A0A076V2Z0_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A076V2Z0, 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	35.2	Very low	42.9	Very low	239 Å²	239	140.1 Å²	140.1	100%	1.177	72%	0.719	S	S	*	*				0	102.4	0	-72.7	167.3	175.5	0	0	108
2	R	35.3	Very low	43.2	Very low	244 Å²	244	139.5 Å²	139.5	92%	0.921	72%	0.718	S	S	*	*			trans	-98.5	108.3	170.1	-92.6	-178.5	175.2	166.9	-1.7	106.5	T4	R2-T4 PolarHBondContact O-N 3.25Å
3	V	36.9	Very low	42.9	Very low	141 Å²	141	136.2 Å²	136.2	86%	0.855	70%	0.701	S	S	*	*			trans	-77.4	103.1	172.9	179.4	0	0	0	0	106.7	A5	V3-A5 PolarHBondContact O-N 3.38Å
4	T	44.3	Very low	42.2	Very low	131 Å²	131	140 Å²	140	80%	0.804	70%	0.702	S	S	*	*			trans	-75.6	108.7	167.1	39.7	0	0	0	0	108.1	R2	R2-T4 PolarHBondContact O-N 3.25Å
5	A	42.9	Very low	42.1	Very low	63 Å²	63	133.1 Å²	133.1	52%	0.521	68%	0.681	S	S	.	*			trans	-62.1	145.5	168.5	0	0	0	0	0	109.8	V3 R7	V3-A5 PolarHBondContact O-N 3.38Å; A5-R7 PolarHBondContact O-N 3.36Å
6	P	47.6	Very low	42.1	Very low	75 Å²	75	128.4 Å²	128.4	49%	0.487	67%	0.668	S	S	.	*			trans	-66.9	128.9	-177.8	-8.2	23.2	0	0	0	109.4	T8 L9	P6-T8 PolarHBondContact O-N 3Å; P6-L9 WeakPolarHBondContact O-CB 3.5Å; P6-L9 PolarHBondContact O-N 2.93Å
7	R	46.7	Very low	41.9	Very low	227 Å²	227	125.2 Å²	125.2	86%	0.857	66%	0.655	S	S	*	*	H	α-helix	trans	-51.8	-24.8	177.1	-101.4	176.9	156.2	129.7	-5.9	113.9	A5 L11	A5-R7 PolarHBondContact O-N 3.36Å; R7-L11 PolarHBondContact O-N 3.33Å
8	T	48.8	Very low	41.7	Very low	99 Å²	99	121.4 Å²	121.4	61%	0.607	65%	0.645	S	S	*	*	H	α-helix	trans	-70.5	-33.4	175.5	36.1	0	0	0	0	113.6	P6 L12	P6-T8 PolarHBondContact O-N 3Å; T8-L12 PolarHBondContact O-N 3.45Å
9	L	43	Very low	41.4	Very low	104 Å²	104	119.6 Å²	119.6	55%	0.545	64%	0.635	S	S	.	*	H	α-helix	trans	-71.3	-34	177.8	-139.8	98.4	0	0	0	111.5	P6 L13	P6-L9 WeakPolarHBondContact O-CB 3.5Å; P6-L9 PolarHBondContact O-N 2.93Å; L9-L13 WeakPolarHBondContact O-CD1 3.43Å; L9-L13 WeakPolarHBondContact O-CG 3.47Å; L9-L13 PolarHBondContact O-N 2.67Å
10	L	42.2	Very low	41.2	Very low	93 Å²	93	118.5 Å²	118.5	49%	0.487	63%	0.633	S	S	.	*	H	α-helix	trans	-67.8	-37.3	177.3	-119.7	91.9	0	0	0	112.3	W14	L10-W14 PolarHBondContact O-N 2.62Å
11	L	48.7	Very low	41	Very low	125 Å²	125	120.2 Å²	120.2	65%	0.654	64%	0.637	S	S	*	*	H	α-helix	trans	-71.6	-37.9	179.7	-71.8	167.1	0	0	0	112.5	R7 W14 G15	R7-L11 PolarHBondContact O-N 3.33Å; L11-W14 PolarHBondContact O-N 2.82Å; L11-G15 PolarHBondContact O-N 3.03Å
12	L	46.4	Very low	41.3	Very low	133 Å²	133	113.2 Å²	113.2	70%	0.696	61%	0.608	S	S	*	*	H	α-helix	trans	-65.8	-38.3	174	-75.8	166.6	0	0	0	112	T8 G15 A16	T8-L12 PolarHBondContact O-N 3.45Å; L12-G15 PolarHBondContact O-N 2.94Å; L12-A16 WeakPolarHBondContact O-CB 3.34Å; L12-A16 PolarHBondContact O-N 3.4Å
13	L	39.1	Very low	41.9	Very low	96 Å²	96	103.7 Å²	103.7	50%	0.503	57%	0.572	S	S	.	*	H	α-helix	trans	-66.2	-37.2	174	-78.4	161.5	0	0	0	111.8	L9 V17	L9-L13 WeakPolarHBondContact O-CD1 3.43Å; L9-L13 WeakPolarHBondContact O-CG 3.47Å; L9-L13 PolarHBondContact O-N 2.67Å; L13-V17 VanDerWaalsContact O-CB 3.28Å; L13-V17 WeakPolarHBondContact O-CB 3.23Å; L13-V17 WeakPolarHBondContact O-CG2 3.45Å; L13-V17 PolarHBondContact O-N 3.05Å
14	W	33.8	Very low	42.8	Very low	190 Å²	190	100.1 Å²	100.1	72%	0.72	56%	0.557	S	S	*	*	H	α-helix	trans	-72.6	-36.1	176.8	-78.8	41.3	0	0	0	112.5	L10 L11 A18	L10-W14 PolarHBondContact O-N 2.62Å; L11-W14 PolarHBondContact O-N 2.82Å; W14-A18 WeakPolarHBondContact O-CB 3.44Å; W14-A18 PolarHBondContact O-N 2.7Å
15	G	39.8	Very low	44.3	Very low	37 Å²	37	94.9 Å²	94.9	38%	0.381	53%	0.529	S	S	.	.	H	α-helix	trans	-64.1	-43.4	172.6	0	0	0	0	0	112.5	L11 L12 L19	L11-G15 PolarHBondContact O-N 3.03Å; L12-G15 PolarHBondContact O-N 2.94Å; G15-L19 WeakPolarHBondContact O-CD1 3.43Å; G15-L19 PolarHBondContact O-N 3.3Å
16	A	42.1	Very low	46.6	Very low	57 Å²	57	94.8 Å²	94.8	47%	0.471	52%	0.524	S	S	.	.	H	α-helix	trans	-68.9	-40.7	176.4	0	0	0	0	0	112.7	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.34Å; L12-A16 PolarHBondContact O-N 3.4Å; A16-L19 PolarHBondContact O-N 3.02Å; A16-T20 WeakPolarHBondContact O-CG2 3.38Å; A16-T20 PolarHBondContact O-N 3.46Å; A16-T20 PolarHBondContact O-OG1 2.99Å
17	V	39.8	Very low	49	Very low	75 Å²	75	92.6 Å²	92.6	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-68.9	-41	179	172.4	0	0	0	0	111.5	L13 L19 T20 E21	L13-V17 VanDerWaalsContact O-CB 3.28Å; L13-V17 WeakPolarHBondContact O-CB 3.23Å; L13-V17 WeakPolarHBondContact O-CG2 3.45Å; L13-V17 PolarHBondContact O-N 3.05Å; V17-L19 VanDerWaalsContact C-N 3.3Å; V17-L19 PolarHBondContact O-N 3.21Å; V17-T20 WeakPolarHBondContact CA-OG1 3.2Å; V17-T20 PolarHBondContact O-N 3.01Å; V17-T20 PolarHBondContact O-OG1 2.8Å; V17-E21 PolarHBondContact O-N 3.04Å
18	A	37.2	Very low	51.4	Low	56 Å²	56	82.8 Å²	82.8	46%	0.463	47%	0.474	S	S	.	.	H	α-helix	trans	-65.2	-32.1	177.5	0	0	0	0	0	112.7	W14 T22	W14-A18 WeakPolarHBondContact O-CB 3.44Å; W14-A18 PolarHBondContact O-N 2.7Å; A18-T22 WeakPolarHBondContact O-CG2 3.25Å; A18-T22 PolarHBondContact O-OG1 2.88Å
19	L	36.8	Very low	53.8	Low	88 Å²	88	78.1 Å²	78.1	46%	0.461	45%	0.445	S	S	.	.	H	α-helix	trans	-78.6	-30.3	173.9	-93.7	137.3	0	0	0	112.9	G15 A16 V17 T22	G15-L19 WeakPolarHBondContact O-CD1 3.43Å; G15-L19 PolarHBondContact O-N 3.3Å; A16-L19 PolarHBondContact O-N 3.02Å; V17-L19 VanDerWaalsContact C-N 3.3Å; V17-L19 PolarHBondContact O-N 3.21Å; L19-T22 PolarHBondContact O-OG1 3.21Å; L19-T22 VanDerWaalsContact O-OG1 3.09Å
20	T	37	Very low	56.5	Low	96 Å²	96	75.5 Å²	75.5	59%	0.589	43%	0.428	S	S	*	.	H	α-helix	trans	-75.8	-30.4	174.7	51.8	0	0	0	0	113.2	A16 V17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.38Å; A16-T20 PolarHBondContact O-N 3.46Å; A16-T20 PolarHBondContact O-OG1 2.99Å; V17-T20 WeakPolarHBondContact CA-OG1 3.2Å; V17-T20 PolarHBondContact O-N 3.01Å; V17-T20 PolarHBondContact O-OG1 2.8Å; T20-T22 VanDerWaalsContact C-N 3.35Å
21	E	36.3	Very low	59.2	Low	156 Å²	156	71.6 Å²	71.6	73%	0.729	41%	0.407	S	S	*	.	H	α-helix	trans	-73.6	-24	176.2	-87.2	-171.6	157.6	0	0	113.1	V17	V17-E21 PolarHBondContact O-N 3.04Å
22	T	43.2	Very low	61.5	Low	91 Å²	91	69.7 Å²	69.7	56%	0.558	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-13.2	-177.9	48.6	0	0	0	0	114.4	A18 L19 T20	A18-T22 WeakPolarHBondContact O-CG2 3.25Å; A18-T22 PolarHBondContact O-OG1 2.88Å; L19-T22 PolarHBondContact O-OG1 3.21Å; L19-T22 VanDerWaalsContact O-OG1 3.09Å; T20-T22 VanDerWaalsContact C-N 3.35Å
23	W	47	Very low	64	Low	45 Å²	45	63.7 Å²	63.7	17%	0.17	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-28	-173.5	-74.8	51.3	0	0	0	113.5	G25 E236 E288	W23-G25 PolarHBondContact O-N 2.86Å; W23-E236 HydrophobicContact CH2-CB 4.37Å; W23-E236 HydrophobicContact CH2-CG 3.65Å; W23-E236 HydrophobicContact CZ2-CG 3.82Å; W23-E236 HydrophobicContact CZ3-CB 4.38Å; W23-E236 HydrophobicContact CZ3-CG 4.07Å; W23-E236 VanDerWaalsContact CZ3-O 3.29Å; W23-E236 WeakPolarHBondContact CZ3-O 3.1Å; W23-E288 HydrophobicContact CB-CG 4.43Å; W23-E288 HydrophobicContact CE3-CB 3.97Å; W23-E288 VanDerWaalsContact CE3-N 3.35Å
24	A	55.2	Low	66.9	Low	65 Å²	65	61.1 Å²	61.1	54%	0.537	35%	0.351	S	S	.	.	S	Bend	trans	-89.3	106.7	-174.9	0	0	0	0	0	111.8
25	G	76.4	Confident	70	Confident	21 Å²	21	52.1 Å²	52.1	22%	0.216	32%	0.317	C	S	.	.	S	Bend	trans	92.8	13.4	157	0	0	0	0	0	117.6	W23 G128 P129	W23-G25 PolarHBondContact O-N 2.86Å; G25-G128 CarbonylContact O-C 3.55Å; G25-P129 WeakPolarHBondContact O-CA 3.21Å; G25-P129 WeakPolarHBondContact O-CG 3.46Å; G25-P129 VanDerWaalsContact O-N 3.16Å
26	S	92.2	Very high	72.8	Confident	61 Å²	61	52.8 Å²	52.8	43%	0.427	31%	0.313	S	S	.	.			trans	-85.1	144.5	161.4	60.7	0	0	0	0	110.5	V127	S26-V127 CarbonylContact C-O 3.53Å; S26-V127 VanDerWaalsContact CA-O 3.24Å; S26-V127 WeakPolarHBondContact CA-O 3.34Å; S26-V127 WeakPolarHBondContact CB-O 3.31Å
27	H	96.9	Very high	75.4	Confident	29 Å²	29	50.7 Å²	50.7	13%	0.134	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	157.8	178.2	-67.4	-77	0	0	0	110.8	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.26Å; H27-D53 WeakPolarHBondContact CA-OD1 3.31Å; H27-D53 IonicContact CE1-OD2 3.65Å; H27-D53 IonicContact CG-OD2 3.37Å; H27-D53 IonicContact ND1-OD1 3Å; H27-D53 IonicContact ND1-OD2 2.96Å; H27-D53 PolarHBondContact ND1-OD2 2.67Å; H27-D126 CarbonylContact O-C 3.52Å; H27-D126 WeakPolarHBondContact O-CA 3.35Å; H27-V127 HydrophobicContact CB-CG2 4.04Å; H27-V127 PolarHBondContact N-O 2.9Å; H27-V127 PolarHBondContact O-N 3.3Å; H27-L192 HydrophobicContact CB-CD1 4.42Å; H27-L196 HydrophobicContact CB-CD1 3.65Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.39Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.47Å
28	S	98.1	Very high	78.1	Confident	22 Å²	22	50.6 Å²	50.6	15%	0.154	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	147.9	179.7	64.2	0	0	0	0	111.7	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.57Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.28Å; S28-D53 PolarHBondContact N-OD1 2.87Å; S28-D53 PolarHBondContact O-N 2.87Å; S28-D53 PolarHBondContact OG-OD1 3.23Å; S28-C125 WeakPolarHBondContact CA-O 3.42Å; S28-D126 WeakPolarHBondContact CB-OD1 3.05Å
29	M	98.8	Very high	80.8	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.8	165.3	-174	170.3	65	0	0	108.4	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.17Å; M29-Y31 HydrophobicContact CG-CE2 4.14Å; M29-Y31 HydrophobicContact SD-CE2 4.07Å; M29-Y51 WeakPolarHBondContact CA-O 3.4Å; M29-V52 HydrophobicContact CG-CG2 4.38Å; M29-F57 HydrophobicContact CG-CE1 4.46Å; M29-F57 HydrophobicContact SD-CZ 4.36Å; M29-G124 CarbonylContact O-C 3.5Å; M29-G124 WeakPolarHBondContact O-CA 3.39Å; M29-C125 PolarHBondContact N-O 3.49Å; M29-C125 PolarHBondContact O-N 2.96Å; M29-C188 HydrophobicContact CE-CB 4.18Å; M29-C188 WeakPolarHBondContact CE-O 3.47Å; M29-C188 VanDerWaalsContact CE-SG 3.52Å; M29-W191 HydrophobicContact CE-CB 4.04Å; M29-W191 HydrophobicContact SD-CB 4.37Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.01Å; M29-L192 HydrophobicContact CB-CD2 4.11Å; M29-L192 HydrophobicContact CB-CG 4.27Å; M29-L192 HydrophobicContact SD-CB 4.48Å; M29-Y195 HydrophobicContact SD-CD2 3.72Å; M29-Y195 HydrophobicContact SD-CE2 3.53Å; M29-Y195 VanDerWaalsContact SD-CE2 3.53Å
30	R	98.7	Very high	83.5	Confident	48 Å²	48	50.6 Å²	50.6	18%	0.181	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	134.8	-176.9	-56.6	-63.1	-178.5	75.3	3.3	110.7	F32 G50 Y51 D126	R30-F32 HydrophobicContact CB-CD2 4.47Å; R30-F32 HydrophobicContact CB-CE2 3.64Å; R30-F32 HydrophobicContact CB-CZ 3.96Å; R30-G50 WeakPolarHBondContact O-CA 3.16Å; R30-Y51 PolarHBondContact N-O 3.17Å; R30-Y51 PolarHBondContact O-N 3.35Å; R30-D126 IonicContact CZ-OD1 3.18Å; R30-D126 IonicContact NE-OD1 3.79Å; R30-D126 PolarHBondContact NE-OD1 3.33Å; R30-D126 IonicContact NH2-OD1 2.7Å; R30-D126 PolarHBondContact NH2-OD1 3.49Å; R30-D126 IonicContact NH2-OD2 3.41Å; R30-D126 PolarHBondContact NH2-OD2 2.95Å
31	Y	98.8	Very high	86.2	Confident	12 Å²	12	55.9 Å²	55.9	5%	0.047	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137.4	170.2	-72.4	-88.3	0	0	0	109.5	M29 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.17Å; M29-Y31 HydrophobicContact CG-CE2 4.14Å; M29-Y31 HydrophobicContact SD-CE2 4.07Å; Y31-V49 WeakPolarHBondContact CA-O 3.09Å; Y31-F57 HydrophobicContact CE1-CZ 4.06Å; Y31-F57 AromaticContact CZ-CZ 3.75Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.42Å; Y31-V58 HydrophobicContact CE1-CG2 3.92Å; Y31-M122 WeakPolarHBondContact O-CA 3.49Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.46Å; Y31-Y123 HydrophobicContact CD2-CE1 4.45Å; Y31-Y123 AromaticContact CD2-CE2 3.99Å; Y31-Y123 HydrophobicContact CD2-CE2 3.99Å; Y31-Y123 AromaticContact CD2-CZ 3.82Å; Y31-Y123 HydrophobicContact CG-CE1 4.09Å; Y31-Y123 HydrophobicContact CG-CE2 4.41Å; Y31-Y123 AromaticContact CG-CZ 3.78Å; Y31-Y123 PolarHBondContact N-O 3.39Å; Y31-Y123 PolarHBondContact O-N 3.44Å
32	F	98.9	Very high	88.9	Confident	85 Å²	85	51.2 Å²	51.2	37%	0.373	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	116.8	179.1	-58.8	-94.8	0	0	0	109.2	R30 T48 V49 Y51 N121 M122	R30-F32 HydrophobicContact CB-CD2 4.47Å; R30-F32 HydrophobicContact CB-CE2 3.64Å; R30-F32 HydrophobicContact CB-CZ 3.96Å; F32-T48 VanDerWaalsContact O-CA 3.3Å; F32-T48 WeakPolarHBondContact O-CA 3.49Å; F32-V49 HydrophobicContact CB-CG2 3.92Å; F32-V49 HydrophobicContact CD2-CG2 4.35Å; F32-V49 PolarHBondContact N-O 2.94Å; F32-V49 PolarHBondContact O-N 2.85Å; F32-V49 VanDerWaalsContact O-N 3.07Å; F32-Y51 HydrophobicContact CD2-CD2 4.17Å; F32-Y51 HydrophobicContact CE2-CD2 4.17Å; F32-N121 WeakPolarHBondContact CA-O 3.4Å; F32-M122 HydrophobicContact CD1-CB 4Å; F32-M122 HydrophobicContact CD1-CG 3.68Å; F32-M122 HydrophobicContact CE1-CB 4.11Å; F32-M122 HydrophobicContact CE1-CG 3.37Å; F32-M122 HydrophobicContact CZ-CG 3.98Å
33	H	98.8	Very high	91.4	Very high	6 Å²	6	51 Å²	51	3%	0.028	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	140.7	173.5	-52.6	143.2	0	0	0	110.1	F46 T48 Y98 Q120 N121 Y123	H33-F46 HydrophobicContact CB-CE2 3.96Å; H33-F46 HydrophobicContact CB-CZ 4.12Å; H33-F46 AromaticContact CD2-CZ 3.92Å; H33-T48 VanDerWaalsContact CD2-CB 3.5Å; H33-T48 WeakPolarHBondContact CD2-CB 3.34Å; H33-T48 PolarHBondContact CD2-OG1 3.05Å; H33-Y98 HydrophobicContact CB-CE1 3.92Å; H33-Y98 AromaticContact ND1-CZ 3.9Å; H33-Y98 PolarHBondContact ND1-OH 3.43Å; H33-Y98 VanDerWaalsContact ND1-OH 3.13Å; H33-Q120 VanDerWaalsContact O-CA 3.27Å; H33-Q120 WeakPolarHBondContact O-CA 3.38Å; H33-N121 HydrophobicContact CB-CB 4.11Å; H33-N121 PolarHBondContact N-O 2.94Å; H33-N121 PolarHBondContact ND1-OD1 3.35Å; H33-N121 PolarHBondContact O-N 2.62Å; H33-Y123 AromaticContact CE1-CD1 3.94Å; H33-Y123 AromaticContact CE1-CE1 3.09Å; H33-Y123 WeakPolarHBondContact CE1-CE1 3.35Å; H33-Y123 AromaticContact CE1-CZ 3.83Å; H33-Y123 AromaticContact ND1-CE1 3.77Å; H33-Y123 AromaticContact NE2-CE1 3.53Å
34	T	98.8	Very high	93.8	Very high	43 Å²	43	50 Å²	50	26%	0.264	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	123.2	170.6	-61.3	0	0	0	0	109.4	V36 F46 I47 T118 Q120	T34-V36 HydrophobicContact CG2-CG2 3.96Å; T34-F46 WeakPolarHBondContact O-CA 3.35Å; T34-I47 PolarHBondContact N-O 2.91Å; T34-I47 PolarHBondContact O-N 2.91Å; T34-T118 HydrophobicContact CG2-CG2 4.11Å; T34-Q120 HydrophobicContact CG2-CG 4.18Å
35	S	98.7	Very high	95.8	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.007	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.7	170.9	-165.4	0	0	0	0	110.6	R45 L102 T118 L119	S35-R45 CarbonylContact C-O 3.59Å; S35-R45 VanDerWaalsContact CA-O 3.24Å; S35-R45 WeakPolarHBondContact CA-O 3.3Å; S35-L102 WeakPolarHBondContact OG-CD1 3.44Å; S35-T118 WeakPolarHBondContact O-CA 3.18Å; S35-L119 PolarHBondContact N-O 3.03Å; S35-L119 PolarHBondContact O-N 3.39Å
