.3 Å²	50.3	23%	0.233	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	119.5	177.6	-57.9	0	0	0	0	109.6	M36 I47 T118 Q120	T34-M36 HydrophobicContact CG2-CE 4.14Å; T34-M36 HydrophobicContact CG2-CG 4.1Å; T34-M36 HydrophobicContact CG2-SD 4.3Å; T34-I47 PolarHBondContact N-O 3.49Å; T34-I47 PolarHBondContact O-N 3.47Å; T34-T118 HydrophobicContact CG2-CG2 4.07Å; T34-Q120 HydrophobicContact CG2-CG 4.03Å
35	A	98.6	Very high	95.4	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.008	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.6	171.3	0	0	0	0	0	110.6	R45 F46 Y98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.56Å; A35-R45 VanDerWaalsContact CA-O 3.3Å; A35-R45 WeakPolarHBondContact CA-O 3.49Å; A35-F46 HydrophobicContact CB-CD2 4.23Å; A35-Y98 HydrophobicContact CB-CD1 3.59Å; A35-Y98 HydrophobicContact CB-CG 4.03Å; A35-L102 HydrophobicContact CB-CD1 3.85Å; A35-T118 WeakPolarHBondContact O-CA 3.34Å; A35-L119 PolarHBondContact N-O 3.35Å; A35-L119 PolarHBondContact O-N 2.96Å
36	M	98.4	Very high	96.4	Very high	60 Å²	60	50.3 Å²	50.3	30%	0.296	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	116.2	-179.6	-65.5	158.5	-75.6	0	0	109.1	T34 P44 R45 I47 T118	T34-M36 HydrophobicContact CG2-CE 4.14Å; T34-M36 HydrophobicContact CG2-CG 4.1Å; T34-M36 HydrophobicContact CG2-SD 4.3Å; M36-P44 CarbonylContact O-C 3.49Å; M36-P44 WeakPolarHBondContact O-CA 3.36Å; M36-P44 WeakPolarHBondContact O-CB 3.25Å; M36-R45 HydrophobicContact CE-CB 4.48Å; M36-R45 HydrophobicContact CE-CG 4.46Å; M36-R45 PolarHBondContact N-O 2.82Å; M36-R45 PolarHBondContact O-N 2.94Å; M36-I47 HydrophobicContact CE-CD1 3.88Å; M36-I47 HydrophobicContact CE-CG1 4.36Å; M36-T118 HydrophobicContact CG-CG2 4.18Å
37	S	97.6	Very high	96.7	Very high	19 Å²	19	49 Å²	49	13%	0.133	26%	0.264	C	S	.	.			trans	-69.4	152.4	169.8	70.4	0	0	0	0	110.3	S116 H117	S37-S116 PolarHBondContact O-OG 2.96Å; S37-H117 PolarHBondContact N-O 3.03Å; S37-H117 PolarHBondContact OG-N 2.94Å; S37-H117 PolarHBondContact OG-O 2.84Å
38	R	95.6	Very high	96.8	Very high	76 Å²	76	47.7 Å²	47.7	29%	0.287	26%	0.258	S	S	.	.			trans	-145	73.2	-178.6	52.9	173.9	172.4	-157.1	-15	111.5	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.03Å; R38-R41 HydrophobicContact CB-CB 4.14Å; R38-R41 WeakPolarHBondContact CD-O 3.4Å; R38-R41 HydrophobicContact CG-CB 4.23Å; R38-R41 PolarHBondContact NE-O 3.22Å; R38-R41 PolarHBondContact O-N 3.19Å; R38-E43 VanDerWaalsContact CZ-O 3.26Å; R38-E43 PolarHBondContact NE-O 2.83Å; R38-E43 PolarHBondContact NH2-O 2.85Å; R38-D63 IonicContact CZ-OD1 2.78Å; R38-D63 IonicContact CZ-OD2 3.83Å; R38-D63 IonicContact NH1-OD1 3.5Å; R38-D63 PolarHBondContact NH1-OD1 3.08Å; R38-D63 IonicContact NH1-OD2 3.15Å; R38-D63 PolarHBondContact NH1-OD2 2.76Å; R38-D63 IonicContact NH2-OD1 3.92Å; R38-D63 PolarHBondContact NH2-OD1 2.7Å; R38-D63 IonicContact NH2-OD2 2.74Å
39	P	91.5	Very high	96.9	Very high	55 Å²	55	47.5 Å²	47.5	36%	0.357	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49	132.4	-176.7	-27.6	35	0	0	0	112.8	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.21Å; P39-E113 WeakPolarHBondContact CB-O 3.21Å; P39-E113 VanDerWaalsContact CG-O 3.27Å; P39-E113 WeakPolarHBondContact CG-O 3.33Å; P39-G115 WeakPolarHBondContact CG-O 3.48Å
40	G	90.5	Very high	96.9	Very high	90 Å²	90	47.5 Å²	47.5	93%	0.928	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	2.5	-177	0	0	0	0	0	116	R38	R38-G40 PolarHBondContact O-N 3.03Å
41	R	92.8	Very high	96.9	Very high	210 Å²	210	48.4 Å²	48.4	79%	0.792	26%	0.26	S	S	*	.	S	Bend	trans	-124.4	22.8	-179.8	-58.1	-175.9	-178.7	-178.2	0.7	113.6	R38 P39	R38-R41 HydrophobicContact CB-CB 4.14Å; R38-R41 WeakPolarHBondContact CD-O 3.4Å; R38-R41 HydrophobicContact CG-CB 4.23Å; R38-R41 PolarHBondContact NE-O 3.22Å; R38-R41 PolarHBondContact O-N 3.19Å; P39-R41 PolarHBondContact O-N 3.21Å
42	G	91.9	Very high	96.9	Very high	57 Å²	57	48 Å²	48	59%	0.588	26%	0.258	S	S	*	.			trans	98	-168.5	178.9	0	0	0	0	0	114.1
43	E	94.9	Very high	96.8	Very high	82 Å²	82	45.4 Å²	45.4	38%	0.383	25%	0.248	S	C	.	.	S	Bend	trans	-68.5	154.6	-179.3	-72	-69.5	177.8	0	0	112.3	R38 R45 R99 R103	R38-E43 VanDerWaalsContact CZ-O 3.26Å; R38-E43 PolarHBondContact NE-O 2.83Å; R38-E43 PolarHBondContact NH2-O 2.85Å; E43-R45 PolarHBondContact O-N 2.8Å; E43-R99 VanDerWaalsContact CD-CZ 3.42Å; E43-R99 IonicContact OE1-CZ 2.68Å; E43-R99 IonicContact OE1-NH1 2.76Å; E43-R99 WeakPolarHBondContact OE2-CD 3.35Å; E43-R99 IonicContact OE2-CZ 3.77Å; E43-R99 IonicContact OE2-NE 3.7Å; E43-R99 PolarHBondContact OE2-NE 3.3Å; E43-R99 IonicContact OE2-NH1 3.38Å; E43-R99 IonicContact OE2-NH2 3.59Å; E43-R103 IonicContact OE1-NH2 3.43Å; E43-R103 IonicContact OE2-NH2 3.37Å
44	P	96.9	Very high	96.6	Very high	19 Å²	19	48 Å²	48	12%	0.123	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-51.9	136.3	177	-26.5	35	0	0	0	112.7	M36 R99 L102	M36-P44 CarbonylContact O-C 3.49Å; M36-P44 WeakPolarHBondContact O-CA 3.36Å; M36-P44 WeakPolarHBondContact O-CB 3.25Å; P44-R99 HydrophobicContact CG-CB 4.42Å; P44-R99 HydrophobicContact CG-CG 4.25Å; P44-L102 HydrophobicContact CB-CD1 3.73Å; P44-L102 HydrophobicContact CG-CD1 3.97Å
45	R	98.1	Very high	96.6	Very high	84 Å²	84	46.7 Å²	46.7	32%	0.317	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	129.6	173.3	-177.4	-178.3	-175.1	178.7	-2.1	109	A35 M36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.56Å; A35-R45 VanDerWaalsContact CA-O 3.3Å; A35-R45 WeakPolarHBondContact CA-O 3.49Å; M36-R45 HydrophobicContact CE-CB 4.48Å; M36-R45 HydrophobicContact CE-CG 4.46Å; M36-R45 PolarHBondContact N-O 2.82Å; M36-R45 PolarHBondContact O-N 2.94Å; E43-R45 PolarHBondContact O-N 2.8Å; R45-I47 HydrophobicContact CG-CG1 4.32Å; R45-D61 IonicContact CZ-OD1 2.69Å; R45-D61 IonicContact CZ-OD2 3.99Å; R45-D61 IonicContact NE-OD1 2.73Å; R45-D61 PolarHBondContact NE-OD1 3.44Å; R45-D61 IonicContact NE-OD2 3.63Å; R45-D61 VanDerWaalsContact NH2-CG 3.31Å; R45-D61 IonicContact NH2-OD1 3.15Å; R45-D61 PolarHBondContact NH2-OD1 2.92Å; R45-D61 VanDerWaalsContact NH2-OD1 3.15Å; R45-D61 IonicContact NH2-OD2 3.89Å; R45-D61 PolarHBondContact NH2-OD2 2.86Å; R45-S62 WeakPolarHBondContact CA-OG 3.47Å; R45-D63 VanDerWaalsContact CD-OD2 3.27Å; R45-D63 WeakPolarHBondContact CD-OD2 3.45Å; R45-D63 HydrophobicContact CG-CB 4.38Å; R45-D63 IonicContact NE-OD2 3.24Å
46	F	98.6	Very high	96.5	Very high	3 Å²	3	48.2 Å²	48.2	1%	0.013	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.2	175.4	178	-95.2	0	0	0	109.9	Y33 A35 A48 F60 S62 N94 T95 Y98	Y33-F46 HydrophobicContact CD1-CZ 4.34Å; Y33-F46 HydrophobicContact CD2-CE2 4Å; Y33-F46 AromaticContact CD2-CZ 3.68Å; Y33-F46 HydrophobicContact CD2-CZ 3.68Å; Y33-F46 HydrophobicContact CE2-CZ 4.15Å; Y33-F46 HydrophobicContact CG-CE2 4.12Å; Y33-F46 AromaticContact CG-CZ 3.79Å; Y33-F46 HydrophobicContact CG-CZ 3.79Å; A35-F46 HydrophobicContact CB-CD2 4.23Å; F46-A48 HydrophobicContact CE1-CB 3.85Å; F46-A48 HydrophobicContact CZ-CB 4.09Å; F46-F60 AromaticContact CD1-CD1 3.84Å; F46-F60 HydrophobicContact CD1-CD1 3.84Å; F46-F60 AromaticContact CD1-CE1 3.93Å; F46-F60 HydrophobicContact CD1-CE1 3.93Å; F46-F60 HydrophobicContact CE1-CD1 4.14Å; F46-F60 HydrophobicContact CE1-CE1 4.48Å; F46-S62 PolarHBondContact N-OG 3.34Å; F46-S62 PolarHBondContact O-N 2.92Å; F46-S62 PolarHBondContact O-OG 2.94Å; F46-N94 HydrophobicContact CE1-CB 4.18Å; F46-N94 HydrophobicContact CE2-CB 4.12Å; F46-N94 HydrophobicContact CZ-CB 3.67Å; F46-T95 HydrophobicContact CB-CG2 3.98Å; F46-T95 VanDerWaalsContact CD1-OG1 3.31Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.24Å; F46-Y98 HydrophobicContact CD2-CD1 4.36Å; F46-Y98 HydrophobicContact CD2-CD2 4.29Å; F46-Y98 HydrophobicContact CD2-CG 4Å; F46-Y98 HydrophobicContact CE2-CD1 4.2Å; F46-Y98 AromaticContact CE2-CD2 3.78Å; F46-Y98 HydrophobicContact CE2-CD2 3.78Å; F46-Y98 HydrophobicContact CE2-CE1 4.4Å; F46-Y98 AromaticContact CE2-CE2 3.99Å; F46-Y98 HydrophobicContact CE2-CE2 3.99Å; F46-Y98 AromaticContact CE2-CG 3.88Å; F46-Y98 HydrophobicContact CE2-CG 3.88Å
47	I	98.8	Very high	96.5	Very high	29 Å²	29	45.3 Å²	45.3	15%	0.149	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.8	174.5	-57.5	176.2	0	0	0	107.5	Y33 T34 M36 R45 V49 F60	Y33-I47 WeakPolarHBondContact CA-O 3.37Å; T34-I47 PolarHBondContact N-O 3.49Å; T34-I47 PolarHBondContact O-N 3.47Å; M36-I47 HydrophobicContact CE-CD1 3.88Å; M36-I47 HydrophobicContact CE-CG1 4.36Å; R45-I47 HydrophobicContact CG-CG1 4.32Å; I47-V49 HydrophobicContact CG2-CG1 4.49Å; I47-F60 WeakPolarHBondContact CA-O 3.48Å
48	A	98.8	Very high	96.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	137.9	168.8	0	0	0	0	0	109.8	F32 Y33 F46 R59 F60	F32-A48 WeakPolarHBondContact O-CA 3.29Å; Y33-A48 HydrophobicContact CD1-CB 3.42Å; Y33-A48 VanDerWaalsContact CD1-CB 3.42Å; Y33-A48 HydrophobicContact CE1-CB 3.55Å; Y33-A48 HydrophobicContact CG-CB 4.26Å; F46-A48 HydrophobicContact CE1-CB 3.85Å; F46-A48 HydrophobicContact CZ-CB 4.09Å; A48-R59 CarbonylContact O-C 3.56Å; A48-R59 WeakPolarHBondContact O-CA 3.2Å; A48-F60 HydrophobicContact CB-CB 4.27Å; A48-F60 PolarHBondContact N-O 3.16Å; A48-F60 PolarHBondContact O-N 3.06Å
49	V	98.8	Very high	96.7	Very high	22 Å²	22	44.1 Å²	44.1	13%	0.133	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	144.3	171.3	-66.3	0	0	0	0	109.6	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.48Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.41Å; F32-V49 PolarHBondContact N-O 2.84Å; F32-V49 PolarHBondContact O-N 3.47Å; I47-V49 HydrophobicContact CG2-CG1 4.49Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.33Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; V49-Q56 HydrophobicContact CB-CG 4.49Å; V49-V58 WeakPolarHBondContact CA-O 3.4Å; V49-R59 HydrophobicContact CG1-CB 4.49Å; V49-R59 HydrophobicContact CG1-CG 4.14Å
50	G	98.7	Very high	97	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.4	175.9	0	0	0	0	0	110.5	Q56 F57 V58	G50-Q56 WeakPolarHBondContact O-CA 3.47Å; G50-Q56 WeakPolarHBondContact O-CG 3.49Å; G50-F57 WeakPolarHBondContact O-CD1 3.44Å; G50-F57 PolarHBondContact O-N 3.02Å; G50-V58 PolarHBondContact N-O 2.9Å; G50-V58 PolarHBondContact O-N 3.37Å
51	Y	98.7	Very high	97.4	Very high	72 Å²	72	38.4 Å²	38.4	28%	0.282	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	141.4	179.1	-78	-103.6	0	0	0	110.7	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.24Å; R30-Y51 PolarHBondContact N-O 3.49Å; R30-Y51 PolarHBondContact O-N 2.98Å; F32-Y51 HydrophobicContact CD2-CD2 4.03Å; F32-Y51 HydrophobicContact CE2-CD2 4.08Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.33Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; Y51-T55 WeakPolarHBondContact CA-O 3.36Å; Y51-Q56 HydrophobicContact CD1-CB 4.01Å; Y51-Q56 HydrophobicContact CD2-CB 4.39Å; Y51-Q56 HydrophobicContact CD2-CG 4.14Å; Y51-Q56 HydrophobicContact CE1-CB 3.58Å; Y51-Q56 HydrophobicContact CE1-CG 4.24Å; Y51-Q56 HydrophobicContact CE2-CB 4Å; Y51-Q56 HydrophobicContact CE2-CG 3.7Å; Y51-Q56 HydrophobicContact CG-CB 4.39Å
52	V	98.4	Very high	97.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118	156.7	177	0	0	0	0	106.3	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.55Å; S28-V52 VanDerWaalsContact O-CA 3.32Å; S28-V52 WeakPolarHBondContact O-CA 3.13Å; M29-V52 HydrophobicContact CG-CG2 4.37Å; V52-D54 PolarHBondContact O-N 2.47Å; V52-T55 PolarHBondContact N-O 3.37Å; V52-T55 WeakPolarHBondContact O-CA 3.49Å; V52-T55 WeakPolarHBondContact O-CB 3.32Å; V52-T55 PolarHBondContact O-N 3.13Å; V52-F57 HydrophobicContact CG2-CD1 3.98Å; V52-F57 HydrophobicContact CG2-CE1 3.95Å; V52-W75 HydrophobicContact CB-CH2 4.38Å; V52-W75 HydrophobicContact CB-CZ2 4.44Å; V52-W75 HydrophobicContact CG2-CH2 3.89Å; V52-W75 HydrophobicContact CG2-CZ2 4.44Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; V52-Y195 HydrophobicContact CG2-CD2 3.93Å; V52-Y195 HydrophobicContact CG2-CG 4.46Å; V52-L196 HydrophobicContact CG1-CD2 4Å; V52-L203 HydrophobicContact CB-CD1 4.28Å; V52-L203 HydrophobicContact CB-CD2 4.2Å; V52-L203 HydrophobicContact CG1-CD1 3.91Å; V52-L203 HydrophobicContact CG1-CD2 4.14Å
53	D	96.7	Very high	97.9	Very high	30 Å²	30	30.1 Å²	30.1	16%	0.16	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	-130.4	-165.1	-49.2	-42.6	0	0	0	110.4	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.29Å; H27-D53 WeakPolarHBondContact CA-OD1 3.49Å; H27-D53 IonicContact CE1-OD2 2.69Å; H27-D53 IonicContact CG-OD2 2.76Å; H27-D53 IonicContact ND1-OD1 3.46Å; H27-D53 IonicContact ND1-OD2 3.53Å; H27-D53 PolarHBondContact ND1-OD2 2.79Å; S28-D53 PolarHBondContact N-OD1 3.15Å; S28-D53 PolarHBondContact O-N 2.9Å; S28-D53 PolarHBondContact OG-OD1 2.95Å; D53-T55 VanDerWaalsContact C-N 3.26Å; D53-T55 PolarHBondContact O-N 3.38Å
54	D	96.5	Very high	98	Very high	60 Å²	60	28.4 Å²	28.4	32%	0.321	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	5.4	176.9	-61.6	-60.3	0	0	0	114.2	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.47Å; D54-Y233 HydrophobicContact CB-CE2 3.93Å; D54-P234 VanDerWaalsContact OD2-CB 3.24Å; D54-P234 WeakPolarHBondContact OD2-CB 3.02Å; D54-A235 HydrophobicContact CB-CB 4.32Å; D54-A235 VanDerWaalsContact CG-CB 3.46Å; D54-A235 WeakPolarHBondContact OD1-CB 3.3Å; D54-A235 WeakPolarHBondContact OD2-CB 3.21Å; D54-A235 PolarHBondContact OD2-N 2.5Å; D54-F265 HydrophobicContact CB-CE2 3.74Å; D54-F265 HydrophobicContact CB-CZ 3.76Å
55	T	96.8	Very high	98	Very high	12 Å²	12	33.2 Å²	33.2	7%	0.074	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	108.7	-176.8	-55.6	0	0	0	0	111.5	Y51 V52 D53 F57 L203 Y233 R263	Y51-T55 WeakPolarHBondContact CA-O 3.36Å; V52-T55 PolarHBondContact N-O 3.37Å; V52-T55 WeakPolarHBondContact O-CA 3.49Å; V52-T55 WeakPolarHBondContact O-CB 3.32Å; V52-T55 PolarHBondContact O-N 3.13Å; D53-T55 VanDerWaalsContact C-N 3.26Å; D53-T55 PolarHBondContact O-N 3.38Å; T55-F57 PolarHBondContact O-N 2.85Å; T55-L203 HydrophobicContact CG2-CD2 4.05Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.15Å; T55-Y233 PolarHBondContact OG1-OH 2.96Å; T55-R263 PolarHBondContact OG1-NE 2.81Å; T55-R263 PolarHBondContact OG1-NH2 3.48Å
56	Q	97.8	Very high	97.9	Very high	32 Å²	32	33 Å²	33	15%	0.15	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	131.2	171.7	-163	-168.7	-25.9	0	0	110.3	V49 G50 Y51 V58 W72	V49-Q56 HydrophobicContact CB-CG 4.49Å; G50-Q56 WeakPolarHBondContact O-CA 3.47Å; G50-Q56 WeakPolarHBondContact O-CG 3.49Å; Y51-Q56 HydrophobicContact CD1-CB 4.01Å; Y51-Q56 HydrophobicContact CD2-CB 4.39Å; Y51-Q56 HydrophobicContact CD2-CG 4.14Å; Y51-Q56 HydrophobicContact CE1-CB 3.58Å; Y51-Q56 HydrophobicContact CE1-CG 4.24Å; Y51-Q56 HydrophobicContact CE2-CB 4Å; Y51-Q56 HydrophobicContact CE2-CG 3.7Å; Y51-Q56 HydrophobicContact CG-CB 4.39Å; Q56-V58 PolarHBondContact NE2-O 3.38Å; Q56-W72 HydrophobicContact CG-CB 4.4Å; Q56-W72 HydrophobicContact CG-CG 4.31Å
57	F	98.1	Very high	97.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	-21.6	-178	74.6	-83.9	0	0	0	114.9	M29 Y31 G50 V52 T55 W72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.38Å; M29-F57 HydrophobicContact SD-CZ 4.21Å; Y31-F57 HydrophobicContact CE1-CZ 4.15Å; Y31-F57 AromaticContact CZ-CZ 3.84Å; G50-F57 WeakPolarHBondContact O-CD1 3.44Å; G50-F57 PolarHBondContact O-N 3.02Å; V52-F57 HydrophobicContact CG2-CD1 3.98Å; V52-F57 HydrophobicContact CG2-CE1 3.95Å; T55-F57 PolarHBondContact O-N 2.85Å; F57-W72 PolarHBondContact O-N 3.21Å; F57-A73 HydrophobicContact CB-CB 4.15Å; F57-W75 HydrophobicContact CB-CH2 3.19Å; F57-W75 HydrophobicContact CB-CZ2 3.38Å; F57-W75 HydrophobicContact CB-CZ3 3.99Å; F57-W75 HydrophobicContact CD1-CH2 4.04Å; F57-W75 AromaticContact CD2-CH2 3.79Å; F57-W75 HydrophobicContact CD2-CH2 3.79Å; F57-W75 HydrophobicContact CD2-CZ3 4.06Å; F57-W75 AromaticContact CG-CH2 3.44Å; F57-W75 HydrophobicContact CG-CH2 3.44Å; F57-W75 VanDerWaalsContact CG-CH2 3.44Å; F57-W75 HydrophobicContact CG-CZ2 4.1Å; F57-W75 HydrophobicContact CG-CZ3 4.16Å; F57-I76 HydrophobicContact CD2-CB 4.42Å; F57-I76 HydrophobicContact CD2-CD1 3.94Å; F57-I76 HydrophobicContact CD2-CG1 4.03Å; F57-I76 HydrophobicContact CE2-CD1 4.26Å; F57-I76 WeakPolarHBondContact O-CG2 3.4Å; F57-Y195 HydrophobicContact CD2-CE2 4.39Å; F57-Y195 HydrophobicContact CE2-CD2 4.1Å; F57-Y195 AromaticContact CE2-CE2 3.5Å; F57-Y195 HydrophobicContact CE2-CE2 3.5Å; F57-Y195 AromaticContact CE2-CZ 3.81Å; F57-Y195 HydrophobicContact CZ-CD2 4.12Å; F57-Y195 AromaticContact CZ-CE2 3.61Å; F57-Y195 HydrophobicContact CZ-CE2 3.61Å
58	V	98.5	Very high	97.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	157	175.8	-73.3	0	0	0	0	113.1	Y31 V49 G50 Q56 M69 A70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 4.07Å; V49-V58 WeakPolarHBondContact CA-O 3.4Å; G50-V58 PolarHBondContact N-O 2.9Å; G50-V58 PolarHBondContact O-N 3.37Å; Q56-V58 PolarHBondContact NE2-O 3.38Å; V58-M69 HydrophobicContact CB-CG 4.14Å; V58-M69 HydrophobicContact CB-SD 3.75Å; V58-M69 HydrophobicContact CG1-CG 4.18Å; V58-M69 HydrophobicContact CG1-SD 4.43Å; V58-M69 HydrophobicContact CG2-SD 4.13Å; V58-A70 WeakPolarHBondContact CA-O 3.3Å; V58-I76 HydrophobicContact CG1-CG1 4.29Å; V58-W84 HydrophobicContact CG1-CH2 4.09Å; V58-W84 HydrophobicContact CG1-CZ3 3.93Å
59	R	98.5	Very high	97.8	Very high	69 Å²	69	40.9 Å²	40.9	26%	0.26	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	140.1	172.5	-173.6	176.7	176	93.9	8.4	112	A48 V49 D61 M69 A70 W72	A48-R59 CarbonylContact O-C 3.56Å; A48-R59 WeakPolarHBondContact O-CA 3.2Å; V49-R59 HydrophobicContact CG1-CB 4.49Å; V49-R59 HydrophobicContact CG1-CG 4.14Å; R59-D61 IonicContact CZ-OD2 3.78Å; R59-D61 IonicContact NE-OD2 3.42Å; R59-D61 IonicContact NH2-OD2 3.04Å; R59-D61 PolarHBondContact NH2-OD2 3.15Å; R59-M69 VanDerWaalsContact C-SD 3.54Å; R59-A70 PolarHBondContact N-O 2.92Å; R59-A70 PolarHBondContact O-N 2.8Å; R59-W72 HydrophobicContact CB-CD2 4.33Å; R59-W72 HydrophobicContact CB-CE3 3.72Å; R59-W72 HydrophobicContact CB-CZ3 4.06Å; R59-W72 HydrophobicContact CG-CZ3 4.44Å
60	F	98.8	Very high	97.7	Very high	3 Å²	3	41.7 Å²	41.7	1%	0.013	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144	163.5	179.8	-85.2	0	0	0	109.9	F46 I47 A48 P67 R68 M69 S91 K92	F46-F60 AromaticContact CD1-CD1 3.84Å; F46-F60 HydrophobicContact CD1-CD1 3.84Å; F46-F60 AromaticContact CD1-CE1 3.93Å; F46-F60 HydrophobicContact CD1-CE1 3.93Å; F46-F60 HydrophobicContact CE1-CD1 4.14Å; F46-F60 HydrophobicContact CE1-CE1 4.48Å; I47-F60 WeakPolarHBondContact CA-O 3.48Å; A48-F60 HydrophobicContact CB-CB 4.27Å; A48-F60 PolarHBondContact N-O 3.16Å; A48-F60 PolarHBondContact O-N 3.06Å; F60-P67 HydrophobicContact CE1-CB 4.48Å; F60-P67 HydrophobicContact CE2-CB 3.84Å; F60-P67 HydrophobicContact CZ-CB 3.63Å; F60-R68 VanDerWaalsContact CD2-C 3.5Å; F60-M69 HydrophobicContact CB-CE 4.35Å; F60-M69 HydrophobicContact CB-SD 3.94Å; F60-S91 VanDerWaalsContact CG-CB 3.48Å; F60-K92 HydrophobicContact CE2-CG 4.24Å; F60-K92 HydrophobicContact CZ-CG 4.13Å
61	D	98.6	Very high	97.7	Very high	22 Å²	22	44.1 Å²	44.1	12%	0.118	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	120.7	175.9	-155.1	-43	0	0	0	109.6	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 2.69Å; R45-D61 IonicContact CZ-OD2 3.99Å; R45-D61 IonicContact NE-OD1 2.73Å; R45-D61 PolarHBondContact NE-OD1 3.44Å; R45-D61 IonicContact NE-OD2 3.63Å; R45-D61 VanDerWaalsContact NH2-CG 3.31Å; R45-D61 IonicContact NH2-OD1 3.15Å; R45-D61 PolarHBondContact NH2-OD1 2.92Å; R45-D61 VanDerWaalsContact NH2-OD1 3.15Å; R45-D61 IonicContact NH2-OD2 3.89Å; R45-D61 PolarHBondContact NH2-OD2 2.86Å; R59-D61 IonicContact CZ-OD2 3.78Å; R59-D61 IonicContact NE-OD2 3.42Å; R59-D61 IonicContact NH2-OD2 3.04Å; R59-D61 PolarHBondContact NH2-OD2 3.15Å; D61-D63 PolarHBondContact O-N 3.36Å; D61-D63 PolarHBondContact OD1-N 3.42Å; D61-A64 WeakPolarHBondContact O-CB 3.46Å; D61-A64 PolarHBondContact O-N 2.83Å
62	S	98.2	Very high	97.5	Very high	25 Å²	25	47.6 Å²	47.6	18%	0.175	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-21.2	-177.2	69.1	0	0	0	0	113.7	R45 F46	R45-S62 WeakPolarHBondContact CA-OG 3.47Å; F46-S62 PolarHBondContact N-OG 3.34Å; F46-S62 PolarHBondContact O-N 2.92Å; F46-S62 PolarHBondContact O-OG 2.94Å
63	D	97.3	Very high	97.4	Very high	69 Å²	69	47.9 Å²	47.9	37%	0.369	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-1.4	-179.4	-76.5	9.7	0	0	0	112.8	R38 R45 D61	R38-D63 IonicContact CZ-OD1 2.78Å; R38-D63 IonicContact CZ-OD2 3.83Å; R38-D63 IonicContact NH1-OD1 3.5Å; R38-D63 PolarHBondContact NH1-OD1 3.08Å; R38-D63 IonicContact NH1-OD2 3.15Å; R38-D63 PolarHBondContact NH1-OD2 2.76Å; R38-D63 IonicContact NH2-OD1 3.92Å; R38-D63 PolarHBondContact NH2-OD1 2.7Å; R38-D63 IonicContact NH2-OD2 2.74Å; R45-D63 VanDerWaalsContact CD-OD2 3.27Å; R45-D63 WeakPolarHBondContact CD-OD2 3.45Å; R45-D63 HydrophobicContact CG-CB 4.38Å; R45-D63 IonicContact NE-OD2 3.24Å; D61-D63 PolarHBondContact O-N 3.36Å; D61-D63 PolarHBondContact OD1-N 3.42Å
64	A	97	Very high	97.4	Very high	46 Å²	46	51.4 Å²	51.4	38%	0.38	30%	0.295	S	S	.	.	S	Bend	trans	-63.9	147.8	172.8	0	0	0	0	0	111.1	D61 S66 P67	D61-A64 WeakPolarHBondContact O-CB 3.46Å; D61-A64 PolarHBondContact O-N 2.83Å; A64-S66 PolarHBondContact O-N 2.81Å; A64-S66 VanDerWaalsContact O-N 3.12Å; A64-P67 VanDerWaalsContact O-CD 3.22Å; A64-P67 WeakPolarHBondContact O-CD 3.38Å; A64-P67 VanDerWaalsContact O-CG 3.3Å; A64-P67 WeakPolarHBondContact O-CG 3.2Å
65	A	96.4	Very high	97.4	Very high	119 Å²	119	49.4 Å²	49.4	98%	0.983	28%	0.283	S	S	*	.	S	Bend	trans	-60.7	-25	179.8	0	0	0	0	0	113.7
66	S	95.9	Very high	97.4	Very high	80 Å²	80	48.9 Å²	48.9	56%	0.559	28%	0.279	S	S	*	.	S	Bend	trans	-138.6	89.3	170.2	-174.8	0	0	0	0	108.5	A64 R68	A64-S66 PolarHBondContact O-N 2.81Å; A64-S66 VanDerWaalsContact O-N 3.12Å; S66-R68 PolarHBondContact O-N 3.45Å; S66-R68 VanDerWaalsContact O-N 3.09Å
67	P	97.1	Very high	97.4	Very high	37 Å²	37	53.2 Å²	53.2	24%	0.24	30%	0.3	C	S	.	.			trans	-64.2	112.6	-175.4	-24.2	35.5	0	0	0	111.6	F60 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.48Å; F60-P67 HydrophobicContact CE2-CB 3.84Å; F60-P67 HydrophobicContact CZ-CB 3.63Å; A64-P67 VanDerWaalsContact O-CD 3.22Å; A64-P67 WeakPolarHBondContact O-CD 3.38Å; A64-P67 VanDerWaalsContact O-CG 3.3Å; A64-P67 WeakPolarHBondContact O-CG 3.2Å; P67-K92 WeakPolarHBondContact O-CE 3.33Å; P67-K92 PolarHBondContact O-NZ 2.82Å
68	R	98	Very high	97.3	Very high	149 Å²	149	59 Å²	59	56%	0.562	33%	0.327	S	S	*	.			trans	-142.1	155.2	176.9	-65.6	-169.3	175.9	-151.3	-5	109.3	F60 S66 A70 T88	F60-R68 VanDerWaalsContact CD2-C 3.5Å; S66-R68 PolarHBondContact O-N 3.45Å; S66-R68 VanDerWaalsContact O-N 3.09Å; R68-A70 PolarHBondContact O-N 3.25Å; R68-T88 HydrophobicContact CB-CG2 4.34Å; R68-T88 HydrophobicContact CG-CG2 4.22Å
69	M	98.3	Very high	97.2	Very high	11 Å²	11	59.6 Å²	59.6	5%	0.054	33%	0.33	C	S	.	.			trans	-69	128.5	166.4	-169.6	65.7	86.4	0	0	107.9	V58 R59 F60 W84 E87 T88 S91	V58-M69 HydrophobicContact CB-CG 4.14Å; V58-M69 HydrophobicContact CB-SD 3.75Å; V58-M69 HydrophobicContact CG1-CG 4.18Å; V58-M69 HydrophobicContact CG1-SD 4.43Å; V58-M69 HydrophobicContact CG2-SD 4.13Å; R59-M69 VanDerWaalsContact C-SD 3.54Å; F60-M69 HydrophobicContact CB-CE 4.35Å; F60-M69 HydrophobicContact CB-SD 3.94Å; M69-W84 HydrophobicContact CB-CE3 4.28Å; M69-W84 HydrophobicContact CG-CE3 4.21Å; M69-W84 HydrophobicContact CG-CZ3 4.03Å; M69-E87 HydrophobicContact CB-CB 4.02Å; M69-E87 HydrophobicContact CE-CB 4.12Å; M69-E87 HydrophobicContact CG-CB 3.96Å; M69-T88 PolarHBondContact N-OG1 2.66Å; M69-S91 VanDerWaalsContact CE-OG 3.23Å; M69-S91 WeakPolarHBondContact CE-OG 3.32Å
70	A	97.7	Very high	97.2	Very high	39 Å²	39	58 Å²	58	32%	0.322	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	144.8	-179	0	0	0	0	0	110.8	V58 R59 R68	V58-A70 WeakPolarHBondContact CA-O 3.3Å; R59-A70 PolarHBondContact N-O 2.92Å; R59-A70 PolarHBondContact O-N 2.8Å; R68-A70 PolarHBondContact O-N 3.25Å
71	P	97.9	Very high	97.1	Very high	51 Å²	51	62.7 Å²	62.7	33%	0.331	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	149.8	170.4	28.6	-34.6	0	0	0	111	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.68Å; P71-E77 HydrophobicContact CB-CG 3.74Å; P71-E77 HydrophobicContact CG-CG 4.03Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 4.03Å; P71-W84 HydrophobicContact CB-CZ3 4.46Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.46Å