36	V	98.6	Very high	96.9	Very high	50 Å²	50	50.1 Å²	50.1	30%	0.303	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	115.9	-178.8	-173.7	0	0	0	0	109.2	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 3.96Å; V36-P44 CarbonylContact O-C 3.49Å; V36-P44 WeakPolarHBondContact O-CA 3.49Å; V36-P44 WeakPolarHBondContact O-CB 3.32Å; V36-R45 PolarHBondContact N-O 2.98Å; V36-R45 PolarHBondContact O-N 3.19Å; V36-H117 WeakPolarHBondContact CA-O 3.49Å; V36-T118 HydrophobicContact CG2-CG2 4.21Å
37	S	97.9	Very high	97.2	Very high	14 Å²	14	49.5 Å²	49.5	10%	0.098	27%	0.269	C	S	.	.			trans	-69.4	146.7	173.1	71.1	0	0	0	0	110.3	S116 H117	S37-S116 PolarHBondContact O-OG 3.03Å; S37-H117 PolarHBondContact N-O 3.41Å; S37-H117 PolarHBondContact OG-N 3.33Å; S37-H117 PolarHBondContact OG-O 2.94Å
38	R	96.3	Very high	97.3	Very high	73 Å²	73	48.2 Å²	48.2	28%	0.275	26%	0.263	S	S	.	.			trans	-140.3	73.4	-179.5	51.4	174.8	175.4	-160.2	-7.8	110.6	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 2.92Å; R38-R41 HydrophobicContact CB-CB 4.13Å; R38-R41 WeakPolarHBondContact CD-O 3.32Å; R38-R41 HydrophobicContact CG-CB 4.18Å; R38-R41 PolarHBondContact NE-O 3.04Å; R38-R41 PolarHBondContact O-N 2.91Å; R38-E43 PolarHBondContact NE-O 3.25Å; R38-E43 PolarHBondContact NH2-O 3.45Å; R38-E43 VanDerWaalsContact NH2-O 3.09Å; R38-D63 IonicContact CZ-OD1 2.97Å; R38-D63 IonicContact CZ-OD2 3.36Å; R38-D63 IonicContact NH1-OD1 3.71Å; R38-D63 PolarHBondContact NH1-OD1 2.82Å; R38-D63 IonicContact NH1-OD2 2.77Å; R38-D63 PolarHBondContact NH1-OD2 2.87Å; R38-D63 IonicContact NH2-OD1 2.71Å; R38-D63 PolarHBondContact NH2-OD1 3.31Å; R38-D63 IonicContact NH2-OD2 3.17Å
39	P	93.8	Very high	97.3	Very high	55 Å²	55	48.7 Å²	48.7	36%	0.357	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	131.9	-176.4	-27	34.9	0	0	0	112.3	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.26Å; P39-E113 VanDerWaalsContact CB-O 3.28Å; P39-E113 WeakPolarHBondContact CB-O 3.16Å; P39-E113 WeakPolarHBondContact CG-O 3.33Å; P39-G115 WeakPolarHBondContact CG-O 3.44Å
40	G	92.8	Very high	97.3	Very high	89 Å²	89	48.6 Å²	48.6	92%	0.918	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	1.4	-177.1	0	0	0	0	0	115.8	R38	R38-G40 PolarHBondContact O-N 2.92Å
41	R	94.2	Very high	97.3	Very high	207 Å²	207	49.9 Å²	49.9	78%	0.781	27%	0.27	S	S	*	.	S	Bend	trans	-124.3	24.4	179.3	-58.8	-173.9	-178.8	-179.2	1	113.5	R38 P39	R38-R41 HydrophobicContact CB-CB 4.13Å; R38-R41 WeakPolarHBondContact CD-O 3.32Å; R38-R41 HydrophobicContact CG-CB 4.18Å; R38-R41 PolarHBondContact NE-O 3.04Å; R38-R41 PolarHBondContact O-N 2.91Å; P39-R41 PolarHBondContact O-N 3.26Å
42	G	92.7	Very high	97.3	Very high	57 Å²	57	49.3 Å²	49.3	59%	0.588	27%	0.268	S	S	*	.	S	Bend	trans	96.1	-161.3	179	0	0	0	0	0	113.7
43	E	95.1	Very high	97.2	Very high	86 Å²	86	46.7 Å²	46.7	40%	0.402	26%	0.258	S	S	.	.	S	Bend	trans	-71.6	156.3	-178.3	-65	-56.8	158.7	0	0	112.6	R38 R45 R99	R38-E43 PolarHBondContact NE-O 3.25Å; R38-E43 PolarHBondContact NH2-O 3.45Å; R38-E43 VanDerWaalsContact NH2-O 3.09Å; E43-R45 PolarHBondContact O-N 3.17Å; E43-R99 IonicContact OE1-CZ 3.06Å; E43-R99 IonicContact OE1-NE 2.77Å; E43-R99 IonicContact OE1-NH1 2.85Å; E43-R99 IonicContact OE1-NH2 3.67Å; E43-R99 PolarHBondContact OE1-NH2 3.44Å; E43-R99 VanDerWaalsContact OE2-CD 3.28Å; E43-R99 WeakPolarHBondContact OE2-CD 3.46Å; E43-R99 IonicContact OE2-CZ 3.78Å; E43-R99 IonicContact OE2-NE 3.61Å; E43-R99 PolarHBondContact OE2-NE 3.16Å; E43-R99 IonicContact OE2-NH1 3.62Å; E43-R99 IonicContact OE2-NH2 3.57Å; E43-R99 PolarHBondContact OE2-NH2 3.39Å
44	P	97.6	Very high	97.1	Very high	24 Å²	24	49.4 Å²	49.4	16%	0.156	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-52.3	132.7	173.5	-25.4	34.6	0	0	0	111.6	V36 R99 L102	V36-P44 CarbonylContact O-C 3.49Å; V36-P44 WeakPolarHBondContact O-CA 3.49Å; V36-P44 WeakPolarHBondContact O-CB 3.32Å; P44-R99 HydrophobicContact CG-CB 4.36Å; P44-R99 HydrophobicContact CG-CG 4.24Å; P44-L102 HydrophobicContact CB-CD1 3.76Å; P44-L102 HydrophobicContact CG-CD1 3.88Å
45	R	98.4	Very high	97.1	Very high	89 Å²	89	48 Å²	48	34%	0.336	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	130	173.3	-176.2	-179.3	-175.5	-178.6	-1.9	108.4	S35 V36 E43 I47 D61 S62 D63	S35-R45 CarbonylContact C-O 3.59Å; S35-R45 VanDerWaalsContact CA-O 3.24Å; S35-R45 WeakPolarHBondContact CA-O 3.3Å; V36-R45 PolarHBondContact N-O 2.98Å; V36-R45 PolarHBondContact O-N 3.19Å; E43-R45 PolarHBondContact O-N 3.17Å; R45-I47 HydrophobicContact CG-CG1 4.25Å; R45-D61 IonicContact CZ-OD1 3.7Å; R45-D61 IonicContact CZ-OD2 2.64Å; R45-D61 IonicContact NE-OD1 2.69Å; R45-D61 PolarHBondContact NE-OD1 3.23Å; R45-D61 IonicContact NE-OD2 3.18Å; R45-D61 IonicContact NH2-OD1 3.79Å; R45-D61 PolarHBondContact NH2-OD1 3.4Å; R45-D61 IonicContact NH2-OD2 3.18Å; R45-D61 PolarHBondContact NH2-OD2 3.17Å; R45-S62 WeakPolarHBondContact CA-OG 3.4Å; R45-D63 VanDerWaalsContact CD-OD2 3.26Å; R45-D63 WeakPolarHBondContact CD-OD2 3.33Å; R45-D63 HydrophobicContact CG-CB 4.41Å; R45-D63 IonicContact NE-OD2 2.92Å
46	F	98.7	Very high	97	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.5	176.4	-179.6	-96.9	0	0	0	109.8	H33 T34 T48 F60 S62 K94 A95 Y98	H33-F46 HydrophobicContact CB-CE2 3.96Å; H33-F46 HydrophobicContact CB-CZ 4.12Å; H33-F46 AromaticContact CD2-CZ 3.92Å; T34-F46 WeakPolarHBondContact O-CA 3.35Å; F46-T48 HydrophobicContact CE1-CG2 3.98Å; F46-F60 AromaticContact CD1-CD1 3.99Å; F46-F60 HydrophobicContact CD1-CD1 3.99Å; F46-F60 AromaticContact CD1-CE1 3.93Å; F46-F60 HydrophobicContact CD1-CE1 3.93Å; F46-F60 HydrophobicContact CE1-CD1 4.34Å; F46-S62 PolarHBondContact N-OG 3.09Å; F46-S62 PolarHBondContact O-N 3.49Å; F46-S62 PolarHBondContact O-OG 3.46Å; F46-K94 HydrophobicContact CE1-CB 4.38Å; F46-K94 HydrophobicContact CE2-CB 4.37Å; F46-K94 HydrophobicContact CZ-CB 3.83Å; F46-A95 HydrophobicContact CB-CB 3.75Å; F46-A95 HydrophobicContact CD1-CB 3.83Å; F46-A95 HydrophobicContact CD2-CB 4.42Å; F46-A95 HydrophobicContact CG-CB 3.75Å; F46-Y98 HydrophobicContact CD2-CD1 4.32Å; F46-Y98 HydrophobicContact CD2-CG 4.11Å; F46-Y98 HydrophobicContact CE2-CD1 4.07Å; F46-Y98 AromaticContact CE2-CD2 3.95Å; F46-Y98 HydrophobicContact CE2-CD2 3.95Å; F46-Y98 HydrophobicContact CE2-CE1 4.29Å; F46-Y98 HydrophobicContact CE2-CE2 4.2Å; F46-Y98 AromaticContact CE2-CG 3.87Å; F46-Y98 HydrophobicContact CE2-CG 3.87Å
47	I	98.8	Very high	97	Very high	49 Å²	49	47.9 Å²	47.9	25%	0.251	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135	175.5	-56.7	174.9	0	0	0	107.6	T34 R45 F60	T34-I47 PolarHBondContact N-O 2.91Å; T34-I47 PolarHBondContact O-N 2.91Å; R45-I47 HydrophobicContact CG-CG1 4.25Å; I47-F60 WeakPolarHBondContact CA-O 3.42Å
48	T	98.8	Very high	97.1	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	144.2	168.4	175.8	0	0	0	0	110.2	F32 H33 F46 R59 F60 C91	F32-T48 VanDerWaalsContact O-CA 3.3Å; F32-T48 WeakPolarHBondContact O-CA 3.49Å; H33-T48 VanDerWaalsContact CD2-CB 3.5Å; H33-T48 WeakPolarHBondContact CD2-CB 3.34Å; H33-T48 PolarHBondContact CD2-OG1 3.05Å; F46-T48 HydrophobicContact CE1-CG2 3.98Å; T48-R59 WeakPolarHBondContact O-CA 3.39Å; T48-F60 HydrophobicContact CG2-CB 3.54Å; T48-F60 HydrophobicContact CG2-CD1 4.26Å; T48-F60 HydrophobicContact CG2-CG 4.23Å; T48-F60 PolarHBondContact N-O 3.24Å; T48-F60 PolarHBondContact O-N 3.4Å; T48-C91 HydrophobicContact CG2-CB 4.43Å
49	V	98.9	Very high	97.2	Very high	32 Å²	32	48 Å²	48	19%	0.194	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	139.5	172.4	-68.5	0	0	0	0	109.6	Y31 F32 Y51 L56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.09Å; F32-V49 HydrophobicContact CB-CG2 3.92Å; F32-V49 HydrophobicContact CD2-CG2 4.35Å; F32-V49 PolarHBondContact N-O 2.94Å; F32-V49 PolarHBondContact O-N 2.85Å; F32-V49 VanDerWaalsContact O-N 3.07Å; V49-Y51 HydrophobicContact CB-CE2 4.09Å; V49-Y51 HydrophobicContact CG2-CD2 4.34Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; V49-L56 HydrophobicContact CB-CD1 3.71Å; V49-L56 HydrophobicContact CG1-CD1 4.01Å; V49-V58 WeakPolarHBondContact CA-O 3.47Å; V49-R59 HydrophobicContact CG1-CB 4.22Å; V49-R59 HydrophobicContact CG1-CG 4.14Å
50	G	98.8	Very high	97.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.7	175.4	0	0	0	0	0	111	R30 F57 V58	R30-G50 WeakPolarHBondContact O-CA 3.16Å; G50-F57 WeakPolarHBondContact O-CD1 3.34Å; G50-F57 PolarHBondContact O-N 2.82Å; G50-V58 PolarHBondContact N-O 3.41Å; G50-V58 PolarHBondContact O-N 3.08Å
51	Y	98.8	Very high	97.7	Very high	75 Å²	75	42.2 Å²	42.2	29%	0.294	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141.4	177.3	-78.3	-101.2	0	0	0	110.8	M29 R30 F32 V49 T55 L56	M29-Y51 WeakPolarHBondContact CA-O 3.4Å; R30-Y51 PolarHBondContact N-O 3.17Å; R30-Y51 PolarHBondContact O-N 3.35Å; F32-Y51 HydrophobicContact CD2-CD2 4.17Å; F32-Y51 HydrophobicContact CE2-CD2 4.17Å; V49-Y51 HydrophobicContact CB-CE2 4.09Å; V49-Y51 HydrophobicContact CG2-CD2 4.34Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; Y51-T55 WeakPolarHBondContact CA-O 3.18Å; Y51-T55 VanDerWaalsContact CD1-C 3.46Å; Y51-L56 HydrophobicContact CD1-CB 4.18Å; Y51-L56 VanDerWaalsContact CD1-N 3.32Å; Y51-L56 HydrophobicContact CD2-CD1 4.04Å; Y51-L56 HydrophobicContact CE1-CB 3.64Å; Y51-L56 HydrophobicContact CE1-CD1 4.42Å; Y51-L56 HydrophobicContact CE2-CB 4.27Å; Y51-L56 HydrophobicContact CE2-CD1 3.48Å; Y51-L56 VanDerWaalsContact CE2-CD1 3.48Å; Y51-L56 HydrophobicContact CE2-CG 4.46Å
52	V	98.6	Very high	97.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	118.1	156.9	177.3	0	0	0	0	106.6	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.57Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.28Å; M29-V52 HydrophobicContact CG-CG2 4.38Å; V52-D54 PolarHBondContact O-N 3.06Å; V52-T55 PolarHBondContact N-O 2.85Å; V52-T55 WeakPolarHBondContact O-CB 3.35Å; V52-T55 PolarHBondContact O-N 2.94Å; V52-F57 HydrophobicContact CG2-CD1 4.01Å; V52-F57 HydrophobicContact CG2-CE1 4.02Å; V52-W75 HydrophobicContact CB-CH2 4.44Å; V52-W75 HydrophobicContact CB-CZ2 4.48Å; V52-W75 HydrophobicContact CG2-CH2 3.88Å; V52-W75 HydrophobicContact CG2-CZ2 4.4Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; V52-Y195 HydrophobicContact CG2-CD2 3.99Å; V52-L196 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CB-CD1 4.29Å; V52-L203 HydrophobicContact CB-CD2 4.16Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CG1-CG 4.49Å
53	D	97	Very high	98.1	Very high	29 Å²	29	34.5 Å²	34.5	16%	0.155	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	-127.5	-165.7	-52.7	-40.4	0	0	0	110.2	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.26Å; H27-D53 WeakPolarHBondContact CA-OD1 3.31Å; H27-D53 IonicContact CE1-OD2 3.65Å; H27-D53 IonicContact CG-OD2 3.37Å; H27-D53 IonicContact ND1-OD1 3Å; H27-D53 IonicContact ND1-OD2 2.96Å; H27-D53 PolarHBondContact ND1-OD2 2.67Å; S28-D53 PolarHBondContact N-OD1 2.87Å; S28-D53 PolarHBondContact O-N 2.87Å; S28-D53 PolarHBondContact OG-OD1 3.23Å; D53-T55 VanDerWaalsContact C-N 3.31Å; D53-T55 PolarHBondContact O-N 3.21Å
54	D	96.9	Very high	98.3	Very high	63 Å²	63	32 Å²	32	34%	0.337	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	12.7	176.8	-57.8	-58.1	0	0	0	114.3	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.06Å; D54-Y233 HydrophobicContact CB-CE2 3.91Å; D54-P234 WeakPolarHBondContact OD2-CB 3.48Å; D54-A235 HydrophobicContact CB-CB 4.34Å; D54-A235 WeakPolarHBondContact OD2-CB 3.46Å; D54-A235 PolarHBondContact OD2-N 3.19Å; D54-F265 HydrophobicContact CB-CE2 3.76Å; D54-F265 HydrophobicContact CB-CZ 3.72Å
55	T	97.4	Very high	98.2	Very high	14 Å²	14	36.4 Å²	36.4	9%	0.086	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	112.5	-177.5	-57.3	0	0	0	0	111.8	Y51 V52 D53 F57 L203 Y233 R263	Y51-T55 WeakPolarHBondContact CA-O 3.18Å; Y51-T55 VanDerWaalsContact CD1-C 3.46Å; V52-T55 PolarHBondContact N-O 2.85Å; V52-T55 WeakPolarHBondContact O-CB 3.35Å; V52-T55 PolarHBondContact O-N 2.94Å; D53-T55 VanDerWaalsContact C-N 3.31Å; D53-T55 PolarHBondContact O-N 3.21Å; T55-F57 PolarHBondContact O-N 2.93Å; T55-L203 HydrophobicContact CG2-CD2 4.1Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.43Å; T55-Y233 PolarHBondContact OG1-OH 2.8Å; T55-R263 PolarHBondContact OG1-NE 2.92Å
56	L	98.1	Very high	98.2	Very high	49 Å²	49	35.6 Å²	35.6	26%	0.257	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	127.7	171.5	178.6	70.7	0	0	0	109.8	V49 Y51 V58 R72	V49-L56 HydrophobicContact CB-CD1 3.71Å; V49-L56 HydrophobicContact CG1-CD1 4.01Å; Y51-L56 HydrophobicContact CD1-CB 4.18Å; Y51-L56 VanDerWaalsContact CD1-N 3.32Å; Y51-L56 HydrophobicContact CD2-CD1 4.04Å; Y51-L56 HydrophobicContact CE1-CB 3.64Å; Y51-L56 HydrophobicContact CE1-CD1 4.42Å; Y51-L56 HydrophobicContact CE2-CB 4.27Å; Y51-L56 HydrophobicContact CE2-CD1 3.48Å; Y51-L56 VanDerWaalsContact CE2-CD1 3.48Å; Y51-L56 HydrophobicContact CE2-CG 4.46Å; L56-V58 WeakPolarHBondContact CD1-O 3.39Å; L56-R72 HydrophobicContact CD2-CB 3.89Å; L56-R72 HydrophobicContact CD2-CG 3.85Å; L56-R72 HydrophobicContact CG-CB 3.76Å; L56-R72 HydrophobicContact CG-CG 4.05Å
57	F	98.4	Very high	98.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	-25.4	-179.9	77.4	-84	0	0	0	114.7	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.46Å; M29-F57 HydrophobicContact SD-CZ 4.36Å; Y31-F57 HydrophobicContact CE1-CZ 4.06Å; Y31-F57 AromaticContact CZ-CZ 3.75Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.42Å; G50-F57 WeakPolarHBondContact O-CD1 3.34Å; G50-F57 PolarHBondContact O-N 2.82Å; V52-F57 HydrophobicContact CG2-CD1 4.01Å; V52-F57 HydrophobicContact CG2-CE1 4.02Å; T55-F57 PolarHBondContact O-N 2.93Å; F57-R72 PolarHBondContact O-N 2.79Å; F57-A73 HydrophobicContact CB-CB 4.05Å; F57-W75 HydrophobicContact CB-CH2 3.16Å; F57-W75 HydrophobicContact CB-CZ2 3.32Å; F57-W75 HydrophobicContact CB-CZ3 4.03Å; F57-W75 HydrophobicContact CD1-CH2 4.04Å; F57-W75 AromaticContact CD2-CH2 3.67Å; F57-W75 HydrophobicContact CD2-CH2 3.67Å; F57-W75 AromaticContact CD2-CZ3 3.98Å; F57-W75 HydrophobicContact CD2-CZ3 3.98Å; F57-W75 AromaticContact CG-CH2 3.38Å; F57-W75 HydrophobicContact CG-CH2 3.38Å; F57-W75 HydrophobicContact CG-CZ2 4.03Å; F57-W75 HydrophobicContact CG-CZ3 4.16Å; F57-I76 HydrophobicContact CD2-CB 4.37Å; F57-I76 HydrophobicContact CD2-CD1 3.99Å; F57-I76 HydrophobicContact CD2-CG1 4.01Å; F57-I76 HydrophobicContact CE2-CD1 4.25Å; F57-I76 VanDerWaalsContact O-CG2 3.29Å; F57-I76 WeakPolarHBondContact O-CG2 3.48Å; F57-Y195 HydrophobicContact CE2-CD2 4.26Å; F57-Y195 AromaticContact CE2-CE2 3.69Å; F57-Y195 HydrophobicContact CE2-CE2 3.69Å; F57-Y195 HydrophobicContact CZ-CD2 4.3Å; F57-Y195 AromaticContact CZ-CE2 3.81Å; F57-Y195 HydrophobicContact CZ-CE2 3.81Å
58	V	98.7	Very high	98.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	154.6	176.8	-72.1	0	0	0	0	112.7	Y31 V49 G50 L56 E69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.92Å; V49-V58 WeakPolarHBondContact CA-O 3.47Å; G50-V58 PolarHBondContact N-O 3.41Å; G50-V58 PolarHBondContact O-N 3.08Å; L56-V58 WeakPolarHBondContact CD1-O 3.39Å; V58-E69 HydrophobicContact CB-CG 4.12Å; V58-E69 WeakPolarHBondContact CB-OE1 3.19Å; V58-E69 HydrophobicContact CG1-CG 4.2Å; V58-E69 WeakPolarHBondContact CG2-OE1 3.34Å; V58-E70 WeakPolarHBondContact CA-O 3.5Å; V58-I76 HydrophobicContact CG1-CG1 4.25Å; V58-W84 HydrophobicContact CG1-CH2 4.14Å; V58-W84 HydrophobicContact CG1-CZ3 3.96Å
59	R	98.6	Very high	98.1	Very high	89 Å²	89	41.8 Å²	41.8	34%	0.336	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	143	174.4	172.9	174.2	168.7	172.1	-0.1	111.1	T48 V49 D61 E70 R72	T48-R59 WeakPolarHBondContact O-CA 3.39Å; V49-R59 HydrophobicContact CG1-CB 4.22Å; V49-R59 HydrophobicContact CG1-CG 4.14Å; R59-D61 IonicContact NH2-OD2 3.79Å; R59-D61 PolarHBondContact NH2-OD2 3.02Å; R59-E70 PolarHBondContact N-O 3Å; R59-E70 PolarHBondContact O-N 2.97Å; R59-R72 HydrophobicContact CB-CG 4.06Å
60	F	98.8	Very high	98	Very high	5 Å²	5	43.7 Å²	43.7	2%	0.022	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	145	162.7	166.5	-67.9	0	0	0	111	F46 I47 T48 P67 R68 E69 C91 K92	F46-F60 AromaticContact CD1-CD1 3.99Å; F46-F60 HydrophobicContact CD1-CD1 3.99Å; F46-F60 AromaticContact CD1-CE1 3.93Å; F46-F60 HydrophobicContact CD1-CE1 3.93Å; F46-F60 HydrophobicContact CE1-CD1 4.34Å; I47-F60 WeakPolarHBondContact CA-O 3.42Å; T48-F60 HydrophobicContact CG2-CB 3.54Å; T48-F60 HydrophobicContact CG2-CD1 4.26Å; T48-F60 HydrophobicContact CG2-CG 4.23Å; T48-F60 PolarHBondContact N-O 3.24Å; T48-F60 PolarHBondContact O-N 3.4Å; F60-P67 HydrophobicContact CE1-CB 4.46Å; F60-P67 HydrophobicContact CE2-CB 3.71Å; F60-P67 HydrophobicContact CZ-CB 3.62Å; F60-R68 VanDerWaalsContact CD2-C 3.46Å; F60-E69 WeakPolarHBondContact CB-OE2 3.49Å; F60-C91 HydrophobicContact CB-CB 4.17Å; F60-C91 HydrophobicContact CD1-CB 3.95Å; F60-C91 HydrophobicContact CD2-CB 3.53Å; F60-C91 HydrophobicContact CE1-CB 4.22Å; F60-C91 HydrophobicContact CE2-CB 3.82Å; F60-C91 HydrophobicContact CG-CB 3.64Å; F60-C91 HydrophobicContact CZ-CB 4.16Å; F60-K92 HydrophobicContact CE2-CG 4.02Å; F60-K92 HydrophobicContact CZ-CG 3.97Å
61	D	98.7	Very high	98	Very high	18 Å²	18	45.9 Å²	45.9	10%	0.096	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	119	179.3	-164.1	-26.6	0	0	0	109.5	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.7Å; R45-D61 IonicContact CZ-OD2 2.64Å; R45-D61 IonicContact NE-OD1 2.69Å; R45-D61 PolarHBondContact NE-OD1 3.23Å; R45-D61 IonicContact NE-OD2 3.18Å; R45-D61 IonicContact NH2-OD1 3.79Å; R45-D61 PolarHBondContact NH2-OD1 3.4Å; R45-D61 IonicContact NH2-OD2 3.18Å; R45-D61 PolarHBondContact NH2-OD2 3.17Å; R59-D61 IonicContact NH2-OD2 3.79Å; R59-D61 PolarHBondContact NH2-OD2 3.02Å; D61-D63 PolarHBondContact O-N 3.33Å; D61-D63 PolarHBondContact OD1-N 2.91Å; D61-A64 HydrophobicContact CB-CB 4.47Å; D61-A64 VanDerWaalsContact O-CB 3.31Å; D61-A64 WeakPolarHBondContact O-CB 3.47Å; D61-A64 PolarHBondContact O-N 3.49Å; D61-A64 VanDerWaalsContact O-N 3.13Å
62	S	98.4	Very high	98	Very high	34 Å²	34	47.3 Å²	47.3	24%	0.238	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-21.4	-178.7	68.6	0	0	0	0	113.5	R45 F46 A64 P67	R45-S62 WeakPolarHBondContact CA-OG 3.4Å; F46-S62 PolarHBondContact N-OG 3.09Å; F46-S62 PolarHBondContact O-N 3.49Å; F46-S62 PolarHBondContact O-OG 3.46Å; S62-A64 VanDerWaalsContact C-N 3.34Å; S62-P67 WeakPolarHBondContact O-CG 2.94Å
63	D	97.8	Very high	97.9	Very high	68 Å²	68	47.5 Å²	47.5	36%	0.364	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-3.6	179.2	-77.7	6.2	0	0	0	112.7	R38 R45 D61	R38-D63 IonicContact CZ-OD1 2.97Å; R38-D63 IonicContact CZ-OD2 3.36Å; R38-D63 IonicContact NH1-OD1 3.71Å; R38-D63 PolarHBondContact NH1-OD1 2.82Å; R38-D63 IonicContact NH1-OD2 2.77Å; R38-D63 PolarHBondContact NH1-OD2 2.87Å; R38-D63 IonicContact NH2-OD1 2.71Å; R38-D63 PolarHBondContact NH2-OD1 3.31Å; R38-D63 IonicContact NH2-OD2 3.17Å; R45-D63 VanDerWaalsContact CD-OD2 3.26Å; R45-D63 WeakPolarHBondContact CD-OD2 3.33Å; R45-D63 HydrophobicContact CG-CB 4.41Å; R45-D63 IonicContact NE-OD2 2.92Å; D61-D63 PolarHBondContact O-N 3.33Å; D61-D63 PolarHBondContact OD1-N 2.91Å
64	A	97.5	Very high	97.9	Very high	33 Å²	33	51.2 Å²	51.2	27%	0.273	29%	0.286	S	S	.	.	S	Bend	trans	-61.5	149.5	173.1	0	0	0	0	0	110.8	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.47Å; D61-A64 VanDerWaalsContact O-CB 3.31Å; D61-A64 WeakPolarHBondContact O-CB 3.47Å; D61-A64 PolarHBondContact O-N 3.49Å; D61-A64 VanDerWaalsContact O-N 3.13Å; S62-A64 VanDerWaalsContact C-N 3.34Å; A64-S66 PolarHBondContact O-N 2.94Å; A64-P67 VanDerWaalsContact O-CD 3.23Å; A64-P67 WeakPolarHBondContact O-CD 3.36Å; A64-P67 VanDerWaalsContact O-CG 3.31Å; A64-P67 WeakPolarHBondContact O-CG 3.03Å
65	A	97.1	Very high	97.9	Very high	116 Å²	116	49 Å²	49	96%	0.959	27%	0.273	S	S	*	.	S	Bend	trans	-59.2	-32.5	-179.7	0	0	0	0	0	112.8
66	S	96.7	Very high	98	Very high	73 Å²	73	48.3 Å²	48.3	51%	0.51	27%	0.269	S	S	.	.	S	Bend	trans	-134.3	88.2	172	-176.4	0	0	0	0	108.6	A64 R68	A64-S66 PolarHBondContact O-N 2.94Å; S66-R68 PolarHBondContact O-N 2.94Å; S66-R68 VanDerWaalsContact O-N 3.11Å
67	P	97.6	Very high	97.9	Very high	32 Å²	32	52 Å²	52	21%	0.208	29%	0.285	C	S	.	.			trans	-62	115.7	-175	-24.8	35.5	0	0	0	111.7	F60 S62 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.46Å; F60-P67 HydrophobicContact CE2-CB 3.71Å; F60-P67 HydrophobicContact CZ-CB 3.62Å; S62-P67 WeakPolarHBondContact O-CG 2.94Å; A64-P67 VanDerWaalsContact O-CD 3.23Å; A64-P67 WeakPolarHBondContact O-CD 3.36Å; A64-P67 VanDerWaalsContact O-CG 3.31Å; A64-P67 WeakPolarHBondContact O-CG 3.03Å; P67-K92 WeakPolarHBondContact O-CE 3.11Å; P67-K92 PolarHBondContact O-NZ 3.45Å
68	R	98.3	Very high	97.8	Very high	139 Å²	139	57.7 Å²	57.7	53%	0.525	31%	0.311	S	S	.	.			trans	-145.3	156.2	178	-68.4	-168.8	170.8	178	-6.8	109.9	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.46Å; S66-R68 PolarHBondContact O-N 2.94Å; S66-R68 VanDerWaalsContact O-N 3.11Å; R68-E70 PolarHBondContact O-N 2.96Å; R68-T88 HydrophobicContact CB-CG2 4.36Å; R68-T88 HydrophobicContact CG-CG2 4.14Å
69	E	98.5	Very high	97.8	Very high	9 Å²	9	58.3 Å²	58.3	4%	0.042	31%	0.314	C	S	.	.			trans	-69.1	124.3	167.7	-167.1	75.1	171.8	0	0	107.8	V58 F60 W84 E87 T88 C91	V58-E69 HydrophobicContact CB-CG 4.12Å; V58-E69 WeakPolarHBondContact CB-OE1 3.19Å; V58-E69 HydrophobicContact CG1-CG 4.2Å; V58-E69 WeakPolarHBondContact CG2-OE1 3.34Å; F60-E69 WeakPolarHBondContact CB-OE2 3.49Å; E69-W84 HydrophobicContact CB-CE3 4.22Å; E69-W84 HydrophobicContact CG-CE3 4.24Å; E69-W84 HydrophobicContact CG-CZ3 4.09Å; E69-E87 HydrophobicContact CB-CB 4.08Å; E69-E87 HydrophobicContact CG-CB 3.98Å; E69-T88 PolarHBondContact N-OG1 3.41Å; E69-C91 PolarHBondContact OE2-SG 2.92Å
70	E	98.4	Very high	97.7	Very high	72 Å²	72	55.8 Å²	55.8	34%	0.336	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	138.7	-175.6	-65.9	-179.4	178	0	0	111	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.5Å; R59-E70 PolarHBondContact N-O 3Å; R59-E70 PolarHBondContact O-N 2.97Å; R68-E70 PolarHBondContact O-N 2.96Å; E70-R72 IonicContact OE2-CZ 2.99Å; E70-R72 IonicContact OE2-NH1 3.37Å; E70-R72 PolarHBondContact OE2-NH1 2.79Å; E70-R72 IonicContact OE2-NH2 3.68Å; E70-R72 PolarHBondContact OE2-NH2 2.03Å
71	P	98.4	Very high	97.6	Very high	45 Å²	45	60.3 Å²	60.3	29%	0.292	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	146.9	173.9	28	-34	0	0	0	111.3	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.72Å; P71-E77 HydrophobicContact CB-CG 3.82Å; P71-E77 HydrophobicContact CG-CG 4.12Å; P71-W84 HydrophobicContact CB-CH2 3.61Å; P71-W84 HydrophobicContact CB-CZ2 4.03Å; P71-W84 HydrophobicContact CB-CZ3 4.44Å; P71-W84 HydrophobicContact CG-CH2 4.18Å; P71-W84 HydrophobicContact CG-CZ2 4.38Å
72	R	97.9	Very high	97.6	Very high	106 Å²	106	67.5 Å²	67.5	40%	0.4	38%	0.379	S	S	.	.			trans	-132.1	-1.6	174.4	-63.1	-64.6	-179.5	-115.3	2.6	113.5	L56 F57 R59 E70	L56-R72 HydrophobicContact CD2-CB 3.89Å; L56-R72 HydrophobicContact CD2-CG 3.85Å; L56-R72 HydrophobicContact CG-CB 3.76Å; L56-R72 HydrophobicContact CG-CG 4.05Å; F57-R72 PolarHBondContact O-N 2.79Å; R59-R72 HydrophobicContact CB-CG 4.06Å; E70-R72 IonicContact OE2-CZ 2.99Å; E70-R72 IonicContact OE2-NH1 3.37Å; E70-R72 PolarHBondContact OE2-NH1 2.79Å; E70-R72 IonicContact OE2-NH2 3.68Å; E70-R72 PolarHBondContact OE2-NH2 2.03Å
73	A	96.9	Very high	97.6	Very high	4 Å²	4	66.2 Å²	66.2	3%	0.033	37%	0.369	C	S	.	.	S	Bend	trans	-134.4	144.3	172.7	0	0	0	0	0	110.9	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.05Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 4Å; A73-W75 PolarHBondContact O-N 3.32Å; A73-I76 WeakPolarHBondContact O-CG2 3.46Å; A73-I76 PolarHBondContact O-N 3.29Å
74	P	97.3	Very high	97.6	Very high	106 Å²	106	65 Å²	65	69%	0.688	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-59.2	-35.8	-177.9	-26.3	34.8	0	0	0	114	I76 E77	P74-I76 VanDerWaalsContact C-N 3.26Å; P74-I76 PolarHBondContact O-N 2.8Å; P74-E77 WeakPolarHBondContact O-CB 3.41Å; P74-E77 PolarHBondContact O-N 2.81Å
75	W	97	Very high	97.7	Very high	17 Å²	17	67.8 Å²	67.8	6%	0.064	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-71.8	-15.3	-175.8	53.6	-106.1	0	0	0	114.2	V52 F57 A73 Q78 Y195 L203	V52-W75 HydrophobicContact CB-CH2 4.44Å; V52-W75 HydrophobicContact CB-CZ2 4.48Å; V52-W75 HydrophobicContact CG2-CH2 3.88Å; V52-W75 HydrophobicContact CG2-CZ2 4.4Å; F57-W75 HydrophobicContact CB-CH2 3.16Å; F57-W75 HydrophobicContact CB-CZ2 3.32Å; F57-W75 HydrophobicContact CB-CZ3 4.03Å; F57-W75 HydrophobicContact CD1-CH2 4.04Å; F57-W75 AromaticContact CD2-CH2 3.67Å; F57-W75 HydrophobicContact CD2-CH2 3.67Å; F57-W75 AromaticContact CD2-CZ3 3.98Å; F57-W75 HydrophobicContact CD2-CZ3 3.98Å; F57-W75 AromaticContact CG-CH2 3.38Å; F57-W75 HydrophobicContact CG-CH2 3.38Å; F57-W75 HydrophobicContact CG-CZ2 4.03Å; F57-W75 HydrophobicContact CG-CZ3 4.16Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 4Å; A73-W75 PolarHBondContact O-N 3.32Å; W75-Q78 WeakPolarHBondContact O-CG 3.29Å; W75-Q78 PolarHBondContact O-NE2 2.82Å; W75-Y195 HydrophobicContact CE3-CD1 4.44Å; W75-Y195 HydrophobicContact CH2-CG 4.18Å; W75-Y195 AromaticContact CZ3-CD1 3.76Å; W75-Y195 HydrophobicContact CZ3-CD1 3.76Å; W75-Y195 HydrophobicContact CZ3-CD2 4.3Å; W75-Y195 AromaticContact CZ3-CG 3.64Å; W75-Y195 HydrophobicContact CZ3-CG 3.64Å; W75-L203 HydrophobicContact CD2-CD1 4.4Å; W75-L203 HydrophobicContact CH2-CD1 4.36Å; W75-L203 HydrophobicContact CZ2-CD1 3.83Å; W75-L203 HydrophobicContact CZ2-CD2 4.15Å; W75-L203 HydrophobicContact CZ2-CG 4.41Å
76	I	98.1	Very high	97.7	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-89	-19.8	174.1	-163.3	71.9	0	0	0	111.7	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.37Å; F57-I76 HydrophobicContact CD2-CD1 3.99Å; F57-I76 HydrophobicContact CD2-CG1 4.01Å; F57-I76 HydrophobicContact CE2-CD1 4.25Å; F57-I76 VanDerWaalsContact O-CG2 3.29Å; F57-I76 WeakPolarHBondContact O-CG2 3.48Å; V58-I76 HydrophobicContact CG1-CG1 4.25Å; P71-I76 HydrophobicContact CB-CG2 3.72Å; A73-I76 WeakPolarHBondContact O-CG2 3.46Å; A73-I76 PolarHBondContact O-N 3.29Å; P74-I76 VanDerWaalsContact C-N 3.26Å; P74-I76 PolarHBondContact O-N 2.8Å; I76-Q78 PolarHBondContact O-N 2.9Å; I76-Q78 VanDerWaalsContact O-N 3.1Å; I76-E79 HydrophobicContact CD1-CG 3.67Å; I76-E79 HydrophobicContact CG1-CG 4.19Å; I76-E79 WeakPolarHBondContact O-CB 3.44Å; I76-E79 WeakPolarHBondContact O-CG 3.3Å; I76-E79 PolarHBondContact O-N 2.83Å; I76-Y83 HydrophobicContact CD1-CE1 4.3Å; I76-Y83 HydrophobicContact CG1-CE1 4.29Å; I76-W84 HydrophobicContact CB-CH2 4.49Å; I76-W84 HydrophobicContact CG1-CH2 3.81Å; I76-W84 HydrophobicContact CG1-CZ2 4.12Å; I76-W84 HydrophobicContact CG2-CH2 4.02Å; I76-W84 HydrophobicContact CG2-CZ2 4.47Å; I76-W84 WeakPolarHBondContact O-CZ2 3.3Å; I76-Y195 HydrophobicContact CD1-CD1 3.83Å; I76-Y195 HydrophobicContact CD1-CE1 3.32Å
77	E	97.1	Very high	97.8	Very high	127 Å²	127	65.2 Å²	65.2	59%	0.593	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.2	-177.5	-65.2	179.9	-171.6	0	0	113.5	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.82Å; P71-E77 HydrophobicContact CG-CG 4.12Å; P74-E77 WeakPolarHBondContact O-CB 3.41Å; P74-E77 PolarHBondContact O-N 2.81Å; E77-E79 PolarHBondContact O-N 3.16Å
78	Q	96.3	Very high	97.9	Very high	118 Å²	118	63.9 Å²	63.9	55%	0.551	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-13.6	176.2	71.2	-173	-40.6	0	0	114	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.29Å; W75-Q78 PolarHBondContact O-NE2 2.82Å; I76-Q78 PolarHBondContact O-N 2.9Å; I76-Q78 VanDerWaalsContact O-N 3.1Å; Q78-N198 PolarHBondContact NE2-ND2 3.01Å
79	E	97.8	Very high	97.9	Very high	13 Å²	13	63 Å²	63	6%	0.061	32%	0.318	C	S	.	.	S	Bend	trans	-64.4	137.7	176.8	-66.4	-59.6	159.5	0	0	110.9	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.67Å; I76-E79 HydrophobicContact CG1-CG 4.19Å; I76-E79 WeakPolarHBondContact O-CB 3.44Å; I76-E79 WeakPolarHBondContact O-CG 3.3Å; I76-E79 PolarHBondContact O-N 2.83Å; E77-E79 PolarHBondContact O-N 3.16Å; E79-Y83 HydrophobicContact CB-CD1 3.69Å; E79-Y83 HydrophobicContact CB-CE1 4.35Å; E79-Y83 HydrophobicContact CB-CG 3.79Å; E79-Y83 HydrophobicContact CG-CD1 4.16Å; E79-Y83 HydrophobicContact CG-CD2 4.43Å; E79-Y83 HydrophobicContact CG-CE1 4.43Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; E79-W84 HydrophobicContact CB-CZ2 4.47Å; E79-W84 PolarHBondContact O-NE1 2.88Å; E79-R194 IonicContact OE1-CZ 3.89Å; E79-R194 IonicContact OE1-NE 3.79Å; E79-R194 PolarHBondContact OE1-NE 3.35Å; E79-R194 IonicContact OE1-NH2 3.81Å; E79-R194 PolarHBondContact OE1-NH2 2.84Å; E79-R194 VanDerWaalsContact OE1-NH2 3.16Å; E79-R194 IonicContact OE2-CZ 2.97Å; E79-R194 IonicContact OE2-NE 3.56Å; E79-R194 IonicContact OE2-NH2 3.75Å; E79-R194 PolarHBondContact OE2-NH2 3.39Å; E79-N198 PolarHBondContact OE1-ND2 3.05Å
80	G	97.3	Very high	97.8	Very high	36 Å²	36	66 Å²	66	37%	0.371	33%	0.333	S	S	.	.			trans	-69.3	167.3	-175.2	0	0	0	0	0	113.6	E82 Y83 W84	G80-E82 PolarHBondContact O-N 3.1Å; G80-E82 VanDerWaalsContact O-N 3.14Å; G80-Y83 WeakPolarHBondContact O-CB 3.47Å; G80-Y83 PolarHBondContact O-N 2.76Å; G80-W84 VanDerWaalsContact O-CD1 3.27Å
81	P	97.8	Very high	97.8	Very high	101 Å²	101	63 Å²	63	66%	0.656	32%	0.32	S	S	*	.	H	α-helix	trans	-57.5	-32	-179.1	23.2	-33.8	0	0	0	113.4	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 2.73Å; P81-W84 PolarHBondContact O-N 3.48Å; P81-D85 WeakPolarHBondContact O-CB 3.29Å; P81-D85 PolarHBondContact O-N 2.92Å
82	E	97.9	Very high	97.8	Very high	168 Å²	168	64.6 Å²	64.6	79%	0.785	32%	0.323	S	S	*	.	H	α-helix	trans	-61.1	-36.2	177.5	-63.3	-178.9	-178.9	0	0	112.9	G80 R86	G80-E82 PolarHBondContact O-N 3.1Å; G80-E82 VanDerWaalsContact O-N 3.14Å; E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.43Å; E82-R86 PolarHBondContact O-N 2.85Å