72	W	96.2	Very high	97.1	Very high	146 Å²	146	69.6 Å²	69.6	55%	0.553	40%	0.397	S	S	*	.			trans	-134.1	-1.1	175.5	-141.8	-94.2	0	0	0	113.2	Q56 F57 R59	Q56-W72 HydrophobicContact CG-CB 4.4Å; Q56-W72 HydrophobicContact CG-CG 4.31Å; F57-W72 PolarHBondContact O-N 3.21Å; R59-W72 HydrophobicContact CB-CD2 4.33Å; R59-W72 HydrophobicContact CB-CE3 3.72Å; R59-W72 HydrophobicContact CB-CZ3 4.06Å; R59-W72 HydrophobicContact CG-CZ3 4.44Å
73	A	95.8	Very high	97	Very high	6 Å²	6	68.9 Å²	68.9	5%	0.05	39%	0.39	C	S	.	.	S	Bend	trans	-139.8	143.7	172.9	0	0	0	0	0	110.3	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.15Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.31Å; A73-W75 HydrophobicContact CB-CG 4.46Å; A73-W75 HydrophobicContact CB-CZ2 4.19Å; A73-W75 PolarHBondContact O-N 2.92Å; A73-I76 WeakPolarHBondContact O-CG2 3.49Å; A73-I76 PolarHBondContact O-N 2.88Å
74	P	96.3	Very high	97.1	Very high	104 Å²	104	67.5 Å²	67.5	68%	0.675	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-59.2	-35	-174.7	-26.7	35.3	0	0	0	114.3	I76 E77	P74-I76 PolarHBondContact O-N 3.34Å; P74-E77 WeakPolarHBondContact O-CB 3.21Å; P74-E77 PolarHBondContact O-N 3.01Å; P74-E77 VanDerWaalsContact O-N 3.14Å
75	W	96.4	Very high	97.2	Very high	18 Å²	18	69.8 Å²	69.8	7%	0.068	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-70.7	-13.2	-176.4	55.3	-107.6	0	0	0	114.5	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.38Å; V52-W75 HydrophobicContact CB-CZ2 4.44Å; V52-W75 HydrophobicContact CG2-CH2 3.89Å; V52-W75 HydrophobicContact CG2-CZ2 4.44Å; F57-W75 HydrophobicContact CB-CH2 3.19Å; F57-W75 HydrophobicContact CB-CZ2 3.38Å; F57-W75 HydrophobicContact CB-CZ3 3.99Å; F57-W75 HydrophobicContact CD1-CH2 4.04Å; F57-W75 AromaticContact CD2-CH2 3.79Å; F57-W75 HydrophobicContact CD2-CH2 3.79Å; F57-W75 HydrophobicContact CD2-CZ3 4.06Å; F57-W75 AromaticContact CG-CH2 3.44Å; F57-W75 HydrophobicContact CG-CH2 3.44Å; F57-W75 VanDerWaalsContact CG-CH2 3.44Å; F57-W75 HydrophobicContact CG-CZ2 4.1Å; F57-W75 HydrophobicContact CG-CZ3 4.16Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.31Å; A73-W75 HydrophobicContact CB-CG 4.46Å; A73-W75 HydrophobicContact CB-CZ2 4.19Å; A73-W75 PolarHBondContact O-N 2.92Å; W75-Q78 WeakPolarHBondContact O-CG 3.32Å; W75-Q78 PolarHBondContact O-NE2 3.02Å; W75-Y195 HydrophobicContact CE3-CD1 4.49Å; W75-Y195 HydrophobicContact CH2-CD2 4.5Å; W75-Y195 HydrophobicContact CH2-CG 4.13Å; W75-Y195 AromaticContact CZ3-CD1 3.75Å; W75-Y195 HydrophobicContact CZ3-CD1 3.75Å; W75-Y195 HydrophobicContact CZ3-CD2 4.34Å; W75-Y195 AromaticContact CZ3-CG 3.63Å; W75-Y195 HydrophobicContact CZ3-CG 3.63Å; W75-N198 WeakPolarHBondContact CB-O 3.45Å; W75-L203 HydrophobicContact CD2-CD1 4.39Å; W75-L203 HydrophobicContact CH2-CD1 4.26Å; W75-L203 HydrophobicContact CZ2-CD1 3.76Å; W75-L203 HydrophobicContact CZ2-CD2 4.02Å; W75-L203 HydrophobicContact CZ2-CG 4.3Å
76	I	97.7	Very high	97.2	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-89.3	-19.9	172.7	-164.2	71.8	0	0	0	111.9	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.42Å; F57-I76 HydrophobicContact CD2-CD1 3.94Å; F57-I76 HydrophobicContact CD2-CG1 4.03Å; F57-I76 HydrophobicContact CE2-CD1 4.26Å; F57-I76 WeakPolarHBondContact O-CG2 3.4Å; V58-I76 HydrophobicContact CG1-CG1 4.29Å; P71-I76 HydrophobicContact CB-CG2 3.68Å; A73-I76 WeakPolarHBondContact O-CG2 3.49Å; A73-I76 PolarHBondContact O-N 2.88Å; P74-I76 PolarHBondContact O-N 3.34Å; I76-Q78 PolarHBondContact O-N 3.34Å; I76-Q78 VanDerWaalsContact O-N 3.11Å; I76-E79 HydrophobicContact CD1-CG 3.64Å; I76-E79 HydrophobicContact CG1-CG 4.2Å; I76-E79 WeakPolarHBondContact O-CB 3.29Å; I76-E79 WeakPolarHBondContact O-CG 3.4Å; I76-E79 PolarHBondContact O-N 2.89Å; I76-Y83 HydrophobicContact CD1-CE1 4.12Å; I76-Y83 HydrophobicContact CG1-CE1 4.13Å; I76-W84 HydrophobicContact CB-CH2 4.47Å; I76-W84 HydrophobicContact CG1-CH2 3.77Å; I76-W84 HydrophobicContact CG1-CZ2 4.01Å; I76-W84 HydrophobicContact CG2-CH2 4.03Å; I76-W84 HydrophobicContact CG2-CZ2 4.43Å; I76-W84 WeakPolarHBondContact O-CZ2 3.32Å; I76-Y195 HydrophobicContact CD1-CD1 3.83Å; I76-Y195 HydrophobicContact CD1-CE1 3.3Å
77	E	96.8	Very high	97.3	Very high	124 Å²	124	66.5 Å²	66.5	58%	0.579	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-22.6	-175.9	-63.8	-179	-170.6	0	0	113.6	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.74Å; P71-E77 HydrophobicContact CG-CG 4.03Å; P74-E77 WeakPolarHBondContact O-CB 3.21Å; P74-E77 PolarHBondContact O-N 3.01Å; P74-E77 VanDerWaalsContact O-N 3.14Å; E77-E79 PolarHBondContact O-N 3.49Å
78	Q	95.7	Very high	97.4	Very high	122 Å²	122	65 Å²	65	57%	0.57	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-11.1	174.6	70.1	-171.8	-44	0	0	114.3	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.32Å; W75-Q78 PolarHBondContact O-NE2 3.02Å; I76-Q78 PolarHBondContact O-N 3.34Å; I76-Q78 VanDerWaalsContact O-N 3.11Å; Q78-N198 VanDerWaalsContact NE2-CB 3.33Å
79	E	97.5	Very high	97.4	Very high	12 Å²	12	63.3 Å²	63.3	6%	0.056	33%	0.325	C	S	.	.	S	Bend	trans	-67.3	137.3	176.9	-68.7	-60.9	161.7	0	0	111.6	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.64Å; I76-E79 HydrophobicContact CG1-CG 4.2Å; I76-E79 WeakPolarHBondContact O-CB 3.29Å; I76-E79 WeakPolarHBondContact O-CG 3.4Å; I76-E79 PolarHBondContact O-N 2.89Å; E77-E79 PolarHBondContact O-N 3.49Å; E79-Y83 HydrophobicContact CB-CD1 3.5Å; E79-Y83 HydrophobicContact CB-CE1 4.11Å; E79-Y83 HydrophobicContact CB-CG 3.88Å; E79-Y83 HydrophobicContact CG-CD1 4.03Å; E79-Y83 HydrophobicContact CG-CE1 4.25Å; E79-Y83 HydrophobicContact CG-CG 4.28Å; E79-W84 HydrophobicContact CB-CZ2 4.43Å; E79-W84 PolarHBondContact O-NE1 2.84Å; E79-R194 VanDerWaalsContact CD-NH2 3.32Å; E79-R194 IonicContact OE1-CZ 3.24Å; E79-R194 IonicContact OE1-NE 3.99Å; E79-R194 PolarHBondContact OE1-NE 3.23Å; E79-R194 IonicContact OE1-NH2 3.7Å; E79-R194 PolarHBondContact OE1-NH2 2.73Å; E79-R194 VanDerWaalsContact OE1-NH2 3.15Å; E79-R194 IonicContact OE2-CZ 2.98Å; E79-R194 IonicContact OE2-NE 2.69Å; E79-R194 IonicContact OE2-NH2 2.91Å; E79-R194 PolarHBondContact OE2-NH2 2.88Å; E79-N198 PolarHBondContact OE1-ND2 2.73Å
80	G	97	Very high	97.4	Very high	36 Å²	36	66 Å²	66	37%	0.371	34%	0.339	S	S	.	.			trans	-69.4	166.2	-173.6	0	0	0	0	0	114.2	E82 Y83 W84	G80-E82 PolarHBondContact O-N 3.23Å; G80-E82 VanDerWaalsContact O-N 3.16Å; G80-Y83 WeakPolarHBondContact O-CB 3.4Å; G80-Y83 PolarHBondContact O-N 2.91Å; G80-W84 VanDerWaalsContact O-CD1 3.28Å; G80-W84 PolarHBondContact O-N 3.04Å
81	P	97.6	Very high	97.4	Very high	100 Å²	100	64.1 Å²	64.1	65%	0.649	32%	0.324	S	S	*	.	H	α-helix	trans	-57.3	-33.9	-178.3	23.3	-33.9	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 2.8Å; P81-W84 PolarHBondContact O-N 2.84Å; P81-D85 WeakPolarHBondContact O-CB 3.35Å; P81-D85 PolarHBondContact O-N 2.98Å
82	E	97.8	Very high	97.4	Very high	168 Å²	168	65.7 Å²	65.7	79%	0.785	33%	0.325	S	S	*	.	H	α-helix	trans	-59.3	-36.7	176.9	-62	-178.6	178.9	0	0	113.1	G80 R86	G80-E82 PolarHBondContact O-N 3.23Å; G80-E82 VanDerWaalsContact O-N 3.16Å; E82-R86 WeakPolarHBondContact O-CB 3.4Å; E82-R86 PolarHBondContact O-N 3.02Å
83	Y	97.9	Very high	97.5	Very high	10 Å²	10	62.1 Å²	62.1	4%	0.039	32%	0.32	C	S	.	.	H	α-helix	trans	-65.7	-52.1	174	169.5	-96.8	0	0	0	110.2	I76 E79 G80 P81 D85 R86 E87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.12Å; I76-Y83 HydrophobicContact CG1-CE1 4.13Å; E79-Y83 HydrophobicContact CB-CD1 3.5Å; E79-Y83 HydrophobicContact CB-CE1 4.11Å; E79-Y83 HydrophobicContact CB-CG 3.88Å; E79-Y83 HydrophobicContact CG-CD1 4.03Å; E79-Y83 HydrophobicContact CG-CE1 4.25Å; E79-Y83 HydrophobicContact CG-CG 4.28Å; G80-Y83 WeakPolarHBondContact O-CB 3.4Å; G80-Y83 PolarHBondContact O-N 2.91Å; P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 2.8Å; Y83-D85 PolarHBondContact O-N 2.03Å; Y83-R86 PolarHBondContact O-N 3.29Å; Y83-E87 HydrophobicContact CD1-CG 4.45Å; Y83-E87 HydrophobicContact CD2-CG 3.94Å; Y83-E87 HydrophobicContact CE1-CG 4.13Å; Y83-E87 HydrophobicContact CE2-CG 3.56Å; Y83-E87 HydrophobicContact CG-CG 4.37Å; Y83-E87 WeakPolarHBondContact O-CG 2.95Å; Y83-E87 PolarHBondContact O-N 2.96Å; Y83-W191 AromaticContact CD2-CH2 3.67Å; Y83-W191 HydrophobicContact CD2-CH2 3.67Å; Y83-W191 HydrophobicContact CD2-CZ2 4.29Å; Y83-W191 AromaticContact CD2-CZ3 3.95Å; Y83-W191 HydrophobicContact CD2-CZ3 3.95Å; Y83-W191 HydrophobicContact CE2-CE3 4.47Å; Y83-W191 HydrophobicContact CE2-CH2 4.13Å; Y83-W191 HydrophobicContact CE2-CZ3 4.01Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.27Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.41Å; Y83-Y195 PolarHBondContact OH-OH 2.87Å; Y83-Y195 VanDerWaalsContact OH-OH 3.05Å
84	W	98.4	Very high	97.6	Very high	39 Å²	39	63.1 Å²	63.1	15%	0.148	32%	0.324	C	S	.	.	H	α-helix	trans	-62.1	-39.3	-178.1	-64.4	110.6	0	0	0	113.4	V58 M69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.09Å; V58-W84 HydrophobicContact CG1-CZ3 3.93Å; M69-W84 HydrophobicContact CB-CE3 4.28Å; M69-W84 HydrophobicContact CG-CE3 4.21Å; M69-W84 HydrophobicContact CG-CZ3 4.03Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 4.03Å; P71-W84 HydrophobicContact CB-CZ3 4.46Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.46Å; I76-W84 HydrophobicContact CB-CH2 4.47Å; I76-W84 HydrophobicContact CG1-CH2 3.77Å; I76-W84 HydrophobicContact CG1-CZ2 4.01Å; I76-W84 HydrophobicContact CG2-CH2 4.03Å; I76-W84 HydrophobicContact CG2-CZ2 4.43Å; I76-W84 WeakPolarHBondContact O-CZ2 3.32Å; E79-W84 HydrophobicContact CB-CZ2 4.43Å; E79-W84 PolarHBondContact O-NE1 2.84Å; G80-W84 VanDerWaalsContact O-CD1 3.28Å; G80-W84 PolarHBondContact O-N 3.04Å; P81-W84 PolarHBondContact O-N 2.84Å; W84-T88 WeakPolarHBondContact O-CB 3.37Å; W84-T88 PolarHBondContact O-N 2.74Å; W84-T88 PolarHBondContact O-OG1 2.86Å
85	D	98.3	Very high	97.7	Very high	95 Å²	95	58.9 Å²	58.9	51%	0.508	30%	0.296	S	S	.	.	H	α-helix	trans	-68.9	-41	175.8	-76.9	-26.3	0	0	0	111.4	P81 Y83 Q89	P81-D85 WeakPolarHBondContact O-CB 3.35Å; P81-D85 PolarHBondContact O-N 2.98Å; Y83-D85 PolarHBondContact O-N 2.03Å; D85-Q89 WeakPolarHBondContact O-CB 3.13Å; D85-Q89 PolarHBondContact O-N 3.35Å
86	R	97.9	Very high	97.8	Very high	113 Å²	113	62 Å²	62	43%	0.426	31%	0.312	S	S	.	.	H	α-helix	trans	-62.9	-52.7	175.5	-171.1	-172.6	73.9	-165.9	0	112	E82 Y83 T88 Q89 I90 W191	E82-R86 WeakPolarHBondContact O-CB 3.4Å; E82-R86 PolarHBondContact O-N 3.02Å; Y83-R86 PolarHBondContact O-N 3.29Å; R86-T88 VanDerWaalsContact C-N 3.29Å; R86-T88 PolarHBondContact O-N 2.73Å; R86-Q89 PolarHBondContact O-N 3.14Å; R86-Q89 VanDerWaalsContact O-N 3.08Å; R86-I90 HydrophobicContact CG-CD1 3.99Å; R86-I90 WeakPolarHBondContact O-CG1 3.19Å; R86-I90 PolarHBondContact O-N 2.85Å; R86-W191 VanDerWaalsContact NH2-CZ2 3.3Å
87	E	98.1	Very high	97.8	Very high	16 Å²	16	65 Å²	65	8%	0.075	33%	0.33	C	S	.	.	H	α-helix	trans	-65.9	-32.8	-179.4	-61.2	-43.5	126.6	0	0	112.1	M69 Y83 S91	M69-E87 HydrophobicContact CB-CB 4.02Å; M69-E87 HydrophobicContact CE-CB 4.12Å; M69-E87 HydrophobicContact CG-CB 3.96Å; Y83-E87 HydrophobicContact CD1-CG 4.45Å; Y83-E87 HydrophobicContact CD2-CG 3.94Å; Y83-E87 HydrophobicContact CE1-CG 4.13Å; Y83-E87 HydrophobicContact CE2-CG 3.56Å; Y83-E87 HydrophobicContact CG-CG 4.37Å; Y83-E87 WeakPolarHBondContact O-CG 2.95Å; Y83-E87 PolarHBondContact O-N 2.96Å; E87-S91 WeakPolarHBondContact O-CB 3.31Å; E87-S91 PolarHBondContact O-N 2.93Å; E87-S91 PolarHBondContact O-OG 2.92Å
88	T	98.6	Very high	97.8	Very high	7 Å²	7	59.6 Å²	59.6	4%	0.043	31%	0.305	C	S	.	.	H	α-helix	trans	-62.2	-45.9	169.5	-68.5	0	0	0	0	111.5	R68 M69 W84 R86 S91 K92	R68-T88 HydrophobicContact CB-CG2 4.34Å; R68-T88 HydrophobicContact CG-CG2 4.22Å; M69-T88 PolarHBondContact N-OG1 2.66Å; W84-T88 WeakPolarHBondContact O-CB 3.37Å; W84-T88 PolarHBondContact O-N 2.74Å; W84-T88 PolarHBondContact O-OG1 2.86Å; R86-T88 VanDerWaalsContact C-N 3.29Å; R86-T88 PolarHBondContact O-N 2.73Å; T88-S91 PolarHBondContact O-N 3.44Å; T88-K92 HydrophobicContact CG2-CD 3.99Å; T88-K92 WeakPolarHBondContact O-CG 3.46Å; T88-K92 PolarHBondContact O-N 3.45Å
89	Q	98.4	Very high	97.9	Very high	112 Å²	112	56.2 Å²	56.2	52%	0.523	29%	0.287	S	S	.	.	H	α-helix	trans	-69.8	-37.9	-178.5	-173.3	57.6	23.7	0	0	112	D85 R86 K92 T93	D85-Q89 WeakPolarHBondContact O-CB 3.13Å; D85-Q89 PolarHBondContact O-N 3.35Å; R86-Q89 PolarHBondContact O-N 3.14Å; R86-Q89 VanDerWaalsContact O-N 3.08Å; Q89-K92 PolarHBondContact O-N 3Å; Q89-T93 WeakPolarHBondContact O-CB 3.45Å; Q89-T93 PolarHBondContact O-N 3.07Å; Q89-T93 PolarHBondContact O-OG1 2.94Å
90	I	97.7	Very high	97.9	Very high	67 Å²	67	61.2 Å²	61.2	34%	0.344	31%	0.31	S	S	.	.	H	α-helix	trans	-58.1	-48.9	170.5	-69.8	166.5	0	0	0	110	R86 K92 T93 N94	R86-I90 HydrophobicContact CG-CD1 3.99Å; R86-I90 WeakPolarHBondContact O-CG1 3.19Å; R86-I90 PolarHBondContact O-N 2.85Å; I90-K92 PolarHBondContact O-N 3.39Å; I90-T93 PolarHBondContact O-N 3.36Å; I90-N94 WeakPolarHBondContact CG2-ND2 3.21Å; I90-N94 WeakPolarHBondContact O-CB 3.37Å; I90-N94 PolarHBondContact O-N 3.38Å; I90-N94 PolarHBondContact O-ND2 3.31Å
91	S	98.3	Very high	98	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.6	-37.6	179.8	-57.9	0	0	0	0	113.3	F60 M69 E87 T88 T95	F60-S91 VanDerWaalsContact CG-CB 3.48Å; M69-S91 VanDerWaalsContact CE-OG 3.23Å; M69-S91 WeakPolarHBondContact CE-OG 3.32Å; E87-S91 WeakPolarHBondContact O-CB 3.31Å; E87-S91 PolarHBondContact O-N 2.93Å; E87-S91 PolarHBondContact O-OG 2.92Å; T88-S91 PolarHBondContact O-N 3.44Å; S91-T95 PolarHBondContact O-N 2.98Å; S91-T95 PolarHBondContact O-OG1 3.47Å
92	K	98.1	Very high	98	Very high	84 Å²	84	57 Å²	57	37%	0.365	28%	0.277	S	S	.	.	H	α-helix	trans	-67.3	-40.4	174.1	-75.9	173.6	179.5	172.3	0	112.5	F60 P67 T88 Q89 I90 T95 Q96	F60-K92 HydrophobicContact CE2-CG 4.24Å; F60-K92 HydrophobicContact CZ-CG 4.13Å; P67-K92 WeakPolarHBondContact O-CE 3.33Å; P67-K92 PolarHBondContact O-NZ 2.82Å; T88-K92 HydrophobicContact CG2-CD 3.99Å; T88-K92 WeakPolarHBondContact O-CG 3.46Å; T88-K92 PolarHBondContact O-N 3.45Å; Q89-K92 PolarHBondContact O-N 3Å; I90-K92 PolarHBondContact O-N 3.39Å; K92-T95 WeakPolarHBondContact O-CB 3.46Å; K92-T95 PolarHBondContact O-N 2.91Å; K92-Q96 PolarHBondContact O-N 3.28Å
93	T	98.3	Very high	98	Very high	71 Å²	71	55.2 Å²	55.2	44%	0.436	26%	0.263	S	S	.	.	H	α-helix	trans	-62.7	-49.6	173.6	-57.8	0	0	0	0	110.2	Q89 I90 T95 Q96 T97	Q89-T93 WeakPolarHBondContact O-CB 3.45Å; Q89-T93 PolarHBondContact O-N 3.07Å; Q89-T93 PolarHBondContact O-OG1 2.94Å; I90-T93 PolarHBondContact O-N 3.36Å; T93-T95 VanDerWaalsContact C-N 3.26Å; T93-T95 PolarHBondContact O-N 2.93Å; T93-Q96 WeakPolarHBondContact O-CA 3.36Å; T93-Q96 WeakPolarHBondContact O-CB 3.49Å; T93-Q96 PolarHBondContact O-N 3.45Å; T93-T97 PolarHBondContact O-N 3.44Å; T93-T97 PolarHBondContact O-OG1 3.46Å
94	N	98	Very high	97.9	Very high	27 Å²	27	58.5 Å²	58.5	14%	0.144	28%	0.281	C	S	.	.	H	α-helix	trans	-57.6	-36.7	175.8	-75.8	-38.5	0	0	0	112.6	Y33 F46 I90 Q96 T97 Y98	Y33-N94 HydrophobicContact CE2-CB 4.36Å; Y33-N94 VanDerWaalsContact CE2-ND2 3.29Å; Y33-N94 WeakPolarHBondContact CE2-ND2 3.5Å; Y33-N94 PolarHBondContact OH-ND2 2.92Å; F46-N94 HydrophobicContact CE1-CB 4.18Å; F46-N94 HydrophobicContact CE2-CB 4.12Å; F46-N94 HydrophobicContact CZ-CB 3.67Å; I90-N94 WeakPolarHBondContact CG2-ND2 3.21Å; I90-N94 WeakPolarHBondContact O-CB 3.37Å; I90-N94 PolarHBondContact O-N 3.38Å; I90-N94 PolarHBondContact O-ND2 3.31Å; N94-Q96 PolarHBondContact O-N 2.95Å; N94-T97 PolarHBondContact O-N 2.93Å; N94-Y98 HydrophobicContact CB-CD2 4.35Å; N94-Y98 HydrophobicContact CB-CE2 4.42Å; N94-Y98 WeakPolarHBondContact O-CB 3.46Å; N94-Y98 WeakPolarHBondContact O-CD2 3.47Å; N94-Y98 PolarHBondContact O-N 3.34Å
95	T	97.9	Very high	97.9	Very high	15 Å²	15	57 Å²	57	9%	0.092	28%	0.276	C	S	.	.	H	α-helix	trans	-57.3	-34	173.9	-57.6	0	0	0	0	112.4	F46 S91 K92 T93	F46-T95 HydrophobicContact CB-CG2 3.98Å; F46-T95 VanDerWaalsContact CD1-OG1 3.31Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.24Å; S91-T95 PolarHBondContact O-N 2.98Å; S91-T95 PolarHBondContact O-OG1 3.47Å; K92-T95 WeakPolarHBondContact O-CB 3.46Å; K92-T95 PolarHBondContact O-N 2.91Å; T93-T95 VanDerWaalsContact C-N 3.26Å; T93-T95 PolarHBondContact O-N 2.93Å
96	Q	97.6	Very high	97.9	Very high	84 Å²	84	55.4 Å²	55.4	39%	0.393	26%	0.263	S	S	.	.	H	α-helix	trans	-78.6	-46.9	173.7	-55.3	-49	-54.5	0	0	111.8	K92 T93 N94 Y98 R99 E100	K92-Q96 PolarHBondContact O-N 3.28Å; T93-Q96 WeakPolarHBondContact O-CA 3.36Å; T93-Q96 WeakPolarHBondContact O-CB 3.49Å; T93-Q96 PolarHBondContact O-N 3.45Å; N94-Q96 PolarHBondContact O-N 2.95Å; Q96-Y98 VanDerWaalsContact C-N 3.3Å; Q96-Y98 PolarHBondContact O-N 2.9Å; Q96-R99 WeakPolarHBondContact O-CB 3.47Å; Q96-R99 PolarHBondContact O-N 3.42Å; Q96-R99 VanDerWaalsContact O-N 3.08Å; Q96-R99 VanDerWaalsContact OE1-CZ 3.28Å; Q96-E100 PolarHBondContact O-N 2.92Å
97	T	97.6	Very high	97.9	Very high	63 Å²	63	52 Å²	52	39%	0.387	26%	0.263	S	S	.	.	H	α-helix	trans	-55.7	-43.5	178.8	-51.2	0	0	0	0	111.9	T93 N94 E100 S101	T93-T97 PolarHBondContact O-N 3.44Å; T93-T97 PolarHBondContact O-OG1 3.46Å; N94-T97 PolarHBondContact O-N 2.93Å; T97-E100 PolarHBondContact O-N 3.27Å; T97-S101 WeakPolarHBondContact O-CB 3.34Å; T97-S101 PolarHBondContact O-N 3.37Å; T97-S101 PolarHBondContact O-OG 2.91Å; T97-S101 VanDerWaalsContact O-OG 3.12Å
98	Y	97.9	Very high	97.9	Very high	11 Å²	11	53.9 Å²	53.9	4%	0.043	27%	0.27	C	S	.	.	H	α-helix	trans	-71.2	-31.1	179.1	-82.6	-111.1	0	0	0	112.9	Y33 A35 F46 N94 Q96 E100 S101 L102 L119 R121	Y33-Y98 AromaticContact CD2-CE2 3.95Å; Y33-Y98 HydrophobicContact CD2-CE2 3.95Å; Y33-Y98 AromaticContact CD2-CZ 3.86Å; Y33-Y98 WeakPolarHBondContact CD2-OH 3.34Å; A35-Y98 HydrophobicContact CB-CD1 3.59Å; A35-Y98 HydrophobicContact CB-CG 4.03Å; F46-Y98 HydrophobicContact CD2-CD1 4.36Å; F46-Y98 HydrophobicContact CD2-CD2 4.29Å; F46-Y98 HydrophobicContact CD2-CG 4Å; F46-Y98 HydrophobicContact CE2-CD1 4.2Å; F46-Y98 AromaticContact CE2-CD2 3.78Å; F46-Y98 HydrophobicContact CE2-CD2 3.78Å; F46-Y98 HydrophobicContact CE2-CE1 4.4Å; F46-Y98 AromaticContact CE2-CE2 3.99Å; F46-Y98 HydrophobicContact CE2-CE2 3.99Å; F46-Y98 AromaticContact CE2-CG 3.88Å; F46-Y98 HydrophobicContact CE2-CG 3.88Å; N94-Y98 HydrophobicContact CB-CD2 4.35Å; N94-Y98 HydrophobicContact CB-CE2 4.42Å; N94-Y98 WeakPolarHBondContact O-CB 3.46Å; N94-Y98 WeakPolarHBondContact O-CD2 3.47Å; N94-Y98 PolarHBondContact O-N 3.34Å; Q96-Y98 VanDerWaalsContact C-N 3.3Å; Q96-Y98 PolarHBondContact O-N 2.9Å; Y98-E100 VanDerWaalsContact C-N 3.34Å; Y98-S101 PolarHBondContact O-N 3.49Å; Y98-L102 WeakPolarHBondContact O-CB 3.33Å; Y98-L102 VanDerWaalsContact O-CG 3.26Å; Y98-L102 WeakPolarHBondContact O-CG 3.44Å; Y98-L102 PolarHBondContact O-N 3.36Å; Y98-L119 HydrophobicContact CD1-CB 4.41Å; Y98-L119 HydrophobicContact CD1-CD2 3.6Å; Y98-L119 HydrophobicContact CD1-CG 3.82Å; Y98-L119 HydrophobicContact CE1-CD2 3.99Å; Y98-L119 HydrophobicContact CE1-CG 3.92Å; Y98-L119 HydrophobicContact CG-CD2 4.32Å; Y98-R121 HydrophobicContact CE1-CB 4.44Å; Y98-R121 WeakPolarHBondContact OH-CB 3.48Å; Y98-R121 WeakPolarHBondContact OH-CD 3.28Å
99	R	97.4	Very high	97.8	Very high	51 Å²	51	56.9 Å²	56.9	19%	0.192	28%	0.281	C	S	.	.	H	α-helix	trans	-63	-41.9	172	175.2	-167.7	-60	-174.9	-9	111.1	E43 P44 Q96 R103	E43-R99 VanDerWaalsContact CD-CZ 3.42Å; E43-R99 IonicContact OE1-CZ 2.68Å; E43-R99 IonicContact OE1-NH1 2.76Å; E43-R99 WeakPolarHBondContact OE2-CD 3.35Å; E43-R99 IonicContact OE2-CZ 3.77Å; E43-R99 IonicContact OE2-NE 3.7Å; E43-R99 PolarHBondContact OE2-NE 3.3Å; E43-R99 IonicContact OE2-NH1 3.38Å; E43-R99 IonicContact OE2-NH2 3.59Å; P44-R99 HydrophobicContact CG-CB 4.42Å; P44-R99 HydrophobicContact CG-CG 4.25Å; Q96-R99 WeakPolarHBondContact O-CB 3.47Å; Q96-R99 PolarHBondContact O-N 3.42Å; Q96-R99 VanDerWaalsContact O-N 3.08Å; Q96-R99 VanDerWaalsContact OE1-CZ 3.28Å; R99-R103 WeakPolarHBondContact O-CG 3.37Å; R99-R103 PolarHBondContact O-N 3.37Å
100	E	97.6	Very high	97.8	Very high	116 Å²	116	58.8 Å²	58.8	54%	0.542	29%	0.294	S	S	.	.	H	α-helix	trans	-69.8	-44.6	175.2	-67.6	-178.9	-179	0	0	111.9	Q96 T97 Y98 L102 R103 N104	Q96-E100 PolarHBondContact O-N 2.92Å; T97-E100 PolarHBondContact O-N 3.27Å; Y98-E100 VanDerWaalsContact C-N 3.34Å; E100-L102 VanDerWaalsContact C-N 3.35Å; E100-L102 PolarHBondContact O-N 3.5Å; E100-R103 WeakPolarHBondContact O-CB 3.46Å; E100-R103 PolarHBondContact O-N 3.01Å; E100-R103 VanDerWaalsContact O-N 3.1Å; E100-N104 PolarHBondContact O-N 3.39Å; E100-N104 PolarHBondContact O-ND2 3.34Å
101	S	98	Very high	97.8	Very high	40 Å²	40	58.2 Å²	58.2	28%	0.28	29%	0.29	S	S	.	.	H	α-helix	trans	-57.8	-43.6	175	-66.6	0	0	0	0	112.4	T97 Y98 R103 N104 L105	T97-S101 WeakPolarHBondContact O-CB 3.34Å; T97-S101 PolarHBondContact O-N 3.37Å; T97-S101 PolarHBondContact O-OG 2.91Å; T97-S101 VanDerWaalsContact O-OG 3.12Å; Y98-S101 PolarHBondContact O-N 3.49Å; S101-R103 VanDerWaalsContact C-N 3.32Å; S101-R103 PolarHBondContact O-N 2.88Å; S101-N104 PolarHBondContact O-N 3.4Å; S101-L105 WeakPolarHBondContact O-CB 3.37Å; S101-L105 WeakPolarHBondContact O-CD1 3.33Å; S101-L105 WeakPolarHBondContact O-CG 3.49Å; S101-L105 PolarHBondContact O-N 3.25Å
102	L	98.3	Very high	97.7	Very high	9 Å²	9	62.2 Å²	62.2	5%	0.047	32%	0.318	C	S	.	.	H	α-helix	trans	-60	-38.8	174.8	-77.6	167.8	0	0	0	112.5	A35 P44 Y98 E100 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.85Å; P44-L102 HydrophobicContact CB-CD1 3.73Å; P44-L102 HydrophobicContact CG-CD1 3.97Å; Y98-L102 WeakPolarHBondContact O-CB 3.33Å; Y98-L102 VanDerWaalsContact O-CG 3.26Å; Y98-L102 WeakPolarHBondContact O-CG 3.44Å; Y98-L102 PolarHBondContact O-N 3.36Å; E100-L102 VanDerWaalsContact C-N 3.35Å; E100-L102 PolarHBondContact O-N 3.5Å; L102-R106 VanDerWaalsContact O-CB 3.29Å; L102-R106 WeakPolarHBondContact O-CB 3.35Å; L102-R106 PolarHBondContact O-N 3.17Å; L102-R106 VanDerWaalsContact O-N 3.16Å; L102-H117 HydrophobicContact CD2-CB 4.35Å; L102-L119 HydrophobicContact CD2-CB 3.66Å; L102-L119 HydrophobicContact CG-CB 4.13Å; L102-Y142 HydrophobicContact CD2-CE2 4.04Å
103	R	97	Very high	97.4	Very high	130 Å²	130	64.6 Å²	64.6	49%	0.491	33%	0.331	S	S	.	.	H	α-helix	trans	-67.6	-41.9	175.3	-68.7	171.1	-174.5	174	2.4	111.6	E43 R99 E100 S101 G107	E43-R103 IonicContact OE1-NH2 3.43Å; E43-R103 IonicContact OE2-NH2 3.37Å; R99-R103 WeakPolarHBondContact O-CG 3.37Å; R99-R103 PolarHBondContact O-N 3.37Å; E100-R103 WeakPolarHBondContact O-CB 3.46Å; E100-R103 PolarHBondContact O-N 3.01Å; E100-R103 VanDerWaalsContact O-N 3.1Å; S101-R103 VanDerWaalsContact C-N 3.32Å; S101-R103 PolarHBondContact O-N 2.88Å; R103-G107 PolarHBondContact O-N 3.16Å; R103-G107 VanDerWaalsContact O-N 3.17Å
104	N	97.6	Very high	97.2	Very high	79 Å²	79	65.1 Å²	65.1	42%	0.422	34%	0.342	S	S	.	.	H	α-helix	trans	-65.1	-48.1	178.3	-70.3	-30.5	0	0	0	112	E100 S101 G107 Y108	E100-N104 PolarHBondContact O-N 3.39Å; E100-N104 PolarHBondContact O-ND2 3.34Å; S101-N104 PolarHBondContact O-N 3.4Å; N104-G107 CarbonylContact O-C 3.54Å; N104-G107 WeakPolarHBondContact O-CA 3.35Å; N104-G107 PolarHBondContact O-N 3.37Å; N104-G107 VanDerWaalsContact O-N 3.11Å; N104-Y108 WeakPolarHBondContact O-CD1 3.47Å; N104-Y108 PolarHBondContact O-N 2.93Å
105	L	98.2	Very high	97	Very high	7 Å²	7	64.9 Å²	64.9	4%	0.037	35%	0.346	C	S	.	.	H	α-helix	trans	-60	-49.9	179.2	-70.9	163.5	0	0	0	111.2	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.37Å; S101-L105 WeakPolarHBondContact O-CD1 3.33Å; S101-L105 WeakPolarHBondContact O-CG 3.49Å; S101-L105 PolarHBondContact O-N 3.25Å; L105-G107 PolarHBondContact O-N 3Å; L105-Y108 PolarHBondContact O-N 2.96Å; L105-Y109 HydrophobicContact CD2-CE2 4.28Å; L105-Y109 VanDerWaalsContact O-CD2 3.26Å; L105-Y109 WeakPolarHBondContact O-CD2 3.45Å; L105-Y109 PolarHBondContact O-N 2.8Å; L105-L119 HydrophobicContact CD1-CB 4.47Å; L105-L119 HydrophobicContact CD1-CD1 3.81Å; L105-L119 HydrophobicContact CD1-CD2 3.89Å; L105-L119 HydrophobicContact CD1-CG 4.27Å; L105-Y142 HydrophobicContact CB-CD1 4.39Å; L105-Y142 HydrophobicContact CB-CD2 4.2Å; L105-Y142 HydrophobicContact CB-CE1 4Å; L105-Y142 HydrophobicContact CB-CE2 3.82Å; L105-Y142 HydrophobicContact CB-CG 4.46Å; L105-Y142 HydrophobicContact CD1-CD2 3.64Å; L105-Y142 HydrophobicContact CD1-CE2 3.92Å; L105-Y142 HydrophobicContact CD1-CG 4.13Å; L105-Y142 HydrophobicContact CG-CD2 4.41Å; L105-Y142 HydrophobicContact CG-CE2 4.46Å; L105-Y147 HydrophobicContact CD2-CD1 4.32Å; L105-Y147 HydrophobicContact CD2-CD2 4.05Å; L105-Y147 HydrophobicContact CD2-CE1 3.75Å; L105-Y147 HydrophobicContact CD2-CE2 3.44Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.44Å; L105-Y147 HydrophobicContact CD2-CG 4.46Å