83	Y	98.1	Very high	97.8	Very high	8 Å²	8	62.3 Å²	62.3	3%	0.031	33%	0.326	C	S	.	.	H	α-helix	trans	-63.2	-54.9	174.3	172.6	-91.6	0	0	0	109.8	I76 E79 G80 P81 D85 R86 E87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.3Å; I76-Y83 HydrophobicContact CG1-CE1 4.29Å; E79-Y83 HydrophobicContact CB-CD1 3.69Å; E79-Y83 HydrophobicContact CB-CE1 4.35Å; E79-Y83 HydrophobicContact CB-CG 3.79Å; E79-Y83 HydrophobicContact CG-CD1 4.16Å; E79-Y83 HydrophobicContact CG-CD2 4.43Å; E79-Y83 HydrophobicContact CG-CE1 4.43Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; G80-Y83 WeakPolarHBondContact O-CB 3.47Å; G80-Y83 PolarHBondContact O-N 2.76Å; P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 2.73Å; Y83-D85 VanDerWaalsContact C-N 3.33Å; Y83-D85 PolarHBondContact O-N 2.72Å; Y83-R86 PolarHBondContact O-N 2.66Å; Y83-R86 VanDerWaalsContact O-N 3.16Å; Y83-E87 HydrophobicContact CD1-CG 4.22Å; Y83-E87 HydrophobicContact CD2-CG 4.09Å; Y83-E87 HydrophobicContact CE1-CG 3.88Å; Y83-E87 HydrophobicContact CE2-CG 3.75Å; Y83-E87 HydrophobicContact CG-CG 4.31Å; Y83-E87 WeakPolarHBondContact O-CG 3.27Å; Y83-E87 PolarHBondContact O-N 3.2Å; Y83-W191 AromaticContact CD2-CH2 3.75Å; Y83-W191 HydrophobicContact CD2-CH2 3.75Å; Y83-W191 HydrophobicContact CD2-CZ2 4.4Å; Y83-W191 AromaticContact CD2-CZ3 3.99Å; Y83-W191 HydrophobicContact CD2-CZ3 3.99Å; Y83-W191 HydrophobicContact CE2-CE3 4.43Å; Y83-W191 HydrophobicContact CE2-CH2 4.08Å; Y83-W191 AromaticContact CE2-CZ3 3.97Å; Y83-W191 HydrophobicContact CE2-CZ3 3.97Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.25Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.49Å; Y83-Y195 PolarHBondContact OH-OH 3.35Å
84	W	98.5	Very high	97.9	Very high	43 Å²	43	66 Å²	66	16%	0.163	34%	0.342	C	S	.	.	H	α-helix	trans	-61.2	-40	-177.3	-62.4	110.7	0	0	0	113	V58 E69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.14Å; V58-W84 HydrophobicContact CG1-CZ3 3.96Å; E69-W84 HydrophobicContact CB-CE3 4.22Å; E69-W84 HydrophobicContact CG-CE3 4.24Å; E69-W84 HydrophobicContact CG-CZ3 4.09Å; P71-W84 HydrophobicContact CB-CH2 3.61Å; P71-W84 HydrophobicContact CB-CZ2 4.03Å; P71-W84 HydrophobicContact CB-CZ3 4.44Å; P71-W84 HydrophobicContact CG-CH2 4.18Å; P71-W84 HydrophobicContact CG-CZ2 4.38Å; I76-W84 HydrophobicContact CB-CH2 4.49Å; I76-W84 HydrophobicContact CG1-CH2 3.81Å; I76-W84 HydrophobicContact CG1-CZ2 4.12Å; I76-W84 HydrophobicContact CG2-CH2 4.02Å; I76-W84 HydrophobicContact CG2-CZ2 4.47Å; I76-W84 WeakPolarHBondContact O-CZ2 3.3Å; E79-W84 HydrophobicContact CB-CZ2 4.47Å; E79-W84 PolarHBondContact O-NE1 2.88Å; G80-W84 VanDerWaalsContact O-CD1 3.27Å; P81-W84 PolarHBondContact O-N 3.48Å; W84-T88 WeakPolarHBondContact O-CB 3.39Å; W84-T88 PolarHBondContact O-N 3Å; W84-T88 PolarHBondContact O-OG1 2.76Å
85	D	98.4	Very high	97.9	Very high	91 Å²	91	61.8 Å²	61.8	49%	0.487	32%	0.315	S	S	.	.	H	α-helix	trans	-65.9	-45.8	176.1	-77.8	-23.8	0	0	0	110.9	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.29Å; P81-D85 PolarHBondContact O-N 2.92Å; Y83-D85 VanDerWaalsContact C-N 3.33Å; Y83-D85 PolarHBondContact O-N 2.72Å; D85-T88 PolarHBondContact O-N 3.23Å; D85-Q89 WeakPolarHBondContact O-CG 3.45Å; D85-Q89 PolarHBondContact O-N 3.17Å
86	R	98.1	Very high	98	Very high	109 Å²	109	65.6 Å²	65.6	41%	0.411	33%	0.334	S	S	.	.	H	α-helix	trans	-62.3	-51.8	178.3	-173.9	-175.8	68.1	-152.7	-3.2	111.9	E82 Y83 T88 Q89 I90	E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.43Å; E82-R86 PolarHBondContact O-N 2.85Å; Y83-R86 PolarHBondContact O-N 2.66Å; Y83-R86 VanDerWaalsContact O-N 3.16Å; R86-T88 VanDerWaalsContact C-N 3.29Å; R86-T88 PolarHBondContact O-N 2.77Å; R86-Q89 PolarHBondContact O-N 2.75Å; R86-Q89 VanDerWaalsContact O-N 3.1Å; R86-I90 HydrophobicContact CG-CD1 4.05Å; R86-I90 WeakPolarHBondContact O-CG1 3.39Å; R86-I90 PolarHBondContact O-N 2.85Å
87	E	98.3	Very high	97.9	Very high	25 Å²	25	68.8 Å²	68.8	12%	0.117	35%	0.353	C	S	.	.	H	α-helix	trans	-63.1	-37.3	-179.5	-61.3	-41.2	126.2	0	0	111.3	E69 Y83 Q89 I90 C91	E69-E87 HydrophobicContact CB-CB 4.08Å; E69-E87 HydrophobicContact CG-CB 3.98Å; Y83-E87 HydrophobicContact CD1-CG 4.22Å; Y83-E87 HydrophobicContact CD2-CG 4.09Å; Y83-E87 HydrophobicContact CE1-CG 3.88Å; Y83-E87 HydrophobicContact CE2-CG 3.75Å; Y83-E87 HydrophobicContact CG-CG 4.31Å; Y83-E87 WeakPolarHBondContact O-CG 3.27Å; Y83-E87 PolarHBondContact O-N 3.2Å; E87-Q89 PolarHBondContact O-N 2.89Å; E87-I90 PolarHBondContact O-N 2.97Å; E87-C91 WeakPolarHBondContact O-CB 3.18Å; E87-C91 PolarHBondContact O-N 3.2Å; E87-C91 PolarHBondContact O-SG 3.03Å
88	T	98.6	Very high	98	Very high	5 Å²	5	63.4 Å²	63.4	3%	0.031	33%	0.328	C	S	.	.	H	α-helix	trans	-60.6	-44	172.7	-67.8	0	0	0	0	112.1	R68 E69 W84 D85 R86 C91 K92	R68-T88 HydrophobicContact CB-CG2 4.36Å; R68-T88 HydrophobicContact CG-CG2 4.14Å; E69-T88 PolarHBondContact N-OG1 3.41Å; W84-T88 WeakPolarHBondContact O-CB 3.39Å; W84-T88 PolarHBondContact O-N 3Å; W84-T88 PolarHBondContact O-OG1 2.76Å; D85-T88 PolarHBondContact O-N 3.23Å; R86-T88 VanDerWaalsContact C-N 3.29Å; R86-T88 PolarHBondContact O-N 2.77Å; T88-C91 PolarHBondContact O-N 3.22Å; T88-K92 HydrophobicContact CG2-CD 4.15Å; T88-K92 WeakPolarHBondContact O-CG 3.2Å; T88-K92 PolarHBondContact O-N 3.38Å
89	Q	98.4	Very high	98	Very high	120 Å²	120	60.5 Å²	60.5	56%	0.561	31%	0.312	S	S	*	.	H	α-helix	trans	-66.2	-40.2	178.1	-67.9	-56.1	-28.9	0	0	111.6	D85 R86 E87 C91 K92 A93	D85-Q89 WeakPolarHBondContact O-CG 3.45Å; D85-Q89 PolarHBondContact O-N 3.17Å; R86-Q89 PolarHBondContact O-N 2.75Å; R86-Q89 VanDerWaalsContact O-N 3.1Å; E87-Q89 PolarHBondContact O-N 2.89Å; Q89-C91 PolarHBondContact O-N 3.31Å; Q89-K92 PolarHBondContact O-N 3.16Å; Q89-A93 WeakPolarHBondContact O-CB 3.41Å; Q89-A93 PolarHBondContact O-N 2.79Å
90	I	97.9	Very high	98	Very high	72 Å²	72	65.8 Å²	65.8	37%	0.369	34%	0.336	S	S	.	.	H	α-helix	trans	-58.6	-48.7	174.6	-68.7	167.3	0	0	0	110.1	R86 E87 K92 A93 K94	R86-I90 HydrophobicContact CG-CD1 4.05Å; R86-I90 WeakPolarHBondContact O-CG1 3.39Å; R86-I90 PolarHBondContact O-N 2.85Å; E87-I90 PolarHBondContact O-N 2.97Å; I90-K92 VanDerWaalsContact C-N 3.35Å; I90-K92 PolarHBondContact O-N 3.24Å; I90-A93 PolarHBondContact O-N 3.25Å; I90-K94 HydrophobicContact CG2-CG 4.41Å; I90-K94 WeakPolarHBondContact O-CG 3.41Å; I90-K94 PolarHBondContact O-N 3.5Å
91	C	98.4	Very high	98.1	Very high	8 Å²	8	66.1 Å²	66.1	5%	0.054	33%	0.333	C	S	.	.	H	α-helix	trans	-60.8	-41.7	178.8	-68.2	0	0	0	0	112.5	T48 F60 E69 E87 T88 Q89 K94 A95	T48-C91 HydrophobicContact CG2-CB 4.43Å; F60-C91 HydrophobicContact CB-CB 4.17Å; F60-C91 HydrophobicContact CD1-CB 3.95Å; F60-C91 HydrophobicContact CD2-CB 3.53Å; F60-C91 HydrophobicContact CE1-CB 4.22Å; F60-C91 HydrophobicContact CE2-CB 3.82Å; F60-C91 HydrophobicContact CG-CB 3.64Å; F60-C91 HydrophobicContact CZ-CB 4.16Å; E69-C91 PolarHBondContact OE2-SG 2.92Å; E87-C91 WeakPolarHBondContact O-CB 3.18Å; E87-C91 PolarHBondContact O-N 3.2Å; E87-C91 PolarHBondContact O-SG 3.03Å; T88-C91 PolarHBondContact O-N 3.22Å; Q89-C91 PolarHBondContact O-N 3.31Å; C91-K94 PolarHBondContact O-N 3.42Å; C91-A95 PolarHBondContact O-N 2.64Å
92	K	98.3	Very high	98.1	Very high	80 Å²	80	61.6 Å²	61.6	35%	0.348	30%	0.303	S	S	.	.	H	α-helix	trans	-64.6	-41.8	175.6	-74.6	175.9	178.6	174	0	112.5	F60 P67 T88 Q89 I90 A95 Q96	F60-K92 HydrophobicContact CE2-CG 4.02Å; F60-K92 HydrophobicContact CZ-CG 3.97Å; P67-K92 WeakPolarHBondContact O-CE 3.11Å; P67-K92 PolarHBondContact O-NZ 3.45Å; T88-K92 HydrophobicContact CG2-CD 4.15Å; T88-K92 WeakPolarHBondContact O-CG 3.2Å; T88-K92 PolarHBondContact O-N 3.38Å; Q89-K92 PolarHBondContact O-N 3.16Å; I90-K92 VanDerWaalsContact C-N 3.35Å; I90-K92 PolarHBondContact O-N 3.24Å; K92-A95 PolarHBondContact O-N 2.93Å; K92-Q96 PolarHBondContact O-N 3.37Å
93	A	98.3	Very high	98	Very high	57 Å²	57	59.5 Å²	59.5	47%	0.471	29%	0.288	S	S	.	.	H	α-helix	trans	-65.6	-40.9	176.1	0	0	0	0	0	111.8	Q89 I90 Q96 T97	Q89-A93 WeakPolarHBondContact O-CB 3.41Å; Q89-A93 PolarHBondContact O-N 2.79Å; I90-A93 PolarHBondContact O-N 3.25Å; A93-Q96 PolarHBondContact O-N 2.88Å; A93-T97 PolarHBondContact O-N 3.16Å; A93-T97 PolarHBondContact O-OG1 3.39Å
94	K	97.9	Very high	98	Very high	83 Å²	83	60.6 Å²	60.6	36%	0.361	30%	0.296	S	S	.	.	H	α-helix	trans	-63.5	-42.3	174	-72.1	-67.1	-175.4	178.3	0	111.6	F46 I90 C91 Q96 T97 Y98	F46-K94 HydrophobicContact CE1-CB 4.38Å; F46-K94 HydrophobicContact CE2-CB 4.37Å; F46-K94 HydrophobicContact CZ-CB 3.83Å; I90-K94 HydrophobicContact CG2-CG 4.41Å; I90-K94 WeakPolarHBondContact O-CG 3.41Å; I90-K94 PolarHBondContact O-N 3.5Å; C91-K94 PolarHBondContact O-N 3.42Å; K94-Q96 VanDerWaalsContact C-N 3.28Å; K94-Q96 PolarHBondContact O-N 2.95Å; K94-T97 WeakPolarHBondContact O-CB 3.37Å; K94-T97 PolarHBondContact O-N 3.02Å; K94-T97 VanDerWaalsContact O-N 3.07Å; K94-Y98 HydrophobicContact CD-CE2 4.36Å; K94-Y98 WeakPolarHBondContact O-CD2 3.33Å; K94-Y98 PolarHBondContact O-N 3.44Å
95	A	97.9	Very high	98	Very high	16 Å²	16	58.9 Å²	58.9	13%	0.132	29%	0.29	C	S	.	.	H	α-helix	trans	-55.7	-41.5	175.2	0	0	0	0	0	112.6	F46 C91 K92 R99	F46-A95 HydrophobicContact CB-CB 3.75Å; F46-A95 HydrophobicContact CD1-CB 3.83Å; F46-A95 HydrophobicContact CD2-CB 4.42Å; F46-A95 HydrophobicContact CG-CB 3.75Å; C91-A95 PolarHBondContact O-N 2.64Å; K92-A95 PolarHBondContact O-N 2.93Å; A95-R99 WeakPolarHBondContact O-CB 3.18Å; A95-R99 PolarHBondContact O-N 3.41Å; A95-R99 VanDerWaalsContact O-N 3.12Å
96	Q	97.8	Very high	97.9	Very high	98 Å²	98	55.9 Å²	55.9	46%	0.458	27%	0.274	S	S	.	.	H	α-helix	trans	-67.9	-43.2	174.4	-61.8	-52.5	-42.1	0	0	112.4	K92 A93 K94 Y98 R99 E100	K92-Q96 PolarHBondContact O-N 3.37Å; A93-Q96 PolarHBondContact O-N 2.88Å; K94-Q96 VanDerWaalsContact C-N 3.28Å; K94-Q96 PolarHBondContact O-N 2.95Å; Q96-Y98 VanDerWaalsContact C-N 3.3Å; Q96-Y98 PolarHBondContact O-N 3.35Å; Q96-R99 WeakPolarHBondContact O-CB 3.19Å; Q96-R99 PolarHBondContact O-N 2.9Å; Q96-E100 PolarHBondContact O-N 2.63Å; Q96-E100 VanDerWaalsContact O-N 3.07Å
97	T	97.6	Very high	97.9	Very high	67 Å²	67	58.7 Å²	58.7	41%	0.411	28%	0.284	S	S	.	.	H	α-helix	trans	-58.3	-43.9	176.8	-55.1	0	0	0	0	111.1	A93 K94 R99 E100 S101	A93-T97 PolarHBondContact O-N 3.16Å; A93-T97 PolarHBondContact O-OG1 3.39Å; K94-T97 WeakPolarHBondContact O-CB 3.37Å; K94-T97 PolarHBondContact O-N 3.02Å; K94-T97 VanDerWaalsContact O-N 3.07Å; T97-R99 PolarHBondContact O-N 2.95Å; T97-E100 PolarHBondContact O-N 3.03Å; T97-S101 WeakPolarHBondContact O-CB 3.34Å; T97-S101 PolarHBondContact O-N 2.88Å; T97-S101 PolarHBondContact O-OG 2.77Å; T97-S101 VanDerWaalsContact O-OG 3.11Å
98	Y	97.8	Very high	97.9	Very high	13 Å²	13	59.8 Å²	59.8	5%	0.051	29%	0.288	C	S	.	.	H	α-helix	trans	-68.1	-36.8	-179.5	-85.2	-117.8	0	0	0	112.1	H33 F46 K94 Q96 E100 S101 L102 L119 N121	H33-Y98 HydrophobicContact CB-CE1 3.92Å; H33-Y98 AromaticContact ND1-CZ 3.9Å; H33-Y98 PolarHBondContact ND1-OH 3.43Å; H33-Y98 VanDerWaalsContact ND1-OH 3.13Å; F46-Y98 HydrophobicContact CD2-CD1 4.32Å; F46-Y98 HydrophobicContact CD2-CG 4.11Å; F46-Y98 HydrophobicContact CE2-CD1 4.07Å; F46-Y98 AromaticContact CE2-CD2 3.95Å; F46-Y98 HydrophobicContact CE2-CD2 3.95Å; F46-Y98 HydrophobicContact CE2-CE1 4.29Å; F46-Y98 HydrophobicContact CE2-CE2 4.2Å; F46-Y98 AromaticContact CE2-CG 3.87Å; F46-Y98 HydrophobicContact CE2-CG 3.87Å; K94-Y98 HydrophobicContact CD-CE2 4.36Å; K94-Y98 WeakPolarHBondContact O-CD2 3.33Å; K94-Y98 PolarHBondContact O-N 3.44Å; Q96-Y98 VanDerWaalsContact C-N 3.3Å; Q96-Y98 PolarHBondContact O-N 3.35Å; Y98-E100 VanDerWaalsContact C-N 3.33Å; Y98-E100 PolarHBondContact O-N 2.99Å; Y98-S101 PolarHBondContact O-N 2.83Å; Y98-L102 WeakPolarHBondContact O-CB 3.32Å; Y98-L102 WeakPolarHBondContact O-CG 3.39Å; Y98-L102 PolarHBondContact O-N 3.26Å; Y98-L119 HydrophobicContact CD1-CB 4.27Å; Y98-L119 HydrophobicContact CD1-CD2 3.61Å; Y98-L119 HydrophobicContact CD1-CG 3.78Å; Y98-L119 HydrophobicContact CE1-CD2 4.04Å; Y98-L119 HydrophobicContact CE1-CG 3.9Å; Y98-L119 HydrophobicContact CG-CD2 4.15Å; Y98-N121 HydrophobicContact CE1-CB 4.3Å; Y98-N121 WeakPolarHBondContact OH-CB 3.4Å; Y98-N121 VanDerWaalsContact OH-CG 3.27Å; Y98-N121 PolarHBondContact OH-OD1 2.96Å
99	R	97.6	Very high	97.8	Very high	58 Å²	58	62.8 Å²	62.8	22%	0.219	30%	0.299	C	S	.	.	H	α-helix	trans	-59	-44.8	172.1	174.1	-170.5	176.6	-174.9	6.8	111.6	E43 P44 A95 Q96 T97 R103	E43-R99 IonicContact OE1-CZ 3.06Å; E43-R99 IonicContact OE1-NE 2.77Å; E43-R99 IonicContact OE1-NH1 2.85Å; E43-R99 IonicContact OE1-NH2 3.67Å; E43-R99 PolarHBondContact OE1-NH2 3.44Å; E43-R99 VanDerWaalsContact OE2-CD 3.28Å; E43-R99 WeakPolarHBondContact OE2-CD 3.46Å; E43-R99 IonicContact OE2-CZ 3.78Å; E43-R99 IonicContact OE2-NE 3.61Å; E43-R99 PolarHBondContact OE2-NE 3.16Å; E43-R99 IonicContact OE2-NH1 3.62Å; E43-R99 IonicContact OE2-NH2 3.57Å; E43-R99 PolarHBondContact OE2-NH2 3.39Å; P44-R99 HydrophobicContact CG-CB 4.36Å; P44-R99 HydrophobicContact CG-CG 4.24Å; A95-R99 WeakPolarHBondContact O-CB 3.18Å; A95-R99 PolarHBondContact O-N 3.41Å; A95-R99 VanDerWaalsContact O-N 3.12Å; Q96-R99 WeakPolarHBondContact O-CB 3.19Å; Q96-R99 PolarHBondContact O-N 2.9Å; T97-R99 PolarHBondContact O-N 2.95Å; R99-R103 VanDerWaalsContact NE-NH2 3.12Å; R99-R103 PolarHBondContact O-N 3.29Å
100	E	97.6	Very high	97.8	Very high	123 Å²	123	64.3 Å²	64.3	58%	0.575	31%	0.311	S	S	*	.	H	α-helix	trans	-68.6	-39.4	176.6	-69	-178.9	-177.6	0	0	112.5	Q96 T97 Y98 R103 T104	Q96-E100 PolarHBondContact O-N 2.63Å; Q96-E100 VanDerWaalsContact O-N 3.07Å; T97-E100 PolarHBondContact O-N 3.03Å; Y98-E100 VanDerWaalsContact C-N 3.33Å; Y98-E100 PolarHBondContact O-N 2.99Å; E100-R103 PolarHBondContact O-N 3.16Å; E100-T104 PolarHBondContact O-N 2.83Å; E100-T104 PolarHBondContact O-OG1 2.97Å
101	S	97.9	Very high	97.7	Very high	44 Å²	44	63.9 Å²	63.9	31%	0.308	31%	0.308	S	S	.	.	H	α-helix	trans	-60.7	-45.6	174.5	-68	0	0	0	0	111.5	T97 Y98 R103 T104 L105	T97-S101 WeakPolarHBondContact O-CB 3.34Å; T97-S101 PolarHBondContact O-N 2.88Å; T97-S101 PolarHBondContact O-OG 2.77Å; T97-S101 VanDerWaalsContact O-OG 3.11Å; Y98-S101 PolarHBondContact O-N 2.83Å; S101-R103 VanDerWaalsContact C-N 3.34Å; S101-R103 PolarHBondContact O-N 2.92Å; S101-T104 CarbonylContact O-C 3.55Å; S101-T104 WeakPolarHBondContact O-CA 3.24Å; S101-T104 WeakPolarHBondContact O-CB 3.44Å; S101-T104 PolarHBondContact O-N 3.07Å; S101-L105 VanDerWaalsContact O-CG 3.28Å; S101-L105 WeakPolarHBondContact O-CG 3.41Å; S101-L105 PolarHBondContact O-N 2.98Å
102	L	98.2	Very high	97.6	Very high	5 Å²	5	67.5 Å²	67.5	3%	0.026	33%	0.333	C	S	.	.	H	α-helix	trans	-57.6	-44.5	176	-77.2	168	0	0	0	112	S35 P44 Y98 T104 L105 L106 H117 L119 Y142	S35-L102 WeakPolarHBondContact OG-CD1 3.44Å; P44-L102 HydrophobicContact CB-CD1 3.76Å; P44-L102 HydrophobicContact CG-CD1 3.88Å; Y98-L102 WeakPolarHBondContact O-CB 3.32Å; Y98-L102 WeakPolarHBondContact O-CG 3.39Å; Y98-L102 PolarHBondContact O-N 3.26Å; L102-T104 VanDerWaalsContact C-N 3.27Å; L102-T104 PolarHBondContact O-N 3.36Å; L102-L105 PolarHBondContact O-N 3.29Å; L102-L106 WeakPolarHBondContact O-CG 3.37Å; L102-L106 PolarHBondContact O-N 2.86Å; L102-H117 HydrophobicContact CD2-CB 4.27Å; L102-L119 HydrophobicContact CD2-CB 3.72Å; L102-L119 HydrophobicContact CG-CB 4.15Å; L102-Y142 HydrophobicContact CD2-CE2 3.99Å