106	R	97.5	Very high	96.9	Very high	62 Å²	62	68.1 Å²	68.1	23%	0.234	37%	0.369	C	S	.	.	H	α-helix	trans	-53	-39.2	174	-172.8	-168	65.9	168.6	10.9	112	L102 N110 Q111 E113	L102-R106 VanDerWaalsContact O-CB 3.29Å; L102-R106 WeakPolarHBondContact O-CB 3.35Å; L102-R106 PolarHBondContact O-N 3.17Å; L102-R106 VanDerWaalsContact O-N 3.16Å; R106-N110 PolarHBondContact O-N 2.89Å; R106-Q111 HydrophobicContact CG-CB 3.77Å; R106-Q111 PolarHBondContact O-N 2.85Å; R106-E113 IonicContact CZ-OE1 3.65Å; R106-E113 IonicContact NH1-OE1 3.63Å; R106-E113 PolarHBondContact NH1-OE1 3.02Å; R106-E113 IonicContact NH2-OE1 2.73Å; R106-E113 PolarHBondContact NH2-OE1 3.33Å
107	G	97.4	Very high	96.9	Very high	42 Å²	42	65 Å²	65	43%	0.433	35%	0.354	S	S	.	.	H	α-helix	trans	-66.1	-49.1	173.7	0	0	0	0	0	113.4	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.16Å; R103-G107 VanDerWaalsContact O-N 3.17Å; N104-G107 CarbonylContact O-C 3.54Å; N104-G107 WeakPolarHBondContact O-CA 3.35Å; N104-G107 PolarHBondContact O-N 3.37Å; N104-G107 VanDerWaalsContact O-N 3.11Å; L105-G107 PolarHBondContact O-N 3Å; G107-Y109 VanDerWaalsContact C-N 3.28Å; G107-Y109 PolarHBondContact O-N 3.06Å; G107-N110 PolarHBondContact O-N 3.26Å; G107-N110 VanDerWaalsContact O-N 3.09Å
108	Y	98	Very high	97	Very high	55 Å²	55	63.8 Å²	63.8	22%	0.216	35%	0.347	C	S	.	.	H	α-helix	trans	-60.4	-36.6	179.2	-59.6	-19.6	0	0	0	112.6	N104 L105 I166 K170	N104-Y108 WeakPolarHBondContact O-CD1 3.47Å; N104-Y108 PolarHBondContact O-N 2.93Å; L105-Y108 PolarHBondContact O-N 2.96Å; Y108-I166 HydrophobicContact CD1-CD1 4.02Å; Y108-I166 HydrophobicContact CD2-CD1 4.45Å; Y108-I166 HydrophobicContact CE1-CD1 4.39Å; Y108-I166 HydrophobicContact CE1-CG2 3.98Å; Y108-I166 HydrophobicContact CE2-CB 4.26Å; Y108-I166 HydrophobicContact CE2-CG2 4.17Å; Y108-I166 HydrophobicContact CG-CD1 4.06Å; Y108-K170 PolarHBondContact OH-NZ 3.01Å
109	Y	98.1	Very high	97	Very high	69 Å²	69	63.8 Å²	63.8	27%	0.271	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	2.4	177.6	-69.4	-69.4	0	0	0	114.3	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.28Å; L105-Y109 VanDerWaalsContact O-CD2 3.26Å; L105-Y109 WeakPolarHBondContact O-CD2 3.45Å; L105-Y109 PolarHBondContact O-N 2.8Å; G107-Y109 VanDerWaalsContact C-N 3.28Å; G107-Y109 PolarHBondContact O-N 3.06Å; Y109-Q111 PolarHBondContact O-N 2.99Å; Y109-Y142 AromaticContact CD2-CD1 3.68Å; Y109-Y142 HydrophobicContact CD2-CD1 3.68Å; Y109-Y142 AromaticContact CD2-CE1 3.47Å; Y109-Y142 HydrophobicContact CD2-CE1 3.47Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.47Å; 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 3.76Å; Y109-Y142 HydrophobicContact CE2-CE1 3.76Å; Y109-Y142 HydrophobicContact CE2-CG 4.45Å; Y109-Y142 HydrophobicContact CG-CE1 4.42Å; Y109-Y147 HydrophobicContact CE2-CD2 4.37Å; Y109-Y147 HydrophobicContact CE2-CE2 4.11Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.31Å; Y109-Y147 WeakPolarHBondContact OH-CD2 2.99Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.44Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.37Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.27Å; Y109-D161 PolarHBondContact OH-OD1 2.81Å; Y109-D161 PolarHBondContact OH-OD2 3.09Å; Y109-A163 HydrophobicContact CD1-CB 4.17Å; Y109-A163 HydrophobicContact CD2-CB 4.46Å; Y109-A163 HydrophobicContact CE1-CB 3.66Å; Y109-A163 HydrophobicContact CE2-CB 3.97Å
110	N	97.2	Very high	97.1	Very high	152 Å²	152	65.1 Å²	65.1	81%	0.813	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	36.9	-176.9	-56.2	-77.1	0	0	0	113.7	R106 G107	R106-N110 PolarHBondContact O-N 2.89Å; G107-N110 PolarHBondContact O-N 3.26Å; G107-N110 VanDerWaalsContact O-N 3.09Å
111	Q	97.5	Very high	97.2	Very high	56 Å²	56	61.1 Å²	61.1	26%	0.262	34%	0.336	S	S	.	.			trans	-84.2	151.8	-176.3	-71.8	166	-39.3	0	0	112.3	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.77Å; R106-Q111 PolarHBondContact O-N 2.85Å; Y109-Q111 PolarHBondContact O-N 2.99Å; Q111-H117 PolarHBondContact NE2-CE1 3.25Å; Q111-H117 VanDerWaalsContact NE2-CE1 3.28Å; Q111-H117 PolarHBondContact OE1-CE1 3.45Å; Q111-Y142 PolarHBondContact OE1-OH 2.96Å; Q111-D143 PolarHBondContact NE2-OD2 3.15Å
112	S	95.6	Very high	97.2	Very high	83 Å²	83	60.1 Å²	60.1	58%	0.58	33%	0.327	S	S	*	.			trans	-68	145.2	-179.6	178.5	0	0	0	0	112.7	A114 G115	S112-A114 PolarHBondContact O-N 2.93Å; S112-A114 PolarHBondContact OG-N 2.81Å; S112-G115 PolarHBondContact O-N 3.45Å
113	E	93	Very high	97.2	Very high	135 Å²	135	60.4 Å²	60.4	63%	0.631	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.3	174.7	-56.5	-144.4	107.8	0	0	114.1	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.21Å; P39-E113 VanDerWaalsContact CG-O 3.27Å; P39-E113 WeakPolarHBondContact CG-O 3.33Å; R106-E113 IonicContact CZ-OE1 3.65Å; R106-E113 IonicContact NH1-OE1 3.63Å; R106-E113 PolarHBondContact NH1-OE1 3.02Å; R106-E113 IonicContact NH2-OE1 2.73Å; R106-E113 PolarHBondContact NH2-OE1 3.33Å; E113-G115 VanDerWaalsContact C-N 3.27Å
114	A	93.1	Very high	97.3	Very high	81 Å²	81	54.2 Å²	54.2	67%	0.669	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-9.7	175.8	0	0	0	0	0	113.3	S112	S112-A114 PolarHBondContact O-N 2.93Å; S112-A114 PolarHBondContact OG-N 2.81Å
115	G	93.5	Very high	97.3	Very high	22 Å²	22	50.5 Å²	50.5	23%	0.227	29%	0.285	C	S	.	.			trans	-72.8	132.2	178.7	0	0	0	0	0	112.9	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.48Å; S112-G115 PolarHBondContact O-N 3.45Å; E113-G115 VanDerWaalsContact C-N 3.27Å; G115-H117 PolarHBondContact O-CD2 3.41Å
116	S	97	Very high	97.3	Very high	84 Å²	84	51.5 Å²	51.5	59%	0.587	29%	0.29	S	S	*	.			trans	-83.2	129.3	164.8	-169.1	0	0	0	0	108.4	S37	S37-S116 PolarHBondContact O-OG 2.96Å
117	H	98.3	Very high	97.4	Very high	17 Å²	17	48.6 Å²	48.6	8%	0.079	28%	0.279	C	S	.	.			trans	-133.5	148.6	-174.3	-64	-72.8	0	0	0	111	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 3.03Å; S37-H117 PolarHBondContact OG-N 2.94Å; S37-H117 PolarHBondContact OG-O 2.84Å; L102-H117 HydrophobicContact CD2-CB 4.35Å; Q111-H117 PolarHBondContact NE2-CE1 3.25Å; Q111-H117 VanDerWaalsContact NE2-CE1 3.28Å; Q111-H117 PolarHBondContact OE1-CE1 3.45Å; G115-H117 PolarHBondContact O-CD2 3.41Å; H117-Y142 HydrophobicContact CB-CE2 3.89Å; H117-Y142 WeakPolarHBondContact CB-OH 3.28Å; H117-Y142 VanDerWaalsContact CG-OH 3.28Å; H117-Y142 AromaticContact ND1-CZ 4Å; H117-Y142 PolarHBondContact ND1-OH 3.2Å; H117-D143 WeakPolarHBondContact CA-OD1 3.49Å; H117-D143 WeakPolarHBondContact CB-OD1 3.37Å; H117-D143 IonicContact CE1-OD2 2.85Å; H117-D143 IonicContact CG-OD1 3.64Å; H117-D143 IonicContact CG-OD2 3.52Å; H117-D143 IonicContact ND1-OD1 3.75Å; H117-D143 PolarHBondContact ND1-OD1 3.28Å; H117-D143 IonicContact ND1-OD2 2.72Å; H117-D143 PolarHBondContact ND1-OD2 2.8Å
118	T	98.7	Very high	97.2	Very high	39 Å²	39	46.8 Å²	46.8	24%	0.239	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.2	-176	-59.1	0	0	0	0	110.3	T34 A35 M36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.07Å; A35-T118 WeakPolarHBondContact O-CA 3.34Å; M36-T118 HydrophobicContact CG-CG2 4.18Å; T118-Q120 HydrophobicContact CG2-CG 4Å; T118-Y142 WeakPolarHBondContact O-CA 3.33Å; T118-Y142 VanDerWaalsContact O-CD2 3.28Å; T118-Y142 WeakPolarHBondContact O-CD2 3.4Å; T118-D143 PolarHBondContact N-OD1 2.84Å; T118-D143 PolarHBondContact O-N 2.62Å
119	L	98.8	Very high	97	Very high	10 Å²	10	49.3 Å²	49.3	5%	0.052	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	122.9	171.2	173.3	60.2	0	0	0	108.6	A35 Y98 L102 L105 Y142	A35-L119 PolarHBondContact N-O 3.35Å; A35-L119 PolarHBondContact O-N 2.96Å; Y98-L119 HydrophobicContact CD1-CB 4.41Å; Y98-L119 HydrophobicContact CD1-CD2 3.6Å; Y98-L119 HydrophobicContact CD1-CG 3.82Å; Y98-L119 HydrophobicContact CE1-CD2 3.99Å; Y98-L119 HydrophobicContact CE1-CG 3.92Å; Y98-L119 HydrophobicContact CG-CD2 4.32Å; L102-L119 HydrophobicContact CD2-CB 3.66Å; L102-L119 HydrophobicContact CG-CB 4.13Å; L105-L119 HydrophobicContact CD1-CB 4.47Å; L105-L119 HydrophobicContact CD1-CD1 3.81Å; L105-L119 HydrophobicContact CD1-CD2 3.89Å; L105-L119 HydrophobicContact CD1-CG 4.27Å; L119-Y142 HydrophobicContact CB-CD2 4.42Å
120	Q	98.8	Very high	96.6	Very high	79 Å²	79	50.3 Å²	50.3	37%	0.369	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	149.8	178.1	-70.7	168.5	-92.1	0	0	110.3	Y33 T34 T118 S140 A141	Y33-Q120 CarbonylContact O-C 3.56Å; Y33-Q120 VanDerWaalsContact O-CA 3.27Å; Y33-Q120 WeakPolarHBondContact O-CA 3.44Å; T34-Q120 HydrophobicContact CG2-CG 4.03Å; T118-Q120 HydrophobicContact CG2-CG 4Å; Q120-S140 CarbonylContact O-C 3.55Å; Q120-S140 WeakPolarHBondContact O-CA 3.42Å; Q120-A141 HydrophobicContact CB-CB 4.43Å; Q120-A141 PolarHBondContact N-O 2.96Å; Q120-A141 PolarHBondContact O-N 3.05Å
121	R	98.6	Very high	96.4	Very high	33 Å²	33	43.8 Å²	43.8	13%	0.125	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	139.2	169.8	-169.7	179.2	-169.7	171.1	11.6	110.2	F32 Y33 Y98 D138 Q139	F32-R121 WeakPolarHBondContact CA-O 3.44Å; Y33-R121 PolarHBondContact N-O 3.16Å; Y33-R121 PolarHBondContact O-N 3.32Å; Y98-R121 HydrophobicContact CE1-CB 4.44Å; Y98-R121 WeakPolarHBondContact OH-CB 3.48Å; Y98-R121 WeakPolarHBondContact OH-CD 3.28Å; R121-D138 IonicContact CZ-OD1 3.99Å; R121-D138 VanDerWaalsContact CZ-OD1 3.24Å; R121-D138 IonicContact CZ-OD2 3.65Å; R121-D138 IonicContact NE-OD1 3.52Å; R121-D138 PolarHBondContact NE-OD1 3.01Å; R121-D138 IonicContact NE-OD2 2.73Å; R121-D138 IonicContact NH2-OD1 3.89Å; R121-D138 PolarHBondContact NH2-OD1 3.37Å; R121-D138 IonicContact NH2-OD2 2.92Å; R121-D138 PolarHBondContact NH2-OD2 2.93Å; R121-Q139 CarbonylContact C-O 3.38Å; R121-Q139 VanDerWaalsContact CA-O 3.27Å; R121-Q139 WeakPolarHBondContact CA-O 3.4Å; R121-Q139 WeakPolarHBondContact CG-O 3.38Å
122	M	98.7	Very high	96.3	Very high	19 Å²	19	49.1 Å²	49.1	9%	0.094	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.5	167	-172.6	-76.3	-66.2	0	0	107.6	Y31 F32 H137 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.41Å; F32-M122 HydrophobicContact CD1-CB 4.02Å; F32-M122 HydrophobicContact CD1-CG 3.64Å; F32-M122 HydrophobicContact CE1-CB 4.14Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CG-CG 4.47Å; F32-M122 HydrophobicContact CZ-CG 3.96Å; M122-H137 HydrophobicContact CE-CB 3.79Å; M122-H137 HydrophobicContact SD-CB 4.16Å; M122-Q139 HydrophobicContact CB-CG 4.21Å; M122-Q139 HydrophobicContact CE-CG 4.05Å; M122-Q139 PolarHBondContact N-O 3.13Å; M122-Q139 PolarHBondContact O-N 2.84Å
123	Y	98.8	Very high	96.4	Very high	15 Å²	15	47.6 Å²	47.6	6%	0.059	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	157.7	171.1	72.9	-91.8	0	0	0	110.2	Y31 Y33 H137 W180 Y183	Y31-Y123 VanDerWaalsContact CB-CZ 3.43Å; Y31-Y123 HydrophobicContact CD2-CD2 4.45Å; Y31-Y123 AromaticContact CD2-CE2 3.58Å; Y31-Y123 HydrophobicContact CD2-CE2 3.58Å; Y31-Y123 AromaticContact CD2-CZ 3.7Å; Y31-Y123 WeakPolarHBondContact CD2-OH 3.46Å; Y31-Y123 HydrophobicContact CE2-CE2 4.38Å; Y31-Y123 HydrophobicContact CG-CE1 4.31Å; Y31-Y123 HydrophobicContact CG-CE2 4.05Å; Y31-Y123 AromaticContact CG-CZ 3.68Å; Y31-Y123 PolarHBondContact N-O 3.49Å; Y31-Y123 PolarHBondContact O-N 3.16Å; Y31-Y123 VanDerWaalsContact O-N 3.14Å; Y33-Y123 HydrophobicContact CD1-CE1 4.47Å; Y33-Y123 HydrophobicContact CD2-CE1 4.4Å; Y33-Y123 AromaticContact CE1-CE1 3.93Å; Y33-Y123 HydrophobicContact CE1-CE1 3.93Å; Y33-Y123 AromaticContact CE2-CE1 3.86Å; Y33-Y123 HydrophobicContact CE2-CE1 3.86Å; Y33-Y123 AromaticContact CZ-CE1 3.62Å; Y33-Y123 PolarHBondContact OH-OH 2.9Å; Y123-H137 CarbonylContact C-O 3.59Å; Y123-H137 WeakPolarHBondContact CA-O 3.36Å; Y123-H137 WeakPolarHBondContact CB-O 3.45Å; Y123-W180 HydrophobicContact CD2-CH2 4.42Å; Y123-W180 AromaticContact CD2-CZ3 3.8Å; Y123-W180 HydrophobicContact CD2-CZ3 3.8Å; Y123-W180 HydrophobicContact CE2-CZ3 4.33Å; Y123-W180 HydrophobicContact CG-CH2 4.35Å; Y123-W180 AromaticContact CG-CZ3 3.95Å; Y123-W180 HydrophobicContact CG-CZ3 3.95Å; Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 3.76Å; Y123-Y183 HydrophobicContact CE2-CE1 3.76Å; Y123-Y183 AromaticContact CE2-CZ 3.99Å
124	G	98.7	Very high	96.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.1	-177.4	-177.9	0	0	0	0	0	114.2	M29 H137 L184	M29-G124 CarbonylContact O-C 3.57Å; M29-G124 WeakPolarHBondContact O-CA 3.43Å; G124-H137 PolarHBondContact N-O 2.6Å; G124-H137 PolarHBondContact O-N 3.49Å; G124-L184 WeakPolarHBondContact O-CD2 3.29Å
125	C	98.7	Very high	96.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	145.7	-176.1	50.5	0	0	0	0	111	S28 M29 L133 R135 C188	S28-C125 CarbonylContact C-O 3.54Å; S28-C125 WeakPolarHBondContact CA-O 3.45Å; M29-C125 PolarHBondContact N-O 3.16Å; M29-C125 PolarHBondContact O-N 3.23Å; C125-L133 HydrophobicContact CB-CD1 3.57Å; C125-R135 WeakPolarHBondContact CA-O 3.43Å; C125-C188 HydrophobicContact CB-CB 3.88Å; C125-C188 WeakPolarHBondContact CB-SG 3.21Å; C125-C188 PolarHBondContact N-SG 2.79Å; C125-C188 WeakPolarHBondContact SG-CB 3.18Å; C125-C188 PolarHBondContact SG-O 3.37Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.65Å
126	D	98.3	Very high	97	Very high	29 Å²	29	46.8 Å²	46.8	16%	0.155	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.6	172.1	-52.3	-25.3	0	0	0	108.4	H27 S28 R30 L134 R135 H137	H27-D126 CarbonylContact O-C 3.53Å; H27-D126 WeakPolarHBondContact O-CA 3.37Å; S28-D126 WeakPolarHBondContact CB-OD1 3.35Å; R30-D126 IonicContact CZ-OD1 3.56Å; R30-D126 VanDerWaalsContact CZ-OD1 3.24Å; R30-D126 IonicContact NE-OD1 3.52Å; R30-D126 PolarHBondContact NE-OD1 3.38Å; R30-D126 VanDerWaalsContact NH2-CG 3.26Å; R30-D126 IonicContact NH2-OD1 3.88Å; R30-D126 PolarHBondContact NH2-OD1 3.5Å; R30-D126 IonicContact NH2-OD2 3.47Å; R30-D126 PolarHBondContact NH2-OD2 2.76Å; D126-L134 PolarHBondContact O-N 3.28Å; D126-R135 HydrophobicContact CB-CB 4.34Å; D126-R135 PolarHBondContact N-O 3.18Å; D126-R135 PolarHBondContact O-N 3Å; D126-H137 IonicContact OD1-CD2 2.69Å; D126-H137 IonicContact OD1-NE2 3.42Å; D126-H137 IonicContact OD2-CD2 2.76Å; D126-H137 IonicContact OD2-CE1 3.14Å; D126-H137 IonicContact OD2-NE2 2.67Å; D126-H137 PolarHBondContact OD2-NE2 2.69Å
127	V	97.7	Very high	97	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	148.1	-179.6	-60.3	0	0	0	0	111.8	S26 H27 R132 V189 L192	S26-V127 CarbonylContact C-O 3.57Å; S26-V127 VanDerWaalsContact CA-O 3.29Å; S26-V127 WeakPolarHBondContact CA-O 3.13Å; H27-V127 HydrophobicContact CB-CG2 4.08Å; H27-V127 PolarHBondContact N-O 3.05Å; H27-V127 PolarHBondContact O-N 3.29Å; V127-R132 CarbonylContact C-O 3.55Å; V127-R132 WeakPolarHBondContact CA-O 3.35Å; V127-R132 WeakPolarHBondContact CB-O 3.31Å; V127-V189 HydrophobicContact CG1-CB 4.45Å; V127-V189 HydrophobicContact CG1-CG1 4.09Å; V127-V189 HydrophobicContact CG1-CG2 3.94Å; V127-L192 HydrophobicContact CB-CD2 4.37Å; V127-L192 HydrophobicContact CG1-CD2 3.95Å; V127-L192 HydrophobicContact CG2-CD2 3.61Å; V127-L192 HydrophobicContact CG2-CG 4.22Å
128	G	95.1	Very high	97.1	Very high	4 Å²	4	43.1 Å²	43.1	4%	0.041	22%	0.215	C	C	.	.			trans	-82.3	-179.8	174.9	0	0	0	0	0	113	D130 G131 R132	G128-D130 PolarHBondContact O-N 2.85Å; G128-G131 VanDerWaalsContact O-CA 3.3Å; G128-G131 WeakPolarHBondContact O-CA 3.4Å; G128-G131 PolarHBondContact O-N 3.18Å; G128-R132 PolarHBondContact N-O 3.41Å
129	P	92	Very high	97	Very high	108 Å²	108	45.2 Å²	45.2	70%	0.701	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.8	177.2	-23.3	33.4	0	0	0	114.5	A24 G25 G131	A24-P129 WeakPolarHBondContact O-CG 3.15Å; G25-P129 VanDerWaalsContact O-CA 3.27Å; G25-P129 WeakPolarHBondContact O-CA 3.46Å; P129-G131 PolarHBondContact O-N 3.06Å
130	D	91.1	Very high	97	Very high	90 Å²	90	45.4 Å²	45.4	48%	0.481	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	3.8	171.5	74.4	-13.3	0	0	0	113.1	G128 R132	G128-D130 PolarHBondContact O-N 2.85Å; D130-R132 PolarHBondContact O-N 3.3Å; D130-R132 VanDerWaalsContact OD1-CB 3.32Å; D130-R132 WeakPolarHBondContact OD1-CB 3.21Å; D130-R132 PolarHBondContact OD1-N 2.81Å; D130-R132 WeakPolarHBondContact OD2-CD 3.11Å; D130-R132 WeakPolarHBondContact OD2-CG 3.23Å; D130-R132 IonicContact OD2-CZ 2.86Å; D130-R132 IonicContact OD2-NE 3.78Å; D130-R132 PolarHBondContact OD2-NE 3.22Å; D130-R132 IonicContact OD2-NH1 3.09Å; D130-R132 PolarHBondContact OD2-NH1 2.93Å
131	G	91.8	Very high	97	Very high	14 Å²	14	42.5 Å²	42.5	14%	0.144	21%	0.214	C	C	.	.	S	Bend	trans	70.4	6.1	-177.7	0	0	0	0	0	114.8	G128 P129 V189 R193	G128-G131 VanDerWaalsContact O-CA 3.3Å; G128-G131 WeakPolarHBondContact O-CA 3.4Å; G128-G131 PolarHBondContact O-N 3.18Å; P129-G131 PolarHBondContact O-N 3.06Å; G131-V189 WeakPolarHBondContact O-CG1 3.22Å; G131-R193 VanDerWaalsContact O-CZ 3.23Å; G131-R193 PolarHBondContact O-NE 3.02Å; G131-R193 PolarHBondContact O-NH2 2.77Å
132	R	95.3	Very high	97	Very high	169 Å²	169	41.4 Å²	41.4	64%	0.638	21%	0.21	S	C	*	.			trans	-80.7	151.4	179	-63.8	-173.6	-176.6	133.6	-10.6	111.6	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.55Å; V127-R132 WeakPolarHBondContact CA-O 3.35Å; V127-R132 WeakPolarHBondContact CB-O 3.31Å; G128-R132 PolarHBondContact N-O 3.41Å; D130-R132 PolarHBondContact O-N 3.3Å; D130-R132 VanDerWaalsContact OD1-CB 3.32Å; D130-R132 WeakPolarHBondContact OD1-CB 3.21Å; D130-R132 PolarHBondContact OD1-N 2.81Å; D130-R132 WeakPolarHBondContact OD2-CD 3.11Å; D130-R132 WeakPolarHBondContact OD2-CG 3.23Å; D130-R132 IonicContact OD2-CZ 2.86Å; D130-R132 IonicContact OD2-NE 3.78Å; D130-R132 PolarHBondContact OD2-NE 3.22Å; D130-R132 IonicContact OD2-NH1 3.09Å; D130-R132 PolarHBondContact OD2-NH1 2.93Å; R132-L134 PolarHBondContact O-N 3.25Å
133	L	97.6	Very high	97	Very high	50 Å²	50	43.6 Å²	43.6	26%	0.262	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	125.3	174.7	-172.4	72.4	0	0	0	110.4	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.57Å; L133-R135 WeakPolarHBondContact CD1-O 3.43Å; L133-L154 HydrophobicContact CD2-CD1 4.13Å; L133-E185 HydrophobicContact CD2-CB 4.48Å; L133-E185 HydrophobicContact CD2-CG 3.75Å; L133-V189 HydrophobicContact CB-CG2 4.03Å; L133-V189 HydrophobicContact CD1-CG2 3.89Å
134	L	97.3	Very high	97	Very high	115 Å²	115	45.7 Å²	45.7	60%	0.602	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	-42.1	166.7	-63.1	177.3	0	0	0	110.8	D126 R132	D126-L134 PolarHBondContact O-N 3.28Å; R132-L134 PolarHBondContact O-N 3.25Å
135	R	97.3	Very high	97	Very high	102 Å²	102	53.3 Å²	53.3	39%	0.385	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	134.9	-175.7	-171.5	174	178.8	121.2	8.6	111.4	C125 D126 L133 H137 E152	C125-R135 WeakPolarHBondContact CA-O 3.43Å; D126-R135 HydrophobicContact CB-CB 4.34Å; D126-R135 PolarHBondContact N-O 3.18Å; D126-R135 PolarHBondContact O-N 3Å; L133-R135 WeakPolarHBondContact CD1-O 3.43Å; R135-H137 WeakPolarHBondContact CD-CE1 3.32Å; R135-H137 PolarHBondContact NE-CE1 3.28Å; R135-E152 IonicContact CZ-OE1 2.78Å; R135-E152 VanDerWaalsContact NH1-CD 3.25Å; R135-E152 IonicContact NH1-OE1 3.55Å; R135-E152 PolarHBondContact NH1-OE1 3.17Å; R135-E152 IonicContact NH1-OE2 3.53Å; R135-E152 IonicContact NH2-OE1 3.4Å; R135-E152 PolarHBondContact NH2-OE1 3.01Å
136	G	98.2	Very high	97	Very high	5 Å²	5	59.4 Å²	59.4	5%	0.052	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	150.2	165.3	0	0	0	0	0	110.8
137	H	98.3	Very high	97	Very high	22 Å²	22	58.4 Å²	58.4	10%	0.102	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	137.9	179.1	-55.4	-101.4	0	0	0	110.1	R30 M122 Y123 G124 D126 R135	R30-H137 PolarHBondContact NH2-NE2 2.8Å; R30-H137 VanDerWaalsContact NH2-NE2 3.17Å; M122-H137 HydrophobicContact CE-CB 3.79Å; M122-H137 HydrophobicContact SD-CB 4.16Å; Y123-H137 CarbonylContact C-O 3.59Å; Y123-H137 WeakPolarHBondContact CA-O 3.36Å; Y123-H137 WeakPolarHBondContact CB-O 3.45Å; G124-H137 PolarHBondContact N-O 2.6Å; G124-H137 PolarHBondContact O-N 3.49Å; D126-H137 IonicContact OD1-CD2 2.69Å; D126-H137 IonicContact OD1-NE2 3.42Å; D126-H137 IonicContact OD2-CD2 2.76Å; D126-H137 IonicContact OD2-CE1 3.14Å; D126-H137 IonicContact OD2-NE2 2.67Å; D126-H137 PolarHBondContact OD2-NE2 2.69Å; R135-H137 WeakPolarHBondContact CD-CE1 3.32Å; R135-H137 PolarHBondContact NE-CE1 3.28Å
138	D	98.5	Very high	97	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.011	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	110.3	162.8	175.8	27.8	0	0	0	109.1	R121 L150 W157 W180	R121-D138 IonicContact CZ-OD1 3.99Å; R121-D138 VanDerWaalsContact CZ-OD1 3.24Å; R121-D138 IonicContact CZ-OD2 3.65Å; R121-D138 IonicContact NE-OD1 3.52Å; R121-D138 PolarHBondContact NE-OD1 3.01Å; R121-D138 IonicContact NE-OD2 2.73Å; R121-D138 IonicContact NH2-OD1 3.89Å; R121-D138 PolarHBondContact NH2-OD1 3.37Å; R121-D138 IonicContact NH2-OD2 2.92Å; R121-D138 PolarHBondContact NH2-OD2 2.93Å; D138-L150 HydrophobicContact CB-CB 3.99Å; D138-L150 HydrophobicContact CB-CD2 4.17Å; D138-L150 WeakPolarHBondContact O-CB 3.5Å; D138-L150 PolarHBondContact O-N 3.49Å; D138-W157 WeakPolarHBondContact OD2-CH2 3.16Å; D138-W180 HydrophobicContact CB-CE3 4.39Å
139	Q	98.6	Very high	97.2	Very high	82 Å²	82	59.7 Å²	59.7	38%	0.383	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	142.9	-176.7	65.8	-170	30.6	0	0	111.6	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.38Å; R121-Q139 VanDerWaalsContact CA-O 3.27Å; R121-Q139 WeakPolarHBondContact CA-O 3.4Å; R121-Q139 WeakPolarHBondContact CG-O 3.38Å; M122-Q139 HydrophobicContact CB-CG 4.21Å; M122-Q139 HydrophobicContact CE-CG 4.05Å; M122-Q139 PolarHBondContact N-O 3.13Å; M122-Q139 PolarHBondContact O-N 2.84Å; Q139-I148 WeakPolarHBondContact CA-O 3.36Å; Q139-A149 HydrophobicContact CB-CB 3.79Å
140	S	98.6	Very high	97.5	Very high	14 Å²	14	55.2 Å²	55.2	10%	0.098	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	145.6	179.2	-58.2	0	0	0	0	111.5	Q120 Y147 I148	Q120-S140 CarbonylContact O-C 3.55Å; Q120-S140 WeakPolarHBondContact O-CA 3.42Å; S140-Y147 WeakPolarHBondContact O-CA 3.22Å; S140-Y147 WeakPolarHBondContact O-CB 3.34Å; S140-Y147 PolarHBondContact O-N 3.36Å; S140-I148 PolarHBondContact N-O 2.86Å; S140-I148 PolarHBondContact O-N 3.38Å
141	A	98.8	Very high	97.9	Very high	18 Å²	18	53 Å²	53	15%	0.149	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	143.5	177.4	0	0	0	0	0	110.6	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.43Å; Q120-A141 PolarHBondContact N-O 2.96Å; Q120-A141 PolarHBondContact O-N 3.05Å; A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.41Å; A141-K145 VanDerWaalsContact CB-O 3.23Å; A141-K145 WeakPolarHBondContact CB-O 3.41Å
142	Y	98.8	Very high	98.2	Very high	11 Å²	11	59 Å²	59	4%	0.043	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130.8	178.6	-173.3	-120.8	0	0	0	110.6	L102 L105 Y109 Q111 H117 T118 L119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.04Å; L105-Y142 HydrophobicContact CB-CD1 4.39Å; L105-Y142 HydrophobicContact CB-CD2 4.2Å; L105-Y142 HydrophobicContact CB-CE1 4Å; L105-Y142 HydrophobicContact CB-CE2 3.82Å; L105-Y142 HydrophobicContact CB-CG 4.46Å; L105-Y142 HydrophobicContact CD1-CD2 3.64Å; L105-Y142 HydrophobicContact CD1-CE2 3.92Å; L105-Y142 HydrophobicContact CD1-CG 4.13Å; L105-Y142 HydrophobicContact CG-CD2 4.41Å; L105-Y142 HydrophobicContact CG-CE2 4.46Å; Y109-Y142 AromaticContact CD2-CD1 3.68Å; Y109-Y142 HydrophobicContact CD2-CD1 3.68Å; Y109-Y142 AromaticContact CD2-CE1 3.47Å; Y109-Y142 HydrophobicContact CD2-CE1 3.47Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.47Å; 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 3.76Å; Y109-Y142 HydrophobicContact CE2-CE1 3.76Å; Y109-Y142 HydrophobicContact CE2-CG 4.45Å; Y109-Y142 HydrophobicContact CG-CE1 4.42Å; Q111-Y142 PolarHBondContact OE1-OH 2.96Å; H117-Y142 HydrophobicContact CB-CE2 3.89Å; H117-Y142 WeakPolarHBondContact CB-OH 3.28Å; H117-Y142 VanDerWaalsContact CG-OH 3.28Å; H117-Y142 AromaticContact ND1-CZ 4Å; H117-Y142 PolarHBondContact ND1-OH 3.2Å; T118-Y142 WeakPolarHBondContact O-CA 3.33Å; T118-Y142 VanDerWaalsContact O-CD2 3.28Å; T118-Y142 WeakPolarHBondContact O-CD2 3.4Å; L119-Y142 HydrophobicContact CB-CD2 4.42Å; Y142-G144 PolarHBondContact O-N 2.73Å; Y142-G144 VanDerWaalsContact O-N 3.13Å; Y142-K145 PolarHBondContact N-O 3.03Å; Y142-K145 PolarHBondContact O-N 2.73Å