103	R	96.9	Very high	97.3	Very high	124 Å²	124	71.5 Å²	71.5	47%	0.468	35%	0.353	S	S	.	.	H	α-helix	trans	-63.2	-33.6	174.4	-70	174.8	177	161.4	-0.9	112.9	R99 E100 S101 R107	R99-R103 VanDerWaalsContact NE-NH2 3.12Å; R99-R103 PolarHBondContact O-N 3.29Å; E100-R103 PolarHBondContact O-N 3.16Å; S101-R103 VanDerWaalsContact C-N 3.34Å; S101-R103 PolarHBondContact O-N 2.92Å; R103-R107 PolarHBondContact O-NE 2.85Å
104	T	97.8	Very high	97.1	Very high	32 Å²	32	72.8 Å²	72.8	20%	0.196	36%	0.363	C	S	.	.	H	α-helix	trans	-73.9	-42.8	178.5	-63.5	0	0	0	0	111.5	E100 S101 L102 R107 Y108	E100-T104 PolarHBondContact O-N 2.83Å; E100-T104 PolarHBondContact O-OG1 2.97Å; S101-T104 CarbonylContact O-C 3.55Å; S101-T104 WeakPolarHBondContact O-CA 3.24Å; S101-T104 WeakPolarHBondContact O-CB 3.44Å; S101-T104 PolarHBondContact O-N 3.07Å; L102-T104 VanDerWaalsContact C-N 3.27Å; L102-T104 PolarHBondContact O-N 3.36Å; T104-R107 WeakPolarHBondContact O-CB 3.49Å; T104-R107 PolarHBondContact O-N 3.46Å; T104-R107 VanDerWaalsContact O-N 3.13Å; T104-R107 PolarHBondContact OG1-NH2 3.06Å; T104-R107 VanDerWaalsContact OG1-NH2 3.09Å; T104-Y108 HydrophobicContact CG2-CD1 4.22Å; T104-Y108 HydrophobicContact CG2-CD2 4.34Å; T104-Y108 HydrophobicContact CG2-CE1 3.63Å; T104-Y108 HydrophobicContact CG2-CE2 3.77Å; T104-Y108 PolarHBondContact O-N 3Å
105	L	98.1	Very high	96.9	Very high	6 Å²	6	70 Å²	70	3%	0.031	36%	0.359	C	S	.	.	H	α-helix	trans	-63	-42.5	177.8	-69.1	164.5	0	0	0	111.4	S101 L102 R107 Y108 Y109 L119 Y142 Y147	S101-L105 VanDerWaalsContact O-CG 3.28Å; S101-L105 WeakPolarHBondContact O-CG 3.41Å; S101-L105 PolarHBondContact O-N 2.98Å; L102-L105 PolarHBondContact O-N 3.29Å; L105-R107 PolarHBondContact O-N 2.65Å; L105-Y108 PolarHBondContact O-N 3.2Å; L105-Y109 HydrophobicContact CD2-CE2 4.09Å; L105-Y109 VanDerWaalsContact O-CD2 3.32Å; L105-Y109 WeakPolarHBondContact O-CD2 3.45Å; L105-Y109 PolarHBondContact O-N 3.18Å; L105-L119 HydrophobicContact CD1-CD1 3.89Å; L105-L119 HydrophobicContact CD1-CD2 4.16Å; L105-L119 HydrophobicContact CD1-CG 4.47Å; L105-Y142 HydrophobicContact CB-CD1 4.43Å; L105-Y142 HydrophobicContact CB-CD2 4.28Å; L105-Y142 HydrophobicContact CB-CE1 4.03Å; L105-Y142 HydrophobicContact CB-CE2 3.89Å; L105-Y142 HydrophobicContact CD1-CD2 3.57Å; L105-Y142 HydrophobicContact CD1-CE2 3.87Å; L105-Y142 HydrophobicContact CD1-CG 4.01Å; L105-Y142 HydrophobicContact CG-CD2 4.42Å; L105-Y142 HydrophobicContact CG-CE2 4.48Å; L105-Y147 HydrophobicContact CD2-CD2 4.14Å; L105-Y147 HydrophobicContact CD2-CE1 4.02Å; L105-Y147 HydrophobicContact CD2-CE2 3.46Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.46Å
106	L	97.4	Very high	96.9	Very high	29 Å²	29	73 Å²	73	15%	0.152	38%	0.378	C	S	.	.	H	α-helix	trans	-49.5	-44.6	171.5	-79.1	174.2	0	0	0	112.3	L102 N110 Q111 H117	L102-L106 WeakPolarHBondContact O-CG 3.37Å; L102-L106 PolarHBondContact O-N 2.86Å; L106-N110 PolarHBondContact O-N 2.8Å; L106-Q111 HydrophobicContact CD2-CB 3.65Å; L106-Q111 PolarHBondContact O-N 2.83Å; L106-H117 WeakPolarHBondContact CD2-CD2 3.42Å; L106-H117 WeakPolarHBondContact CD2-NE2 3.44Å
107	R	97.4	Very high	96.9	Very high	168 Å²	168	69.1 Å²	69.1	63%	0.634	36%	0.36	S	S	*	.	H	α-helix	trans	-70.9	-42.1	178.9	-67.2	-179.9	-66.9	177.7	0.7	112.3	R103 T104 L105 Y109 N110	R103-R107 PolarHBondContact O-NE 2.85Å; T104-R107 WeakPolarHBondContact O-CB 3.49Å; T104-R107 PolarHBondContact O-N 3.46Å; T104-R107 VanDerWaalsContact O-N 3.13Å; T104-R107 PolarHBondContact OG1-NH2 3.06Å; T104-R107 VanDerWaalsContact OG1-NH2 3.09Å; L105-R107 PolarHBondContact O-N 2.65Å; R107-Y109 VanDerWaalsContact C-N 3.27Å; R107-Y109 PolarHBondContact O-N 3Å; R107-N110 PolarHBondContact O-N 3.49Å
108	Y	97.8	Very high	97	Very high	48 Å²	48	67.6 Å²	67.6	19%	0.188	35%	0.351	C	S	.	.	H	α-helix	trans	-62.6	-37	179.5	-68.9	-5.3	0	0	0	112.1	T104 L105 A163 I166 K170	T104-Y108 HydrophobicContact CG2-CD1 4.22Å; T104-Y108 HydrophobicContact CG2-CD2 4.34Å; T104-Y108 HydrophobicContact CG2-CE1 3.63Å; T104-Y108 HydrophobicContact CG2-CE2 3.77Å; T104-Y108 PolarHBondContact O-N 3Å; L105-Y108 PolarHBondContact O-N 3.2Å; Y108-A163 HydrophobicContact CD2-CB 4.44Å; Y108-I166 HydrophobicContact CD1-CD1 4.22Å; Y108-I166 HydrophobicContact CE1-CD1 4.38Å; Y108-I166 HydrophobicContact CE1-CG2 4.06Å; Y108-I166 HydrophobicContact CE2-CB 4.07Å; Y108-I166 HydrophobicContact CE2-CG2 4.03Å; Y108-I166 HydrophobicContact CG-CD1 4.29Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.38Å; Y108-K170 PolarHBondContact OH-NZ 3.33Å
109	Y	97.8	Very high	97	Very high	67 Å²	67	67.3 Å²	67.3	26%	0.263	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	3.1	180	-69.5	-71.7	0	0	0	114.2	L105 R107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.09Å; L105-Y109 VanDerWaalsContact O-CD2 3.32Å; L105-Y109 WeakPolarHBondContact O-CD2 3.45Å; L105-Y109 PolarHBondContact O-N 3.18Å; R107-Y109 VanDerWaalsContact C-N 3.27Å; R107-Y109 PolarHBondContact O-N 3Å; Y109-Q111 PolarHBondContact O-N 2.94Å; Y109-Y142 AromaticContact CD2-CD1 3.79Å; Y109-Y142 HydrophobicContact CD2-CD1 3.79Å; Y109-Y142 AromaticContact CD2-CE1 3.56Å; Y109-Y142 HydrophobicContact CD2-CE1 3.56Å; Y109-Y142 AromaticContact CE2-CD1 3.54Å; Y109-Y142 HydrophobicContact CE2-CD1 3.54Å; Y109-Y142 AromaticContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CG-CE1 4.42Å; Y109-Y147 HydrophobicContact CE2-CD2 4.39Å; Y109-Y147 HydrophobicContact CE2-CE2 4.07Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.34Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.26Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.46Å; Y109-D161 VanDerWaalsContact OH-CG 3.26Å; Y109-D161 PolarHBondContact OH-OD1 2.85Å; Y109-D161 PolarHBondContact OH-OD2 2.87Å; Y109-A163 HydrophobicContact CD1-CB 4.2Å; Y109-A163 HydrophobicContact CD2-CB 4.42Å; Y109-A163 HydrophobicContact CE1-CB 3.62Å; Y109-A163 HydrophobicContact CE2-CB 3.87Å; Y109-A163 VanDerWaalsContact CZ-CB 3.45Å
110	N	97	Very high	97.1	Very high	153 Å²	153	68.1 Å²	68.1	82%	0.818	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	40.5	-176.3	-56.2	-63.3	0	0	0	113.3	L106 R107	L106-N110 PolarHBondContact O-N 2.8Å; R107-N110 PolarHBondContact O-N 3.49Å
111	Q	96.9	Very high	97.1	Very high	63 Å²	63	62.7 Å²	62.7	29%	0.294	33%	0.331	S	S	.	.			trans	-88.8	155	-177.5	-71.6	166.3	-36.2	0	0	111.9	L106 Y109 H117 Y142	L106-Q111 HydrophobicContact CD2-CB 3.65Å; L106-Q111 PolarHBondContact O-N 2.83Å; Y109-Q111 PolarHBondContact O-N 2.94Å; Q111-H117 PolarHBondContact NE2-CE1 3.46Å; Q111-H117 PolarHBondContact OE1-CE1 2.94Å; Q111-Y142 PolarHBondContact OE1-OH 3.45Å
112	S	94.6	Very high	97.1	Very high	83 Å²	83	61.6 Å²	61.6	58%	0.58	32%	0.322	S	S	*	.			trans	-74.9	142.6	177.7	175.7	0	0	0	0	111.9	A114 G115	S112-A114 PolarHBondContact O-N 2.84Å; S112-A114 PolarHBondContact OG-N 3.18Å; S112-G115 PolarHBondContact O-N 2.9Å
113	E	93.1	Very high	97.2	Very high	165 Å²	165	63 Å²	63	77%	0.771	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-13	174.2	-61.8	-172	169.8	0	0	113.7	P39 G115	P39-E113 VanDerWaalsContact CB-O 3.28Å; P39-E113 WeakPolarHBondContact CB-O 3.16Å; P39-E113 WeakPolarHBondContact CG-O 3.33Å; E113-G115 VanDerWaalsContact C-N 3.3Å
114	A	93.7	Very high	97.3	Very high	83 Å²	83	57.1 Å²	57.1	69%	0.686	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-16.8	176.9	0	0	0	0	0	113.1	S112	S112-A114 PolarHBondContact O-N 2.84Å; S112-A114 PolarHBondContact OG-N 3.18Å
115	G	94.1	Very high	97.3	Very high	26 Å²	26	55.6 Å²	55.6	27%	0.268	30%	0.295	S	S	.	.	S	Bend	trans	-77.7	140.1	-178.4	0	0	0	0	0	113.3	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.44Å; S112-G115 PolarHBondContact O-N 2.9Å; E113-G115 VanDerWaalsContact C-N 3.3Å; G115-H117 PolarHBondContact O-CD2 2.97Å
116	S	97.4	Very high	97.3	Very high	77 Å²	77	56.7 Å²	56.7	54%	0.538	30%	0.301	S	S	.	.			trans	-81.3	132.5	164	-179.4	0	0	0	0	108.7	S37	S37-S116 PolarHBondContact O-OG 3.03Å
117	H	98.4	Very high	97.3	Very high	17 Å²	17	55.3 Å²	55.3	8%	0.079	29%	0.294	C	S	.	.			trans	-131.8	155.7	-177.5	-66.4	-79.1	0	0	0	110.5	V36 S37 L102 L106 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.49Å; S37-H117 PolarHBondContact N-O 3.41Å; S37-H117 PolarHBondContact OG-N 3.33Å; S37-H117 PolarHBondContact OG-O 2.94Å; L102-H117 HydrophobicContact CD2-CB 4.27Å; L106-H117 WeakPolarHBondContact CD2-CD2 3.42Å; L106-H117 WeakPolarHBondContact CD2-NE2 3.44Å; Q111-H117 PolarHBondContact NE2-CE1 3.46Å; Q111-H117 PolarHBondContact OE1-CE1 2.94Å; G115-H117 PolarHBondContact O-CD2 2.97Å; H117-Y142 HydrophobicContact CB-CE2 3.88Å; H117-Y142 WeakPolarHBondContact CB-OH 3.19Å; H117-Y142 VanDerWaalsContact CG-OH 3.24Å; H117-Y142 AromaticContact ND1-CZ 3.85Å; H117-Y142 PolarHBondContact ND1-OH 3.17Å; H117-D143 WeakPolarHBondContact CA-OD1 3.49Å; H117-D143 WeakPolarHBondContact CB-OD1 3.21Å; H117-D143 IonicContact CE1-OD2 3.41Å; H117-D143 IonicContact CG-OD1 3.81Å; H117-D143 IonicContact CG-OD2 2.75Å; H117-D143 IonicContact ND1-OD1 2.77Å; H117-D143 PolarHBondContact ND1-OD1 3.02Å; H117-D143 IonicContact ND1-OD2 2.72Å; H117-D143 PolarHBondContact ND1-OD2 2.79Å
118	T	98.7	Very high	97.2	Very high	36 Å²	36	47.5 Å²	47.5	22%	0.221	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128.6	-175.9	-61.1	0	0	0	0	110.5	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.11Å; S35-T118 WeakPolarHBondContact O-CA 3.18Å; V36-T118 HydrophobicContact CG2-CG2 4.21Å; T118-Q120 HydrophobicContact CG2-CG 3.86Å; T118-Y142 CarbonylContact O-C 3.5Å; T118-Y142 WeakPolarHBondContact O-CA 3.41Å; T118-Y142 VanDerWaalsContact O-CD2 3.26Å; T118-Y142 WeakPolarHBondContact O-CD2 3.49Å; T118-D143 PolarHBondContact N-OD1 3.26Å; T118-D143 PolarHBondContact O-N 2.97Å
119	L	98.8	Very high	97	Very high	7 Å²	7	50.4 Å²	50.4	4%	0.037	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.1	172.1	176.8	61.1	0	0	0	108.5	S35 Y98 L102 L105 A141	S35-L119 PolarHBondContact N-O 3.03Å; S35-L119 PolarHBondContact O-N 3.39Å; Y98-L119 HydrophobicContact CD1-CB 4.27Å; Y98-L119 HydrophobicContact CD1-CD2 3.61Å; Y98-L119 HydrophobicContact CD1-CG 3.78Å; Y98-L119 HydrophobicContact CE1-CD2 4.04Å; Y98-L119 HydrophobicContact CE1-CG 3.9Å; Y98-L119 HydrophobicContact CG-CD2 4.15Å; L102-L119 HydrophobicContact CD2-CB 3.72Å; L102-L119 HydrophobicContact CG-CB 4.15Å; L105-L119 HydrophobicContact CD1-CD1 3.89Å; L105-L119 HydrophobicContact CD1-CD2 4.16Å; L105-L119 HydrophobicContact CD1-CG 4.47Å; L119-A141 WeakPolarHBondContact CD1-O 3.17Å
120	Q	98.8	Very high	96.7	Very high	75 Å²	75	51.8 Å²	51.8	35%	0.35	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	150.9	-179.5	-61.7	174.2	-87.3	0	0	110.1	H33 T34 T118 D140 A141	H33-Q120 VanDerWaalsContact O-CA 3.27Å; H33-Q120 WeakPolarHBondContact O-CA 3.38Å; T34-Q120 HydrophobicContact CG2-CG 4.18Å; T118-Q120 HydrophobicContact CG2-CG 3.86Å; Q120-D140 CarbonylContact O-C 3.51Å; Q120-D140 VanDerWaalsContact O-CA 3.26Å; Q120-D140 WeakPolarHBondContact O-CA 3.37Å; Q120-A141 HydrophobicContact CB-CB 4.39Å; Q120-A141 PolarHBondContact N-O 2.83Å; Q120-A141 PolarHBondContact O-N 2.69Å
121	N	98.6	Very high	96.4	Very high	8 Å²	8	45 Å²	45	4%	0.043	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	140.8	174.8	172.4	-113.1	0	0	0	109.4	F32 H33 Y98 Y123 H138 Q139 D140	F32-N121 WeakPolarHBondContact CA-O 3.4Å; H33-N121 HydrophobicContact CB-CB 4.11Å; H33-N121 PolarHBondContact N-O 2.94Å; H33-N121 PolarHBondContact ND1-OD1 3.35Å; H33-N121 PolarHBondContact O-N 2.62Å; Y98-N121 HydrophobicContact CE1-CB 4.3Å; Y98-N121 WeakPolarHBondContact OH-CB 3.4Å; Y98-N121 VanDerWaalsContact OH-CG 3.27Å; Y98-N121 PolarHBondContact OH-OD1 2.96Å; N121-Y123 WeakPolarHBondContact OD1-CD1 3.33Å; N121-H138 PolarHBondContact ND2-CE1 2.94Å; N121-H138 PolarHBondContact ND2-NE2 2.99Å; N121-Q139 CarbonylContact C-O 3.55Å; N121-Q139 VanDerWaalsContact CA-O 3.26Å; N121-Q139 WeakPolarHBondContact CA-O 3.35Å; N121-Q139 PolarHBondContact ND2-O 2.96Å; N121-D140 WeakPolarHBondContact CB-OD1 3.34Å; N121-D140 VanDerWaalsContact CG-OD1 3.29Å; N121-D140 PolarHBondContact ND2-OD1 2.87Å
122	M	98.7	Very high	96.4	Very high	22 Å²	22	50.2 Å²	50.2	11%	0.108	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.1	168.7	-174.9	-77.7	-68.8	0	0	108.1	Y31 F32 Y137 H138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.49Å; F32-M122 HydrophobicContact CD1-CB 4Å; F32-M122 HydrophobicContact CD1-CG 3.68Å; F32-M122 HydrophobicContact CE1-CB 4.11Å; F32-M122 HydrophobicContact CE1-CG 3.37Å; F32-M122 HydrophobicContact CZ-CG 3.98Å; M122-Y137 HydrophobicContact CE-CD1 4.1Å; M122-Y137 HydrophobicContact CE-CG 4.16Å; M122-H138 WeakPolarHBondContact O-CA 3.46Å; M122-Q139 HydrophobicContact CB-CG 4.15Å; M122-Q139 HydrophobicContact CE-CG 3.97Å; M122-Q139 PolarHBondContact N-O 3.33Å; M122-Q139 PolarHBondContact O-N 2.92Å
123	Y	98.7	Very high	96.5	Very high	34 Å²	34	48.7 Å²	48.7	13%	0.133	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	158.1	173	71.1	-72.4	0	0	0	110.1	Y31 H33 N121 Y137 Y183	Y31-Y123 VanDerWaalsContact CB-CZ 3.46Å; Y31-Y123 HydrophobicContact CD2-CE1 4.45Å; Y31-Y123 AromaticContact CD2-CE2 3.99Å; Y31-Y123 HydrophobicContact CD2-CE2 3.99Å; Y31-Y123 AromaticContact CD2-CZ 3.82Å; Y31-Y123 HydrophobicContact CG-CE1 4.09Å; Y31-Y123 HydrophobicContact CG-CE2 4.41Å; Y31-Y123 AromaticContact CG-CZ 3.78Å; Y31-Y123 PolarHBondContact N-O 3.39Å; Y31-Y123 PolarHBondContact O-N 3.44Å; H33-Y123 AromaticContact CE1-CD1 3.94Å; H33-Y123 AromaticContact CE1-CE1 3.09Å; H33-Y123 WeakPolarHBondContact CE1-CE1 3.35Å; H33-Y123 AromaticContact CE1-CZ 3.83Å; H33-Y123 AromaticContact ND1-CE1 3.77Å; H33-Y123 AromaticContact NE2-CE1 3.53Å; N121-Y123 WeakPolarHBondContact OD1-CD1 3.33Å; Y123-Y137 WeakPolarHBondContact CA-O 3.31Å; Y123-Y137 VanDerWaalsContact CB-O 3.25Å; Y123-Y137 WeakPolarHBondContact CB-O 3.15Å; Y123-Y183 AromaticContact CD2-CE1 3.84Å; Y123-Y183 HydrophobicContact CD2-CE1 3.84Å; Y123-Y183 AromaticContact CE2-CE1 3.79Å; Y123-Y183 HydrophobicContact CE2-CE1 3.79Å
124	G	98.6	Very high	96.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.3	-175.7	-177.4	0	0	0	0	0	113.4	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.5Å; M29-G124 WeakPolarHBondContact O-CA 3.39Å; G124-G136 CarbonylContact O-C 3.59Å; G124-Y137 PolarHBondContact N-O 2.95Å; G124-Y137 VanDerWaalsContact N-O 3.09Å; G124-Y137 PolarHBondContact O-N 3.44Å; G124-L184 WeakPolarHBondContact O-CD2 3.31Å
125	C	98.7	Very high	96.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	146.7	-174	51.6	0	0	0	0	111	S28 M29 L133 R135 C188 V189	S28-C125 WeakPolarHBondContact CA-O 3.42Å; M29-C125 PolarHBondContact N-O 3.49Å; M29-C125 PolarHBondContact O-N 2.96Å; C125-L133 HydrophobicContact CB-CD1 3.6Å; C125-R135 CarbonylContact C-O 3.55Å; C125-R135 WeakPolarHBondContact CA-O 3.46Å; C125-C188 HydrophobicContact CB-CB 3.95Å; C125-C188 WeakPolarHBondContact CB-SG 3.22Å; C125-C188 PolarHBondContact N-SG 3.39Å; C125-C188 VanDerWaalsContact N-SG 3.35Å; C125-C188 WeakPolarHBondContact SG-CB 3.41Å; C125-C188 PolarHBondContact SG-O 3.44Å; C125-C188 CovalentContact SG-SG 2.05Å; C125-C188 PolarHBondContact SG-SG 3.44Å; C125-V189 HydrophobicContact CB-CG2 4.41Å