143	D	98.3	Very high	98.3	Very high	64 Å²	64	54.5 Å²	54.5	34%	0.342	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	39	-174.7	-65.6	-20.6	0	0	0	113.5	Q111 H117 T118	Q111-D143 PolarHBondContact NE2-OD2 3.15Å; H117-D143 WeakPolarHBondContact CA-OD1 3.49Å; H117-D143 WeakPolarHBondContact CB-OD1 3.37Å; H117-D143 IonicContact CE1-OD2 2.85Å; H117-D143 IonicContact CG-OD1 3.64Å; H117-D143 IonicContact CG-OD2 3.52Å; H117-D143 IonicContact ND1-OD1 3.75Å; H117-D143 PolarHBondContact ND1-OD1 3.28Å; H117-D143 IonicContact ND1-OD2 2.72Å; H117-D143 PolarHBondContact ND1-OD2 2.8Å; T118-D143 PolarHBondContact N-OD1 2.84Å; T118-D143 PolarHBondContact O-N 2.62Å
144	G	97.5	Very high	98.3	Very high	60 Å²	60	52.5 Å²	52.5	62%	0.619	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	10.9	178.4	0	0	0	0	0	115.6	Y142	Y142-G144 PolarHBondContact O-N 2.73Å; Y142-G144 VanDerWaalsContact O-N 3.13Å
145	K	98.5	Very high	98.3	Very high	159 Å²	159	50 Å²	50	69%	0.691	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	146.3	176.4	-61.9	177.9	-177.8	176.9	0	110.9	A141 Y142 Y147	A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.41Å; A141-K145 VanDerWaalsContact CB-O 3.23Å; A141-K145 WeakPolarHBondContact CB-O 3.41Å; Y142-K145 PolarHBondContact N-O 3.03Å; Y142-K145 PolarHBondContact O-N 2.73Å; K145-Y147 PolarHBondContact O-N 2.79Å
146	D	98.7	Very high	98.3	Very high	128 Å²	128	47.1 Å²	47.1	68%	0.684	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.1	136.8	174	-60.9	-43.4	0	0	0	111	A160	D146-A160 WeakPolarHBondContact O-CB 3.31Å
147	Y	98.8	Very high	98.4	Very high	9 Å²	9	47.4 Å²	47.4	4%	0.035	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	-61.7	-179.3	178.9	-108.1	0	0	0	110.4	L105 Y109 S140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.32Å; L105-Y147 HydrophobicContact CD2-CD2 4.05Å; L105-Y147 HydrophobicContact CD2-CE1 3.75Å; L105-Y147 HydrophobicContact CD2-CE2 3.44Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.44Å; L105-Y147 HydrophobicContact CD2-CG 4.46Å; Y109-Y147 HydrophobicContact CE2-CD2 4.37Å; Y109-Y147 HydrophobicContact CE2-CE2 4.11Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.31Å; Y109-Y147 WeakPolarHBondContact OH-CD2 2.99Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.44Å; S140-Y147 WeakPolarHBondContact O-CA 3.22Å; S140-Y147 WeakPolarHBondContact O-CB 3.34Å; S140-Y147 PolarHBondContact O-N 3.36Å; K145-Y147 PolarHBondContact O-N 2.79Å; Y147-A160 WeakPolarHBondContact O-CB 3.45Å; Y147-A160 PolarHBondContact O-N 2.85Å; Y147-A163 HydrophobicContact CE2-CB 4.41Å; Y147-A163 PolarHBondContact OH-O 3.19Å; Y147-A163 VanDerWaalsContact OH-O 3.04Å; Y147-A164 HydrophobicContact CD2-CB 3.87Å; Y147-A164 HydrophobicContact CE1-CB 4.48Å; Y147-A164 VanDerWaalsContact CE2-CA 3.48Å; Y147-A164 HydrophobicContact CE2-CB 3.71Å; Y147-A164 HydrophobicContact CG-CB 4.31Å; Y147-A164 WeakPolarHBondContact O-CB 3.45Å; Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 WeakPolarHBondContact OH-CB 3.45Å; Y147-T167 PolarHBondContact OH-OG1 2.97Å
148	I	98.8	Very high	98.4	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	141.9	178.5	-161.2	172.1	0	0	0	110.5	Q139 S140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.36Å; S140-I148 PolarHBondContact N-O 2.86Å; S140-I148 PolarHBondContact O-N 3.38Å; I148-W157 HydrophobicContact CD1-CB 4.24Å; I148-W157 HydrophobicContact CD1-CD2 4.47Å; I148-W157 HydrophobicContact CD1-CE3 4.3Å; I148-W157 HydrophobicContact CD1-CG 4.46Å; I148-W157 HydrophobicContact CG1-CB 4.33Å; I148-W157 HydrophobicContact CG1-CE3 4.15Å; I148-T158 WeakPolarHBondContact CA-O 3.4Å; I148-T158 WeakPolarHBondContact CG1-O 3.26Å; I148-T167 HydrophobicContact CD1-CG2 4.13Å; I148-Q168 HydrophobicContact CD1-CB 3.94Å; I148-W171 HydrophobicContact CD1-CE3 3.97Å; I148-W171 HydrophobicContact CD1-CZ3 4.22Å; I148-W171 HydrophobicContact CG2-CE3 4.4Å; I148-W171 HydrophobicContact CG2-CH2 3.98Å; I148-W171 HydrophobicContact CG2-CZ3 3.62Å
149	A	98.8	Very high	98.4	Very high	27 Å²	27	51 Å²	51	22%	0.223	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	141.4	177	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.79Å; A149-W157 WeakPolarHBondContact O-CA 3.33Å; A149-T158 PolarHBondContact N-O 2.9Å; A149-T158 PolarHBondContact O-N 2.83Å
150	L	98.8	Very high	98.4	Very high	15 Å²	15	50.1 Å²	50.1	8%	0.079	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	128.8	166.9	-174.6	64.7	0	0	0	108.2	D138 L154 W157 A177 W180 L184	D138-L150 HydrophobicContact CB-CB 3.99Å; D138-L150 HydrophobicContact CB-CD2 4.17Å; D138-L150 WeakPolarHBondContact O-CB 3.5Å; D138-L150 PolarHBondContact O-N 3.49Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.25Å; L150-W157 HydrophobicContact CB-CE3 3.97Å; L150-W157 HydrophobicContact CB-CH2 4.06Å; L150-W157 HydrophobicContact CB-CZ3 3.59Å; L150-W157 HydrophobicContact CD1-CD2 4.19Å; L150-W157 HydrophobicContact CD1-CE3 4.25Å; L150-W157 HydrophobicContact CD1-CH2 3.99Å; L150-W157 HydrophobicContact CD1-CZ2 3.93Å; L150-W157 HydrophobicContact CD1-CZ3 4.15Å; L150-W157 HydrophobicContact CG-CH2 4.48Å; L150-W157 HydrophobicContact CG-CZ3 4.42Å; L150-A177 HydrophobicContact CD1-CB 3.91Å; L150-W180 HydrophobicContact CD2-CB 4.01Å; L150-L184 HydrophobicContact CD2-CD1 3.93Å
151	N	98.6	Very high	98.4	Very high	42 Å²	42	52 Å²	52	23%	0.225	31%	0.307	C	S	.	.			trans	-73.9	163	-179.6	-67.3	-29	0	0	0	111.4	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.73Å; N151-L154 PolarHBondContact O-N 2.8Å; N151-S156 WeakPolarHBondContact CB-O 3.49Å; N151-S156 PolarHBondContact N-O 3.11Å; N151-S156 PolarHBondContact ND2-O 3.46Å; N151-S156 PolarHBondContact ND2-OG 3.01Å; N151-T158 PolarHBondContact ND2-OG1 3.44Å; N151-T158 WeakPolarHBondContact OD1-CB 3.45Å; N151-T158 PolarHBondContact OD1-OG1 2.77Å
152	E	97.5	Very high	98.4	Very high	140 Å²	140	56.3 Å²	56.3	65%	0.654	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-20.5	-179.6	-64.2	179.4	-170.5	0	0	113.6	R135 L154	R135-E152 IonicContact CZ-OE1 2.78Å; R135-E152 VanDerWaalsContact NH1-CD 3.25Å; R135-E152 IonicContact NH1-OE1 3.55Å; R135-E152 PolarHBondContact NH1-OE1 3.17Å; R135-E152 IonicContact NH1-OE2 3.53Å; R135-E152 IonicContact NH2-OE1 3.4Å; R135-E152 PolarHBondContact NH2-OE1 3.01Å; E152-L154 PolarHBondContact O-N 2.89Å
153	D	97.5	Very high	98.3	Very high	75 Å²	75	56 Å²	56	40%	0.401	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-8	173.1	69.9	33	0	0	0	114.1	N151 S155 S156 R181	N151-D153 PolarHBondContact O-N 2.73Å; D153-S155 PolarHBondContact O-N 2.73Å; D153-S155 PolarHBondContact O-OG 3.16Å; D153-S155 WeakPolarHBondContact OD1-CA 3.36Å; D153-S155 PolarHBondContact OD1-N 3.19Å; D153-S155 PolarHBondContact OD1-OG 3.19Å; D153-S156 PolarHBondContact OD1-N 2.97Å; D153-S156 PolarHBondContact OD1-OG 3.04Å; D153-S156 PolarHBondContact OD2-OG 3.23Å; D153-R181 PolarHBondContact O-NH2 2.8Å
154	L	98	Very high	98.3	Very high	9 Å²	9	53 Å²	53	5%	0.047	32%	0.315	C	S	.	.	S	Bend	trans	50.6	37.5	-176.2	-52.3	-177.5	0	0	0	113.7	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.13Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.25Å; N151-L154 PolarHBondContact O-N 2.8Å; E152-L154 PolarHBondContact O-N 2.89Å; L154-R181 HydrophobicContact CB-CB 4.11Å; L154-R181 HydrophobicContact CB-CG 4Å; L154-R181 HydrophobicContact CD1-CG 4.34Å; L154-R181 PolarHBondContact O-NE 3.17Å; L154-R181 PolarHBondContact O-NH2 2.86Å; L154-L184 HydrophobicContact CD2-CD1 4Å; L154-E185 HydrophobicContact CD1-CG 4.3Å
155	S	97.8	Very high	98.4	Very high	63 Å²	63	53.5 Å²	53.5	44%	0.441	30%	0.302	S	S	.	.	S	Bend	trans	-148	-26.8	-179.3	55.7	0	0	0	0	114.6	D153 A177	D153-S155 PolarHBondContact O-N 2.73Å; D153-S155 PolarHBondContact O-OG 3.16Å; D153-S155 WeakPolarHBondContact OD1-CA 3.36Å; D153-S155 PolarHBondContact OD1-N 3.19Å; D153-S155 PolarHBondContact OD1-OG 3.19Å; S155-A177 WeakPolarHBondContact O-CB 3.24Å
156	S	97.9	Very high	98.4	Very high	40 Å²	40	48.8 Å²	48.8	28%	0.28	28%	0.283	S	S	.	.			trans	-116.2	159.1	-179.9	71.9	0	0	0	0	111.9	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.49Å; N151-S156 PolarHBondContact N-O 3.11Å; N151-S156 PolarHBondContact ND2-O 3.46Å; N151-S156 PolarHBondContact ND2-OG 3.01Å; D153-S156 PolarHBondContact OD1-N 2.97Å; D153-S156 PolarHBondContact OD1-OG 3.04Å; D153-S156 PolarHBondContact OD2-OG 3.23Å
157	W	98.7	Very high	98.4	Very high	11 Å²	11	43.5 Å²	43.5	4%	0.042	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	142.8	-177.3	-60.5	94.4	0	0	0	111.4	D138 I148 A149 L150 Q168 W171 E176 A177	D138-W157 WeakPolarHBondContact OD2-CH2 3.16Å; I148-W157 HydrophobicContact CD1-CB 4.24Å; I148-W157 HydrophobicContact CD1-CD2 4.47Å; I148-W157 HydrophobicContact CD1-CE3 4.3Å; I148-W157 HydrophobicContact CD1-CG 4.46Å; I148-W157 HydrophobicContact CG1-CB 4.33Å; I148-W157 HydrophobicContact CG1-CE3 4.15Å; A149-W157 WeakPolarHBondContact O-CA 3.33Å; L150-W157 HydrophobicContact CB-CE3 3.97Å; L150-W157 HydrophobicContact CB-CH2 4.06Å; L150-W157 HydrophobicContact CB-CZ3 3.59Å; L150-W157 HydrophobicContact CD1-CD2 4.19Å; L150-W157 HydrophobicContact CD1-CE3 4.25Å; L150-W157 HydrophobicContact CD1-CH2 3.99Å; L150-W157 HydrophobicContact CD1-CZ2 3.93Å; L150-W157 HydrophobicContact CD1-CZ3 4.15Å; L150-W157 HydrophobicContact CG-CH2 4.48Å; L150-W157 HydrophobicContact CG-CZ3 4.42Å; W157-Q168 HydrophobicContact CB-CG 4.21Å; W157-Q168 PolarHBondContact O-NE2 2.78Å; W157-W171 AromaticContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CZ3 4.5Å; W157-W171 AromaticContact CE2-CE3 3.83Å; W157-W171 AromaticContact CE3-CE3 3.79Å; W157-W171 HydrophobicContact CE3-CE3 3.79Å; W157-W171 AromaticContact CE3-CZ3 3.89Å; W157-W171 HydrophobicContact CE3-CZ3 3.89Å; W157-W171 AromaticContact CH2-CE3 3.52Å; W157-W171 HydrophobicContact CH2-CE3 3.52Å; W157-W171 AromaticContact CH2-CZ3 3.57Å; W157-W171 HydrophobicContact CH2-CZ3 3.57Å; W157-W171 HydrophobicContact CZ2-CD2 4.46Å; W157-W171 AromaticContact CZ2-CE3 3.64Å; W157-W171 HydrophobicContact CZ2-CE3 3.64Å; W157-W171 HydrophobicContact CZ2-CZ3 4.19Å; W157-W171 AromaticContact CZ3-CE3 3.59Å; W157-W171 HydrophobicContact CZ3-CE3 3.59Å; W157-W171 AromaticContact CZ3-CZ3 3.39Å; W157-W171 HydrophobicContact CZ3-CZ3 3.39Å; W157-E176 HydrophobicContact CZ2-CB 4.1Å; W157-A177 HydrophobicContact CZ2-CB 4.16Å
158	T	98.7	Very high	98.4	Very high	79 Å²	79	45 Å²	45	49%	0.485	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	117.2	165.4	-67.3	0	0	0	0	109.3	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.4Å; I148-T158 WeakPolarHBondContact CG1-O 3.26Å; A149-T158 PolarHBondContact N-O 2.9Å; A149-T158 PolarHBondContact O-N 2.83Å; N151-T158 PolarHBondContact ND2-OG1 3.44Å; N151-T158 WeakPolarHBondContact OD1-CB 3.45Å; N151-T158 PolarHBondContact OD1-OG1 2.77Å
159	A	98.7	Very high	98.4	Very high	22 Å²	22	52 Å²	52	18%	0.182	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	129.2	175	0	0	0	0	0	110.5	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.68Å; A159-Q165 HydrophobicContact CB-CG 4.04Å; A159-Q168 HydrophobicContact CB-CB 4.36Å; A159-Q168 VanDerWaalsContact CB-OE1 3.31Å
160	A	98.5	Very high	98.3	Very high	63 Å²	63	56.1 Å²	56.1	52%	0.521	30%	0.302	S	S	.	.	S	Bend	trans	-72.7	-30.8	-176.1	0	0	0	0	0	113.8	D146 Y147	D146-A160 WeakPolarHBondContact O-CB 3.31Å; Y147-A160 WeakPolarHBondContact O-CB 3.45Å; Y147-A160 PolarHBondContact O-N 2.85Å
161	D	98.4	Very high	98.3	Very high	52 Å²	52	57.9 Å²	57.9	28%	0.278	31%	0.308	S	S	.	.	S	Bend	trans	-150.1	-174.6	-178.4	69.2	30.6	0	0	0	113.7	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.37Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.27Å; Y109-D161 PolarHBondContact OH-OD1 2.81Å; Y109-D161 PolarHBondContact OH-OD2 3.09Å; D161-A163 VanDerWaalsContact C-N 3.32Å; D161-A163 PolarHBondContact O-N 2.99Å; D161-A163 WeakPolarHBondContact OD1-CA 3.43Å; D161-A163 WeakPolarHBondContact OD1-CB 3.33Å; D161-A163 PolarHBondContact OD1-N 3.18Å; D161-A164 PolarHBondContact O-N 2.86Å; D161-A164 PolarHBondContact OD1-N 3.05Å; D161-Q165 WeakPolarHBondContact O-CG 3.44Å; D161-Q165 PolarHBondContact O-N 2.88Å
162	T	98.3	Very high	98.3	Very high	110 Å²	110	60.3 Å²	60.3	68%	0.675	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-23.6	-179.2	51.1	0	0	0	0	114.5
163	A	98.2	Very high	98.3	Very high	5 Å²	5	57.9 Å²	57.9	4%	0.041	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-38.9	172.7	0	0	0	0	0	110.6	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.17Å; Y109-A163 HydrophobicContact CD2-CB 4.46Å; Y109-A163 HydrophobicContact CE1-CB 3.66Å; Y109-A163 HydrophobicContact CE2-CB 3.97Å; Y147-A163 HydrophobicContact CE2-CB 4.41Å; Y147-A163 PolarHBondContact OH-O 3.19Å; Y147-A163 VanDerWaalsContact OH-O 3.04Å; D161-A163 VanDerWaalsContact C-N 3.32Å; D161-A163 PolarHBondContact O-N 2.99Å; D161-A163 WeakPolarHBondContact OD1-CA 3.43Å; D161-A163 WeakPolarHBondContact OD1-CB 3.33Å; D161-A163 PolarHBondContact OD1-N 3.18Å; A163-Q165 VanDerWaalsContact C-N 3.3Å; A163-Q165 PolarHBondContact O-N 3.34Å; A163-I166 WeakPolarHBondContact O-CB 3.46Å; A163-I166 PolarHBondContact O-N 2.87Å; A163-I166 VanDerWaalsContact O-N 3.11Å
164	A	98.5	Very high	98.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-61.4	-36.8	171.7	0	0	0	0	0	112.7	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.87Å; Y147-A164 HydrophobicContact CE1-CB 4.48Å; Y147-A164 VanDerWaalsContact CE2-CA 3.48Å; Y147-A164 HydrophobicContact CE2-CB 3.71Å; Y147-A164 HydrophobicContact CG-CB 4.31Å; Y147-A164 WeakPolarHBondContact O-CB 3.45Å; A159-A164 HydrophobicContact CB-CB 3.68Å; D161-A164 PolarHBondContact O-N 2.86Å; D161-A164 PolarHBondContact OD1-N 3.05Å; A164-I166 PolarHBondContact O-N 3.28Å; A164-I166 VanDerWaalsContact O-N 3.16Å; A164-T167 PolarHBondContact O-N 3.27Å; A164-Q168 PolarHBondContact O-N 2.9Å
165	Q	98.7	Very high	98.3	Very high	71 Å²	71	63.8 Å²	63.8	33%	0.332	35%	0.348	S	S	.	.	H	α-helix	trans	-59	-24.9	172.8	-73.2	175.1	16.2	0	0	113.7	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.04Å; D161-Q165 WeakPolarHBondContact O-CG 3.44Å; D161-Q165 PolarHBondContact O-N 2.88Å; A163-Q165 VanDerWaalsContact C-N 3.3Å; A163-Q165 PolarHBondContact O-N 3.34Å; Q165-R169 VanDerWaalsContact O-CG 3.28Å; Q165-R169 WeakPolarHBondContact O-CG 3.18Å; Q165-R169 PolarHBondContact O-N 3.4Å
166	I	98.4	Very high	98.4	Very high	60 Å²	60	63.1 Å²	63.1	31%	0.308	34%	0.338	S	S	.	.	H	α-helix	trans	-70.1	-42	174.1	-55.9	171.8	0	0	0	110.1	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.02Å; Y108-I166 HydrophobicContact CD2-CD1 4.45Å; Y108-I166 HydrophobicContact CE1-CD1 4.39Å; Y108-I166 HydrophobicContact CE1-CG2 3.98Å; Y108-I166 HydrophobicContact CE2-CB 4.26Å; Y108-I166 HydrophobicContact CE2-CG2 4.17Å; Y108-I166 HydrophobicContact CG-CD1 4.06Å; A163-I166 WeakPolarHBondContact O-CB 3.46Å; A163-I166 PolarHBondContact O-N 2.87Å; A163-I166 VanDerWaalsContact O-N 3.11Å; A164-I166 PolarHBondContact O-N 3.28Å; A164-I166 VanDerWaalsContact O-N 3.16Å; I166-K170 WeakPolarHBondContact O-CG 3.28Å; I166-K170 PolarHBondContact O-N 2.84Å
167	T	98.3	Very high	98.4	Very high	17 Å²	17	61.6 Å²	61.6	10%	0.104	33%	0.328	C	S	.	.	H	α-helix	trans	-68.3	-45.1	175.4	-66.3	0	0	0	0	111	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 WeakPolarHBondContact OH-CB 3.45Å; Y147-T167 PolarHBondContact OH-OG1 2.97Å; I148-T167 HydrophobicContact CD1-CG2 4.13Å; A164-T167 PolarHBondContact O-N 3.27Å; T167-R169 PolarHBondContact O-N 2.85Å; T167-K170 WeakPolarHBondContact O-CB 3.44Å; T167-K170 PolarHBondContact O-N 2.83Å; T167-K170 VanDerWaalsContact O-N 3.07Å; T167-W171 HydrophobicContact CG2-CD2 3.66Å; T167-W171 VanDerWaalsContact CG2-CE2 3.5Å; T167-W171 HydrophobicContact CG2-CE3 4.1Å; T167-W171 HydrophobicContact CG2-CG 4.1Å; T167-W171 HydrophobicContact CG2-CH2 4.28Å; T167-W171 HydrophobicContact CG2-CZ2 3.84Å; T167-W171 HydrophobicContact CG2-CZ3 4.39Å; T167-W171 PolarHBondContact O-N 3.28Å
168	Q	98.6	Very high	98.4	Very high	40 Å²	40	66.4 Å²	66.4	19%	0.187	35%	0.351	C	S	.	.	H	α-helix	trans	-49.9	-54.7	175.2	175.5	172.5	12.2	0	0	112	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.94Å; W157-Q168 HydrophobicContact CB-CG 4.21Å; W157-Q168 PolarHBondContact O-NE2 2.78Å; A159-Q168 HydrophobicContact CB-CB 4.36Å; A159-Q168 VanDerWaalsContact CB-OE1 3.31Å; A164-Q168 PolarHBondContact O-N 2.9Å; Q168-K170 VanDerWaalsContact C-N 3.26Å; Q168-K170 PolarHBondContact O-N 3.49Å; Q168-W171 PolarHBondContact O-N 3.18Å; Q168-W171 VanDerWaalsContact O-N 3.1Å; Q168-E172 VanDerWaalsContact CG-CD 3.48Å; Q168-E172 HydrophobicContact CG-CG 4.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.15Å; Q168-E172 PolarHBondContact NE2-OE1 3.5Å; Q168-E172 WeakPolarHBondContact O-CB 3.32Å; Q168-E172 WeakPolarHBondContact O-CG 3.46Å; Q168-E172 PolarHBondContact O-N 2.6Å
169	R	98.6	Very high	98.3	Very high	152 Å²	152	68.2 Å²	68.2	57%	0.574	35%	0.354	S	S	*	.	H	α-helix	trans	-60.5	-34.1	-179.6	-68.3	168.6	-164.4	148.2	11.4	113	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.28Å; Q165-R169 WeakPolarHBondContact O-CG 3.18Å; Q165-R169 PolarHBondContact O-N 3.4Å; T167-R169 PolarHBondContact O-N 2.85Å; R169-A173 VanDerWaalsContact O-CB 3.27Å; R169-A173 WeakPolarHBondContact O-CB 3.14Å; R169-A173 PolarHBondContact O-N 3.42Å; R169-A173 VanDerWaalsContact O-N 3.13Å
170	K	98.1	Very high	98.3	Very high	112 Å²	112	69.3 Å²	69.3	49%	0.487	35%	0.353	S	S	.	.	H	α-helix	trans	-69.1	-44.5	175.3	-72.6	176	175.2	-174.9	0	111.2	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.01Å; I166-K170 WeakPolarHBondContact O-CG 3.28Å; I166-K170 PolarHBondContact O-N 2.84Å; T167-K170 WeakPolarHBondContact O-CB 3.44Å; T167-K170 PolarHBondContact O-N 2.83Å; T167-K170 VanDerWaalsContact O-N 3.07Å; Q168-K170 VanDerWaalsContact C-N 3.26Å; Q168-K170 PolarHBondContact O-N 3.49Å; K170-A173 PolarHBondContact O-N 3.06Å; K170-A174 VanDerWaalsContact O-CB 3.29Å; K170-A174 WeakPolarHBondContact O-CB 3.34Å; K170-A174 PolarHBondContact O-N 3.17Å
171	W	98.1	Very high	98.3	Very high	53 Å²	53	70.5 Å²	70.5	20%	0.201	34%	0.344	C	S	.	.	H	α-helix	trans	-70.8	-35.9	-179	-73.6	2.4	0	0	0	113	I148 W157 T167 Q168 A174 R175 E176	I148-W171 HydrophobicContact CD1-CE3 3.97Å; I148-W171 HydrophobicContact CD1-CZ3 4.22Å; I148-W171 HydrophobicContact CG2-CE3 4.4Å; I148-W171 HydrophobicContact CG2-CH2 3.98Å; I148-W171 HydrophobicContact CG2-CZ3 3.62Å; W157-W171 AromaticContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CZ3 4.5Å; W157-W171 AromaticContact CE2-CE3 3.83Å; W157-W171 AromaticContact CE3-CE3 3.79Å; W157-W171 HydrophobicContact CE3-CE3 3.79Å; W157-W171 AromaticContact CE3-CZ3 3.89Å; W157-W171 HydrophobicContact CE3-CZ3 3.89Å; W157-W171 AromaticContact CH2-CE3 3.52Å; W157-W171 HydrophobicContact CH2-CE3 3.52Å; W157-W171 AromaticContact CH2-CZ3 3.57Å; W157-W171 HydrophobicContact CH2-CZ3 3.57Å; W157-W171 HydrophobicContact CZ2-CD2 4.46Å; W157-W171 AromaticContact CZ2-CE3 3.64Å; W157-W171 HydrophobicContact CZ2-CE3 3.64Å; W157-W171 HydrophobicContact CZ2-CZ3 4.19Å; W157-W171 AromaticContact CZ3-CE3 3.59Å; W157-W171 HydrophobicContact CZ3-CE3 3.59Å; W157-W171 AromaticContact CZ3-CZ3 3.39Å; W157-W171 HydrophobicContact CZ3-CZ3 3.39Å; T167-W171 HydrophobicContact CG2-CD2 3.66Å; T167-W171 VanDerWaalsContact CG2-CE2 3.5Å; T167-W171 HydrophobicContact CG2-CE3 4.1Å; T167-W171 HydrophobicContact CG2-CG 4.1Å; T167-W171 HydrophobicContact CG2-CH2 4.28Å; T167-W171 HydrophobicContact CG2-CZ2 3.84Å; T167-W171 HydrophobicContact CG2-CZ3 4.39Å; T167-W171 PolarHBondContact O-N 3.28Å; Q168-W171 PolarHBondContact O-N 3.18Å; Q168-W171 VanDerWaalsContact O-N 3.1Å; W171-A174 CarbonylContact O-C 3.46Å; W171-A174 PolarHBondContact O-N 2.87Å; W171-R175 PolarHBondContact O-N 2.79Å; W171-E176 HydrophobicContact CB-CB 3.94Å; W171-E176 HydrophobicContact CB-CG 3.81Å; W171-E176 HydrophobicContact CD2-CG 4.45Å; W171-E176 HydrophobicContact CG-CB 4.17Å; W171-E176 HydrophobicContact CG-CG 3.77Å; W171-E176 PolarHBondContact O-N 2.98Å
172	E	98.5	Very high	98.3	Very high	93 Å²	93	71.1 Å²	71.1	44%	0.435	36%	0.357	S	S	.	.	H	α-helix	trans	-64.2	-47.4	170.4	-71.9	168.2	170.5	0	0	111.2	Q168 A174 R175	Q168-E172 VanDerWaalsContact CG-CD 3.48Å; Q168-E172 HydrophobicContact CG-CG 4.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.15Å; Q168-E172 PolarHBondContact NE2-OE1 3.5Å; Q168-E172 WeakPolarHBondContact O-CB 3.32Å; Q168-E172 WeakPolarHBondContact O-CG 3.46Å; Q168-E172 PolarHBondContact O-N 2.6Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 3.33Å; E172-R175 PolarHBondContact O-N 3.22Å; E172-R175 VanDerWaalsContact O-N 3.14Å
173	A	98.4	Very high	98.3	Very high	88 Å²	88	68.4 Å²	68.4	73%	0.727	33%	0.334	S	S	*	.	H	α-helix	trans	-63.6	-33.1	176.9	0	0	0	0	0	113.2	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.27Å; R169-A173 WeakPolarHBondContact O-CB 3.14Å; R169-A173 PolarHBondContact O-N 3.42Å; R169-A173 VanDerWaalsContact O-N 3.13Å; K170-A173 PolarHBondContact O-N 3.06Å
174	A	98.1	Very high	98.3	Very high	50 Å²	50	68.1 Å²	68.1	41%	0.413	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-1.8	176.2	0	0	0	0	0	114.2	K170 W171 E172 E176	K170-A174 VanDerWaalsContact O-CB 3.29Å; K170-A174 WeakPolarHBondContact O-CB 3.34Å; K170-A174 PolarHBondContact O-N 3.17Å; W171-A174 CarbonylContact O-C 3.46Å; W171-A174 PolarHBondContact O-N 2.87Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 3.33Å; A174-E176 HydrophobicContact CB-CG 4.15Å; A174-E176 PolarHBondContact O-N 3.46Å
175	R	97.9	Very high	98.3	Very high	158 Å²	158	73.3 Å²	73.3	60%	0.596	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	36.3	-176.8	-62.1	172.1	169.8	-124.7	6	114	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 2.79Å; E172-R175 PolarHBondContact O-N 3.22Å; E172-R175 VanDerWaalsContact O-N 3.14Å; R175-A177 PolarHBondContact O-N 3.49Å; R175-A177 VanDerWaalsContact O-N 3.17Å; R175-E178 HydrophobicContact CB-CB 4.49Å; R175-E178 HydrophobicContact CB-CG 4.18Å; R175-E178 WeakPolarHBondContact CD-OE1 3.16Å; R175-E178 IonicContact CZ-OE1 3.42Å; R175-E178 IonicContact NE-OE1 3.89Å; R175-E178 IonicContact NH1-OE1 3.65Å; R175-E178 PolarHBondContact NH1-OE1 3.39Å; R175-E178 IonicContact NH1-OE2 3.5Å; R175-E178 PolarHBondContact NH1-OE2 3.31Å; R175-E178 WeakPolarHBondContact O-CB 3.3Å; R175-E178 PolarHBondContact O-N 3.43Å
176	E	97.9	Very high	98.3	Very high	50 Å²	50	71 Å²	71	23%	0.234	35%	0.352	C	S	.	.	H	α-helix	trans	-54.3	-37.6	-179.5	-69.7	-73.9	168.3	0	0	112.3	W157 W171 A174 E178 Q179 W180	W157-E176 HydrophobicContact CZ2-CB 4.1Å; W171-E176 HydrophobicContact CB-CB 3.94Å; W171-E176 HydrophobicContact CB-CG 3.81Å; W171-E176 HydrophobicContact CD2-CG 4.45Å; W171-E176 HydrophobicContact CG-CB 4.17Å; W171-E176 HydrophobicContact CG-CG 3.77Å; W171-E176 PolarHBondContact O-N 2.98Å; A174-E176 HydrophobicContact CB-CG 4.15Å; A174-E176 PolarHBondContact O-N 3.46Å; E176-E178 VanDerWaalsContact C-N 3.27Å; E176-E178 PolarHBondContact O-N 2.92Å; E176-Q179 WeakPolarHBondContact O-CB 3.4Å; E176-Q179 PolarHBondContact O-N 2.7Å; E176-W180 VanDerWaalsContact O-CD1 3.25Å; E176-W180 PolarHBondContact O-N 2.81Å
177	A	98.4	Very high	98.2	Very high	8 Å²	8	72.2 Å²	72.2	7%	0.066	36%	0.359	C	S	.	.	H	α-helix	trans	-62	-31.2	179.2	0	0	0	0	0	113.4	L150 S155 W157 R175 Q179 W180 R181	L150-A177 HydrophobicContact CD1-CB 3.91Å; S155-A177 WeakPolarHBondContact O-CB 3.24Å; W157-A177 HydrophobicContact CZ2-CB 4.16Å; R175-A177 PolarHBondContact O-N 3.49Å; R175-A177 VanDerWaalsContact O-N 3.17Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-W180 PolarHBondContact O-N 2.99Å; A177-R181 VanDerWaalsContact O-CB 3.31Å; A177-R181 WeakPolarHBondContact O-CB 3.33Å; A177-R181 PolarHBondContact O-N 3.21Å
178	E	98.2	Very high	98.3	Very high	111 Å²	111	71.4 Å²	71.4	52%	0.519	35%	0.354	S	S	.	.	H	α-helix	trans	-66.2	-38	174.6	-63.2	177.5	-165.9	0	0	110.9	R175 E176 A182	R175-E178 HydrophobicContact CB-CB 4.49Å; R175-E178 HydrophobicContact CB-CG 4.18Å; R175-E178 WeakPolarHBondContact CD-OE1 3.16Å; R175-E178 IonicContact CZ-OE1 3.42Å; R175-E178 IonicContact NE-OE1 3.89Å; R175-E178 IonicContact NH1-OE1 3.65Å; R175-E178 PolarHBondContact NH1-OE1 3.39Å; R175-E178 IonicContact NH1-OE2 3.5Å; R175-E178 PolarHBondContact NH1-OE2 3.31Å; R175-E178 WeakPolarHBondContact O-CB 3.3Å; R175-E178 PolarHBondContact O-N 3.43Å; E176-E178 VanDerWaalsContact C-N 3.27Å; E176-E178 PolarHBondContact O-N 2.92Å; E178-A182 WeakPolarHBondContact O-CB 3.27Å; E178-A182 PolarHBondContact O-N 2.88Å; E178-A182 VanDerWaalsContact O-N 3.14Å