126	D	98.4	Very high	97.1	Very high	29 Å²	29	45.9 Å²	45.9	16%	0.155	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	137.7	170.9	-62.8	-4.5	0	0	0	108.8	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.52Å; H27-D126 WeakPolarHBondContact O-CA 3.35Å; S28-D126 WeakPolarHBondContact CB-OD1 3.05Å; R30-D126 IonicContact CZ-OD1 3.18Å; R30-D126 IonicContact NE-OD1 3.79Å; R30-D126 PolarHBondContact NE-OD1 3.33Å; R30-D126 IonicContact NH2-OD1 2.7Å; R30-D126 PolarHBondContact NH2-OD1 3.49Å; R30-D126 IonicContact NH2-OD2 3.41Å; R30-D126 PolarHBondContact NH2-OD2 2.95Å; D126-L134 HydrophobicContact CB-CB 4.43Å; D126-L134 PolarHBondContact O-N 2.9Å; D126-R135 PolarHBondContact N-O 3.07Å; D126-R135 PolarHBondContact O-N 3.49Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.36Å; D126-Y137 PolarHBondContact OD2-OH 3.29Å; D126-Y137 VanDerWaalsContact OD2-OH 3.06Å
127	V	97.8	Very high	97.1	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	146.3	178.3	-60.7	0	0	0	0	111	S26 H27 R132 V189 L192	S26-V127 CarbonylContact C-O 3.53Å; S26-V127 VanDerWaalsContact CA-O 3.24Å; S26-V127 WeakPolarHBondContact CA-O 3.34Å; S26-V127 WeakPolarHBondContact CB-O 3.31Å; H27-V127 HydrophobicContact CB-CG2 4.04Å; H27-V127 PolarHBondContact N-O 2.9Å; H27-V127 PolarHBondContact O-N 3.3Å; V127-R132 CarbonylContact C-O 3.54Å; V127-R132 WeakPolarHBondContact CA-O 3.41Å; V127-R132 WeakPolarHBondContact CB-O 3.3Å; V127-V189 HydrophobicContact CG1-CB 4.38Å; V127-V189 HydrophobicContact CG1-CG1 3.96Å; V127-V189 HydrophobicContact CG1-CG2 3.96Å; V127-L192 HydrophobicContact CB-CD2 4.34Å; V127-L192 HydrophobicContact CG1-CD2 3.93Å; V127-L192 HydrophobicContact CG2-CD2 3.58Å; V127-L192 HydrophobicContact CG2-CG 4.19Å
128	G	95.1	Very high	97.2	Very high	3 Å²	3	44.1 Å²	44.1	3%	0.031	22%	0.218	C	C	.	.			trans	-80.1	-178.7	173.7	0	0	0	0	0	112.4	G25 D130 G131 R132	G25-G128 CarbonylContact O-C 3.55Å; G128-D130 PolarHBondContact O-N 3.44Å; G128-D130 VanDerWaalsContact O-N 3.17Å; G128-G131 WeakPolarHBondContact O-CA 3.48Å; G128-G131 PolarHBondContact O-N 3.47Å; G128-R132 PolarHBondContact N-O 3.49Å
129	P	92.4	Very high	97.2	Very high	109 Å²	109	46.2 Å²	46.2	71%	0.708	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.7	177	-22.9	31.9	0	0	0	114.1	G25 G131	G25-P129 WeakPolarHBondContact O-CA 3.21Å; G25-P129 WeakPolarHBondContact O-CG 3.46Å; G25-P129 VanDerWaalsContact O-N 3.16Å; P129-G131 PolarHBondContact O-N 3.35Å
130	D	91.6	Very high	97.1	Very high	97 Å²	97	46.7 Å²	46.7	52%	0.519	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	2.3	174.2	70.4	-10.2	0	0	0	113	G128 R132	G128-D130 PolarHBondContact O-N 3.44Å; G128-D130 VanDerWaalsContact O-N 3.17Å; D130-R132 PolarHBondContact O-N 3.48Å; D130-R132 WeakPolarHBondContact OD1-CB 3.49Å; D130-R132 PolarHBondContact OD1-N 3.45Å; D130-R132 WeakPolarHBondContact OD2-CD 3.39Å; D130-R132 WeakPolarHBondContact OD2-CG 3.27Å; D130-R132 IonicContact OD2-CZ 2.7Å; D130-R132 IonicContact OD2-NE 3.74Å; D130-R132 IonicContact OD2-NH1 3.5Å
131	G	92.1	Very high	97.1	Very high	11 Å²	11	43.9 Å²	43.9	11%	0.113	22%	0.218	C	C	.	.			trans	73.3	3.7	-177.9	0	0	0	0	0	114.2	G128 P129 V189 R193	G128-G131 WeakPolarHBondContact O-CA 3.48Å; G128-G131 PolarHBondContact O-N 3.47Å; P129-G131 PolarHBondContact O-N 3.35Å; G131-V189 WeakPolarHBondContact O-CG1 3.23Å; G131-R193 PolarHBondContact O-NE 2.92Å; G131-R193 PolarHBondContact O-NH2 3.3Å
132	R	95.4	Very high	97.1	Very high	172 Å²	172	44 Å²	44	65%	0.649	22%	0.218	S	C	*	.			trans	-79	149.3	-179.5	-64.6	-174.5	-178	160.4	-3.4	111.1	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.54Å; V127-R132 WeakPolarHBondContact CA-O 3.41Å; V127-R132 WeakPolarHBondContact CB-O 3.3Å; G128-R132 PolarHBondContact N-O 3.49Å; D130-R132 PolarHBondContact O-N 3.48Å; D130-R132 WeakPolarHBondContact OD1-CB 3.49Å; D130-R132 PolarHBondContact OD1-N 3.45Å; D130-R132 WeakPolarHBondContact OD2-CD 3.39Å; D130-R132 WeakPolarHBondContact OD2-CG 3.27Å; D130-R132 IonicContact OD2-CZ 2.7Å; D130-R132 IonicContact OD2-NE 3.74Å; D130-R132 IonicContact OD2-NH1 3.5Å; R132-L134 PolarHBondContact O-N 3.34Å
133	L	97.6	Very high	97.1	Very high	50 Å²	50	45.8 Å²	45.8	26%	0.262	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	124.5	175.6	-174.7	72.2	0	0	0	110.1	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.6Å; L133-R135 WeakPolarHBondContact CD1-O 3.35Å; L133-L154 HydrophobicContact CD2-CD1 4.16Å; L133-E185 HydrophobicContact CD2-CB 4.37Å; L133-E185 HydrophobicContact CD2-CG 3.62Å; L133-V189 HydrophobicContact CB-CG2 4.02Å; L133-V189 HydrophobicContact CD1-CG2 3.84Å
134	L	97.4	Very high	97.1	Very high	115 Å²	115	47 Å²	47	60%	0.602	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	-44.4	167.8	-63.9	178.5	0	0	0	110.5	D126 R132	D126-L134 HydrophobicContact CB-CB 4.43Å; D126-L134 PolarHBondContact O-N 2.9Å; R132-L134 PolarHBondContact O-N 3.34Å
135	R	97.4	Very high	97.1	Very high	95 Å²	95	54.5 Å²	54.5	36%	0.358	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	140.4	-176.4	-173	160.9	168.5	149	11.2	112	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.55Å; C125-R135 WeakPolarHBondContact CA-O 3.46Å; D126-R135 PolarHBondContact N-O 3.07Å; D126-R135 PolarHBondContact O-N 3.49Å; L133-R135 WeakPolarHBondContact CD1-O 3.35Å; R135-Y137 HydrophobicContact CB-CE2 3.98Å; R135-Y137 VanDerWaalsContact CD-CZ 3.43Å; R135-Y137 WeakPolarHBondContact CD-OH 3.38Å; R135-Y137 HydrophobicContact CG-CD2 4.32Å; R135-Y137 HydrophobicContact CG-CE1 4.1Å; R135-Y137 HydrophobicContact CG-CE2 3.65Å; R135-Y137 PolarHBondContact NE-OH 2.9Å; R135-E152 VanDerWaalsContact CZ-CD 3.44Å; R135-E152 IonicContact CZ-OE1 3.85Å; R135-E152 IonicContact NH1-OE1 3.45Å; R135-E152 PolarHBondContact NH1-OE1 2.77Å; R135-E152 IonicContact NH1-OE2 3.53Å; R135-E152 VanDerWaalsContact NH2-CG 3.29Å; R135-E152 IonicContact NH2-OE1 3.53Å; R135-E152 PolarHBondContact NH2-OE1 3.37Å
136	G	98.2	Very high	97.1	Very high	5 Å²	5	60.6 Å²	60.6	5%	0.052	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	151.7	169.6	0	0	0	0	0	111.3	G124	G124-G136 CarbonylContact O-C 3.59Å
137	Y	98.5	Very high	97.1	Very high	40 Å²	40	59.7 Å²	59.7	16%	0.157	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	140.2	-178.8	-58.3	-94.4	0	0	0	110.4	M122 Y123 G124 D126 R135	M122-Y137 HydrophobicContact CE-CD1 4.1Å; M122-Y137 HydrophobicContact CE-CG 4.16Å; Y123-Y137 WeakPolarHBondContact CA-O 3.31Å; Y123-Y137 VanDerWaalsContact CB-O 3.25Å; Y123-Y137 WeakPolarHBondContact CB-O 3.15Å; G124-Y137 PolarHBondContact N-O 2.95Å; G124-Y137 VanDerWaalsContact N-O 3.09Å; G124-Y137 PolarHBondContact O-N 3.44Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.36Å; D126-Y137 PolarHBondContact OD2-OH 3.29Å; D126-Y137 VanDerWaalsContact OD2-OH 3.06Å; R135-Y137 HydrophobicContact CB-CE2 3.98Å; R135-Y137 VanDerWaalsContact CD-CZ 3.43Å; R135-Y137 WeakPolarHBondContact CD-OH 3.38Å; R135-Y137 HydrophobicContact CG-CD2 4.32Å; R135-Y137 HydrophobicContact CG-CE1 4.1Å; R135-Y137 HydrophobicContact CG-CE2 3.65Å; R135-Y137 PolarHBondContact NE-OH 2.9Å
138	H	98.7	Very high	97.1	Very high	18 Å²	18	59.8 Å²	59.8	8%	0.083	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	110.1	162.1	-178.5	-69.8	0	0	0	108.6	N121 M122 D140 L150 W171 L180	N121-H138 PolarHBondContact ND2-CE1 2.94Å; N121-H138 PolarHBondContact ND2-NE2 2.99Å; M122-H138 WeakPolarHBondContact O-CA 3.46Å; H138-D140 IonicContact CE1-OD2 3.01Å; H138-L150 HydrophobicContact CB-CB 4.01Å; H138-L150 HydrophobicContact CB-CD2 4.19Å; H138-L150 WeakPolarHBondContact O-CB 3.25Å; H138-L150 PolarHBondContact O-N 2.75Å; H138-W171 AromaticContact CE1-CH2 3.85Å; H138-L180 HydrophobicContact CB-CD1 4.14Å
139	Q	98.6	Very high	97.3	Very high	79 Å²	79	61 Å²	61	37%	0.369	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	137.9	-176.8	62.5	-167.5	52.4	0	0	111.4	N121 M122 I148 A149	N121-Q139 CarbonylContact C-O 3.55Å; N121-Q139 VanDerWaalsContact CA-O 3.26Å; N121-Q139 WeakPolarHBondContact CA-O 3.35Å; N121-Q139 PolarHBondContact ND2-O 2.96Å; M122-Q139 HydrophobicContact CB-CG 4.15Å; M122-Q139 HydrophobicContact CE-CG 3.97Å; M122-Q139 PolarHBondContact N-O 3.33Å; M122-Q139 PolarHBondContact O-N 2.92Å; Q139-I148 WeakPolarHBondContact CA-O 3.42Å; Q139-A149 HydrophobicContact CB-CB 3.93Å
140	D	98.6	Very high	97.6	Very high	17 Å²	17	56.6 Å²	56.6	9%	0.091	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	144.9	177.4	-60.4	-60.1	0	0	0	110.9	Q120 N121 H138 Y147 I148 W171	Q120-D140 CarbonylContact O-C 3.51Å; Q120-D140 VanDerWaalsContact O-CA 3.26Å; Q120-D140 WeakPolarHBondContact O-CA 3.37Å; N121-D140 WeakPolarHBondContact CB-OD1 3.34Å; N121-D140 VanDerWaalsContact CG-OD1 3.29Å; N121-D140 PolarHBondContact ND2-OD1 2.87Å; H138-D140 IonicContact CE1-OD2 3.01Å; D140-Y147 HydrophobicContact CB-CD1 4.39Å; D140-Y147 WeakPolarHBondContact O-CB 3.37Å; D140-Y147 PolarHBondContact O-N 2.84Å; D140-I148 HydrophobicContact CB-CG2 4.17Å; D140-I148 PolarHBondContact N-O 2.93Å; D140-I148 PolarHBondContact O-N 3.17Å; D140-W171 VanDerWaalsContact OD2-CH2 3.25Å; D140-W171 WeakPolarHBondContact OD2-CH2 3.38Å
141	A	98.8	Very high	97.9	Very high	16 Å²	16	54.1 Å²	54.1	13%	0.132	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142.1	173.5	0	0	0	0	0	110.7	L119 Q120 K145	L119-A141 WeakPolarHBondContact CD1-O 3.17Å; Q120-A141 HydrophobicContact CB-CB 4.39Å; Q120-A141 PolarHBondContact N-O 2.83Å; Q120-A141 PolarHBondContact O-N 2.69Å; A141-K145 CarbonylContact C-O 3.6Å; A141-K145 WeakPolarHBondContact CA-O 3.37Å; A141-K145 VanDerWaalsContact CB-O 3.29Å; A141-K145 WeakPolarHBondContact CB-O 3.12Å
142	Y	98.8	Very high	98.2	Very high	11 Å²	11	60 Å²	60	4%	0.043	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.8	178.1	-175	-121.3	0	0	0	110.5	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 3.99Å; L105-Y142 HydrophobicContact CB-CD1 4.43Å; L105-Y142 HydrophobicContact CB-CD2 4.28Å; L105-Y142 HydrophobicContact CB-CE1 4.03Å; L105-Y142 HydrophobicContact CB-CE2 3.89Å; L105-Y142 HydrophobicContact CD1-CD2 3.57Å; L105-Y142 HydrophobicContact CD1-CE2 3.87Å; L105-Y142 HydrophobicContact CD1-CG 4.01Å; L105-Y142 HydrophobicContact CG-CD2 4.42Å; L105-Y142 HydrophobicContact CG-CE2 4.48Å; Y109-Y142 AromaticContact CD2-CD1 3.79Å; Y109-Y142 HydrophobicContact CD2-CD1 3.79Å; Y109-Y142 AromaticContact CD2-CE1 3.56Å; Y109-Y142 HydrophobicContact CD2-CE1 3.56Å; Y109-Y142 AromaticContact CE2-CD1 3.54Å; Y109-Y142 HydrophobicContact CE2-CD1 3.54Å; Y109-Y142 AromaticContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CG-CE1 4.42Å; Q111-Y142 PolarHBondContact OE1-OH 3.45Å; H117-Y142 HydrophobicContact CB-CE2 3.88Å; H117-Y142 WeakPolarHBondContact CB-OH 3.19Å; H117-Y142 VanDerWaalsContact CG-OH 3.24Å; H117-Y142 AromaticContact ND1-CZ 3.85Å; H117-Y142 PolarHBondContact ND1-OH 3.17Å; T118-Y142 CarbonylContact O-C 3.5Å; T118-Y142 WeakPolarHBondContact O-CA 3.41Å; T118-Y142 VanDerWaalsContact O-CD2 3.26Å; T118-Y142 WeakPolarHBondContact O-CD2 3.49Å; Y142-G144 PolarHBondContact O-N 3.01Å; Y142-K145 PolarHBondContact N-O 2.82Å; Y142-K145 PolarHBondContact O-N 2.95Å
143	D	98.3	Very high	98.3	Very high	60 Å²	60	55.7 Å²	55.7	32%	0.321	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	49	40.4	-174.9	-65.9	-22	0	0	0	113.3	H117 T118 K145	H117-D143 WeakPolarHBondContact CA-OD1 3.49Å; H117-D143 WeakPolarHBondContact CB-OD1 3.21Å; H117-D143 IonicContact CE1-OD2 3.41Å; H117-D143 IonicContact CG-OD1 3.81Å; H117-D143 IonicContact CG-OD2 2.75Å; H117-D143 IonicContact ND1-OD1 2.77Å; H117-D143 PolarHBondContact ND1-OD1 3.02Å; H117-D143 IonicContact ND1-OD2 2.72Å; H117-D143 PolarHBondContact ND1-OD2 2.79Å; T118-D143 PolarHBondContact N-OD1 3.26Å; T118-D143 PolarHBondContact O-N 2.97Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 2.8Å
144	G	97.4	Very high	98.4	Very high	59 Å²	59	53.7 Å²	53.7	61%	0.608	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	9.9	178.4	0	0	0	0	0	115.2	Y142	Y142-G144 PolarHBondContact O-N 3.01Å
145	K	98.5	Very high	98.4	Very high	158 Å²	158	51.6 Å²	51.6	69%	0.687	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	144.5	176.1	-63.1	176.8	-177.3	176.1	0	110.6	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.6Å; A141-K145 WeakPolarHBondContact CA-O 3.37Å; A141-K145 VanDerWaalsContact CB-O 3.29Å; A141-K145 WeakPolarHBondContact CB-O 3.12Å; Y142-K145 PolarHBondContact N-O 2.82Å; Y142-K145 PolarHBondContact O-N 2.95Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 2.8Å; K145-Y147 PolarHBondContact O-N 2.71Å
146	D	98.7	Very high	98.4	Very high	128 Å²	128	48.9 Å²	48.9	68%	0.684	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.8	134.8	173.7	-64.7	-33.8	0	0	0	110.5	A160	D146-A160 HydrophobicContact CB-CB 4.47Å; D146-A160 WeakPolarHBondContact O-CB 3.16Å
147	Y	98.8	Very high	98.4	Very high	9 Å²	9	49.2 Å²	49.2	4%	0.035	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-63.4	179.8	179.5	-108.4	0	0	0	110.5	L105 Y109 D140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD2 4.14Å; L105-Y147 HydrophobicContact CD2-CE1 4.02Å; L105-Y147 HydrophobicContact CD2-CE2 3.46Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.46Å; Y109-Y147 HydrophobicContact CE2-CD2 4.39Å; Y109-Y147 HydrophobicContact CE2-CE2 4.07Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.34Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.26Å; D140-Y147 HydrophobicContact CB-CD1 4.39Å; D140-Y147 WeakPolarHBondContact O-CB 3.37Å; D140-Y147 PolarHBondContact O-N 2.84Å; K145-Y147 PolarHBondContact O-N 2.71Å; Y147-A160 WeakPolarHBondContact O-CB 3.21Å; Y147-A160 PolarHBondContact O-N 3.34Å; Y147-A163 HydrophobicContact CE2-CB 4.44Å; Y147-A163 PolarHBondContact OH-O 2.83Å; Y147-A164 HydrophobicContact CD2-CB 3.89Å; Y147-A164 HydrophobicContact CE1-CB 4.45Å; Y147-A164 HydrophobicContact CE2-CB 3.76Å; Y147-A164 HydrophobicContact CG-CB 4.31Å; Y147-A164 WeakPolarHBondContact O-CB 3.49Å; Y147-T167 HydrophobicContact CE1-CG2 4.19Å; Y147-T167 PolarHBondContact OH-OG1 2.85Å
148	I	98.8	Very high	98.5	Very high	3 Å²	3	51 Å²	51	2%	0.015	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	140.7	178.5	-162	173.6	0	0	0	110.5	Q139 D140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.42Å; D140-I148 HydrophobicContact CB-CG2 4.17Å; D140-I148 PolarHBondContact N-O 2.93Å; D140-I148 PolarHBondContact O-N 3.17Å; I148-W157 HydrophobicContact CD1-CB 4.34Å; I148-W157 HydrophobicContact CD1-CD2 4.35Å; I148-W157 HydrophobicContact CD1-CE3 4.09Å; I148-W157 HydrophobicContact CD1-CG 4.48Å; I148-W157 HydrophobicContact CG1-CB 4.43Å; I148-W157 HydrophobicContact CG1-CE3 3.99Å; I148-T158 WeakPolarHBondContact CA-O 3.25Å; I148-T167 HydrophobicContact CD1-CG2 4.07Å; I148-Q168 HydrophobicContact CD1-CB 3.9Å; I148-W171 HydrophobicContact CD1-CE3 4.14Å; I148-W171 HydrophobicContact CD1-CZ3 4.46Å; I148-W171 HydrophobicContact CG2-CH2 4.21Å; I148-W171 HydrophobicContact CG2-CZ3 3.84Å
149	A	98.8	Very high	98.5	Very high	30 Å²	30	51.3 Å²	51.3	25%	0.248	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	138.7	178.8	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.93Å; A149-W157 WeakPolarHBondContact O-CA 3.43Å; A149-T158 PolarHBondContact N-O 3.22Å; A149-T158 PolarHBondContact O-N 3Å
150	L	98.8	Very high	98.5	Very high	15 Å²	15	50.4 Å²	50.4	8%	0.079	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	127.9	168.1	-175.7	67.6	0	0	0	108.4	H138 L154 W157 A177 L180 L184	H138-L150 HydrophobicContact CB-CB 4.01Å; H138-L150 HydrophobicContact CB-CD2 4.19Å; H138-L150 WeakPolarHBondContact O-CB 3.25Å; H138-L150 PolarHBondContact O-N 2.75Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.33Å; L150-W157 HydrophobicContact CB-CE3 4.11Å; L150-W157 HydrophobicContact CB-CH2 4.16Å; L150-W157 HydrophobicContact CB-CZ3 3.72Å; L150-W157 HydrophobicContact CD1-CD2 4.26Å; L150-W157 HydrophobicContact CD1-CE3 4.32Å; L150-W157 HydrophobicContact CD1-CH2 4.04Å; L150-W157 HydrophobicContact CD1-CZ2 3.96Å; L150-W157 HydrophobicContact CD1-CZ3 4.21Å; L150-A177 HydrophobicContact CD1-CB 3.96Å; L150-L180 HydrophobicContact CD2-CB 4.21Å; L150-L180 HydrophobicContact CD2-CD1 4.41Å; L150-L184 HydrophobicContact CD2-CD1 4Å
151	N	98.6	Very high	98.4	Very high	45 Å²	45	52.2 Å²	52.2	24%	0.241	31%	0.308	C	S	.	.			trans	-72.5	164	-179.9	-67.8	-29	0	0	0	111.4	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.06Å; N151-D153 VanDerWaalsContact O-N 3.07Å; N151-L154 PolarHBondContact O-N 2.84Å; N151-S156 WeakPolarHBondContact CB-O 3.35Å; N151-S156 WeakPolarHBondContact CB-OG 3.47Å; N151-S156 PolarHBondContact N-O 3.32Å; N151-S156 PolarHBondContact ND2-OG 2.85Å; N151-T158 PolarHBondContact ND2-OG1 2.85Å; N151-T158 WeakPolarHBondContact OD1-CB 3.43Å; N151-T158 PolarHBondContact OD1-OG1 3.03Å
152	E	97.9	Very high	98.4	Very high	135 Å²	135	56.6 Å²	56.6	63%	0.631	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.1	-179.2	-67.4	179.7	-165.3	0	0	113.7	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.44Å; R135-E152 IonicContact CZ-OE1 3.85Å; R135-E152 IonicContact NH1-OE1 3.45Å; R135-E152 PolarHBondContact NH1-OE1 2.77Å; R135-E152 IonicContact NH1-OE2 3.53Å; R135-E152 VanDerWaalsContact NH2-CG 3.29Å; R135-E152 IonicContact NH2-OE1 3.53Å; R135-E152 PolarHBondContact NH2-OE1 3.37Å; E152-L154 PolarHBondContact O-N 3.1Å
153	D	97.8	Very high	98.4	Very high	81 Å²	81	56.2 Å²	56.2	43%	0.433	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-6.5	175.1	67.9	23.4	0	0	0	114	N151 S155 S156	N151-D153 PolarHBondContact O-N 3.06Å; N151-D153 VanDerWaalsContact O-N 3.07Å; D153-S155 PolarHBondContact O-N 3.12Å; D153-S155 VanDerWaalsContact O-N 3.16Å; D153-S155 WeakPolarHBondContact OD1-CA 3.31Å; D153-S155 PolarHBondContact OD1-N 3.36Å; D153-S155 PolarHBondContact OD1-OG 3.29Å; D153-S155 PolarHBondContact OD2-OG 2.84Å; D153-S156 VanDerWaalsContact CG-OG 3.27Å; D153-S156 PolarHBondContact OD1-N 3.09Å; D153-S156 PolarHBondContact OD1-OG 3.06Å; D153-S156 WeakPolarHBondContact OD2-CB 3.24Å; D153-S156 PolarHBondContact OD2-OG 2.85Å
154	L	98.2	Very high	98.4	Very high	9 Å²	9	53.4 Å²	53.4	5%	0.047	32%	0.318	C	S	.	.	S	Bend	trans	53.3	29.4	-177.1	-53	-178.7	0	0	0	113.9	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.16Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.33Å; N151-L154 PolarHBondContact O-N 2.84Å; E152-L154 PolarHBondContact O-N 3.1Å; L154-R181 HydrophobicContact CB-CB 4.08Å; L154-R181 HydrophobicContact CB-CG 3.93Å; L154-R181 HydrophobicContact CD1-CG 4.28Å; L154-L184 HydrophobicContact CD2-CD1 4.03Å; L154-E185 HydrophobicContact CD1-CG 4.18Å
155	S	97.9	Very high	98.4	Very high	70 Å²	70	54.1 Å²	54.1	49%	0.49	31%	0.305	S	S	.	.	S	Bend	trans	-139.9	-26.8	-175.1	69.6	0	0	0	0	113.6	D153	D153-S155 PolarHBondContact O-N 3.12Å; D153-S155 VanDerWaalsContact O-N 3.16Å; D153-S155 WeakPolarHBondContact OD1-CA 3.31Å; D153-S155 PolarHBondContact OD1-N 3.36Å; D153-S155 PolarHBondContact OD1-OG 3.29Å; D153-S155 PolarHBondContact OD2-OG 2.84Å
156	S	98.1	Very high	98.4	Very high	38 Å²	38	49.6 Å²	49.6	27%	0.266	29%	0.288	S	S	.	.			trans	-118.4	163.9	-177.9	70.7	0	0	0	0	112.2	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.35Å; N151-S156 WeakPolarHBondContact CB-OG 3.47Å; N151-S156 PolarHBondContact N-O 3.32Å; N151-S156 PolarHBondContact ND2-OG 2.85Å; D153-S156 VanDerWaalsContact CG-OG 3.27Å; D153-S156 PolarHBondContact OD1-N 3.09Å; D153-S156 PolarHBondContact OD1-OG 3.06Å; D153-S156 WeakPolarHBondContact OD2-CB 3.24Å; D153-S156 PolarHBondContact OD2-OG 2.85Å
157	W	98.8	Very high	98.4	Very high	12 Å²	12	44.3 Å²	44.3	5%	0.045	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	145.6	-174.1	-61.8	94.1	0	0	0	111.6	I148 A149 L150 Q168 W171 V176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.34Å; I148-W157 HydrophobicContact CD1-CD2 4.35Å; I148-W157 HydrophobicContact CD1-CE3 4.09Å; I148-W157 HydrophobicContact CD1-CG 4.48Å; I148-W157 HydrophobicContact CG1-CB 4.43Å; I148-W157 HydrophobicContact CG1-CE3 3.99Å; A149-W157 WeakPolarHBondContact O-CA 3.43Å; L150-W157 HydrophobicContact CB-CE3 4.11Å; L150-W157 HydrophobicContact CB-CH2 4.16Å; L150-W157 HydrophobicContact CB-CZ3 3.72Å; L150-W157 HydrophobicContact CD1-CD2 4.26Å; L150-W157 HydrophobicContact CD1-CE3 4.32Å; L150-W157 HydrophobicContact CD1-CH2 4.04Å; L150-W157 HydrophobicContact CD1-CZ2 3.96Å; L150-W157 HydrophobicContact CD1-CZ3 4.21Å; W157-Q168 HydrophobicContact CB-CG 4.01Å; W157-Q168 PolarHBondContact O-NE2 3.4Å; W157-W171 HydrophobicContact CD2-CE3 4.1Å; W157-W171 AromaticContact CE2-CE3 3.88Å; W157-W171 AromaticContact CE3-CE3 3.89Å; W157-W171 HydrophobicContact CE3-CE3 3.89Å; W157-W171 HydrophobicContact CE3-CZ3 4.05Å; W157-W171 HydrophobicContact CH2-CD2 4.39Å; W157-W171 AromaticContact CH2-CE3 3.21Å; W157-W171 HydrophobicContact CH2-CE3 3.21Å; W157-W171 HydrophobicContact CH2-CH2 4.48Å; W157-W171 AromaticContact CH2-CZ3 3.27Å; W157-W171 HydrophobicContact CH2-CZ3 3.27Å; W157-W171 HydrophobicContact CZ2-CD2 4.37Å; W157-W171 AromaticContact CZ2-CE3 3.46Å; W157-W171 HydrophobicContact CZ2-CE3 3.46Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.46Å; W157-W171 HydrophobicContact CZ2-CZ3 4.03Å; W157-W171 AromaticContact CZ3-CE3 3.47Å; W157-W171 HydrophobicContact CZ3-CE3 3.47Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.47Å; W157-W171 AromaticContact CZ3-CZ3 3.31Å; W157-W171 HydrophobicContact CZ3-CZ3 3.31Å; W157-V176 HydrophobicContact CH2-CG1 4.43Å; W157-V176 HydrophobicContact CZ2-CB 4.28Å; W157-V176 HydrophobicContact CZ2-CG1 4.07Å; W157-A177 HydrophobicContact CZ2-CB 4.17Å; W157-L180 HydrophobicContact CH2-CD1 3.43Å; W157-L180 VanDerWaalsContact CH2-CD1 3.43Å; W157-L180 HydrophobicContact CZ2-CD1 3.95Å
158	T	98.8	Very high	98.4	Very high	79 Å²	79	45.8 Å²	45.8	49%	0.485	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	116.2	165.1	-66.1	0	0	0	0	109	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.25Å; A149-T158 PolarHBondContact N-O 3.22Å; A149-T158 PolarHBondContact O-N 3Å; N151-T158 PolarHBondContact ND2-OG1 2.85Å; N151-T158 WeakPolarHBondContact OD1-CB 3.43Å; N151-T158 PolarHBondContact OD1-OG1 3.03Å
159	A	98.7	Very high	98.4	Very high	23 Å²	23	53 Å²	53	19%	0.19	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.7	175.1	0	0	0	0	0	110.4	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.75Å; A159-Q165 HydrophobicContact CB-CG 3.99Å; A159-Q168 HydrophobicContact CB-CB 4.43Å
160	A	98.5	Very high	98.4	Very high	60 Å²	60	57.1 Å²	57.1	50%	0.496	31%	0.307	S	S	.	.	S	Bend	trans	-74.4	-31.6	-176.4	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.47Å; D146-A160 WeakPolarHBondContact O-CB 3.16Å; Y147-A160 WeakPolarHBondContact O-CB 3.21Å; Y147-A160 PolarHBondContact O-N 3.34Å
161	D	98.3	Very high	98.4	Very high	55 Å²	55	59.5 Å²	59.5	29%	0.294	32%	0.315	S	S	.	.	S	Bend	trans	-150.6	-175	-178	66.9	27.8	0	0	0	113.1	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.46Å; Y109-D161 VanDerWaalsContact OH-CG 3.26Å; Y109-D161 PolarHBondContact OH-OD1 2.85Å; Y109-D161 PolarHBondContact OH-OD2 2.87Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.02Å; D161-A163 WeakPolarHBondContact OD1-CA 3.47Å; D161-A163 WeakPolarHBondContact OD1-CB 3.32Å; D161-A163 PolarHBondContact OD1-N 3.27Å; D161-A164 PolarHBondContact O-N 3.28Å; D161-A164 PolarHBondContact OD1-N 2.9Å; D161-Q165 WeakPolarHBondContact O-CG 3.26Å; D161-Q165 PolarHBondContact O-N 3.39Å
162	T	98.3	Very high	98.4	Very high	108 Å²	108	61.9 Å²	61.9	66%	0.663	32%	0.324	S	S	*	.	H	α-helix	trans	-67.3	-26.6	-178.9	52.7	0	0	0	0	113.7
163	A	98.1	Very high	98.4	Very high	4 Å²	4	59.6 Å²	59.6	3%	0.033	33%	0.329	C	S	.	.	H	α-helix	trans	-72.7	-44.7	174.1	0	0	0	0	0	110.2	Y108 Y109 Y147 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.44Å; Y109-A163 HydrophobicContact CD1-CB 4.2Å; Y109-A163 HydrophobicContact CD2-CB 4.42Å; Y109-A163 HydrophobicContact CE1-CB 3.62Å; Y109-A163 HydrophobicContact CE2-CB 3.87Å; Y109-A163 VanDerWaalsContact CZ-CB 3.45Å; Y147-A163 HydrophobicContact CE2-CB 4.44Å; Y147-A163 PolarHBondContact OH-O 2.83Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.02Å; D161-A163 WeakPolarHBondContact OD1-CA 3.47Å; D161-A163 WeakPolarHBondContact OD1-CB 3.32Å; D161-A163 PolarHBondContact OD1-N 3.27Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 3.38Å; A163-I166 VanDerWaalsContact O-CB 3.27Å; A163-I166 WeakPolarHBondContact O-CB 3.45Å; A163-I166 PolarHBondContact O-N 3.39Å
164	A	98.5	Very high	98.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.5	-34.8	174.2	0	0	0	0	0	112.9	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.89Å; Y147-A164 HydrophobicContact CE1-CB 4.45Å; Y147-A164 HydrophobicContact CE2-CB 3.76Å; Y147-A164 HydrophobicContact CG-CB 4.31Å; Y147-A164 WeakPolarHBondContact O-CB 3.49Å; A159-A164 HydrophobicContact CB-CB 3.75Å; D161-A164 PolarHBondContact O-N 3.28Å; D161-A164 PolarHBondContact OD1-N 2.9Å; A164-I166 PolarHBondContact O-N 2.89Å; A164-T167 WeakPolarHBondContact O-CA 3.46Å; A164-T167 WeakPolarHBondContact O-CB 3.26Å; A164-T167 PolarHBondContact O-N 2.82Å; A164-Q168 PolarHBondContact O-N 2.85Å
165	Q	98.7	Very high	98.4	Very high	75 Å²	75	65.6 Å²	65.6	35%	0.35	36%	0.358	S	S	.	.	H	α-helix	trans	-59.4	-28.6	173.1	-73.8	173.7	12.6	0	0	113	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.99Å; D161-Q165 WeakPolarHBondContact O-CG 3.26Å; D161-Q165 PolarHBondContact O-N 3.39Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 3.38Å; Q165-R169 VanDerWaalsContact O-CG 3.32Å; Q165-R169 WeakPolarHBondContact O-CG 3.4Å; Q165-R169 PolarHBondContact O-N 3.45Å; Q165-R169 VanDerWaalsContact O-N 3.12Å
166	I	98.5	Very high	98.4	Very high	62 Å²	62	63.6 Å²	63.6	32%	0.318	34%	0.342	S	S	.	.	H	α-helix	trans	-68	-43.8	174.4	-56.1	170.6	0	0	0	109.7	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.22Å; Y108-I166 HydrophobicContact CE1-CD1 4.38Å; Y108-I166 HydrophobicContact CE1-CG2 4.06Å; Y108-I166 HydrophobicContact CE2-CB 4.07Å; Y108-I166 HydrophobicContact CE2-CG2 4.03Å; Y108-I166 HydrophobicContact CG-CD1 4.29Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.38Å; A163-I166 VanDerWaalsContact O-CB 3.27Å; A163-I166 WeakPolarHBondContact O-CB 3.45Å; A163-I166 PolarHBondContact O-N 3.39Å; A164-I166 PolarHBondContact O-N 2.89Å; I166-K170 WeakPolarHBondContact O-CG 3.43Å; I166-K170 PolarHBondContact O-N 2.81Å
167	T	98.4	Very high	98.5	Very high	18 Å²	18	62.2 Å²	62.2	11%	0.11	33%	0.333	C	S	.	.	H	α-helix	trans	-63.7	-45.9	174.1	-69.9	0	0	0	0	111.2	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.19Å; Y147-T167 PolarHBondContact OH-OG1 2.85Å; I148-T167 HydrophobicContact CD1-CG2 4.07Å; A164-T167 WeakPolarHBondContact O-CA 3.46Å; A164-T167 WeakPolarHBondContact O-CB 3.26Å; A164-T167 PolarHBondContact O-N 2.82Å; T167-R169 PolarHBondContact O-N 3.2Å; T167-K170 WeakPolarHBondContact O-CB 3.27Å; T167-K170 PolarHBondContact O-N 3.29Å; T167-K170 VanDerWaalsContact O-N 3.09Å; T167-W171 HydrophobicContact CG2-CD2 3.7Å; T167-W171 HydrophobicContact CG2-CE3 4.2Å; T167-W171 HydrophobicContact CG2-CG 4.03Å; T167-W171 HydrophobicContact CG2-CH2 4.48Å; T167-W171 HydrophobicContact CG2-CZ2 3.98Å; T167-W171 WeakPolarHBondContact O-CB 3.34Å; T167-W171 PolarHBondContact O-N 2.77Å
168	Q	98.6	Very high	98.4	Very high	40 Å²	40	66.8 Å²	66.8	19%	0.187	36%	0.355	C	S	.	.	H	α-helix	trans	-51.4	-53.4	177.5	176.8	174.9	10.1	0	0	111.6	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.9Å; W157-Q168 HydrophobicContact CB-CG 4.01Å; W157-Q168 PolarHBondContact O-NE2 3.4Å; A159-Q168 HydrophobicContact CB-CB 4.43Å; A164-Q168 PolarHBondContact O-N 2.85Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 2.94Å; Q168-W171 PolarHBondContact O-N 2.6Å; Q168-W171 VanDerWaalsContact O-N 3.1Å; Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.46Å; Q168-E172 PolarHBondContact NE2-OE1 3.03Å; Q168-E172 WeakPolarHBondContact O-CB 3.29Å; Q168-E172 WeakPolarHBondContact O-CG 3.15Å; Q168-E172 PolarHBondContact O-N 2.97Å
169	R	98.7	Very high	98.4	Very high	154 Å²	154	69.6 Å²	69.6	58%	0.581	36%	0.363	S	S	*	.	H	α-helix	trans	-59.1	-38.9	179.6	-68.5	170	-166.1	151.8	8.7	112.6	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.32Å; Q165-R169 WeakPolarHBondContact O-CG 3.4Å; Q165-R169 PolarHBondContact O-N 3.45Å; Q165-R169 VanDerWaalsContact O-N 3.12Å; T167-R169 PolarHBondContact O-N 3.2Å; R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.45Å; R169-A173 PolarHBondContact O-N 2.9Å
170	K	98.3	Very high	98.4	Very high	117 Å²	117	70 Å²	70	51%	0.509	36%	0.361	S	S	.	.	H	α-helix	trans	-66	-42.7	176.5	-72.9	177.9	174.8	-174.9	0	111.4	Y108 I166 T167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 3.33Å; I166-K170 WeakPolarHBondContact O-CG 3.43Å; I166-K170 PolarHBondContact O-N 2.81Å; T167-K170 WeakPolarHBondContact O-CB 3.27Å; T167-K170 PolarHBondContact O-N 3.29Å; T167-K170 VanDerWaalsContact O-N 3.09Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 2.94Å; K170-A174 VanDerWaalsContact O-CB 3.3Å; K170-A174 WeakPolarHBondContact O-CB 2.98Å; K170-A174 PolarHBondContact O-N 3.33Å