179	Q	97.8	Very high	98.3	Very high	118 Å²	118	69.8 Å²	69.8	55%	0.551	35%	0.346	S	S	*	.	H	α-helix	trans	-70.8	-44	177.1	-56.9	-177.9	51.2	0	0	111.3	E176 A177 A182 Y183	E176-Q179 WeakPolarHBondContact O-CB 3.4Å; E176-Q179 PolarHBondContact O-N 2.7Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; Q179-A182 PolarHBondContact O-N 2.79Å; Q179-Y183 PolarHBondContact O-N 3.24Å
180	W	98.2	Very high	98.2	Very high	44 Å²	44	68.1 Å²	68.1	17%	0.167	35%	0.345	C	S	.	.	H	α-helix	trans	-65.9	-40.9	177.3	-78	99.6	0	0	0	112.4	Y123 D138 L150 E176 A177 A182 Y183 L184	Y123-W180 HydrophobicContact CD2-CH2 4.42Å; Y123-W180 AromaticContact CD2-CZ3 3.8Å; Y123-W180 HydrophobicContact CD2-CZ3 3.8Å; Y123-W180 HydrophobicContact CE2-CZ3 4.33Å; Y123-W180 HydrophobicContact CG-CH2 4.35Å; Y123-W180 AromaticContact CG-CZ3 3.95Å; Y123-W180 HydrophobicContact CG-CZ3 3.95Å; D138-W180 HydrophobicContact CB-CE3 4.39Å; L150-W180 HydrophobicContact CD2-CB 4.01Å; E176-W180 VanDerWaalsContact O-CD1 3.25Å; E176-W180 PolarHBondContact O-N 2.81Å; A177-W180 PolarHBondContact O-N 2.99Å; W180-A182 PolarHBondContact O-N 2.95Å; W180-Y183 HydrophobicContact CE3-CD1 4.12Å; W180-Y183 AromaticContact CZ3-CD1 3.93Å; W180-Y183 HydrophobicContact CZ3-CD1 3.93Å; W180-Y183 HydrophobicContact CZ3-CE1 4.31Å; W180-Y183 PolarHBondContact O-N 3.18Å; W180-L184 VanDerWaalsContact O-CB 3.28Å; W180-L184 WeakPolarHBondContact O-CB 3.44Å; W180-L184 WeakPolarHBondContact O-CD1 3.42Å; W180-L184 WeakPolarHBondContact O-CG 3.42Å; W180-L184 PolarHBondContact O-N 3.07Å
181	R	98.4	Very high	98.3	Very high	89 Å²	89	64.8 Å²	64.8	34%	0.336	33%	0.329	S	S	.	.	H	α-helix	trans	-57.1	-49.8	171.3	-174.1	-174.5	-72.5	-170.7	-12	111.4	D153 L154 A177 Y183 L184 E185	D153-R181 PolarHBondContact O-NH2 2.8Å; L154-R181 HydrophobicContact CB-CB 4.11Å; L154-R181 HydrophobicContact CB-CG 4Å; L154-R181 HydrophobicContact CD1-CG 4.34Å; L154-R181 PolarHBondContact O-NE 3.17Å; L154-R181 PolarHBondContact O-NH2 2.86Å; A177-R181 VanDerWaalsContact O-CB 3.31Å; A177-R181 WeakPolarHBondContact O-CB 3.33Å; A177-R181 PolarHBondContact O-N 3.21Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 2.81Å; R181-L184 PolarHBondContact O-N 3.48Å; R181-E185 WeakPolarHBondContact CD-OE1 3.44Å; R181-E185 HydrophobicContact CG-CG 4Å; R181-E185 VanDerWaalsContact CG-OE1 3.31Å; R181-E185 WeakPolarHBondContact CG-OE1 3.29Å; R181-E185 WeakPolarHBondContact CG-OE2 3.4Å; R181-E185 WeakPolarHBondContact O-CB 3.44Å; R181-E185 WeakPolarHBondContact O-CG 3.27Å; R181-E185 PolarHBondContact O-N 3.13Å
182	A	98.4	Very high	98.3	Very high	65 Å²	65	62.2 Å²	62.2	54%	0.537	32%	0.32	S	S	.	.	H	α-helix	trans	-60.7	-37.7	-180	0	0	0	0	0	113	E178 Q179 W180 G186	E178-A182 WeakPolarHBondContact O-CB 3.27Å; E178-A182 PolarHBondContact O-N 2.88Å; E178-A182 VanDerWaalsContact O-N 3.14Å; Q179-A182 PolarHBondContact O-N 2.79Å; W180-A182 PolarHBondContact O-N 2.95Å; A182-G186 PolarHBondContact O-N 3.38Å
183	Y	98.4	Very high	98.2	Very high	52 Å²	52	63.5 Å²	63.5	20%	0.204	32%	0.32	C	S	.	.	I	π-helix	trans	-67.5	-46.6	172.9	172.8	-98.5	0	0	0	112.4	Y123 Q179 W180 R181 L187 C188	Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 3.76Å; Y123-Y183 HydrophobicContact CE2-CE1 3.76Å; Y123-Y183 AromaticContact CE2-CZ 3.99Å; Q179-Y183 PolarHBondContact O-N 3.24Å; W180-Y183 HydrophobicContact CE3-CD1 4.12Å; W180-Y183 AromaticContact CZ3-CD1 3.93Å; W180-Y183 HydrophobicContact CZ3-CD1 3.93Å; W180-Y183 HydrophobicContact CZ3-CE1 4.31Å; W180-Y183 PolarHBondContact O-N 3.18Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 2.81Å; Y183-L187 HydrophobicContact CD2-CB 3.87Å; Y183-L187 HydrophobicContact CD2-CD1 4.17Å; Y183-L187 HydrophobicContact CE2-CB 4.05Å; Y183-L187 PolarHBondContact O-N 3.1Å; Y183-C188 HydrophobicContact CD1-CB 4.33Å; Y183-C188 HydrophobicContact CE1-CB 3.88Å; Y183-C188 WeakPolarHBondContact O-CB 3.06Å; Y183-C188 PolarHBondContact O-N 2.88Å
184	L	98.6	Very high	98.2	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	31%	0.308	C	S	.	.	I	π-helix	trans	-71.9	-38.8	-173.8	-70	170.5	0	0	0	112.9	G124 L150 L154 W180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.29Å; L150-L184 HydrophobicContact CD2-CD1 3.93Å; L154-L184 HydrophobicContact CD2-CD1 4Å; W180-L184 VanDerWaalsContact O-CB 3.28Å; W180-L184 WeakPolarHBondContact O-CB 3.44Å; W180-L184 WeakPolarHBondContact O-CD1 3.42Å; W180-L184 WeakPolarHBondContact O-CG 3.42Å; W180-L184 PolarHBondContact O-N 3.07Å; R181-L184 PolarHBondContact O-N 3.48Å; L184-V189 WeakPolarHBondContact O-CG2 3.38Å
185	E	98.2	Very high	98.2	Very high	108 Å²	108	62.8 Å²	62.8	51%	0.505	29%	0.288	S	S	.	.	I	π-helix	trans	-78.4	-30.3	177.3	-68.3	178.2	170.9	0	0	112.9	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.48Å; L133-E185 HydrophobicContact CD2-CG 3.75Å; L154-E185 HydrophobicContact CD1-CG 4.3Å; R181-E185 WeakPolarHBondContact CD-OE1 3.44Å; R181-E185 HydrophobicContact CG-CG 4Å; R181-E185 VanDerWaalsContact CG-OE1 3.31Å; R181-E185 WeakPolarHBondContact CG-OE1 3.29Å; R181-E185 WeakPolarHBondContact CG-OE2 3.4Å; R181-E185 WeakPolarHBondContact O-CB 3.44Å; R181-E185 WeakPolarHBondContact O-CG 3.27Å; R181-E185 PolarHBondContact O-N 3.13Å
186	G	98.1	Very high	98.1	Very high	23 Å²	23	55.9 Å²	55.9	24%	0.237	26%	0.263	C	S	.	.	I	π-helix	trans	-101.4	-95.2	-179.6	0	0	0	0	0	112.9	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.38Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 2.9Å; G186-C188 VanDerWaalsContact O-N 3.15Å; G186-V189 PolarHBondContact O-N 2.88Å; G186-E190 WeakPolarHBondContact O-CG 3.47Å; G186-E190 PolarHBondContact O-N 3.37Å
187	L	97.9	Very high	98.1	Very high	86 Å²	86	58.9 Å²	58.9	45%	0.45	28%	0.277	S	S	.	.	I	π-helix	trans	-53.6	-39.8	-168.5	-70.6	174.5	0	0	0	113.8	Y183 E190 W191	Y183-L187 HydrophobicContact CD2-CB 3.87Å; Y183-L187 HydrophobicContact CD2-CD1 4.17Å; Y183-L187 HydrophobicContact CE2-CB 4.05Å; Y183-L187 PolarHBondContact O-N 3.1Å; L187-E190 PolarHBondContact O-N 2.69Å; L187-W191 WeakPolarHBondContact O-CB 3.35Å; L187-W191 PolarHBondContact O-N 3.31Å
188	C	98.6	Very high	98	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.3	-48	179.2	-170.6	0	0	0	0	111.4	M29 C125 Y183 G186 L192	M29-C188 HydrophobicContact CE-CB 4.19Å; M29-C188 WeakPolarHBondContact CE-O 3.21Å; M29-C188 WeakPolarHBondContact CE-SG 3.32Å; C125-C188 HydrophobicContact CB-CB 3.88Å; C125-C188 WeakPolarHBondContact CB-SG 3.21Å; C125-C188 PolarHBondContact N-SG 2.79Å; C125-C188 WeakPolarHBondContact SG-CB 3.18Å; C125-C188 PolarHBondContact SG-O 3.37Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.65Å; Y183-C188 HydrophobicContact CD1-CB 4.33Å; Y183-C188 HydrophobicContact CE1-CB 3.88Å; Y183-C188 WeakPolarHBondContact O-CB 3.06Å; Y183-C188 PolarHBondContact O-N 2.88Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 2.9Å; G186-C188 VanDerWaalsContact O-N 3.15Å; C188-L192 VanDerWaalsContact O-CB 3.32Å; C188-L192 WeakPolarHBondContact O-CB 3.34Å; C188-L192 PolarHBondContact O-N 2.68Å
189	V	98.6	Very high	97.9	Very high	5 Å²	5	55.9 Å²	55.9	3%	0.03	26%	0.264	C	S	.	.	H	α-helix	trans	-66	-41.1	178.1	173.7	0	0	0	0	111.4	V127 G131 L133 L184 G186 R193	V127-V189 HydrophobicContact CG1-CB 4.45Å; V127-V189 HydrophobicContact CG1-CG1 4.09Å; V127-V189 HydrophobicContact CG1-CG2 3.94Å; G131-V189 WeakPolarHBondContact O-CG1 3.22Å; L133-V189 HydrophobicContact CB-CG2 4.03Å; L133-V189 HydrophobicContact CD1-CG2 3.89Å; L184-V189 WeakPolarHBondContact O-CG2 3.38Å; G186-V189 PolarHBondContact O-N 2.88Å; V189-R193 WeakPolarHBondContact O-CB 3.44Å; V189-R193 VanDerWaalsContact O-CG 3.26Å; V189-R193 WeakPolarHBondContact O-CG 3.49Å; V189-R193 PolarHBondContact O-N 2.98Å
190	E	98.4	Very high	97.7	Very high	117 Å²	117	54.7 Å²	54.7	55%	0.547	26%	0.257	S	S	.	.	H	α-helix	trans	-62.1	-47.6	177.4	-70.5	177.4	173	0	0	112.3	G186 L187 R194	G186-E190 WeakPolarHBondContact O-CG 3.47Å; G186-E190 PolarHBondContact O-N 3.37Å; L187-E190 PolarHBondContact O-N 2.69Å; E190-R194 PolarHBondContact O-N 2.96Å; E190-R194 VanDerWaalsContact O-N 3.08Å
191	W	98.3	Very high	97.4	Very high	42 Å²	42	60.7 Å²	60.7	16%	0.159	29%	0.287	C	S	.	.	H	α-helix	trans	-67.9	-41.5	177.8	-80.7	105.8	0	0	0	112.3	M29 Y83 R86 L187 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.09Å; M29-W191 HydrophobicContact SD-CB 4.44Å; Y83-W191 AromaticContact CD2-CH2 3.67Å; Y83-W191 HydrophobicContact CD2-CH2 3.67Å; Y83-W191 HydrophobicContact CD2-CZ2 4.29Å; Y83-W191 AromaticContact CD2-CZ3 3.95Å; Y83-W191 HydrophobicContact CD2-CZ3 3.95Å; Y83-W191 HydrophobicContact CE2-CE3 4.47Å; Y83-W191 HydrophobicContact CE2-CH2 4.13Å; Y83-W191 HydrophobicContact CE2-CZ3 4.01Å; R86-W191 VanDerWaalsContact NH2-CZ2 3.3Å; L187-W191 WeakPolarHBondContact O-CB 3.35Å; L187-W191 PolarHBondContact O-N 3.31Å; W191-R193 PolarHBondContact O-N 2.91Å; W191-R194 WeakPolarHBondContact O-CB 3.39Å; W191-R194 PolarHBondContact O-N 2.75Å; W191-Y195 HydrophobicContact CB-CE2 4.07Å; W191-Y195 HydrophobicContact CE3-CD1 4.4Å; W191-Y195 AromaticContact CE3-CE1 3.47Å; W191-Y195 HydrophobicContact CE3-CE1 3.47Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.47Å; W191-Y195 HydrophobicContact CE3-CE2 4.4Å; W191-Y195 AromaticContact CE3-CZ 3.46Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.46Å; W191-Y195 AromaticContact CZ3-CE1 3.89Å; W191-Y195 HydrophobicContact CZ3-CE1 3.89Å; W191-Y195 VanDerWaalsContact O-CD2 3.3Å; W191-Y195 WeakPolarHBondContact O-CD2 3.48Å; W191-Y195 PolarHBondContact O-N 2.87Å
192	L	98.5	Very high	97.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.1	-47	175	174.2	52.7	0	0	0	111.4	H27 M29 V52 V127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.42Å; M29-L192 HydrophobicContact CB-CB 3.99Å; M29-L192 HydrophobicContact CB-CD1 4Å; M29-L192 HydrophobicContact CB-CD2 4.08Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.44Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; V127-L192 HydrophobicContact CB-CD2 4.37Å; V127-L192 HydrophobicContact CG1-CD2 3.95Å; V127-L192 HydrophobicContact CG2-CD2 3.61Å; V127-L192 HydrophobicContact CG2-CG 4.22Å; C188-L192 VanDerWaalsContact O-CB 3.32Å; C188-L192 WeakPolarHBondContact O-CB 3.34Å; C188-L192 PolarHBondContact O-N 2.68Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 2.9Å; L192-Y195 PolarHBondContact O-N 3.14Å; L192-L196 HydrophobicContact CD1-CD1 3.78Å; L192-L196 HydrophobicContact CD1-CD2 4.35Å; L192-L196 HydrophobicContact CD1-CG 3.81Å; L192-L196 HydrophobicContact CG-CD1 3.95Å; L192-L196 HydrophobicContact CG-CG 4.44Å; L192-L196 WeakPolarHBondContact O-CB 3.33Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 3.04Å
193	R	97.6	Very high	96.8	Very high	119 Å²	119	55.7 Å²	55.7	45%	0.449	26%	0.26	S	S	.	.	H	α-helix	trans	-58.9	-42.7	175.3	-72	172.5	-175.1	175.1	3.9	112.4	G131 V189 W191 L196 E197	G131-R193 VanDerWaalsContact O-CZ 3.23Å; G131-R193 PolarHBondContact O-NE 3.02Å; G131-R193 PolarHBondContact O-NH2 2.77Å; V189-R193 WeakPolarHBondContact O-CB 3.44Å; V189-R193 VanDerWaalsContact O-CG 3.26Å; V189-R193 WeakPolarHBondContact O-CG 3.49Å; V189-R193 PolarHBondContact O-N 2.98Å; W191-R193 PolarHBondContact O-N 2.91Å; R193-L196 PolarHBondContact O-N 2.91Å; R193-E197 PolarHBondContact O-N 3.43Å; R193-E197 VanDerWaalsContact O-N 3.13Å
194	R	97.6	Very high	96.5	Very high	122 Å²	122	57.5 Å²	57.5	46%	0.46	27%	0.27	S	S	.	.	H	α-helix	trans	-61.3	-45.5	175.7	178.3	178.9	174.3	119	-5.7	111.5	E79 E190 W191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.32Å; E79-R194 IonicContact OE1-CZ 3.24Å; E79-R194 IonicContact OE1-NE 3.99Å; E79-R194 PolarHBondContact OE1-NE 3.23Å; E79-R194 IonicContact OE1-NH2 3.7Å; E79-R194 PolarHBondContact OE1-NH2 2.73Å; E79-R194 VanDerWaalsContact OE1-NH2 3.15Å; E79-R194 IonicContact OE2-CZ 2.98Å; E79-R194 IonicContact OE2-NE 2.69Å; E79-R194 IonicContact OE2-NH2 2.91Å; E79-R194 PolarHBondContact OE2-NH2 2.88Å; E190-R194 PolarHBondContact O-N 2.96Å; E190-R194 VanDerWaalsContact O-N 3.08Å; W191-R194 WeakPolarHBondContact O-CB 3.39Å; W191-R194 PolarHBondContact O-N 2.75Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 2.9Å; R194-E197 PolarHBondContact O-N 3.39Å; R194-N198 VanDerWaalsContact O-CB 3.25Å; R194-N198 WeakPolarHBondContact O-CB 3.27Å; R194-N198 PolarHBondContact O-N 3.17Å; R194-N198 PolarHBondContact O-OD1 3.41Å
195	Y	97.9	Very high	96.2	Very high	1 Å²	1	63 Å²	63	0%	0.004	29%	0.291	C	S	.	.	H	α-helix	trans	-65.8	-39.2	178	-61.6	-26.2	0	0	0	112.6	M29 V52 F57 W75 I76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.73Å; M29-Y195 HydrophobicContact SD-CE2 3.52Å; M29-Y195 VanDerWaalsContact SD-CE2 3.52Å; V52-Y195 HydrophobicContact CG2-CD2 3.93Å; V52-Y195 HydrophobicContact CG2-CG 4.46Å; F57-Y195 HydrophobicContact CD2-CE2 4.39Å; F57-Y195 HydrophobicContact CE2-CD2 4.1Å; F57-Y195 AromaticContact CE2-CE2 3.5Å; F57-Y195 HydrophobicContact CE2-CE2 3.5Å; F57-Y195 AromaticContact CE2-CZ 3.81Å; F57-Y195 HydrophobicContact CZ-CD2 4.12Å; F57-Y195 AromaticContact CZ-CE2 3.61Å; F57-Y195 HydrophobicContact CZ-CE2 3.61Å; W75-Y195 HydrophobicContact CE3-CD1 4.49Å; W75-Y195 HydrophobicContact CH2-CD2 4.5Å; W75-Y195 HydrophobicContact CH2-CG 4.13Å; W75-Y195 AromaticContact CZ3-CD1 3.75Å; W75-Y195 HydrophobicContact CZ3-CD1 3.75Å; W75-Y195 HydrophobicContact CZ3-CD2 4.34Å; W75-Y195 AromaticContact CZ3-CG 3.63Å; W75-Y195 HydrophobicContact CZ3-CG 3.63Å; I76-Y195 HydrophobicContact CD1-CD1 3.83Å; I76-Y195 HydrophobicContact CD1-CE1 3.3Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.27Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.41Å; Y83-Y195 PolarHBondContact OH-OH 2.87Å; Y83-Y195 VanDerWaalsContact OH-OH 3.05Å; W191-Y195 HydrophobicContact CB-CE2 4.07Å; W191-Y195 HydrophobicContact CE3-CD1 4.4Å; W191-Y195 AromaticContact CE3-CE1 3.47Å; W191-Y195 HydrophobicContact CE3-CE1 3.47Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.47Å; W191-Y195 HydrophobicContact CE3-CE2 4.4Å; W191-Y195 AromaticContact CE3-CZ 3.46Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.46Å; W191-Y195 AromaticContact CZ3-CE1 3.89Å; W191-Y195 HydrophobicContact CZ3-CE1 3.89Å; W191-Y195 VanDerWaalsContact O-CD2 3.3Å; W191-Y195 WeakPolarHBondContact O-CD2 3.48Å; W191-Y195 PolarHBondContact O-N 2.87Å; L192-Y195 PolarHBondContact O-N 3.14Å; Y195-E197 VanDerWaalsContact C-N 3.35Å; Y195-E197 PolarHBondContact O-N 2.92Å; Y195-N198 PolarHBondContact O-N 3.26Å; Y195-G199 WeakPolarHBondContact O-CA 3.38Å; Y195-G199 PolarHBondContact O-N 2.93Å; Y195-L203 WeakPolarHBondContact O-CD1 3.05Å
196	L	96.9	Very high	96.1	Very high	13 Å²	13	59.2 Å²	59.2	7%	0.068	28%	0.278	C	S	.	.	H	α-helix	trans	-63.3	-36.7	175.9	-71.8	168.9	0	0	0	112.9	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 3.97Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 VanDerWaalsContact CG-CD2 3.5Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.49Å; V52-L196 HydrophobicContact CG1-CD2 4Å; L192-L196 HydrophobicContact CD1-CD1 3.78Å; L192-L196 HydrophobicContact CD1-CD2 4.35Å; L192-L196 HydrophobicContact CD1-CG 3.81Å; L192-L196 HydrophobicContact CG-CD1 3.95Å; L192-L196 HydrophobicContact CG-CG 4.44Å; L192-L196 WeakPolarHBondContact O-CB 3.33Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 3.04Å; R193-L196 PolarHBondContact O-N 2.91Å; L196-K200 VanDerWaalsContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CA 3.21Å; L196-K200 WeakPolarHBondContact O-CB 3.36Å; L196-K200 PolarHBondContact O-N 2.95Å; L196-K200 VanDerWaalsContact O-N 3.14Å; L196-L203 HydrophobicContact CD2-CB 4.09Å; L196-L203 HydrophobicContact CD2-CD1 4.3Å; L196-Q204 HydrophobicContact CD2-CG 4.49Å; L196-Q204 PolarHBondContact O-NE2 2.9Å
197	E	96.3	Very high	96	Very high	113 Å²	113	59.9 Å²	59.9	53%	0.528	28%	0.277	S	S	.	.	H	α-helix	trans	-75.9	-45.3	174.2	-168.3	61	-158.3	0	0	111.3	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.43Å; R193-E197 VanDerWaalsContact O-N 3.13Å; R194-E197 PolarHBondContact O-N 3.39Å; Y195-E197 VanDerWaalsContact C-N 3.35Å; Y195-E197 PolarHBondContact O-N 2.92Å; E197-G199 VanDerWaalsContact C-N 3.28Å; E197-G199 PolarHBondContact O-N 2.97Å; E197-K200 VanDerWaalsContact CD-NZ 3.32Å; E197-K200 WeakPolarHBondContact O-CB 3.42Å; E197-K200 PolarHBondContact O-N 3.4Å; E197-K200 IonicContact OE1-NZ 2.79Å; E197-K200 PolarHBondContact OE1-NZ 2.78Å; E197-K200 IonicContact OE2-NZ 3.89Å; E197-K200 PolarHBondContact OE2-NZ 3.4Å
198	N	96.6	Very high	96	Very high	52 Å²	52	58.9 Å²	58.9	28%	0.278	28%	0.275	S	S	.	.	H	α-helix	trans	-57	-38.9	176.1	-78.9	4.4	0	0	0	112.9	W75 Q78 E79 R194 Y195	W75-N198 WeakPolarHBondContact CB-O 3.45Å; Q78-N198 VanDerWaalsContact NE2-CB 3.33Å; E79-N198 PolarHBondContact OE1-ND2 2.73Å; R194-N198 VanDerWaalsContact O-CB 3.25Å; R194-N198 WeakPolarHBondContact O-CB 3.27Å; R194-N198 PolarHBondContact O-N 3.17Å; R194-N198 PolarHBondContact O-OD1 3.41Å; Y195-N198 PolarHBondContact O-N 3.26Å
199	G	95.8	Very high	96	Very high	4 Å²	4	59.3 Å²	59.3	4%	0.041	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	11.6	-176.4	0	0	0	0	0	114.8	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.38Å; Y195-G199 PolarHBondContact O-N 2.93Å; E197-G199 VanDerWaalsContact C-N 3.28Å; E197-G199 PolarHBondContact O-N 2.97Å; G199-E201 PolarHBondContact O-N 3.47Å; G199-E201 VanDerWaalsContact O-N 3.16Å; G199-T202 CarbonylContact O-C 3.57Å; G199-T202 WeakPolarHBondContact O-CA 3.39Å; G199-T202 PolarHBondContact O-N 2.88Å; G199-T202 PolarHBondContact O-OG1 2.84Å; G199-L203 PolarHBondContact O-N 3.11Å
200	K	94	Very high	96	Very high	93 Å²	93	66.4 Å²	66.4	40%	0.404	31%	0.309	S	S	.	.	H	α-helix	trans	-46.1	-47.1	-167.8	-174.2	175.5	-155.3	145.5	0	115.8	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CA 3.21Å; L196-K200 WeakPolarHBondContact O-CB 3.36Å; L196-K200 PolarHBondContact O-N 2.95Å; L196-K200 VanDerWaalsContact O-N 3.14Å; E197-K200 VanDerWaalsContact CD-NZ 3.32Å; E197-K200 WeakPolarHBondContact O-CB 3.42Å; E197-K200 PolarHBondContact O-N 3.4Å; E197-K200 IonicContact OE1-NZ 2.79Å; E197-K200 PolarHBondContact OE1-NZ 2.78Å; E197-K200 IonicContact OE2-NZ 3.89Å; E197-K200 PolarHBondContact OE2-NZ 3.4Å; K200-T202 PolarHBondContact O-N 2.96Å; K200-T202 VanDerWaalsContact O-N 3.09Å; K200-Q204 PolarHBondContact O-N 3.39Å
201	E	91.8	Very high	95.9	Very high	170 Å²	170	62.5 Å²	62.5	79%	0.794	29%	0.293	S	S	*	.	H	α-helix	trans	-61.2	-19.2	179.3	-59.4	-171.7	158.2	0	0	114	G199 R205	G199-E201 PolarHBondContact O-N 3.47Å; G199-E201 VanDerWaalsContact O-N 3.16Å; E201-R205 PolarHBondContact O-NH1 3.04Å
202	T	92.1	Very high	95.9	Very high	45 Å²	45	64.3 Å²	64.3	28%	0.276	30%	0.303	S	S	.	.	H	α-helix	trans	-106.3	-61.7	177	60.5	0	0	0	0	111.3	G199 K200 Q204 R205 R263	G199-T202 CarbonylContact O-C 3.57Å; G199-T202 WeakPolarHBondContact O-CA 3.39Å; G199-T202 PolarHBondContact O-N 2.88Å; G199-T202 PolarHBondContact O-OG1 2.84Å; K200-T202 PolarHBondContact O-N 2.96Å; K200-T202 VanDerWaalsContact O-N 3.09Å; T202-Q204 PolarHBondContact O-N 2.89Å; T202-R205 PolarHBondContact O-N 2.89Å; T202-R263 VanDerWaalsContact O-CZ 3.26Å; T202-R263 PolarHBondContact O-NH1 3.07Å; T202-R263 PolarHBondContact O-NH2 2.87Å
203	L	93.3	Very high	95.9	Very high	4 Å²	4	65.3 Å²	65.3	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-66.2	-39.9	-168.8	-62.8	173.9	0	0	0	113	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.28Å; V52-L203 HydrophobicContact CB-CD2 4.2Å; V52-L203 HydrophobicContact CG1-CD1 3.91Å; V52-L203 HydrophobicContact CG1-CD2 4.14Å; T55-L203 HydrophobicContact CG2-CD2 4.05Å; W75-L203 HydrophobicContact CD2-CD1 4.39Å; W75-L203 HydrophobicContact CH2-CD1 4.26Å; W75-L203 HydrophobicContact CZ2-CD1 3.76Å; W75-L203 HydrophobicContact CZ2-CD2 4.02Å; W75-L203 HydrophobicContact CZ2-CG 4.3Å; Y195-L203 WeakPolarHBondContact O-CD1 3.05Å; L196-L203 HydrophobicContact CD2-CB 4.09Å; L196-L203 HydrophobicContact CD2-CD1 4.3Å; G199-L203 PolarHBondContact O-N 3.11Å; L203-R205 VanDerWaalsContact C-N 3.27Å; L203-R205 PolarHBondContact O-N 3.21Å
204	Q	91.9	Very high	95.9	Very high	91 Å²	91	61.2 Å²	61.2	43%	0.425	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	17.8	179.7	-57.4	179	35.5	0	0	112.5	L196 K200 T202	L196-Q204 HydrophobicContact CD2-CG 4.49Å; L196-Q204 PolarHBondContact O-NE2 2.9Å; K200-Q204 PolarHBondContact O-N 3.39Å; T202-Q204 PolarHBondContact O-N 2.89Å
205	R	92.8	Very high	95.8	Very high	114 Å²	114	58 Å²	58	43%	0.43	29%	0.287	S	S	.	.			trans	-113.8	111.5	178.5	-167.9	-174.5	80.2	-134.8	5.8	110.5	E201 T202 L203 D207 Y233	E201-R205 PolarHBondContact O-NH1 3.04Å; T202-R205 PolarHBondContact O-N 2.89Å; L203-R205 VanDerWaalsContact C-N 3.27Å; L203-R205 PolarHBondContact O-N 3.21Å; R205-D207 IonicContact CZ-OD1 3.41Å; R205-D207 IonicContact CZ-OD2 3.01Å; R205-D207 IonicContact NE-OD1 2.81Å; R205-D207 PolarHBondContact NE-OD1 3.17Å; R205-D207 IonicContact NE-OD2 3.72Å; R205-D207 PolarHBondContact NE-OD2 2.76Å; R205-D207 IonicContact NH2-OD1 2.98Å; R205-D207 PolarHBondContact NH2-OD1 3.16Å; R205-D207 IonicContact NH2-OD2 3.64Å; R205-D207 PolarHBondContact NH2-OD2 2.82Å; R205-Y233 WeakPolarHBondContact O-CD1 3.5Å
206	A	94.9	Very high	95.7	Very high	29 Å²	29	62 Å²	62	24%	0.24	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-81.2	123.3	167.2	0	0	0	0	0	110.3	Y233 E288	A206-Y233 CarbonylContact C-O 3.49Å; A206-Y233 VanDerWaalsContact CA-O 3.22Å; A206-Y233 WeakPolarHBondContact CA-O 3.45Å; A206-E288 HydrophobicContact CB-CB 4.19Å; A206-E288 HydrophobicContact CB-CG 4.29Å
207	D	96.4	Very high	95.6	Very high	38 Å²	38	66 Å²	66	20%	0.203	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-98.9	118.7	174.8	-69.9	-35.6	0	0	0	108.3	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD1 3.41Å; R205-D207 IonicContact CZ-OD2 3.01Å; R205-D207 IonicContact NE-OD1 2.81Å; R205-D207 PolarHBondContact NE-OD1 3.17Å; R205-D207 IonicContact NE-OD2 3.72Å; R205-D207 PolarHBondContact NE-OD2 2.76Å; R205-D207 IonicContact NH2-OD1 2.98Å; R205-D207 PolarHBondContact NH2-OD1 3.16Å; R205-D207 IonicContact NH2-OD2 3.64Å; R205-D207 PolarHBondContact NH2-OD2 2.82Å; D207-F232 CarbonylContact O-C 3.54Å; D207-F232 WeakPolarHBondContact O-CA 3.27Å; D207-F232 WeakPolarHBondContact O-CB 3.29Å; D207-Y233 PolarHBondContact N-O 3.02Å; D207-Y233 PolarHBondContact O-N 3.3Å; D207-H287 PolarHBondContact O-CE1 2.98Å; D207-H287 VanDerWaalsContact O-CE1 3.28Å
208	P	97.6	Very high	95.4	Very high	65 Å²	65	65.2 Å²	65.2	42%	0.422	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-74.1	150.2	-173.8	25.5	-33.1	0	0	0	114	K210 L290	P208-K210 PolarHBondContact O-N 2.87Å; P208-L290 HydrophobicContact CB-CD2 3.93Å
209	P	98.3	Very high	95.2	Very high	9 Å²	9	65.4 Å²	65.4	6%	0.058	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-67.4	132.6	-179.8	27.8	-36	0	0	0	112.9	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.98Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 2.67Å; P209-A229 HydrophobicContact CB-CB 3.82Å; P209-F232 HydrophobicContact CB-CB 3.91Å; P209-F232 HydrophobicContact CB-CD1 3.89Å; P209-F232 HydrophobicContact CB-CG 4.16Å; P209-I237 HydrophobicContact CB-CD1 4.07Å; P209-I237 HydrophobicContact CG-CD1 4.12Å; P209-V285 HydrophobicContact CG-CG1 3.98Å; P209-H287 HydrophobicContact CG-CB 4.08Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.33Å; P209-L290 HydrophobicContact CG-CG 4.18Å
210	K	98.4	Very high	94.9	Very high	154 Å²	154	72.3 Å²	72.3	67%	0.67	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	101.2	165.2	-64	168	-173.1	164.4	0	108	P208 L230	P208-K210 PolarHBondContact O-N 2.87Å; K210-L230 WeakPolarHBondContact CB-O 3.31Å; K210-L230 PolarHBondContact N-O 2.94Å; K210-L230 PolarHBondContact O-N 2.86Å; K210-L230 VanDerWaalsContact O-N 3.15Å
211	T	98.2	Very high	94.9	Very high	35 Å²	35	74.7 Å²	74.7	22%	0.215	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	138.6	-172.4	53.4	0	0	0	0	113.2	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.98Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 2.67Å; T211-W228 WeakPolarHBondContact CA-O 3.5Å; T211-A229 HydrophobicContact CG2-CB 4.4Å; T211-V285 HydrophobicContact CG2-CB 4.29Å; T211-V285 HydrophobicContact CG2-CG1 4.04Å; T211-V285 HydrophobicContact CG2-CG2 3.96Å; T211-L294 HydrophobicContact CG2-CD1 4.18Å; T211-L296 HydrophobicContact CG2-CD1 4.42Å
212	H	97.4	Very high	95.1	Very high	79 Å²	79	71 Å²	71	37%	0.366	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	158.4	170.8	65.7	-74.3	0	0	0	111.3	W228	H212-W228 VanDerWaalsContact CE1-CB 3.48Å; H212-W228 WeakPolarHBondContact CE1-CB 3.31Å; H212-W228 AromaticContact CE1-CD1 3.83Å; H212-W228 AromaticContact CE1-CG 3.68Å; H212-W228 PolarHBondContact N-O 3.14Å; H212-W228 AromaticContact NE2-CD1 3.51Å; H212-W228 AromaticContact NE2-CG 3.83Å; H212-W228 PolarHBondContact O-N 3.44Å
213	V	98.3	Very high	95.3	Very high	22 Å²	22	69 Å²	69	13%	0.133	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.7	176.4	179.5	0	0	0	0	109.7	L225 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.45Å; V213-L225 HydrophobicContact CG1-CD2 4.43Å; V213-C227 HydrophobicContact CG2-CB 4.32Å; V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.23Å; V213-L296 HydrophobicContact CG2-CB 3.78Å; V213-L296 HydrophobicContact CG2-CD2 4.43Å; V213-W298 HydrophobicContact CG1-CB 3.79Å
214	T	97	Very high	95.5	Very high	32 Å²	32	69.9 Å²	69.9	20%	0.196	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	143.3	177	53.1	0	0	0	0	110.3	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 3.25Å; T214-L225 WeakPolarHBondContact O-CA 3.46Å; T214-R226 PolarHBondContact N-O 2.95Å; T214-R226 PolarHBondContact O-N 3.37Å; T214-R226 PolarHBondContact OG1-O 3.47Å; T214-W228 PolarHBondContact OG1-NE1 2.83Å; T214-W228 VanDerWaalsContact OG1-NE1 3.14Å
215	H	96.4	Very high	95.8	Very high	54 Å²	54	65.5 Å²	65.5	25%	0.25	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.3	-177.8	168.1	-89.4	0	0	0	110	A223 T224 L225 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.18Å; H215-T224 WeakPolarHBondContact CA-O 3.39Å; H215-L225 HydrophobicContact CB-CD2 3.96Å; H215-W298 HydrophobicContact CB-CD2 4Å; H215-W298 HydrophobicContact CB-CG 4.07Å; H215-W298 HydrophobicContact CB-CZ2 4Å; H215-W298 VanDerWaalsContact CB-NE1 3.31Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.8Å; H215-W298 AromaticContact ND1-CZ2 3.94Å
216	H	95	Very high	96	Very high	85 Å²	85	62.3 Å²	62.3	39%	0.394	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	107	-178.2	-56.2	80.4	0	0	0	109.2	T214 I218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 3.25Å; H216-I218 PolarHBondContact O-N 2.85Å; H216-A223 CarbonylContact O-C 3.56Å; H216-A223 WeakPolarHBondContact O-CA 3.44Å; H216-T224 PolarHBondContact N-O 2.9Å; H216-T224 PolarHBondContact O-N 3.31Å; H216-R226 PolarHBondContact CE1-NH1 2.89Å
217	P	94.3	Very high	96.2	Very high	98 Å²	98	61 Å²	61	64%	0.636	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.1	134	173.2	-21.9	32.3	0	0	0	111.1
218	I	92.6	Very high	96.3	Very high	96 Å²	96	61.7 Å²	61.7	49%	0.492	32%	0.317	S	S	.	.			trans	-102.1	-44.4	172.9	-53.2	170.6	0	0	0	109.2	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 2.85Å; I218-E222 WeakPolarHBondContact CB-O 3.27Å; I218-E222 PolarHBondContact N-O 2.85Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.44Å; I218-V272 HydrophobicContact CD1-CG1 3.94Å; I218-V272 HydrophobicContact CD1-CG2 4.06Å
219	S	93.1	Very high	96.3	Very high	56 Å²	56	58.6 Å²	58.6	39%	0.392	30%	0.297	S	S	.	.	S	Bend	trans	-147.6	-179.9	178.4	72	0	0	0	0	110.2	H221 E222	S219-H221 PolarHBondContact O-N 2.99Å; S219-H221 VanDerWaalsContact O-N 3.16Å; S219-H221 PolarHBondContact OG-N 3.23Å; S219-H221 VanDerWaalsContact OG-N 3.15Å; S219-E222 PolarHBondContact N-O 2.74Å; S219-E222 PolarHBondContact OG-N 3.34Å
220	D	90	Very high	96.4	Very high	149 Å²	149	60.8 Å²	60.8	80%	0.797	31%	0.308	S	S	*	.	S	Bend	trans	-61.7	-19.2	171.8	-63.3	-26.8	0	0	0	112.7	S275	D220-S275 WeakPolarHBondContact O-CB 3.26Å; D220-S275 PolarHBondContact O-OG 2.89Å
221	H	93.1	Very high	96.3	Very high	144 Å²	144	54.4 Å²	54.4	67%	0.667	29%	0.286	S	S	*	.	S	Bend	trans	-107.1	-16.4	-174.3	-55.2	-39.2	0	0	0	114.4	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.99Å; S219-H221 VanDerWaalsContact O-N 3.16Å; S219-H221 PolarHBondContact OG-N 3.23Å; S219-H221 VanDerWaalsContact OG-N 3.15Å; H221-P274 CarbonylContact O-C 3.55Å; H221-P274 WeakPolarHBondContact O-CA 3.44Å; H221-S275 WeakPolarHBondContact CA-OG 3.39Å; H221-S275 PolarHBondContact O-N 3.31Å; H221-S275 PolarHBondContact O-OG 2.72Å
222	E	95.3	Very high	96.3	Very high	93 Å²	93	52.8 Å²	52.8	44%	0.435	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	144.2	-171.2	-66.3	-179	162.7	0	0	113	I218 S219 V272 V273 S275	I218-E222 WeakPolarHBondContact CB-O 3.27Å; I218-E222 PolarHBondContact N-O 2.85Å; S219-E222 PolarHBondContact N-O 2.74Å; S219-E222 PolarHBondContact OG-N 3.34Å; E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.3Å; E222-V273 WeakPolarHBondContact CA-O 3.4Å; E222-S275 PolarHBondContact N-OG 3.18Å
223	A	96.2	Very high	96.3	Very high	2 Å²	2	49.2 Å²	49.2	2%	0.017	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	153.8	172.2	0	0	0	0	0	111.6	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.18Å; H216-A223 CarbonylContact O-C 3.56Å; H216-A223 WeakPolarHBondContact O-CA 3.44Å; A223-V272 WeakPolarHBondContact O-CA 3.43Å; A223-V273 PolarHBondContact N-O 2.92Å; A223-V273 PolarHBondContact O-N 2.75Å
224	T	97.7	Very high	96.2	Very high	22 Å²	22	49 Å²	49	14%	0.135	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	121.3	167.5	-48.3	0	0	0	0	110.2	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.39Å; H216-T224 PolarHBondContact N-O 2.9Å; H216-T224 PolarHBondContact O-N 3.31Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.44Å; T224-A270 HydrophobicContact CG2-CB 3.83Å; T224-V271 WeakPolarHBondContact CA-O 3.3Å
225	L	98.1	Very high	96.2	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	122.8	160.2	-63.5	-174.2	0	0	0	109.1	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.45Å; V213-L225 HydrophobicContact CG1-CD2 4.43Å; T214-L225 WeakPolarHBondContact O-CA 3.46Å; H215-L225 HydrophobicContact CB-CD2 3.96Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.74Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 3.99Å; L225-W241 HydrophobicContact CD1-CZ3 4.17Å; L225-W241 HydrophobicContact CG-CH2 4.49Å; L225-A270 CarbonylContact O-C 3.55Å; L225-A270 WeakPolarHBondContact O-CA 3.37Å; L225-V271 HydrophobicContact CB-CG1 4.24Å; L225-V271 PolarHBondContact N-O 3.34Å; L225-V271 PolarHBondContact O-N 2.9Å; L225-V273 HydrophobicContact CD1-CG1 3.97Å; L225-V273 HydrophobicContact CD1-CG2 4.15Å; L225-V273 HydrophobicContact CG-CG1 4.06Å; L225-V273 HydrophobicContact CG-CG2 3.88Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CB 4.43Å; L225-E278 HydrophobicContact CD2-CG 4.35Å; L225-W298 HydrophobicContact CD1-CB 4.44Å; L225-W298 HydrophobicContact CD2-CB 3.81Å; L225-W298 HydrophobicContact CD2-CD2 4.44Å; L225-W298 HydrophobicContact CD2-CG 4.02Å
226	R	98.4	Very high	96.2	Very high	47 Å²	47	51 Å²	51	18%	0.177	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	114.5	175	-179.5	-179	-63	107.1	4.4	110.3	T214 H216 W228 W268 A269 A270	T214-R226 PolarHBondContact N-O 2.95Å; T214-R226 PolarHBondContact O-N 3.37Å; T214-R226 PolarHBondContact OG1-O 3.47Å; H216-R226 PolarHBondContact CE1-NH1 2.89Å; R226-W228 VanDerWaalsContact CD-CZ2 3.48Å; R226-W228 HydrophobicContact CG-CZ2 4.47Å; R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.06Å; R226-W268 HydrophobicContact CG-CE3 3.82Å; R226-W268 HydrophobicContact CG-CG 4.19Å; R226-A269 WeakPolarHBondContact CA-O 3.45Å; R226-A270 HydrophobicContact CB-CB 3.95Å; R226-A270 HydrophobicContact CG-CB 4.09Å
227	C	98.4	Very high	96.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	124.2	174.2	-173.9	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.32Å; C227-W241 HydrophobicContact CB-CH2 4.41Å; C227-W241 HydrophobicContact CB-CZ2 3.6Å; C227-W268 CarbonylContact O-C 3.58Å; C227-W268 WeakPolarHBondContact O-CA 3.46Å; C227-W268 WeakPolarHBondContact O-CB 3.41Å; C227-A269 PolarHBondContact N-O 2.86Å; C227-A269 PolarHBondContact O-N 2.89Å; C227-C283 HydrophobicContact CB-CB 3.5Å; C227-C283 WeakPolarHBondContact CB-SG 3.21Å; C227-C283 WeakPolarHBondContact SG-CB 3.32Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.42Å
228	W	98.5	Very high	96.4	Very high	54 Å²	54	45 Å²	45	21%	0.205	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	143.6	179.4	-67.6	89.3	0	0	0	110.8	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.5Å; H212-W228 VanDerWaalsContact CE1-CB 3.48Å; H212-W228 WeakPolarHBondContact CE1-CB 3.31Å; H212-W228 AromaticContact CE1-CD1 3.83Å; H212-W228 AromaticContact CE1-CG 3.68Å; H212-W228 PolarHBondContact N-O 3.14Å; H212-W228 AromaticContact NE2-CD1 3.51Å; H212-W228 AromaticContact NE2-CG 3.83Å; H212-W228 PolarHBondContact O-N 3.44Å; T214-W228 PolarHBondContact OG1-NE1 2.83Å; T214-W228 VanDerWaalsContact OG1-NE1 3.14Å; R226-W228 VanDerWaalsContact CD-CZ2 3.48Å; R226-W228 HydrophobicContact CG-CZ2 4.47Å; W228-L230 HydrophobicContact CB-CG 4.48Å; W228-L230 HydrophobicContact CE3-CD2 3.91Å; W228-L230 HydrophobicContact CZ3-CD2 4.46Å; W228-W268 HydrophobicContact CD2-CB 3.99Å; W228-W268 HydrophobicContact CD2-CG 4.45Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.77Å; W228-W268 HydrophobicContact CE3-CG 4.12Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.75Å; W228-W268 HydrophobicContact CH2-CG 4.38Å; W228-W268 HydrophobicContact CZ3-CB 4.36Å; W228-W268 AromaticContact CZ3-CD1 3.38Å; W228-W268 HydrophobicContact CZ3-CG 4.1Å
229	A	98.6	Very high	96.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125.6	160.1	0	0	0	0	0	107.8	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.82Å; T211-A229 HydrophobicContact CG2-CB 4.4Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.79Å; A229-F232 WeakPolarHBondContact O-CE1 3.43Å; A229-I237 HydrophobicContact CB-CD1 3.72Å; A229-L239 HydrophobicContact CB-CD1 3.99Å; A229-L239 HydrophobicContact CB-CD2 4.21Å; A229-Q266 WeakPolarHBondContact O-CA 3.39Å; A229-K267 PolarHBondContact N-O 3.17Å; A229-K267 PolarHBondContact O-N 3.03Å; A229-K267 VanDerWaalsContact O-O 3.05Å
230	L	98.5	Very high	96.9	Very high	55 Å²	55	40 Å²	40	29%	0.288	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	146.2	-175.7	-58.8	177	0	0	0	111	K210 W228 Q266	K210-L230 WeakPolarHBondContact CB-O 3.31Å; K210-L230 PolarHBondContact N-O 2.94Å; K210-L230 PolarHBondContact O-N 2.86Å; K210-L230 VanDerWaalsContact O-N 3.15Å; W228-L230 HydrophobicContact CB-CG 4.48Å; W228-L230 HydrophobicContact CE3-CD2 3.91Å; W228-L230 HydrophobicContact CZ3-CD2 4.46Å; L230-Q266 HydrophobicContact CD2-CB 3.59Å
231	G	97.8	Very high	97.3	Very high	20 Å²	20	33 Å²	33	21%	0.206	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.8	29.9	167.2	0	0	0	0	0	114.5	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.4Å; G231-F265 PolarHBondContact N-O 3.08Å
232	F	98	Very high	97.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	157.3	-178.3	59.2	-89.7	0	0	0	113.4	D207 P209 A229 P234 I237 T257 T264 F265 K267 H287	D207-F232 CarbonylContact O-C 3.54Å; D207-F232 WeakPolarHBondContact O-CA 3.27Å; D207-F232 WeakPolarHBondContact O-CB 3.29Å; P209-F232 HydrophobicContact CB-CB 3.91Å; P209-F232 HydrophobicContact CB-CD1 3.89Å; P209-F232 HydrophobicContact CB-CG 4.16Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.79Å; A229-F232 WeakPolarHBondContact O-CE1 3.43Å; F232-P234 WeakPolarHBondContact CD2-O 3.28Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.33Å; F232-I237 HydrophobicContact CD2-CD1 3.91Å; F232-I237 HydrophobicContact CE1-CD1 3.76Å; F232-I237 HydrophobicContact CE2-CB 3.77Å; F232-I237 HydrophobicContact CE2-CD1 3.81Å; F232-I237 HydrophobicContact CE2-CG1 4.37Å; F232-I237 HydrophobicContact CE2-CG2 3.59Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.17Å; F232-I237 HydrophobicContact CZ-CD1 3.76Å; F232-I237 HydrophobicContact CZ-CG2 3.58Å; F232-T257 HydrophobicContact CE2-CG2 4.07Å; F232-T257 HydrophobicContact CZ-CG2 3.89Å; F232-T264 CarbonylContact O-C 3.59Å; F232-T264 WeakPolarHBondContact O-CA 3.17Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.42Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.31Å; F232-F265 WeakPolarHBondContact CE1-O 3.22Å; F232-F265 HydrophobicContact CE2-CB 3.48Å; F232-F265 VanDerWaalsContact CE2-CB 3.48Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.68Å; F232-F265 PolarHBondContact N-O 2.89Å; F232-F265 PolarHBondContact O-N 2.89Å; F232-K267 HydrophobicContact CE1-CB 4.43Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; F232-H287 AromaticContact CD2-CD2 3.91Å; F232-H287 AromaticContact CD2-NE2 3.72Å
233	Y	96.6	Very high	97.6	Very high	5 Å²	5	26.7 Å²	26.7	2%	0.02	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-151.2	137.1	172	177.6	-81	0	0	0	108.7	D54 T55 R205 A206 D207 R263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.93Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.15Å; T55-Y233 PolarHBondContact OG1-OH 2.96Å; R205-Y233 WeakPolarHBondContact O-CD1 3.5Å; A206-Y233 CarbonylContact C-O 3.49Å; A206-Y233 VanDerWaalsContact CA-O 3.22Å; A206-Y233 WeakPolarHBondContact CA-O 3.45Å; D207-Y233 PolarHBondContact N-O 3.02Å; D207-Y233 PolarHBondContact O-N 3.3Å; Y233-R263 HydrophobicContact CD2-CG 3.95Å; Y233-R263 HydrophobicContact CE2-CG 4.14Å; Y233-R263 PolarHBondContact OH-NH2 3.46Å; Y233-F265 HydrophobicContact CD2-CE2 4.15Å; Y233-H287 PolarHBondContact O-CE1 3.22Å
234	P	96.1	Very high	97.6	Very high	17 Å²	17	31.3 Å²	31.3	11%	0.11	16%	0.161	C	C	.	.	S	Bend	cis	-69.5	178.2	0.8	29.9	-36.9	0	0	0	113.1	D54 F232 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.24Å; D54-P234 WeakPolarHBondContact OD2-CB 3.02Å; F232-P234 WeakPolarHBondContact CD2-O 3.28Å; P234-H287 PolarHBondContact O-NE2 2.87Å; P234-E288 WeakPolarHBondContact CD-OE2 3.25Å; P234-E288 WeakPolarHBondContact CG-OE2 3.34Å
235	A	97.1	Very high	97.3	Very high	12 Å²	12	32.5 Å²	32.5	10%	0.099	18%	0.177	C	C	.	.	S	Bend	trans	-72.2	-26.2	-176.7	0	0	0	0	0	113.9	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.32Å; D54-A235 VanDerWaalsContact CG-CB 3.46Å; D54-A235 WeakPolarHBondContact OD1-CB 3.3Å; D54-A235 WeakPolarHBondContact OD2-CB 3.21Å; D54-A235 PolarHBondContact OD2-N 2.5Å; A235-I237 PolarHBondContact O-N 2.95Å; A235-T257 HydrophobicContact CB-CG2 4.36Å; A235-T257 WeakPolarHBondContact O-CG2 3.39Å; A235-F265 HydrophobicContact CB-CD1 3.7Å; A235-F265 HydrophobicContact CB-CD2 3.67Å; A235-F265 HydrophobicContact CB-CE1 3.71Å; A235-F265 HydrophobicContact CB-CE2 3.69Å; A235-F265 HydrophobicContact CB-CG 3.7Å; A235-F265 HydrophobicContact CB-CZ 3.72Å
236	E	96.3	Very high	97.1	Very high	115 Å²	115	39.6 Å²	39.6	54%	0.537	21%	0.21	S	C	.	.			trans	-64	121.9	178.7	-169.7	46.5	-127.3	0	0	109.5	W23 H287	W23-E236 HydrophobicContact CH2-CB 4.23Å; W23-E236 HydrophobicContact CH2-CG 3.63Å; W23-E236 HydrophobicContact CZ2-CG 3.69Å; W23-E236 HydrophobicContact CZ3-CB 4.33Å; W23-E236 HydrophobicContact CZ3-CG 4.14Å; W23-E236 WeakPolarHBondContact CZ3-O 3.35Å; E236-H287 PolarHBondContact O-CD2 3.5Å; E236-H287 VanDerWaalsContact O-CD2 3.25Å
237	I	97.1	Very high	97	Very high	8 Å²	8	41.8 Å²	41.8	4%	0.041	23%	0.226	C	C	.	.			trans	-158.8	136.8	-174.4	-163.8	172.3	0	0	0	110.2	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.07Å; P209-I237 HydrophobicContact CG-CD1 4.12Å; A229-I237 HydrophobicContact CB-CD1 3.72Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.33Å; F232-I237 HydrophobicContact CD2-CD1 3.91Å; F232-I237 HydrophobicContact CE1-CD1 3.76Å; F232-I237 HydrophobicContact CE2-CB 3.77Å; F232-I237 HydrophobicContact CE2-CD1 3.81Å; F232-I237 HydrophobicContact CE2-CG1 4.37Å; F232-I237 HydrophobicContact CE2-CG2 3.59Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.17Å; F232-I237 HydrophobicContact CZ-CD1 3.76Å; F232-I237 HydrophobicContact CZ-CG2 3.58Å; A235-I237 PolarHBondContact O-N 2.95Å; I237-L239 HydrophobicContact CD1-CD1 3.7Å; I237-L239 HydrophobicContact CG1-CD1 3.71Å; I237-L239 HydrophobicContact CG2-CD1 4.2Å; I237-K267 HydrophobicContact CG2-CB 4.26Å; I237-K267 HydrophobicContact CG2-CD 3.55Å; I237-V285 HydrophobicContact CD1-CG1 4.12Å; I237-V285 HydrophobicContact CG1-CG1 4.43Å; I237-Q286 WeakPolarHBondContact CG1-O 3.04Å; I237-H287 HydrophobicContact CD1-CB 4.31Å; I237-H287 HydrophobicContact CG1-CB 4.09Å
238	T	97.6	Very high	96.8	Very high	50 Å²	50	43 Å²	43	31%	0.307	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.1	174.3	-65.8	0	0	0	0	110.5	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.03Å; T238-V285 WeakPolarHBondContact O-CA 3.34Å; T238-Q286 PolarHBondContact N-O 3.28Å; T238-Q286 PolarHBondContact O-N 3.47Å
239	L	97.9	Very high	96.3	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122.6	171.2	-88.4	63	0	0	0	108.2	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 3.99Å; A229-L239 HydrophobicContact CB-CD2 4.21Å; I237-L239 HydrophobicContact CD1-CD1 3.7Å; I237-L239 HydrophobicContact CG1-CD1 3.71Å; I237-L239 HydrophobicContact CG2-CD1 4.2Å; L239-L254 HydrophobicContact CB-CD1 4.16Å; L239-K267 HydrophobicContact CD1-CD 4.32Å; L239-K267 HydrophobicContact CD2-CB 4.36Å; L239-K267 HydrophobicContact CD2-CG 4.43Å; L239-A269 HydrophobicContact CB-CB 4.07Å; L239-A269 HydrophobicContact CD2-CB 4.31Å; L239-H284 WeakPolarHBondContact CA-O 3.22Å; L239-V285 HydrophobicContact CD1-CG1 4.03Å; L239-V285 HydrophobicContact CD1-CG2 4.47Å; L239-V285 HydrophobicContact CG-CG2 4.28Å
240	T	97.6	Very high	95.9	Very high	40 Å²	40	54.6 Å²	54.6	25%	0.245	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	149	174	60.5	0	0	0	0	111.7	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.03Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.48Å; T240-H284 PolarHBondContact N-O 2.88Å; T240-H284 PolarHBondContact O-N 3.05Å
241	W	98.2	Very high	95.4	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.008	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	137.3	168.1	-82.8	107.4	0	0	0	110.1	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.23Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.74Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 3.99Å; L225-W241 HydrophobicContact CD1-CZ3 4.17Å; L225-W241 HydrophobicContact CG-CH2 4.49Å; C227-W241 HydrophobicContact CB-CH2 4.41Å; C227-W241 HydrophobicContact CB-CZ2 3.6Å; W241-Q248 HydrophobicContact CB-CB 4.28Å; W241-Q248 PolarHBondContact O-N 2.85Å; W241-A269 PolarHBondContact NE1-O 2.87Å; W241-V271 HydrophobicContact CB-CG1 4.32Å; W241-V271 HydrophobicContact CD2-CG1 3.61Å; W241-V271 HydrophobicContact CE3-CG1 4.07Å; W241-V271 HydrophobicContact CG-CB 4.16Å; W241-V271 HydrophobicContact CG-CG1 3.72Å; W241-V271 HydrophobicContact CZ2-CG1 4.33Å; W241-T282 WeakPolarHBondContact CA-O 3.26Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.02Å; W241-C283 HydrophobicContact CH2-CB 3.96Å; W241-C283 HydrophobicContact CZ2-CB 4.07Å; W241-C283 HydrophobicContact CZ3-CB 3.93Å
242	Q	97.9	Very high	95.2	Very high	36 Å²	36	57.6 Å²	57.6	17%	0.168	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	143.4	171.4	-73.1	-176.5	-7.4	0	0	110.8	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.6Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.28Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.03Å; Q242-D247 PolarHBondContact NE2-OD1 2.89Å; Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.29Å; Q242-Y281 WeakPolarHBondContact O-CA 3.49Å; Q242-T282 PolarHBondContact N-O 3.32Å; Q242-T282 PolarHBondContact O-N 3.06Å; Q242-T282 PolarHBondContact O-OG1 3.45Å; Q242-H284 WeakPolarHBondContact CB-NE2 3.3Å; Q242-H284 WeakPolarHBondContact CG-NE2 3.29Å; Q242-H284 PolarHBondContact OE1-NE2 3.4Å
243	R	97.4	Very high	95.2	Very high	69 Å²	69	63 Å²	63	26%	0.26	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118.2	168.9	-174.3	-171.9	-172.5	177.2	1.2	108.4	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.48Å; R243-E246 PolarHBondContact N-O 3.09Å; R243-E246 PolarHBondContact O-N 3.16Å; R243-Q248 HydrophobicContact CB-CG 3.96Å; R243-E277 IonicContact CZ-OE2 2.77Å; R243-E277 IonicContact NE-OE2 3.76Å; R243-E277 IonicContact NH2-OE1 3.46Å; R243-E277 PolarHBondContact NH2-OE1 2.04Å; R243-E277 IonicContact NH2-OE2 2.69Å; R243-E277 PolarHBondContact NH2-OE2 2.84Å; R243-R280 WeakPolarHBondContact CA-O 3.5Å; R243-R280 HydrophobicContact CG-CB 4.33Å; R243-Y281 HydrophobicContact CB-CD1 4.09Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 WeakPolarHBondContact CD-OH 3.38Å; R243-Y281 HydrophobicContact CG-CD1 4.42Å; R243-Y281 HydrophobicContact CG-CD2 4.39Å; R243-Y281 HydrophobicContact CG-CE1 4.06Å; R243-Y281 HydrophobicContact CG-CE2 4.01Å; R243-Y281 PolarHBondContact NE-OH 3.08Å
244	D	95.1	Very high	95.2	Very high	100 Å²	100	67 Å²	67	54%	0.535	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	20.4	-175.2	-52.7	-55.1	0	0	0	115.3	R280	D244-R280 PolarHBondContact N-O 3.22Å; D244-R280 WeakPolarHBondContact OD1-CB 3.47Å; D244-R280 IonicContact OD1-NE 3.65Å; D244-R280 PolarHBondContact OD1-NE 3.15Å; D244-R280 IonicContact OD2-CZ 3.12Å; D244-R280 IonicContact OD2-NE 3.56Å; D244-R280 PolarHBondContact OD2-NE 2.85Å; D244-R280 IonicContact OD2-NH2 2.65Å; D244-R280 PolarHBondContact OD2-NH2 2.99Å
245	G	91.5	Very high	95.2	Very high	47 Å²	47	67.8 Å²	67.8	49%	0.485	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.7	-2	-176.7	0	0	0	0	0	115.6	R243	R243-G245 PolarHBondContact O-N 3.48Å
246	E	95.3	Very high	95.2	Very high	148 Å²	148	75.5 Å²	75.5	69%	0.692	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	126.6	176.2	-61.9	-172.7	166.1	0	0	111.5	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.6Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.28Å; R243-E246 PolarHBondContact N-O 3.09Å; R243-E246 PolarHBondContact O-N 3.16Å; E246-Q248 PolarHBondContact O-N 2.97Å; E246-Q248 PolarHBondContact O-NE2 2.75Å
247	D	95	Very high	95.3	Very high	94 Å²	94	72.2 Å²	72.2	50%	0.503	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	131.4	-178.9	-67.8	-37	0	0	0	112.3	Q242 T249	Q242-D247 WeakPolarHBondContact CG-OD1 3.03Å; Q242-D247 PolarHBondContact NE2-OD1 2.89Å; D247-T249 PolarHBondContact O-N 2.85Å
248	Q	94.7	Very high	95.3	Very high	24 Å²	24	76.6 Å²	76.6	11%	0.112	40%	0.397	C	S	.	.			trans	-100.3	38.1	-176.2	-55.2	-63.4	-85.5	0	0	112	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.28Å; W241-Q248 PolarHBondContact O-N 2.85Å; R243-Q248 HydrophobicContact CB-CG 3.96Å; E246-Q248 PolarHBondContact O-N 2.97Å; E246-Q248 PolarHBondContact O-NE2 2.75Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.91Å; Q248-D251 PolarHBondContact O-N 3.32Å; Q248-T252 WeakPolarHBondContact O-CB 3.48Å; Q248-T252 PolarHBondContact O-N 3.12Å; Q248-T252 VanDerWaalsContact O-N 3.08Å; Q248-T252 PolarHBondContact O-OG1 2.85Å; Q248-Y281 HydrophobicContact CG-CE1 4.3Å
249	T	88.9	Confident	95.3	Very high	106 Å²	106	78.6 Å²	78.6	65%	0.65	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-33.1	-166.5	-48.3	0	0	0	0	114.4	D247	D247-T249 PolarHBondContact O-N 2.85Å
250	Q	89.4	Confident	95.3	Very high	193 Å²	193	80.7 Å²	80.7	90%	0.902	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-32.1	179.7	-64.7	-173.5	11.1	0	0	112.8	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.91Å; Q250-T252 VanDerWaalsContact C-N 3.34Å
251	D	87.7	Confident	95	Very high	114 Å²	114	82.4 Å²	82.4	61%	0.61	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	2.7	-178.5	-51.8	-66.5	0	0	0	112.7	Q248	Q248-D251 PolarHBondContact O-N 3.32Å
252	T	94.9	Very high	94.7	Very high	24 Å²	24	87.4 Å²	87.4	15%	0.147	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	117.2	179.5	-63.7	0	0	0	0	111.4	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.48Å; Q248-T252 PolarHBondContact O-N 3.12Å; Q248-T252 VanDerWaalsContact O-N 3.08Å; Q248-T252 PolarHBondContact O-OG1 2.85Å; Q250-T252 VanDerWaalsContact C-N 3.34Å; T252-L254 HydrophobicContact CG2-CB 4.36Å; T252-L254 PolarHBondContact O-N 2.88Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; T252-A270 CarbonylContact C-O 3.59Å; T252-A270 VanDerWaalsContact CA-O 3.3Å; T252-A270 WeakPolarHBondContact CA-O 3.23Å
253	E	96.9	Very high	94.4	Very high	113 Å²	113	88.8 Å²	88.8	53%	0.528	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	103.1	163.3	-174.1	-172.7	-163.3	0	0	109.1	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.27Å; E253-W268 HydrophobicContact CG-CH2 3.97Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 VanDerWaalsContact OE2-CH2 3.3Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.07Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.39Å; E253-A269 CarbonylContact O-C 3.54Å; E253-A269 WeakPolarHBondContact O-CA 3.48Å; E253-A270 HydrophobicContact CB-CB 4.38Å; E253-A270 PolarHBondContact N-O 2.73Å; E253-A270 PolarHBondContact O-N 2.92Å
254	L	96.9	Very high	94.4	Very high	89 Å²	89	86.3 Å²	86.3	47%	0.466	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	118.6	177.8	-174.9	69.5	0	0	0	110.1	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.16Å; T252-L254 HydrophobicContact CG2-CB 4.36Å; T252-L254 PolarHBondContact O-N 2.88Å; L254-K267 HydrophobicContact CD1-CD 4.48Å; L254-A269 HydrophobicContact CD1-CB 3.72Å
255	V	96.8	Very high	94.6	Very high	34 Å²	34	82.8 Å²	82.8	21%	0.206	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-83.1	153.6	175.3	-64.7	0	0	0	0	112.5	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 WeakPolarHBondContact O-CE 3.41Å; V255-K267 WeakPolarHBondContact O-CG 3.49Å; V255-K267 PolarHBondContact O-NZ 2.93Å; V255-W268 HydrophobicContact CG1-CD2 4.05Å; V255-W268 VanDerWaalsContact CG1-CE2 3.49Å; V255-W268 HydrophobicContact CG1-CE3 4.34Å; V255-W268 HydrophobicContact CG1-CH2 3.71Å; V255-W268 HydrophobicContact CG1-CZ2 3.34Å; V255-W268 HydrophobicContact CG1-CZ3 4.18Å; V255-W268 HydrophobicContact CG2-CD2 3.83Å; V255-W268 HydrophobicContact CG2-CG 3.8Å; V255-W268 HydrophobicContact CG2-CZ2 4.5Å; V255-W268 WeakPolarHBondContact CG2-O 3.44Å; V255-W268 PolarHBondContact N-O 3.47Å
256	E	97.1	Very high	94.9	Very high	174 Å²	174	82.6 Å²	82.6	81%	0.813	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-54.7	148	165.8	-67.7	-176.4	170.8	0	0	111.3	R258	E256-R258 PolarHBondContact O-N 3.32Å
257	T	98	Very high	95.1	Very high	46 Å²	46	76.6 Å²	76.6	28%	0.282	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-71.2	128.5	174.4	-55.2	0	0	0	0	108.4	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.07Å; F232-T257 HydrophobicContact CZ-CG2 3.89Å; A235-T257 HydrophobicContact CB-CG2 4.36Å; A235-T257 WeakPolarHBondContact O-CG2 3.39Å; T257-F265 HydrophobicContact CG2-CB 3.82Å; T257-F265 HydrophobicContact CG2-CD1 3.99Å; T257-F265 HydrophobicContact CG2-CG 4.19Å; T257-K267 WeakPolarHBondContact OG1-CD 3.48Å; T257-K267 PolarHBondContact OG1-NZ 3.43Å
258	R	97.5	Very high	95.2	Very high	100 Å²	100	73.2 Å²	73.2	38%	0.377	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.6	-174.8	69.9	-166	-177.2	-168.4	2.1	111.4	E256 Q266	E256-R258 PolarHBondContact O-N 3.32Å; R258-Q266 HydrophobicContact CG-CG 3.67Å; R258-Q266 PolarHBondContact N-O 2.99Å; R258-Q266 VanDerWaalsContact NE-OE1 3.07Å; R258-Q266 VanDerWaalsContact O-CG 3.32Å; R258-Q266 WeakPolarHBondContact O-CG 3.43Å; R258-Q266 PolarHBondContact O-N 2.84Å
259	P	97.3	Very high	95.4	Very high	91 Å²	91	72.1 Å²	72.1	59%	0.591	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	149.2	177.4	28.3	-34.9	0	0	0	111.2	F265 Q266	P259-F265 HydrophobicContact CB-CD1 4.4Å; P259-F265 HydrophobicContact CB-CE1 4.14Å; P259-Q266 PolarHBondContact O-NE2 3.17Å
260	A	96.4	Very high	95.8	Very high	50 Å²	50	67.1 Å²	67.1	41%	0.413	36%	0.36	S	S	.	.			trans	-91.7	-16.2	170.8	0	0	0	0	0	112.9	D262 T264 Q266	A260-D262 WeakPolarHBondContact CB-OD1 3.41Å; A260-T264 WeakPolarHBondContact CB-O 3.49Å; A260-T264 PolarHBondContact N-O 3.32Å; A260-Q266 HydrophobicContact CB-CG 4.46Å
261	G	92.6	Very high	96.2	Very high	77 Å²	77	58 Å²	58	79%	0.794	32%	0.318	S	S	*	.	S	Bend	trans	97.3	-8.1	179.3	0	0	0	0	0	114.6
262	D	92.3	Very high	96.7	Very high	106 Å²	106	56 Å²	56	57%	0.567	31%	0.309	S	S	*	.	S	Bend	trans	-110.8	31.7	180	64.8	-5.8	0	0	0	112.1	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.41Å; D262-T264 PolarHBondContact O-N 2.92Å; D262-T264 WeakPolarHBondContact OD1-CB 3.41Å; D262-T264 PolarHBondContact OD1-N 3.1Å; D262-T264 PolarHBondContact OD1-OG1 3.4Å
263	R	91.7	Very high	96.8	Very high	65 Å²	65	54.9 Å²	54.9	25%	0.245	30%	0.302	C	S	.	.	S	Bend	trans	69.5	-18.4	-166.9	-174	179.7	177.9	-116.8	-2	115.3	T55 T202 Y233 F265	T55-R263 PolarHBondContact OG1-NE 2.81Å; T55-R263 PolarHBondContact OG1-NH2 3.48Å; T202-R263 VanDerWaalsContact O-CZ 3.26Å; T202-R263 PolarHBondContact O-NH1 3.07Å; T202-R263 PolarHBondContact O-NH2 2.87Å; Y233-R263 HydrophobicContact CD2-CG 3.95Å; Y233-R263 HydrophobicContact CE2-CG 4.14Å; Y233-R263 PolarHBondContact OH-NH2 3.46Å; R263-F265 WeakPolarHBondContact O-CE2 3.29Å
264	T	96.9	Very high	96.8	Very high	17 Å²	17	51.6 Å²	51.6	10%	0.104	29%	0.291	C	S	.	.			trans	-84.4	167.2	179.4	77.6	0	0	0	0	113.1	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.4Å; F232-T264 CarbonylContact O-C 3.59Å; F232-T264 WeakPolarHBondContact O-CA 3.17Å; A260-T264 WeakPolarHBondContact CB-O 3.49Å; A260-T264 PolarHBondContact N-O 3.32Å; D262-T264 PolarHBondContact O-N 2.92Å; D262-T264 WeakPolarHBondContact OD1-CB 3.41Å; D262-T264 PolarHBondContact OD1-N 3.1Å; D262-T264 PolarHBondContact OD1-OG1 3.4Å
265	F	98.4	Very high	96.6	Very high	26 Å²	26	50 Å²	50	11%	0.114	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	163.6	-179.9	-65.8	-86.7	0	0	0	112	D54 G231 F232 Y233 A235 T257 P259 R263	D54-F265 HydrophobicContact CB-CE2 3.74Å; D54-F265 HydrophobicContact CB-CZ 3.76Å; G231-F265 PolarHBondContact N-O 3.08Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.42Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.31Å; F232-F265 WeakPolarHBondContact CE1-O 3.22Å; F232-F265 HydrophobicContact CE2-CB 3.48Å; F232-F265 VanDerWaalsContact CE2-CB 3.48Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.68Å; F232-F265 PolarHBondContact N-O 2.89Å; F232-F265 PolarHBondContact O-N 2.89Å; Y233-F265 HydrophobicContact CD2-CE2 4.15Å; A235-F265 HydrophobicContact CB-CD1 3.7Å; A235-F265 HydrophobicContact CB-CD2 3.67Å; A235-F265 HydrophobicContact CB-CE1 3.71Å; A235-F265 HydrophobicContact CB-CE2 3.69Å; A235-F265 HydrophobicContact CB-CG 3.7Å; A235-F265 HydrophobicContact CB-CZ 3.72Å; T257-F265 HydrophobicContact CG2-CB 3.82Å; T257-F265 HydrophobicContact CG2-CD1 3.99Å; T257-F265 HydrophobicContact CG2-CG 4.19Å; P259-F265 HydrophobicContact CB-CD1 4.4Å; P259-F265 HydrophobicContact CB-CE1 4.14Å; R263-F265 WeakPolarHBondContact O-CE2 3.29Å
266	Q	98.4	Very high	96.3	Very high	43 Å²	43	51.5 Å²	51.5	20%	0.201	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	143.2	176.4	39.6	162.9	-24.6	0	0	110	A229 L230 R258 P259 A260	A229-Q266 WeakPolarHBondContact O-CA 3.39Å; L230-Q266 HydrophobicContact CD2-CB 3.59Å; R258-Q266 HydrophobicContact CG-CG 3.67Å; R258-Q266 PolarHBondContact N-O 2.99Å; R258-Q266 VanDerWaalsContact NE-OE1 3.07Å; R258-Q266 VanDerWaalsContact O-CG 3.32Å; R258-Q266 WeakPolarHBondContact O-CG 3.43Å; R258-Q266 PolarHBondContact O-N 2.84Å; P259-Q266 PolarHBondContact O-NE2 3.17Å; A260-Q266 HydrophobicContact CB-CG 4.46Å
267	K	98.6	Very high	96.3	Very high	22 Å²	22	45.7 Å²	45.7	10%	0.096	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	156.4	177.1	-160.9	-175.8	-169.3	66.5	0	108.9	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.17Å; A229-K267 PolarHBondContact O-N 3.03Å; A229-K267 VanDerWaalsContact O-O 3.05Å; F232-K267 HydrophobicContact CE1-CB 4.43Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; I237-K267 HydrophobicContact CG2-CB 4.26Å; I237-K267 HydrophobicContact CG2-CD 3.55Å; L239-K267 HydrophobicContact CD1-CD 4.32Å; L239-K267 HydrophobicContact CD2-CB 4.36Å; L239-K267 HydrophobicContact CD2-CG 4.43Å; L254-K267 HydrophobicContact CD1-CD 4.48Å; V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 WeakPolarHBondContact O-CE 3.41Å; V255-K267 WeakPolarHBondContact O-CG 3.49Å; V255-K267 PolarHBondContact O-NZ 2.93Å; T257-K267 WeakPolarHBondContact OG1-CD 3.48Å; T257-K267 PolarHBondContact OG1-NZ 3.43Å
268	W	98.4	Very high	96.1	Very high	24 Å²	24	44.5 Å²	44.5	9%	0.091	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	157.1	168.2	57.4	-96.8	0	0	0	111.6	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.06Å; R226-W268 HydrophobicContact CG-CE3 3.82Å; R226-W268 HydrophobicContact CG-CG 4.19Å; C227-W268 CarbonylContact O-C 3.58Å; C227-W268 WeakPolarHBondContact O-CA 3.46Å; C227-W268 WeakPolarHBondContact O-CB 3.41Å; W228-W268 HydrophobicContact CD2-CB 3.99Å; W228-W268 HydrophobicContact CD2-CG 4.45Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.77Å; W228-W268 HydrophobicContact CE3-CG 4.12Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.75Å; W228-W268 HydrophobicContact CH2-CG 4.38Å; W228-W268 HydrophobicContact CZ3-CB 4.36Å; W228-W268 AromaticContact CZ3-CD1 3.38Å; W228-W268 HydrophobicContact CZ3-CG 4.1Å; E253-W268 HydrophobicContact CB-CZ3 4.27Å; E253-W268 HydrophobicContact CG-CH2 3.97Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 VanDerWaalsContact OE2-CH2 3.3Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.07Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.39Å; V255-W268 HydrophobicContact CG1-CD2 4.05Å; V255-W268 VanDerWaalsContact CG1-CE2 3.49Å; V255-W268 HydrophobicContact CG1-CE3 4.34Å; V255-W268 HydrophobicContact CG1-CH2 3.71Å; V255-W268 HydrophobicContact CG1-CZ2 3.34Å; V255-W268 HydrophobicContact CG1-CZ3 4.18Å; V255-W268 HydrophobicContact CG2-CD2 3.83Å; V255-W268 HydrophobicContact CG2-CG 3.8Å; V255-W268 HydrophobicContact CG2-CZ2 4.5Å; V255-W268 WeakPolarHBondContact CG2-O 3.44Å; V255-W268 PolarHBondContact N-O 3.47Å; W268-A270 HydrophobicContact CE3-CB 3.89Å; W268-A270 HydrophobicContact CZ3-CB 3.61Å
269	A	98.3	Very high	96	Very high	0 Å²	0	44 Å²	44	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	130.1	173.2	0	0	0	0	0	108.2	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.45Å; C227-A269 PolarHBondContact N-O 2.86Å; C227-A269 PolarHBondContact O-N 2.89Å; L239-A269 HydrophobicContact CB-CB 4.07Å; L239-A269 HydrophobicContact CD2-CB 4.31Å; W241-A269 PolarHBondContact NE1-O 2.87Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; E253-A269 CarbonylContact O-C 3.54Å; E253-A269 WeakPolarHBondContact O-CA 3.48Å; L254-A269 HydrophobicContact CD1-CB 3.72Å
270	A	98.1	Very high	96	Very high	2 Å²	2	44.7 Å²	44.7	2%	0.017	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	145.5	178.7	0	0	0	0	0	112	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.83Å; L225-A270 CarbonylContact O-C 3.55Å; L225-A270 WeakPolarHBondContact O-CA 3.37Å; R226-A270 HydrophobicContact CB-CB 3.95Å; R226-A270 HydrophobicContact CG-CB 4.09Å; T252-A270 CarbonylContact C-O 3.59Å; T252-A270 VanDerWaalsContact CA-O 3.3Å; T252-A270 WeakPolarHBondContact CA-O 3.23Å; E253-A270 HydrophobicContact CB-CB 4.38Å; E253-A270 PolarHBondContact N-O 2.73Å; E253-A270 PolarHBondContact O-N 2.92Å; W268-A270 HydrophobicContact CE3-CB 3.89Å; W268-A270 HydrophobicContact CZ3-CB 3.61Å
271	V	98	Very high	96.1	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	142.2	176.5	62.4	0	0	0	0	109	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.3Å; L225-V271 HydrophobicContact CB-CG1 4.24Å; L225-V271 PolarHBondContact N-O 3.34Å; L225-V271 PolarHBondContact O-N 2.9Å; W241-V271 HydrophobicContact CB-CG1 4.32Å; W241-V271 HydrophobicContact CD2-CG1 3.61Å; W241-V271 HydrophobicContact CE3-CG1 4.07Å; W241-V271 HydrophobicContact CG-CB 4.16Å; W241-V271 HydrophobicContact CG-CG1 3.72Å; W241-V271 HydrophobicContact CZ2-CG1 4.33Å; V271-V273 HydrophobicContact CG1-CG1 3.85Å; V271-V273 HydrophobicContact CG2-CG1 4.49Å; V271-Y281 HydrophobicContact CG1-CD1 4.04Å; V271-Y281 HydrophobicContact CG1-CE1 4.42Å; V271-Y281 HydrophobicContact CG2-CD1 4.41Å; V271-Y281 HydrophobicContact CG2-CE1 4.03Å
272	V	97.6	Very high	96.3	Very high	70 Å²	70	39.5 Å²	39.5	42%	0.424	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	129.3	171.4	-178.5	0	0	0	0	108.2	I218 E222 A223	I218-V272 HydrophobicContact CD1-CG1 3.94Å; I218-V272 HydrophobicContact CD1-CG2 4.06Å; E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.3Å; A223-V272 WeakPolarHBondContact O-CA 3.43Å
273	V	96.7	Very high	96.6	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	146.1	-176.2	-50	0	0	0	0	110.6	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.4Å; A223-V273 PolarHBondContact N-O 2.92Å; A223-V273 PolarHBondContact O-N 2.75Å; L225-V273 HydrophobicContact CD1-CG1 3.97Å; L225-V273 HydrophobicContact CD1-CG2 4.15Å; L225-V273 HydrophobicContact CG-CG1 4.06Å; L225-V273 HydrophobicContact CG-CG2 3.88Å; V271-V273 HydrophobicContact CG1-CG1 3.85Å; V271-V273 HydrophobicContact CG2-CG1 4.49Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; V273-Y281 HydrophobicContact CB-CD2 4Å; V273-Y281 HydrophobicContact CB-CE2 3.67Å; V273-Y281 HydrophobicContact CG1-CD1 3.73Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.66Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å
274	P	96.6	Very high	96.9	Very high	45 Å²	45	33.7 Å²	33.7	29%	0.292	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	140.9	170.5	-19.9	32.2	0	0	0	111.7	H221 G276 E277	H221-P274 CarbonylContact O-C 3.55Å; H221-P274 WeakPolarHBondContact O-CA 3.44Å; P274-G276 PolarHBondContact O-N 2.69Å; P274-E277 HydrophobicContact CB-CB 4.27Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 HydrophobicContact CG-CG 4.47Å; P274-E277 WeakPolarHBondContact O-CB 3.16Å; P274-E277 PolarHBondContact O-N 3.41Å
275	S	92.8	Very high	97	Very high	55 Å²	55	32.9 Å²	32.9	39%	0.385	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	126.4	174.8	-62.8	0	0	0	0	111.5	D220 H221 E222	D220-S275 WeakPolarHBondContact O-CB 3.26Å; D220-S275 PolarHBondContact O-OG 2.89Å; H221-S275 WeakPolarHBondContact CA-OG 3.39Å; H221-S275 PolarHBondContact O-N 3.31Å; H221-S275 PolarHBondContact O-OG 2.72Å; E222-S275 PolarHBondContact N-OG 3.18Å
276	G	91.8	Very high	97	Very high	65 Å²	65	34.8 Å²	34.8	67%	0.67	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.8	-4.2	-177.8	0	0	0	0	0	115.1	P274 E278	P274-G276 PolarHBondContact O-N 2.69Å; G276-E278 WeakPolarHBondContact CA-OE2 3.33Å; G276-E278 VanDerWaalsContact N-CD 3.31Å; G276-E278 PolarHBondContact N-OE1 3.33Å; G276-E278 PolarHBondContact N-OE2 3.46Å
277	E	95.6	Very high	96.9	Very high	53 Å²	53	33.2 Å²	33.2	25%	0.248	18%	0.182	C	C	.	.			trans	-98.3	1.4	175.1	-69	-155.3	-144.3	0	0	113.9	R243 P274 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 2.77Å; R243-E277 IonicContact NE-OE2 3.76Å; R243-E277 IonicContact NH2-OE1 3.46Å; R243-E277 PolarHBondContact NH2-OE1 2.04Å; R243-E277 IonicContact NH2-OE2 2.69Å; R243-E277 PolarHBondContact NH2-OE2 2.84Å; P274-E277 HydrophobicContact CB-CB 4.27Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 HydrophobicContact CG-CG 4.47Å; P274-E277 WeakPolarHBondContact O-CB 3.16Å; P274-E277 PolarHBondContact O-N 3.41Å; E277-Q279 PolarHBondContact O-N 3.14Å; E277-R280 WeakPolarHBondContact O-CB 3.49Å; E277-R280 PolarHBondContact O-N 3.21Å; E277-R280 IonicContact OE1-NH1 3.77Å; E277-R280 VanDerWaalsContact OE2-CD 3.28Å; E277-R280 WeakPolarHBondContact OE2-CD 3.41Å; E277-R280 IonicContact OE2-CZ 3.35Å; E277-R280 IonicContact OE2-NE 2.79Å; E277-R280 IonicContact OE2-NH1 2.66Å; E277-R280 PolarHBondContact OE2-NH1 3.18Å; E277-Y281 HydrophobicContact CB-CE2 4.42Å; E277-Y281 WeakPolarHBondContact O-CD2 3.27Å
278	E	95.2	Very high	96.6	Very high	20 Å²	20	35.8 Å²	35.8	9%	0.093	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-56.9	-31.3	-169	-53.5	80.5	-174.6	0	0	113.1	L225 V273 G276 R280 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CB 4.43Å; L225-E278 HydrophobicContact CD2-CG 4.35Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; G276-E278 WeakPolarHBondContact CA-OE2 3.33Å; G276-E278 VanDerWaalsContact N-CD 3.31Å; G276-E278 PolarHBondContact N-OE1 3.33Å; G276-E278 PolarHBondContact N-OE2 3.46Å; E278-R280 VanDerWaalsContact C-N 3.29Å; E278-R280 PolarHBondContact O-N 3.01Å; E278-Y281 PolarHBondContact O-N 2.93Å; E278-W298 HydrophobicContact CB-CE3 3.51Å; E278-W298 HydrophobicContact CB-CZ3 3.98Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.8Å
279	Q	95.3	Very high	96.4	Very high	91 Å²	91	35.7 Å²	35.7	43%	0.425	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-73.5	-16.6	-179.7	-61.5	-56.7	-44.4	0	0	114.2	E277 Y281 R297 W298	E277-Q279 PolarHBondContact O-N 3.14Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å; Q279-R297 PolarHBondContact O-NE 3.39Å; Q279-W298 PolarHBondContact NE2-O 3.48Å
280	R	96.8	Very high	96.2	Very high	104 Å²	104	36.9 Å²	36.9	39%	0.392	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-73.9	-20.6	171.4	-62.5	174.3	69.8	173.7	5.3	112	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.5Å; R243-R280 HydrophobicContact CG-CB 4.33Å; D244-R280 PolarHBondContact N-O 3.22Å; D244-R280 WeakPolarHBondContact OD1-CB 3.47Å; D244-R280 IonicContact OD1-NE 3.65Å; D244-R280 PolarHBondContact OD1-NE 3.15Å; D244-R280 IonicContact OD2-CZ 3.12Å; D244-R280 IonicContact OD2-NE 3.56Å; D244-R280 PolarHBondContact OD2-NE 2.85Å; D244-R280 IonicContact OD2-NH2 2.65Å; D244-R280 PolarHBondContact OD2-NH2 2.99Å; E277-R280 WeakPolarHBondContact O-CB 3.49Å; E277-R280 PolarHBondContact O-N 3.21Å; E277-R280 IonicContact OE1-NH1 3.77Å; E277-R280 VanDerWaalsContact OE2-CD 3.28Å; E277-R280 WeakPolarHBondContact OE2-CD 3.41Å; E277-R280 IonicContact OE2-CZ 3.35Å; E277-R280 IonicContact OE2-NE 2.79Å; E277-R280 IonicContact OE2-NH1 2.66Å; E277-R280 PolarHBondContact OE2-NH1 3.18Å; E278-R280 VanDerWaalsContact C-N 3.29Å; E278-R280 PolarHBondContact O-N 3.01Å
281	Y	97.7	Very high	96	Very high	7 Å²	7	43.3 Å²	43.3	3%	0.027	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	134.4	-177.9	-68.9	-99.9	0	0	0	111.4	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.29Å; Q242-Y281 WeakPolarHBondContact O-CA 3.49Å; R243-Y281 HydrophobicContact CB-CD1 4.09Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 WeakPolarHBondContact CD-OH 3.38Å; R243-Y281 HydrophobicContact CG-CD1 4.42Å; R243-Y281 HydrophobicContact CG-CD2 4.39Å; R243-Y281 HydrophobicContact CG-CE1 4.06Å; R243-Y281 HydrophobicContact CG-CE2 4.01Å; R243-Y281 PolarHBondContact NE-OH 3.08Å; Q248-Y281 HydrophobicContact CG-CE1 4.3Å; V271-Y281 HydrophobicContact CG1-CD1 4.04Å; V271-Y281 HydrophobicContact CG1-CE1 4.42Å; V271-Y281 HydrophobicContact CG2-CD1 4.41Å; V271-Y281 HydrophobicContact CG2-CE1 4.03Å; V273-Y281 HydrophobicContact CB-CD2 4Å; V273-Y281 HydrophobicContact CB-CE2 3.67Å; V273-Y281 HydrophobicContact CG1-CD1 3.73Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.66Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å; E277-Y281 HydrophobicContact CB-CE2 4.42Å; E277-Y281 WeakPolarHBondContact O-CD2 3.27Å; E278-Y281 PolarHBondContact O-N 2.93Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å
282	T	98.1	Very high	95.8	Very high	11 Å²	11	50.3 Å²	50.3	7%	0.067	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	130.5	177	46.2	0	0	0	0	110.4	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.26Å; Q242-T282 PolarHBondContact N-O 3.32Å; Q242-T282 PolarHBondContact O-N 3.06Å; Q242-T282 PolarHBondContact O-OG1 3.45Å; T282-H284 WeakPolarHBondContact CB-NE2 3.48Å; T282-H284 PolarHBondContact OG1-NE2 3.21Å; T282-T295 HydrophobicContact CG2-CG2 3.92Å; T282-L296 CarbonylContact C-O 3.53Å; T282-L296 VanDerWaalsContact CA-O 3.32Å; T282-L296 WeakPolarHBondContact CA-O 3.46Å; T282-R297 HydrophobicContact CG2-CG 3.73Å
283	C	98.3	Very high	95.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	128.6	170.2	173.9	0	0	0	0	109.1	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.5Å; C227-C283 WeakPolarHBondContact CB-SG 3.21Å; C227-C283 WeakPolarHBondContact SG-CB 3.32Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.42Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.48Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.02Å; W241-C283 HydrophobicContact CH2-CB 3.96Å; W241-C283 HydrophobicContact CZ2-CB 4.07Å; W241-C283 HydrophobicContact CZ3-CB 3.93Å; C283-T295 CarbonylContact O-C 3.6Å; C283-T295 WeakPolarHBondContact O-CA 3.47Å; C283-L296 HydrophobicContact CB-CB 4.38Å; C283-L296 PolarHBondContact N-O 3.33Å; C283-L296 PolarHBondContact O-N 2.91Å
284	H	97.9	Very high	95.8	Very high	50 Å²	50	52.8 Å²	52.8	23%	0.231	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	134.4	175.4	-62.3	-99.5	0	0	0	109.8	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.22Å; T240-H284 PolarHBondContact N-O 2.88Å; T240-H284 PolarHBondContact O-N 3.05Å; Q242-H284 WeakPolarHBondContact CB-NE2 3.3Å; Q242-H284 WeakPolarHBondContact CG-NE2 3.29Å; Q242-H284 PolarHBondContact OE1-NE2 3.4Å; T282-H284 WeakPolarHBondContact CB-NE2 3.48Å; T282-H284 PolarHBondContact OG1-NE2 3.21Å; H284-L294 CarbonylContact C-O 3.51Å; H284-L294 VanDerWaalsContact CA-O 3.32Å; H284-L294 WeakPolarHBondContact CA-O 3.42Å; H284-T295 VanDerWaalsContact CE1-CG2 3.47Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.45Å; H284-T295 PolarHBondContact CE1-OG1 2.94Å; H284-T295 PolarHBondContact ND1-OG1 3Å; H284-T295 VanDerWaalsContact ND1-OG1 3.13Å
285	V	98.3	Very high	95.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	122.9	-177.9	-174.7	0	0	0	0	109.5	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.98Å; T211-V285 HydrophobicContact CG2-CB 4.29Å; T211-V285 HydrophobicContact CG2-CG1 4.04Å; T211-V285 HydrophobicContact CG2-CG2 3.96Å; I237-V285 HydrophobicContact CD1-CG1 4.12Å; I237-V285 HydrophobicContact CG1-CG1 4.43Å; T238-V285 WeakPolarHBondContact O-CA 3.34Å; L239-V285 HydrophobicContact CD1-CG1 4.03Å; L239-V285 HydrophobicContact CD1-CG2 4.47Å; L239-V285 HydrophobicContact CG-CG2 4.28Å; V285-L290 HydrophobicContact CG1-CD1 4.16Å; V285-P293 WeakPolarHBondContact O-CA 3.48Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 3.13Å; V285-L294 PolarHBondContact O-N 3.42Å; V285-L296 HydrophobicContact CG2-CD1 3.86Å
286	Q	97.6	Very high	96	Very high	65 Å²	65	53.1 Å²	53.1	30%	0.304	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.5	175.4	-48.4	-178.1	16.4	0	0	109.1	I237 T238 P293	I237-Q286 WeakPolarHBondContact CG1-O 3.04Å; T238-Q286 PolarHBondContact N-O 3.28Å; T238-Q286 PolarHBondContact O-N 3.47Å; Q286-P293 HydrophobicContact CG-CB 4.14Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
287	H	96.3	Very high	96.2	Very high	11 Å²	11	56.7 Å²	56.7	5%	0.051	28%	0.284	C	S	.	.			trans	-158.8	148.6	-176.6	-175	-101.8	0	0	0	109.8	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 2.98Å; D207-H287 VanDerWaalsContact O-CE1 3.28Å; P209-H287 HydrophobicContact CG-CB 4.08Å; F232-H287 AromaticContact CD2-CD2 3.91Å; F232-H287 AromaticContact CD2-NE2 3.72Å; Y233-H287 PolarHBondContact O-CE1 3.22Å; P234-H287 PolarHBondContact O-NE2 2.87Å; E236-H287 PolarHBondContact O-CD2 3.5Å; E236-H287 VanDerWaalsContact O-CD2 3.25Å; I237-H287 HydrophobicContact CD1-CB 4.31Å; I237-H287 HydrophobicContact CG1-CB 4.09Å; H287-G289 VanDerWaalsContact C-N 3.28Å; H287-G289 PolarHBondContact ND1-N 2.8Å; H287-G289 PolarHBondContact O-N 3.3Å; H287-L290 HydrophobicContact CB-CD1 3.91Å; H287-L290 HydrophobicContact CB-CG 4.09Å; H287-L290 WeakPolarHBondContact O-CB 3.5Å; H287-L290 PolarHBondContact O-N 2.81Å
288	E	93.4	Very high	96.3	Very high	76 Å²	76	56.3 Å²	56.3	36%	0.355	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-38.7	-178.7	-162.8	-169.1	165.2	0	0	112.9	W23 A206 P234 L290	W23-E288 HydrophobicContact CB-CG 4.48Å; W23-E288 HydrophobicContact CE3-CB 4.06Å; A206-E288 HydrophobicContact CB-CB 4.19Å; A206-E288 HydrophobicContact CB-CG 4.29Å; P234-E288 WeakPolarHBondContact CD-OE2 3.25Å; P234-E288 WeakPolarHBondContact CG-OE2 3.34Å; E288-L290 PolarHBondContact O-N 2.87Å
289	G	93.6	Very high	96	Very high	21 Å²	21	63.2 Å²	63.2	22%	0.216	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-7.8	-179.7	0	0	0	0	0	114.1	H287	H287-G289 VanDerWaalsContact C-N 3.28Å; H287-G289 PolarHBondContact ND1-N 2.8Å; H287-G289 PolarHBondContact O-N 3.3Å
290	L	95.5	Very high	95.4	Very high	26 Å²	26	62.7 Å²	62.7	14%	0.136	32%	0.317	C	S	.	.			trans	-95.7	121.1	179.6	-64.9	173.2	0	0	0	110.8	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.93Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.33Å; P209-L290 HydrophobicContact CG-CG 4.18Å; V285-L290 HydrophobicContact CG1-CD1 4.16Å; H287-L290 HydrophobicContact CB-CD1 3.91Å; H287-L290 HydrophobicContact CB-CG 4.09Å; H287-L290 WeakPolarHBondContact O-CB 3.5Å; H287-L290 PolarHBondContact O-N 2.81Å; E288-L290 PolarHBondContact O-N 2.87Å; L290-K292 WeakPolarHBondContact CB-O 3.27Å; L290-K292 PolarHBondContact O-N 3.41Å; L290-L294 HydrophobicContact CD1-CD1 4.09Å; L290-L294 HydrophobicContact CD1-CG 3.96Å; L290-L294 HydrophobicContact CD2-CD1 3.72Å; L290-L294 HydrophobicContact CD2-CG 3.97Å
291	P	93.3	Very high	93.7	Very high	136 Å²	136	62.7 Å²	62.7	88%	0.883	33%	0.333	S	S	*	.	S	Bend	trans	-67.8	-11.4	178.3	29.4	-36.6	0	0	0	113.4
292	K	93.8	Very high	91.4	Very high	150 Å²	150	67.8 Å²	67.8	65%	0.652	37%	0.37	S	S	*	.	S	Bend	trans	-158.1	150.7	169.5	59.6	179	-178.9	176	0	108.7	L290	L290-K292 WeakPolarHBondContact CB-O 3.27Å; L290-K292 PolarHBondContact O-N 3.41Å
293	P	96	Very high	88.9	Confident	68 Å²	68	75.4 Å²	75.4	44%	0.442	41%	0.405	S	S	.	.			trans	-50.8	142.1	171.2	-29.1	36.8	0	0	0	112.5	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.48Å; Q286-P293 HydrophobicContact CG-CB 4.14Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
294	L	97	Very high	86.2	Confident	54 Å²	54	79.8 Å²	79.8	28%	0.283	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	144.7	172.7	-62.4	178.4	0	0	0	110	T211 H284 V285 L290 L296	T211-L294 HydrophobicContact CG2-CD1 4.18Å; H284-L294 CarbonylContact C-O 3.51Å; H284-L294 VanDerWaalsContact CA-O 3.32Å; H284-L294 WeakPolarHBondContact CA-O 3.42Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 3.13Å; V285-L294 PolarHBondContact O-N 3.42Å; L290-L294 HydrophobicContact CD1-CD1 4.09Å; L290-L294 HydrophobicContact CD1-CG 3.96Å; L290-L294 HydrophobicContact CD2-CD1 3.72Å; L290-L294 HydrophobicContact CD2-CG 3.97Å; L294-L296 HydrophobicContact CB-CD1 4.06Å
295	T	97.8	Very high	83.8	Confident	79 Å²	79	83.7 Å²	83.7	49%	0.485	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	116	170.9	-54.4	0	0	0	0	107.9	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.92Å; C283-T295 CarbonylContact O-C 3.6Å; C283-T295 WeakPolarHBondContact O-CA 3.47Å; H284-T295 VanDerWaalsContact CE1-CG2 3.47Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.45Å; H284-T295 PolarHBondContact CE1-OG1 2.94Å; H284-T295 PolarHBondContact ND1-OG1 3Å; H284-T295 VanDerWaalsContact ND1-OG1 3.13Å
296	L	97.3	Very high	81.6	Confident	28 Å²	28	88.5 Å²	88.5	15%	0.147	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	144.6	-178.3	-62.1	97	0	0	0	110.8	T211 V213 T282 C283 V285 L294	T211-L296 HydrophobicContact CG2-CD1 4.42Å; V213-L296 HydrophobicContact CG2-CB 3.78Å; V213-L296 HydrophobicContact CG2-CD2 4.43Å; T282-L296 CarbonylContact C-O 3.53Å; T282-L296 VanDerWaalsContact CA-O 3.32Å; T282-L296 WeakPolarHBondContact CA-O 3.46Å; C283-L296 HydrophobicContact CB-CB 4.38Å; C283-L296 PolarHBondContact N-O 3.33Å; C283-L296 PolarHBondContact O-N 2.91Å; V285-L296 HydrophobicContact CG2-CD1 3.86Å; L294-L296 HydrophobicContact CB-CD1 4.06Å
297	R	96.3	Very high	79.6	Confident	141 Å²	141	89.4 Å²	89.4	53%	0.532	50%	0.499	S	S	.	.			trans	-112.3	166.4	161.8	-71.9	-170.4	170.3	113.9	5	109.2	Q279 T282 E299	Q279-R297 PolarHBondContact O-NE 3.39Å; T282-R297 HydrophobicContact CG2-CG 3.73Å; R297-E299 PolarHBondContact O-N 3.46Å
298	W	96.1	Very high	77.9	Confident	44 Å²	44	94.7 Å²	94.7	17%	0.167	53%	0.526	C	S	.	.	P	Polyproline II helix	trans	-70.6	120.3	163	171.7	55.7	0	0	0	109.7	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CG1-CB 3.79Å; H215-W298 HydrophobicContact CB-CD2 4Å; H215-W298 HydrophobicContact CB-CG 4.07Å; H215-W298 HydrophobicContact CB-CZ2 4Å; H215-W298 VanDerWaalsContact CB-NE1 3.31Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.8Å; H215-W298 AromaticContact ND1-CZ2 3.94Å; L225-W298 HydrophobicContact CD1-CB 4.44Å; L225-W298 HydrophobicContact CD2-CB 3.81Å; L225-W298 HydrophobicContact CD2-CD2 4.44Å; L225-W298 HydrophobicContact CD2-CG 4.02Å; E278-W298 HydrophobicContact CB-CE3 3.51Å; E278-W298 HydrophobicContact CB-CZ3 3.98Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.8Å; Q279-W298 PolarHBondContact NE2-O 3.48Å; W298-P300 HydrophobicContact CD2-CG 4.46Å; W298-P300 HydrophobicContact CE3-CG 4.24Å; W298-P300 HydrophobicContact CH2-CB 4.08Å; W298-P300 HydrophobicContact CH2-CG 3.84Å; W298-P300 HydrophobicContact CZ2-CB 3.91Å; W298-P300 HydrophobicContact CZ2-CG 4.01Å; W298-P300 HydrophobicContact CZ3-CG 3.95Å
299	E	89.8	Confident	76.4	Confident	166 Å²	166	96.9 Å²	96.9	78%	0.776	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-94.2	119.1	166.1	-68	-176.3	171.1	0	0	108.2	R297 S301	R297-E299 PolarHBondContact O-N 3.46Å; E299-S301 PolarHBondContact O-N 3.14Å; E299-S301 VanDerWaalsContact O-N 3.15Å
300	P	82	Confident	75.1	Confident	79 Å²	79	97.9 Å²	97.9	51%	0.513	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-56.1	123	169.4	-20.8	31.6	0	0	0	108.1	W298 S302	W298-P300 HydrophobicContact CD2-CG 4.46Å; W298-P300 HydrophobicContact CE3-CG 4.24Å; W298-P300 HydrophobicContact CH2-CB 4.08Å; W298-P300 HydrophobicContact CH2-CG 3.84Å; W298-P300 HydrophobicContact CZ2-CB 3.91Å; W298-P300 HydrophobicContact CZ2-CG 4.01Å; W298-P300 HydrophobicContact CZ3-CG 3.95Å; P300-S302 PolarHBondContact O-N 3.41Å
301	S	62.5	Low	74	Confident	105 Å²	105	101.2 Å²	101.2	73%	0.734	57%	0.572	S	S	*	*			trans	-58.3	112.1	-175.9	45.6	0	0	0	0	109.2	E299 Q303	E299-S301 PolarHBondContact O-N 3.14Å; E299-S301 VanDerWaalsContact O-N 3.15Å; S301-Q303 PolarHBondContact O-N 3.47Å
302	S	47.9	Very low	73.2	Confident	113 Å²	113	99 Å²	99	79%	0.79	56%	0.556	S	S	*	*			trans	-68.9	79.7	163	53.7	0	0	0	0	107.2	P300 S304	P300-S302 PolarHBondContact O-N 3.41Å; S302-S304 PolarHBondContact O-N 3.24Å
303	Q	46.2	Very low	72.4	Confident	171 Å²	171	94.3 Å²	94.3	80%	0.799	55%	0.545	S	S	*	.			trans	-54.9	94	147.7	-83.3	-169.5	-14.2	0	0	104.8	S301 T305	S301-Q303 PolarHBondContact O-N 3.47Å; Q303-T305 VanDerWaalsContact C-N 3.31Å; Q303-T305 PolarHBondContact O-N 3.05Å
304	S	42.1	Very low	71.7	Confident	93 Å²	93	92.7 Å²	92.7	65%	0.65	54%	0.541	S	S	*	.			trans	-57.1	104.7	176.2	-179.7	0	0	0	0	105.4	S302 I306	S302-S304 PolarHBondContact O-N 3.24Å; S304-I306 PolarHBondContact O-N 3.2Å
305	T	46.4	Very low	71.2	Confident	131 Å²	131	95.4 Å²	95.4	80%	0.804	56%	0.555	S	S	*	*			trans	-71.1	67.2	166.6	-45	0	0	0	0	106.2	Q303 P307	Q303-T305 VanDerWaalsContact C-N 3.31Å; Q303-T305 PolarHBondContact O-N 3.05Å; T305-P307 VanDerWaalsContact O-N 3.1Å
306	I	53.4	Low	70.5	Confident	102 Å²	102	94.2 Å²	94.2	52%	0.523	55%	0.554	S	S	.	*			trans	-42.5	122.2	157.8	-62.3	175.3	0	0	0	103.5	S304 I308 I311	S304-I306 PolarHBondContact O-N 3.2Å; I306-I308 PolarHBondContact O-N 3.22Å; I306-I311 HydrophobicContact CG2-CD1 4.27Å
307	P	55.1	Low	70	Confident	84 Å²	84	97.4 Å²	97.4	55%	0.545	57%	0.574	S	S	.	*			trans	-75	76	-169.7	29	-35	0	0	0	108.8	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-N 3.1Å; P307-V309 PolarHBondContact O-N 3.01Å; P307-G310 CarbonylContact O-C 3.54Å; P307-G310 WeakPolarHBondContact O-CA 3.48Å; P307-G310 PolarHBondContact O-N 3.23Å; P307-I311 PolarHBondContact O-N 2.86Å
308	I	59.8	Low	69.5	Low	121 Å²	121	95.9 Å²	95.9	62%	0.621	58%	0.576	S	S	*	*	H	α-helix	trans	-55.2	-38.5	174.2	-67	164.4	0	0	0	108.1	I306 G310 I311 V312	I306-I308 PolarHBondContact O-N 3.22Å; I308-G310 PolarHBondContact O-N 3.22Å; I308-I311 PolarHBondContact O-N 2.92Å; I308-V312 HydrophobicContact CG2-CG2 4.28Å; I308-V312 VanDerWaalsContact O-CB 3.31Å; I308-V312 WeakPolarHBondContact O-CB 3.48Å; I308-V312 WeakPolarHBondContact O-CG2 3.23Å; I308-V312 PolarHBondContact O-N 3.29Å
309	V	61.3	Low	69	Low	123 Å²	123	96.1 Å²	96.1	75%	0.745	59%	0.587	S	S	*	*	H	α-helix	trans	-57.5	-43.3	170.4	-176.7	0	0	0	0	112.3	P307 A313	P307-V309 PolarHBondContact O-N 3.01Å; V309-A313 WeakPolarHBondContact O-CB 3.35Å; V309-A313 PolarHBondContact O-N 2.8Å
310	G	66.8	Low	68.8	Low	42 Å²	42	93.1 Å²	93.1	43%	0.433	58%	0.58	S	S	.	*	H	α-helix	trans	-69	-39.6	178	0	0	0	0	0	113.2	P307 I308 G314	P307-G310 CarbonylContact O-C 3.54Å; P307-G310 WeakPolarHBondContact O-CA 3.48Å; P307-G310 PolarHBondContact O-N 3.23Å; I308-G310 PolarHBondContact O-N 3.22Å; G310-G314 PolarHBondContact O-N 2.87Å
311	I	73.8	Confident	69.1	Low	95 Å²	95	93.9 Å²	93.9	49%	0.487	58%	0.583	S	S	.	*	H	α-helix	trans	-67	-46	175.4	-63	171.4	0	0	0	110.3	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 4.27Å; P307-I311 PolarHBondContact O-N 2.86Å; I308-I311 PolarHBondContact O-N 2.92Å; I311-G314 PolarHBondContact O-N 3.47Å; I311-L315 HydrophobicContact CG2-CD1 3.97Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.19Å; I311-L315 VanDerWaalsContact O-CG 3.32Å; I311-L315 WeakPolarHBondContact O-CG 3.05Å; I311-L315 PolarHBondContact O-N 3.25Å
312	V	75.9	Confident	70.1	Confident	90 Å²	90	92.9 Å²	92.9	55%	0.545	57%	0.572	S	S	.	*	H	α-helix	trans	-63.4	-43.4	177.3	170.1	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.28Å; I308-V312 VanDerWaalsContact O-CB 3.31Å; I308-V312 WeakPolarHBondContact O-CB 3.48Å; I308-V312 WeakPolarHBondContact O-CG2 3.23Å; I308-V312 PolarHBondContact O-N 3.29Å; V312-L315 PolarHBondContact O-N 3.26Å; V312-A316 WeakPolarHBondContact O-CB 3.36Å; V312-A316 PolarHBondContact O-N 2.77Å
313	A	76.7	Confident	71.9	Confident	51 Å²	51	92.7 Å²	92.7	42%	0.421	56%	0.561	S	S	.	*	H	α-helix	trans	-62.9	-44.1	175.1	0	0	0	0	0	112	V309 A316 V317	V309-A313 WeakPolarHBondContact O-CB 3.35Å; V309-A313 PolarHBondContact O-N 2.8Å; A313-A316 PolarHBondContact O-N 3.19Å; A313-V317 WeakPolarHBondContact O-CG2 3.34Å; A313-V317 PolarHBondContact O-N 3.06Å
314	G	81.3	Confident	73.7	Confident	35 Å²	35	86.5 Å²	86.5	36%	0.361	54%	0.543	S	S	.	.	H	α-helix	trans	-61.1	-44.3	176.4	0	0	0	0	0	113	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.87Å; I311-G314 PolarHBondContact O-N 3.47Å; G314-V317 PolarHBondContact O-N 3.36Å; G314-L318 WeakPolarHBondContact O-CB 3.4Å; G314-L318 PolarHBondContact O-N 2.95Å
315	L	85.9	Confident	75.5	Confident	110 Å²	110	84.6 Å²	84.6	58%	0.576	53%	0.533	S	S	*	.	H	α-helix	trans	-65.8	-39.3	176.1	-71.9	171.7	0	0	0	112.5	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 3.97Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.19Å; I311-L315 VanDerWaalsContact O-CG 3.32Å; I311-L315 WeakPolarHBondContact O-CG 3.05Å; I311-L315 PolarHBondContact O-N 3.25Å; V312-L315 PolarHBondContact O-N 3.26Å; L315-L318 PolarHBondContact O-N 3.04Å; L315-A319 WeakPolarHBondContact O-CB 3.19Å; L315-A319 PolarHBondContact O-N 2.82Å
316	A	84.1	Confident	77.2	Confident	55 Å²	55	82.3 Å²	82.3	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-63.6	-43.7	176	0	0	0	0	0	112	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.36Å; V312-A316 PolarHBondContact O-N 2.77Å; A313-A316 PolarHBondContact O-N 3.19Å; A316-A319 PolarHBondContact O-N 3.01Å; A316-V320 WeakPolarHBondContact O-CG2 3.4Å; A316-V320 PolarHBondContact O-N 2.86Å; A316-V320 VanDerWaalsContact O-N 3.07Å
317	V	85.7	Confident	78.6	Confident	95 Å²	95	81.1 Å²	81.1	58%	0.576	52%	0.516	S	S	*	.	H	α-helix	trans	-62.9	-44.8	175.2	172.5	0	0	0	0	111	A313 G314 A319 V320 V321	A313-V317 WeakPolarHBondContact O-CG2 3.34Å; A313-V317 PolarHBondContact O-N 3.06Å; G314-V317 PolarHBondContact O-N 3.36Å; V317-A319 PolarHBondContact O-N 3.39Å; V317-V320 PolarHBondContact O-N 3.26Å; V317-V321 HydrophobicContact CG1-CG2 4.48Å; V317-V321 WeakPolarHBondContact O-CG2 3.36Å; V317-V321 PolarHBondContact O-N 3.15Å
318	L	86.3	Confident	79.6	Confident	109 Å²	109	79.5 Å²	79.5	57%	0.571	51%	0.51	S	S	*	.	H	α-helix	trans	-57.9	-45.2	175.2	-98.4	161.6	0	0	0	112.3	G314 L315 V320 V321 V322	G314-L318 WeakPolarHBondContact O-CB 3.4Å; G314-L318 PolarHBondContact O-N 2.95Å; L315-L318 PolarHBondContact O-N 3.04Å; L318-V320 PolarHBondContact O-N 3.43Å; L318-V321 PolarHBondContact O-N 3.24Å; L318-V322 WeakPolarHBondContact O-CG2 3.31Å; L318-V322 PolarHBondContact O-N 2.76Å
319	A	85.6	Confident	80.3	Confident	48 Å²	48	77.8 Å²	77.8	40%	0.397	51%	0.505	S	S	.	.	H	α-helix	trans	-60.7	-44.2	177.4	0	0	0	0	0	112.1	L315 A316 V317 V322 I323	L315-A319 WeakPolarHBondContact O-CB 3.19Å; L315-A319 PolarHBondContact O-N 2.82Å; A316-A319 PolarHBondContact O-N 3.01Å; V317-A319 PolarHBondContact O-N 3.39Å; A319-V322 PolarHBondContact O-N 3.24Å; A319-I323 WeakPolarHBondContact O-CB 3.38Å; A319-I323 WeakPolarHBondContact O-CD1 3.37Å; A319-I323 VanDerWaalsContact O-CG1 3.24Å; A319-I323 WeakPolarHBondContact O-CG1 3.49Å; A319-I323 PolarHBondContact O-N 3.23Å
320	V	86.3	Confident	80.9	Confident	104 Å²	104	75.7 Å²	75.7	63%	0.63	49%	0.493	S	S	*	.	H	α-helix	trans	-63	-42.4	176.8	172.5	0	0	0	0	111.6	A316 V317 L318 I323 G324	A316-V320 WeakPolarHBondContact O-CG2 3.4Å; A316-V320 PolarHBondContact O-N 2.86Å; A316-V320 VanDerWaalsContact O-N 3.07Å; V317-V320 PolarHBondContact O-N 3.26Å; L318-V320 PolarHBondContact O-N 3.43Å; V320-I323 PolarHBondContact O-N 2.95Å; V320-G324 PolarHBondContact O-N 2.88Å
321	V	87.2	Confident	81.2	Confident	94 Å²	94	79.8 Å²	79.8	57%	0.57	50%	0.502	S	S	*	.	H	α-helix	trans	-63.6	-44.3	177	171.3	0	0	0	0	111.4	V317 L318 G324 A325	V317-V321 HydrophobicContact CG1-CG2 4.48Å; V317-V321 WeakPolarHBondContact O-CG2 3.36Å; V317-V321 PolarHBondContact O-N 3.15Å; L318-V321 PolarHBondContact O-N 3.24Å; V321-G324 PolarHBondContact O-N 2.74Å; V321-A325 WeakPolarHBondContact O-CB 3.44Å; V321-A325 PolarHBondContact O-N 3.4Å
322	V	85	Confident	80.8	Confident	84 Å²	84	79.5 Å²	79.5	51%	0.509	51%	0.508	S	S	.	.	H	α-helix	trans	-63.5	-45.5	177.5	171.3	0	0	0	0	111.1	L318 A319 G324 A325 V326	L318-V322 WeakPolarHBondContact O-CG2 3.31Å; L318-V322 PolarHBondContact O-N 2.76Å; A319-V322 PolarHBondContact O-N 3.24Å; V322-G324 VanDerWaalsContact C-N 3.34Å; V322-G324 PolarHBondContact O-N 2.86Å; V322-A325 PolarHBondContact O-N 2.94Å; V322-V326 HydrophobicContact CG1-CG2 4.47Å; V322-V326 WeakPolarHBondContact O-CG2 3.5Å; V322-V326 PolarHBondContact O-N 2.93Å
323	I	84.3	Confident	80.2	Confident	109 Å²	109	84.8 Å²	84.8	56%	0.559	52%	0.517	S	S	*	.	H	α-helix	trans	-60.3	-44.9	176.1	-68.6	164.3	0	0	0	110.5	A319 V320 A325 V326 V327	A319-I323 WeakPolarHBondContact O-CB 3.38Å; A319-I323 WeakPolarHBondContact O-CD1 3.37Å; A319-I323 VanDerWaalsContact O-CG1 3.24Å; A319-I323 WeakPolarHBondContact O-CG1 3.49Å; A319-I323 PolarHBondContact O-N 3.23Å; V320-I323 PolarHBondContact O-N 2.95Å; I323-A325 PolarHBondContact O-N 3.34Å; I323-V326 PolarHBondContact O-N 3.41Å; I323-V327 HydrophobicContact CG2-CG2 4.42Å; I323-V327 WeakPolarHBondContact O-CG2 3.49Å; I323-V327 PolarHBondContact O-N 3.38Å
324	G	83.8	Confident	79.3	Confident	41 Å²	41	92.2 Å²	92.2	42%	0.423	54%	0.535	S	S	.	.	H	α-helix	trans	-58.9	-44.3	175.9	0	0	0	0	0	113.1	V320 V321 V322 V327 A328	V320-G324 PolarHBondContact O-N 2.88Å; V321-G324 PolarHBondContact O-N 2.74Å; V322-G324 VanDerWaalsContact C-N 3.34Å; V322-G324 PolarHBondContact O-N 2.86Å; G324-V327 PolarHBondContact O-N 2.98Å; G324-A328 WeakPolarHBondContact O-CB 3.22Å; G324-A328 PolarHBondContact O-N 2.92Å
325	A	81.3	Confident	78	Confident	54 Å²	54	99.9 Å²	99.9	45%	0.446	56%	0.558	S	S	.	*	H	α-helix	trans	-65.9	-39.1	177.2	0	0	0	0	0	112.8	V321 V322 I323 T329	V321-A325 WeakPolarHBondContact O-CB 3.44Å; V321-A325 PolarHBondContact O-N 3.4Å; V322-A325 PolarHBondContact O-N 2.94Å; I323-A325 PolarHBondContact O-N 3.34Å; A325-T329 WeakPolarHBondContact O-CB 3.36Å; A325-T329 WeakPolarHBondContact O-CG2 3.11Å; A325-T329 PolarHBondContact O-N 3Å; A325-T329 PolarHBondContact O-OG1 2.88Å
326	V	82.6	Confident	76.4	Confident	82 Å²	82	99.2 Å²	99.2	50%	0.497	56%	0.562	S	S	.	*	H	α-helix	trans	-65.9	-44.8	174.8	171.8	0	0	0	0	110.9	V322 I323 A328 T329 V330	V322-V326 HydrophobicContact CG1-CG2 4.47Å; V322-V326 WeakPolarHBondContact O-CG2 3.5Å; V322-V326 PolarHBondContact O-N 2.93Å; I323-V326 PolarHBondContact O-N 3.41Å; V326-A328 PolarHBondContact O-N 3.49Å; V326-T329 WeakPolarHBondContact CA-OG1 3.37Å; V326-T329 PolarHBondContact O-N 3.12Å; V326-T329 PolarHBondContact O-OG1 2.69Å; V326-V330 HydrophobicContact CG1-CG2 4.42Å; V326-V330 WeakPolarHBondContact O-CB 3.41Å; V326-V330 VanDerWaalsContact O-CG2 3.28Å; V326-V330 WeakPolarHBondContact O-CG2 3.04Å; V326-V330 PolarHBondContact O-N 3.15Å
327	V	81.5	Confident	74.8	Confident	77 Å²	77	101.1 Å²	101.1	47%	0.467	57%	0.573	S	S	.	*	H	α-helix	trans	-62.4	-45.3	176.4	171.9	0	0	0	0	110.9	I323 G324 T329 V330 M331	I323-V327 HydrophobicContact CG2-CG2 4.42Å; I323-V327 WeakPolarHBondContact O-CG2 3.49Å; I323-V327 PolarHBondContact O-N 3.38Å; G324-V327 PolarHBondContact O-N 2.98Å; V327-T329 PolarHBondContact O-N 3.08Å; V327-V330 PolarHBondContact O-N 3.11Å; V327-M331 HydrophobicContact CG1-CG 4.41Å; V327-M331 HydrophobicContact CG1-SD 4.02Å; V327-M331 WeakPolarHBondContact O-CB 3.22Å; V327-M331 WeakPolarHBondContact O-CG 3.3Å; V327-M331 PolarHBondContact O-N 3.14Å
328	A	76.8	Confident	73	Confident	51 Å²	51	100.2 Å²	100.2	42%	0.421	58%	0.583	S	S	.	*	H	α-helix	trans	-60.9	-45.4	177.5	0	0	0	0	0	112.5	G324 V326 M331 C332	G324-A328 WeakPolarHBondContact O-CB 3.22Å; G324-A328 PolarHBondContact O-N 2.92Å; V326-A328 PolarHBondContact O-N 3.49Å; A328-M331 PolarHBondContact O-N 3.09Å; A328-C332 WeakPolarHBondContact O-CB 3.41Å; A328-C332 PolarHBondContact O-N 3.46Å; A328-C332 PolarHBondContact O-SG 3.16Å; A328-C332 VanDerWaalsContact O-SG 3.4Å
329	T	74.3	Confident	70.6	Confident	85 Å²	85	98.4 Å²	98.4	52%	0.521	59%	0.59	S	S	.	*	H	α-helix	trans	-67.7	-37.1	178.3	47.5	0	0	0	0	112.7	A325 V326 V327 R333	A325-T329 WeakPolarHBondContact O-CB 3.36Å; A325-T329 WeakPolarHBondContact O-CG2 3.11Å; A325-T329 PolarHBondContact O-N 3Å; A325-T329 PolarHBondContact O-OG1 2.88Å; V326-T329 WeakPolarHBondContact CA-OG1 3.37Å; V326-T329 PolarHBondContact O-N 3.12Å; V326-T329 PolarHBondContact O-OG1 2.69Å; V327-T329 PolarHBondContact O-N 3.08Å; T329-R333 WeakPolarHBondContact O-CB 3.37Å; T329-R333 PolarHBondContact O-N 3.45Å
330	V	74.6	Confident	68.3	Low	79 Å²	79	106.8 Å²	106.8	48%	0.479	62%	0.618	S	S	.	*	H	α-helix	trans	-65.9	-42	172.9	170.3	0	0	0	0	111.5	V326 V327 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.42Å; V326-V330 WeakPolarHBondContact O-CB 3.41Å; V326-V330 VanDerWaalsContact O-CG2 3.28Å; V326-V330 WeakPolarHBondContact O-CG2 3.04Å; V326-V330 PolarHBondContact O-N 3.15Å; V327-V330 PolarHBondContact O-N 3.11Å; V330-R333 PolarHBondContact O-N 2.99Å; V330-R334 PolarHBondContact O-N 3.37Å
331	M	72.5	Confident	65.8	Low	127 Å²	127	105.4 Å²	105.4	63%	0.626	63%	0.625	S	S	*	*	H	α-helix	trans	-64.9	-42.6	176	-74.2	-176.3	71.2	0	0	112.2	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.41Å; V327-M331 HydrophobicContact CG1-SD 4.02Å; V327-M331 WeakPolarHBondContact O-CB 3.22Å; V327-M331 WeakPolarHBondContact O-CG 3.3Å; V327-M331 PolarHBondContact O-N 3.14Å; A328-M331 PolarHBondContact O-N 3.09Å; M331-R334 PolarHBondContact O-N 3.19Å; M331-K335 PolarHBondContact O-N 3.37Å
332	C	65.8	Low	63.3	Low	90 Å²	90	105 Å²	105	61%	0.608	64%	0.639	S	S	*	*	H	α-helix	trans	-59.9	-45.6	172.8	-75.4	0	0	0	0	111.7	A328 R334 K335 S336	A328-C332 WeakPolarHBondContact O-CB 3.41Å; A328-C332 PolarHBondContact O-N 3.46Å; A328-C332 PolarHBondContact O-SG 3.16Å; A328-C332 VanDerWaalsContact O-SG 3.4Å; C332-R334 PolarHBondContact O-N 2.88Å; C332-K335 PolarHBondContact O-N 3.06Å; C332-K335 VanDerWaalsContact O-N 3.16Å; C332-S336 PolarHBondContact O-N 3.04Å; C332-S336 VanDerWaalsContact O-N 3.16Å; C332-S336 PolarHBondContact O-OG 3.34Å
333	R	63.7	Low	60.8	Low	200 Å²	200	106.2 Å²	106.2	76%	0.755	65%	0.651	S	S	*	*	H	α-helix	trans	-61.6	-43.2	176.2	-84.9	-176.6	151.3	166.5	-5.7	112.8	T329 V330 K335 S336 S337	T329-R333 WeakPolarHBondContact O-CB 3.37Å; T329-R333 PolarHBondContact O-N 3.45Å; V330-R333 PolarHBondContact O-N 2.99Å; R333-K335 VanDerWaalsContact C-N 3.27Å; R333-K335 PolarHBondContact O-N 2.92Å; R333-S336 WeakPolarHBondContact CA-OG 3.48Å; R333-S336 PolarHBondContact O-N 2.88Å; R333-S336 VanDerWaalsContact O-N 3.16Å; R333-S336 PolarHBondContact O-OG 3.19Å; R333-S337 PolarHBondContact O-N 2.88Å
334	R	57.5	Low	58.5	Low	208 Å²	208	111.5 Å²	111.5	79%	0.785	67%	0.666	S	S	*	*	H	α-helix	trans	-62.6	-30.7	174.3	-106.2	-177.7	166.4	178.3	-4	113.2	V330 M331 C332	V330-R334 PolarHBondContact O-N 3.37Å; M331-R334 PolarHBondContact O-N 3.19Å; C332-R334 PolarHBondContact O-N 2.88Å
335	K	52.5	Low	56.1	Low	196 Å²	196	115.5 Å²	115.5	85%	0.852	69%	0.687	S	S	*	*	H	α-helix	trans	-76.5	-22.8	176.4	-161.1	172.2	-177.3	179.9	0	113	M331 C332 R333	M331-K335 PolarHBondContact O-N 3.37Å; C332-K335 PolarHBondContact O-N 3.06Å; C332-K335 VanDerWaalsContact O-N 3.16Å; R333-K335 VanDerWaalsContact C-N 3.27Å; R333-K335 PolarHBondContact O-N 2.92Å
336	S	53.4	Low	54	Low	95 Å²	95	122 Å²	122	66%	0.664	71%	0.708	S	S	*	*	H	α-helix	trans	-90.5	-16.8	177	53.6	0	0	0	0	115.6	C332 R333 G338	C332-S336 PolarHBondContact O-N 3.04Å; C332-S336 VanDerWaalsContact O-N 3.16Å; C332-S336 PolarHBondContact O-OG 3.34Å; R333-S336 WeakPolarHBondContact CA-OG 3.48Å; R333-S336 PolarHBondContact O-N 2.88Å; R333-S336 VanDerWaalsContact O-N 3.16Å; R333-S336 PolarHBondContact O-OG 3.19Å; S336-G338 VanDerWaalsContact C-N 3.35Å; S336-G338 PolarHBondContact O-N 2.69Å
337	S	50.3	Low	51.7	Low	96 Å²	96	122.2 Å²	122.2	67%	0.671	72%	0.719	S	S	*	*			trans	-92.5	51.6	-173.9	67.7	0	0	0	0	113.5	R333	R333-S337 PolarHBondContact O-N 2.88Å
338	G	47.1	Very low	49.5	Very low	76 Å²	76	122.9 Å²	122.9	78%	0.784	73%	0.732	S	S	*	*			trans	-140	62.1	-171.1	0	0	0	0	0	115.7	S336	S336-G338 VanDerWaalsContact C-N 3.35Å; S336-G338 PolarHBondContact O-N 2.69Å
339	G	37.4	Very low	47.5	Very low	71 Å²	71	125.6 Å²	125.6	73%	0.732	75%	0.748	S	S	*	*			trans	153	119.4	159.2	0	0	0	0	0	118.5
340	K	35.6	Very low	45.8	Very low	224 Å²	224	127.1 Å²	127.1	97%	0.974	76%	0.763	S	S	*	*			trans	62.4	147.5	158.2	-63.1	171.7	175	175.1	0	118
341	G	35.3	Very low	44	Very low	75 Å²	75	130.8 Å²	130.8	77%	0.773	78%	0.779	S	S	*	*			cis	145.1	107.7	-10.6	0	0	0	0	0	114.3
342	G	33.3	Very low	42.7	Very low	85 Å²	85	130.8 Å²	130.8	88%	0.876	79%	0.792	S	S	*	*			trans	67.1	162.3	171.3	0	0	0	0	0	116.6
343	S	32.9	Very low	41.4	Very low	109 Å²	109	130.9 Å²	130.9	76%	0.762	80%	0.799	S	S	*	*			cis	-162.1	148.6	-10.4	-176	0	0	0	0	109.9
344	Y	35.4	Very low	40.4	Very low	220 Å²	220	130.9 Å²	130.9	86%	0.863	81%	0.808	S	S	*	*			trans	7.2	138.3	164.7	-76.2	-91.7	0	0	0	123.6
345	S	35.1	Very low	39.4	Very low	125 Å²	125	124.3 Å²	124.3	87%	0.874	81%	0.805	S	S	*	*			trans	-156.7	163.9	130.4	48.5	0	0	0	0	112.8
346	Q	36.8	Very low	38.9	Very low	191 Å²	191	120.6 Å²	120.6	89%	0.893	80%	0.803	S	S	*	*			trans	-126.4	162.1	-172.4	-124.5	-177.2	-26	0	0	108.7
347	A	34.7	Very low	38.3	Very low	87 Å²	87	122.9 Å²	122.9	72%	0.719	81%	0.808	S	S	*	*			cis	-148	-157	6	0	0	0	0	0	108
348	A	34.6	Very low	37.9	Very low	90 Å²	90	124.5 Å²	124.5	74%	0.744	81%	0.813	S	S	*	*			cis	-160.9	166.8	4.8	0	0	0	0	0	111.7
349	S	35.2	Very low	37.7	Very low	108 Å²	108	125.4 Å²	125.4	76%	0.755	81%	0.808	S	S	*	*			trans	36.2	118.5	143	-165.4	0	0	0	0	121.9
350	S	37.6	Very low	38	Very low	118 Å²	118	129.3 Å²	129.3	83%	0.825	81%	0.811	S	S	*	*				-171.4	145.4	104.9	28	0	0	0	0	112.6
351	D	37.5	Very low	38.1	Very low	156 Å²	156	125.1 Å²	125.1	83%	0.834	80%	0.804	S	S	*	*			trans	-76.1	150.7	-178.8	-62.8	-71.1	0	0	0	113.8
352	S	45.2	Very low	38.6	Very low	127 Å²	127	129.1 Å²	129.1	89%	0.888	83%	0.83	S	S	*	*				-156.4	139.9	127.9	-28.3	0	0	0	0	112.3
353	A	38.6	Very low	38.9	Very low	92 Å²	92	131.3 Å²	131.3	76%	0.76	83%	0.828	S	S	*	*			trans	-80.7	-177.5	-168	0	0	0	0	0	117
354	Q	42.8	Very low	39.2	Very low	200 Å²	200	132.5 Å²	132.5	94%	0.935	83%	0.831	S	S	*	*			trans	76.2	129.3	165	-63.4	172.9	-29.5	0	0	117
355	G	36	Very low	39.4	Very low	70 Å²	70	127.6 Å²	127.6	72%	0.722	83%	0.83	S	S	*	*			cis	176.8	158.6	-6.3	0	0	0	0	0	112.6
356	S	42.1	Very low	39.7	Very low	117 Å²	117	127.8 Å²	127.8	82%	0.818	83%	0.827	S	S	*	*			trans	18.9	145.8	150	-58.5	0	0	0	0	120.6
357	D	41.9	Very low	39.8	Very low	144 Å²	144	123.8 Å²	123.8	77%	0.77	82%	0.823	S	S	*	*			cis	164.6	172.9	-11.7	-126.3	-39.3	0	0	0	104.5
358	V	40.7	Very low	40.2	Very low	129 Å²	129	126.3 Å²	126.3	78%	0.782	83%	0.83	S	S	*	*			trans	72.2	143.4	165.5	-170.4	0	0	0	0	117.4
359	S	43.3	Very low	40.6	Very low	96 Å²	96	128.9 Å²	128.9	67%	0.671	84%	0.836	S	S	*	*			cis	-170.6	153.2	-32.8	-88.6	0	0	0	0	109.7
360	L	42.8	Very low	41	Very low	153 Å²	153	130.5 Å²	130.5	80%	0.801	84%	0.842	S	S	*	*			trans	18.2	128.7	145.2	-73.6	149.2	0	0	0	121.9
361	T	39.3	Very low	41.3	Very low	135 Å²	135	131.5 Å²	131.5	83%	0.828	84%	0.844	S	S	*	*				-162	135.6	116.1	21.5	0	0	0	0	107.1
362	A	45.6	Very low	41.6	Very low	159 Å²	159	129.3 Å²	129.3	100%	1.314	84%	0.844	S	S	*	*			cis	70.4	0	34	0	0	0	0	0	113.1

Retrieved 362 of 362 residues in 67.2 ms (Link to these results)

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