171	W	98.4	Very high	98.4	Very high	64 Å²	64	72.1 Å²	72.1	24%	0.242	36%	0.356	C	S	.	.	H	α-helix	trans	-72.1	-37	-178.3	-76.3	10.9	0	0	0	112.6	H138 D140 I148 W157 T167 Q168 A174 R175 V176	H138-W171 AromaticContact CE1-CH2 3.85Å; D140-W171 VanDerWaalsContact OD2-CH2 3.25Å; D140-W171 WeakPolarHBondContact OD2-CH2 3.38Å; I148-W171 HydrophobicContact CD1-CE3 4.14Å; I148-W171 HydrophobicContact CD1-CZ3 4.46Å; I148-W171 HydrophobicContact CG2-CH2 4.21Å; I148-W171 HydrophobicContact CG2-CZ3 3.84Å; W157-W171 HydrophobicContact CD2-CE3 4.1Å; W157-W171 AromaticContact CE2-CE3 3.88Å; W157-W171 AromaticContact CE3-CE3 3.89Å; W157-W171 HydrophobicContact CE3-CE3 3.89Å; W157-W171 HydrophobicContact CE3-CZ3 4.05Å; W157-W171 HydrophobicContact CH2-CD2 4.39Å; W157-W171 AromaticContact CH2-CE3 3.21Å; W157-W171 HydrophobicContact CH2-CE3 3.21Å; W157-W171 HydrophobicContact CH2-CH2 4.48Å; W157-W171 AromaticContact CH2-CZ3 3.27Å; W157-W171 HydrophobicContact CH2-CZ3 3.27Å; W157-W171 HydrophobicContact CZ2-CD2 4.37Å; W157-W171 AromaticContact CZ2-CE3 3.46Å; W157-W171 HydrophobicContact CZ2-CE3 3.46Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.46Å; W157-W171 HydrophobicContact CZ2-CZ3 4.03Å; W157-W171 AromaticContact CZ3-CE3 3.47Å; W157-W171 HydrophobicContact CZ3-CE3 3.47Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.47Å; W157-W171 AromaticContact CZ3-CZ3 3.31Å; W157-W171 HydrophobicContact CZ3-CZ3 3.31Å; T167-W171 HydrophobicContact CG2-CD2 3.7Å; T167-W171 HydrophobicContact CG2-CE3 4.2Å; T167-W171 HydrophobicContact CG2-CG 4.03Å; T167-W171 HydrophobicContact CG2-CH2 4.48Å; T167-W171 HydrophobicContact CG2-CZ2 3.98Å; T167-W171 WeakPolarHBondContact O-CB 3.34Å; T167-W171 PolarHBondContact O-N 2.77Å; Q168-W171 PolarHBondContact O-N 2.6Å; Q168-W171 VanDerWaalsContact O-N 3.1Å; W171-A174 CarbonylContact O-C 3.55Å; W171-A174 PolarHBondContact O-N 3.49Å; W171-R175 PolarHBondContact O-N 3.32Å; W171-V176 HydrophobicContact CB-CB 3.98Å; W171-V176 HydrophobicContact CB-CG2 3.92Å; W171-V176 HydrophobicContact CD2-CB 4.46Å; W171-V176 HydrophobicContact CD2-CG1 4.24Å; W171-V176 HydrophobicContact CD2-CG2 4.49Å; W171-V176 HydrophobicContact CE3-CG1 4.41Å; W171-V176 HydrophobicContact CG-CB 4.13Å; W171-V176 HydrophobicContact CG-CG1 4.41Å; W171-V176 HydrophobicContact CG-CG2 3.87Å; W171-V176 PolarHBondContact O-N 3.26Å
172	E	98.6	Very high	98.4	Very high	95 Å²	95	72.7 Å²	72.7	44%	0.444	37%	0.368	S	S	.	.	H	α-helix	trans	-63.4	-48.2	171.2	-72.7	169.8	173.8	0	0	111	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.46Å; Q168-E172 PolarHBondContact NE2-OE1 3.03Å; Q168-E172 WeakPolarHBondContact O-CB 3.29Å; Q168-E172 WeakPolarHBondContact O-CG 3.15Å; Q168-E172 PolarHBondContact O-N 2.97Å; E172-A174 VanDerWaalsContact C-N 3.25Å; E172-A174 PolarHBondContact O-N 2.93Å; E172-R175 PolarHBondContact O-N 3.41Å
173	A	98.4	Very high	98.4	Very high	88 Å²	88	70 Å²	70	73%	0.727	35%	0.347	S	S	*	.	H	α-helix	trans	-61	-35.1	177.2	0	0	0	0	0	112.7	R169	R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.45Å; R169-A173 PolarHBondContact O-N 2.9Å
174	A	98.3	Very high	98.4	Very high	59 Å²	59	69.9 Å²	69.9	49%	0.488	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	1.7	177.6	0	0	0	0	0	114	K170 W171 E172 V176	K170-A174 VanDerWaalsContact O-CB 3.3Å; K170-A174 WeakPolarHBondContact O-CB 2.98Å; K170-A174 PolarHBondContact O-N 3.33Å; W171-A174 CarbonylContact O-C 3.55Å; W171-A174 PolarHBondContact O-N 3.49Å; E172-A174 VanDerWaalsContact C-N 3.25Å; E172-A174 PolarHBondContact O-N 2.93Å; A174-V176 VanDerWaalsContact C-N 3.26Å; A174-V176 HydrophobicContact CB-CG2 4.06Å; A174-V176 PolarHBondContact O-N 3.26Å
175	R	98.1	Very high	98.4	Very high	157 Å²	157	74.2 Å²	74.2	59%	0.592	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	39.5	-178.3	-61.4	174.6	172	-127.4	6.2	113.9	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 3.32Å; E172-R175 PolarHBondContact O-N 3.41Å; R175-A177 PolarHBondContact O-N 3.45Å; R175-E178 HydrophobicContact CB-CG 4.25Å; R175-E178 WeakPolarHBondContact CD-OE1 3.44Å; R175-E178 IonicContact CZ-OE1 3.84Å; R175-E178 IonicContact NE-OE1 2.66Å; R175-E178 IonicContact NH1-OE1 2.99Å; R175-E178 PolarHBondContact NH1-OE1 3.37Å; R175-E178 IonicContact NH1-OE2 3.16Å; R175-E178 PolarHBondContact O-N 2.85Å; R175-E178 VanDerWaalsContact O-N 3.14Å
176	V	98.5	Very high	98.4	Very high	28 Å²	28	71.7 Å²	71.7	17%	0.17	36%	0.36	C	S	.	.	H	α-helix	trans	-59.8	-34.9	-178.2	175.9	0	0	0	0	111.8	W157 W171 A174 E178 Q179 L180	W157-V176 HydrophobicContact CH2-CG1 4.43Å; W157-V176 HydrophobicContact CZ2-CB 4.28Å; W157-V176 HydrophobicContact CZ2-CG1 4.07Å; W171-V176 HydrophobicContact CB-CB 3.98Å; W171-V176 HydrophobicContact CB-CG2 3.92Å; W171-V176 HydrophobicContact CD2-CB 4.46Å; W171-V176 HydrophobicContact CD2-CG1 4.24Å; W171-V176 HydrophobicContact CD2-CG2 4.49Å; W171-V176 HydrophobicContact CE3-CG1 4.41Å; W171-V176 HydrophobicContact CG-CB 4.13Å; W171-V176 HydrophobicContact CG-CG1 4.41Å; W171-V176 HydrophobicContact CG-CG2 3.87Å; W171-V176 PolarHBondContact O-N 3.26Å; A174-V176 VanDerWaalsContact C-N 3.26Å; A174-V176 HydrophobicContact CB-CG2 4.06Å; A174-V176 PolarHBondContact O-N 3.26Å; V176-E178 VanDerWaalsContact C-N 3.3Å; V176-E178 PolarHBondContact O-N 3.28Å; V176-Q179 PolarHBondContact O-N 2.89Å; V176-L180 HydrophobicContact CG1-CD1 3.9Å; V176-L180 HydrophobicContact CG1-CG 4.21Å; V176-L180 WeakPolarHBondContact O-CG 3.39Å; V176-L180 PolarHBondContact O-N 3.22Å
177	A	98.6	Very high	98.4	Very high	8 Å²	8	73.8 Å²	73.8	7%	0.066	37%	0.368	C	S	.	.	H	α-helix	trans	-60.5	-37	178.2	0	0	0	0	0	112.7	L150 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 3.96Å; W157-A177 HydrophobicContact CZ2-CB 4.17Å; R175-A177 PolarHBondContact O-N 3.45Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 3.05Å; A177-L180 PolarHBondContact O-N 3.31Å; A177-R181 WeakPolarHBondContact O-CB 3.29Å; A177-R181 PolarHBondContact O-N 3.44Å
178	E	98.3	Very high	98.4	Very high	109 Å²	109	73 Å²	73	51%	0.509	36%	0.363	S	S	.	.	H	α-helix	trans	-63.9	-39.9	178.2	-63.8	176.2	-165.6	0	0	111.4	R175 V176 A182	R175-E178 HydrophobicContact CB-CG 4.25Å; R175-E178 WeakPolarHBondContact CD-OE1 3.44Å; R175-E178 IonicContact CZ-OE1 3.84Å; R175-E178 IonicContact NE-OE1 2.66Å; R175-E178 IonicContact NH1-OE1 2.99Å; R175-E178 PolarHBondContact NH1-OE1 3.37Å; R175-E178 IonicContact NH1-OE2 3.16Å; R175-E178 PolarHBondContact O-N 2.85Å; R175-E178 VanDerWaalsContact O-N 3.14Å; V176-E178 VanDerWaalsContact C-N 3.3Å; V176-E178 PolarHBondContact O-N 3.28Å; E178-A182 WeakPolarHBondContact O-CB 3.48Å; E178-A182 PolarHBondContact O-N 2.91Å
179	Q	97.9	Very high	98.4	Very high	138 Å²	138	71.4 Å²	71.4	65%	0.645	36%	0.356	S	S	*	.	H	α-helix	trans	-68.6	-44.8	177.6	-61.8	178.8	6.6	0	0	111.7	V176 A177 A182 Y183	V176-Q179 PolarHBondContact O-N 2.89Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 3.05Å; Q179-A182 PolarHBondContact O-N 3.38Å; Q179-Y183 PolarHBondContact O-N 3.22Å; Q179-Y183 VanDerWaalsContact O-N 3.11Å
180	L	98.4	Very high	98.4	Very high	30 Å²	30	70.1 Å²	70.1	16%	0.157	36%	0.357	C	S	.	.	H	α-helix	trans	-64.5	-42.3	177.7	-69.8	174.6	0	0	0	111.4	H138 L150 W157 V176 A177 A182 Y183 L184	H138-L180 HydrophobicContact CB-CD1 4.14Å; L150-L180 HydrophobicContact CD2-CB 4.21Å; L150-L180 HydrophobicContact CD2-CD1 4.41Å; W157-L180 HydrophobicContact CH2-CD1 3.43Å; W157-L180 VanDerWaalsContact CH2-CD1 3.43Å; W157-L180 HydrophobicContact CZ2-CD1 3.95Å; V176-L180 HydrophobicContact CG1-CD1 3.9Å; V176-L180 HydrophobicContact CG1-CG 4.21Å; V176-L180 WeakPolarHBondContact O-CG 3.39Å; V176-L180 PolarHBondContact O-N 3.22Å; A177-L180 PolarHBondContact O-N 3.31Å; L180-A182 PolarHBondContact O-N 2.85Å; L180-Y183 PolarHBondContact O-N 3.42Å; L180-L184 WeakPolarHBondContact O-CB 3.32Å; L180-L184 WeakPolarHBondContact O-CG 3.44Å; L180-L184 PolarHBondContact O-N 2.89Å
181	R	98.5	Very high	98.4	Very high	106 Å²	106	66.9 Å²	66.9	40%	0.4	34%	0.341	S	S	.	.	H	α-helix	trans	-58.5	-47.3	174.7	-178.6	179.3	175.3	159.8	13.1	111.6	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.08Å; L154-R181 HydrophobicContact CB-CG 3.93Å; L154-R181 HydrophobicContact CD1-CG 4.28Å; A177-R181 WeakPolarHBondContact O-CB 3.29Å; A177-R181 PolarHBondContact O-N 3.44Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 2.81Å; R181-L184 PolarHBondContact O-N 3.05Å; R181-E185 HydrophobicContact CG-CG 4.14Å; R181-E185 WeakPolarHBondContact CG-OE2 3.36Å; R181-E185 IonicContact CZ-OE1 3.82Å; R181-E185 IonicContact CZ-OE2 3.59Å; R181-E185 VanDerWaalsContact NE-CD 3.26Å; R181-E185 IonicContact NE-OE1 3.34Å; R181-E185 PolarHBondContact NE-OE1 3.15Å; R181-E185 IonicContact NE-OE2 2.66Å; R181-E185 PolarHBondContact NE-OE2 3.5Å; R181-E185 IonicContact NH2-OE1 3.92Å; R181-E185 PolarHBondContact NH2-OE1 3.48Å; R181-E185 IonicContact NH2-OE2 2.78Å; R181-E185 WeakPolarHBondContact O-CB 3.49Å; R181-E185 PolarHBondContact O-N 3.35Å
182	A	98.6	Very high	98.4	Very high	66 Å²	66	63.8 Å²	63.8	55%	0.545	33%	0.33	S	S	.	.	H	α-helix	trans	-58.9	-41.7	178.5	0	0	0	0	0	112.2	E178 Q179 L180 G186	E178-A182 WeakPolarHBondContact O-CB 3.48Å; E178-A182 PolarHBondContact O-N 2.91Å; Q179-A182 PolarHBondContact O-N 3.38Å; L180-A182 PolarHBondContact O-N 2.85Å; A182-G186 PolarHBondContact O-N 3Å; A182-G186 VanDerWaalsContact O-N 3.09Å
183	Y	98.4	Very high	98.3	Very high	52 Å²	52	64.9 Å²	64.9	20%	0.204	33%	0.33	C	S	.	.	H	α-helix	trans	-65.6	-47.4	174.1	170.6	-96.1	0	0	0	112.4	Y123 Q179 L180 R181 G186 E187 C188	Y123-Y183 AromaticContact CD2-CE1 3.84Å; Y123-Y183 HydrophobicContact CD2-CE1 3.84Å; Y123-Y183 AromaticContact CE2-CE1 3.79Å; Y123-Y183 HydrophobicContact CE2-CE1 3.79Å; Q179-Y183 PolarHBondContact O-N 3.22Å; Q179-Y183 VanDerWaalsContact O-N 3.11Å; L180-Y183 PolarHBondContact O-N 3.42Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 2.81Å; Y183-G186 CarbonylContact O-C 3.5Å; Y183-G186 PolarHBondContact O-N 3.42Å; Y183-E187 HydrophobicContact CD2-CB 3.81Å; Y183-E187 HydrophobicContact CE2-CB 4.02Å; Y183-E187 PolarHBondContact O-N 3.09Å; Y183-E187 VanDerWaalsContact O-N 3.15Å; Y183-C188 HydrophobicContact CD1-CB 4.28Å; Y183-C188 HydrophobicContact CE1-CB 3.83Å; Y183-C188 WeakPolarHBondContact O-CB 3.49Å; Y183-C188 PolarHBondContact O-N 2.85Å
184	L	98.6	Very high	98.3	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-69.3	-38.3	-175	-70.5	171.1	0	0	0	112.8	G124 L150 L154 L180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.31Å; L150-L184 HydrophobicContact CD2-CD1 4Å; L154-L184 HydrophobicContact CD2-CD1 4.03Å; L180-L184 WeakPolarHBondContact O-CB 3.32Å; L180-L184 WeakPolarHBondContact O-CG 3.44Å; L180-L184 PolarHBondContact O-N 2.89Å; R181-L184 PolarHBondContact O-N 3.05Å; L184-V189 WeakPolarHBondContact O-CG2 3.42Å
185	E	98.2	Very high	98.3	Very high	90 Å²	90	63.7 Å²	63.7	42%	0.421	29%	0.294	S	S	.	.	H	α-helix	trans	-80	-23	176.5	-70.6	-179.9	161.3	0	0	112.9	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.37Å; L133-E185 HydrophobicContact CD2-CG 3.62Å; L154-E185 HydrophobicContact CD1-CG 4.18Å; R181-E185 HydrophobicContact CG-CG 4.14Å; R181-E185 WeakPolarHBondContact CG-OE2 3.36Å; R181-E185 IonicContact CZ-OE1 3.82Å; R181-E185 IonicContact CZ-OE2 3.59Å; R181-E185 VanDerWaalsContact NE-CD 3.26Å; R181-E185 IonicContact NE-OE1 3.34Å; R181-E185 PolarHBondContact NE-OE1 3.15Å; R181-E185 IonicContact NE-OE2 2.66Å; R181-E185 PolarHBondContact NE-OE2 3.5Å; R181-E185 IonicContact NH2-OE1 3.92Å; R181-E185 PolarHBondContact NH2-OE1 3.48Å; R181-E185 IonicContact NH2-OE2 2.78Å; R181-E185 WeakPolarHBondContact O-CB 3.49Å; R181-E185 PolarHBondContact O-N 3.35Å
186	G	98.1	Very high	98.3	Very high	22 Å²	22	56.9 Å²	56.9	23%	0.227	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-97.2	-177.9	0	0	0	0	0	112.8	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3Å; A182-G186 VanDerWaalsContact O-N 3.09Å; Y183-G186 CarbonylContact O-C 3.5Å; Y183-G186 PolarHBondContact O-N 3.42Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 3.04Å; G186-V189 PolarHBondContact O-N 3.24Å; G186-E190 PolarHBondContact O-N 3.31Å
187	E	98.1	Very high	98.2	Very high	107 Å²	107	61.2 Å²	61.2	50%	0.5	29%	0.288	S	S	.	.	H	α-helix	trans	-52.3	-42.2	-170.2	-69.3	-177.1	-128.3	0	0	113.5	Y183 V189 E190 W191	Y183-E187 HydrophobicContact CD2-CB 3.81Å; Y183-E187 HydrophobicContact CE2-CB 4.02Å; Y183-E187 PolarHBondContact O-N 3.09Å; Y183-E187 VanDerWaalsContact O-N 3.15Å; E187-V189 VanDerWaalsContact C-N 3.35Å; E187-V189 PolarHBondContact O-N 3.43Å; E187-E190 PolarHBondContact O-N 3.42Å; E187-W191 WeakPolarHBondContact O-CB 3.48Å; E187-W191 PolarHBondContact O-N 3Å
188	C	98.6	Very high	98.1	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-58.6	-47.4	179.5	-172.6	0	0	0	0	111.6	M29 C125 Y183 G186 L192	M29-C188 HydrophobicContact CE-CB 4.18Å; M29-C188 WeakPolarHBondContact CE-O 3.47Å; M29-C188 VanDerWaalsContact CE-SG 3.52Å; C125-C188 HydrophobicContact CB-CB 3.95Å; C125-C188 WeakPolarHBondContact CB-SG 3.22Å; C125-C188 PolarHBondContact N-SG 3.39Å; C125-C188 VanDerWaalsContact N-SG 3.35Å; C125-C188 WeakPolarHBondContact SG-CB 3.41Å; C125-C188 PolarHBondContact SG-O 3.44Å; C125-C188 CovalentContact SG-SG 2.05Å; C125-C188 PolarHBondContact SG-SG 3.44Å; Y183-C188 HydrophobicContact CD1-CB 4.28Å; Y183-C188 HydrophobicContact CE1-CB 3.83Å; Y183-C188 WeakPolarHBondContact O-CB 3.49Å; Y183-C188 PolarHBondContact O-N 2.85Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 3.04Å; C188-L192 VanDerWaalsContact O-CB 3.31Å; C188-L192 WeakPolarHBondContact O-CB 3.38Å; C188-L192 PolarHBondContact O-N 2.96Å
189	V	98.6	Very high	98	Very high	7 Å²	7	58.3 Å²	58.3	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-68.1	-40.8	179.7	172.6	0	0	0	0	110.9	C125 V127 G131 L133 L184 G186 E187 L192 R193	C125-V189 HydrophobicContact CB-CG2 4.41Å; V127-V189 HydrophobicContact CG1-CB 4.38Å; V127-V189 HydrophobicContact CG1-CG1 3.96Å; V127-V189 HydrophobicContact CG1-CG2 3.96Å; G131-V189 WeakPolarHBondContact O-CG1 3.23Å; L133-V189 HydrophobicContact CB-CG2 4.02Å; L133-V189 HydrophobicContact CD1-CG2 3.84Å; L184-V189 WeakPolarHBondContact O-CG2 3.42Å; G186-V189 PolarHBondContact O-N 3.24Å; E187-V189 VanDerWaalsContact C-N 3.35Å; E187-V189 PolarHBondContact O-N 3.43Å; V189-L192 PolarHBondContact O-N 2.88Å; V189-R193 VanDerWaalsContact O-CG 3.27Å; V189-R193 WeakPolarHBondContact O-CG 3.45Å; V189-R193 PolarHBondContact O-N 2.91Å
190	E	98.4	Very high	97.8	Very high	128 Å²	128	56.8 Å²	56.8	60%	0.598	27%	0.267	S	S	*	.	H	α-helix	trans	-63.3	-46.6	178.2	-69.9	-179	171.7	0	0	112	G186 E187 R193 R194	G186-E190 PolarHBondContact O-N 3.31Å; E187-E190 PolarHBondContact O-N 3.42Å; E190-R193 PolarHBondContact O-N 3.14Å; E190-R194 PolarHBondContact O-N 2.95Å
191	W	98.4	Very high	97.6	Very high	48 Å²	48	63.4 Å²	63.4	18%	0.182	30%	0.297	C	S	.	.	H	α-helix	trans	-64.8	-44.6	176.1	-80.3	112.6	0	0	0	111.9	M29 Y83 E187 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.04Å; M29-W191 HydrophobicContact SD-CB 4.37Å; Y83-W191 AromaticContact CD2-CH2 3.75Å; Y83-W191 HydrophobicContact CD2-CH2 3.75Å; Y83-W191 HydrophobicContact CD2-CZ2 4.4Å; Y83-W191 AromaticContact CD2-CZ3 3.99Å; Y83-W191 HydrophobicContact CD2-CZ3 3.99Å; Y83-W191 HydrophobicContact CE2-CE3 4.43Å; Y83-W191 HydrophobicContact CE2-CH2 4.08Å; Y83-W191 AromaticContact CE2-CZ3 3.97Å; Y83-W191 HydrophobicContact CE2-CZ3 3.97Å; E187-W191 WeakPolarHBondContact O-CB 3.48Å; E187-W191 PolarHBondContact O-N 3Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 3.25Å; W191-R194 WeakPolarHBondContact O-CB 3.31Å; W191-R194 PolarHBondContact O-N 3.44Å; W191-R194 VanDerWaalsContact O-N 3.15Å; W191-Y195 HydrophobicContact CB-CE2 3.99Å; W191-Y195 HydrophobicContact CE3-CD1 4.46Å; W191-Y195 AromaticContact CE3-CE1 3.51Å; W191-Y195 HydrophobicContact CE3-CE1 3.51Å; W191-Y195 HydrophobicContact CE3-CE2 4.42Å; W191-Y195 AromaticContact CE3-CZ 3.47Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.47Å; W191-Y195 AromaticContact CZ3-CE1 3.98Å; W191-Y195 HydrophobicContact CZ3-CE1 3.98Å; W191-Y195 VanDerWaalsContact O-CD2 3.31Å; W191-Y195 WeakPolarHBondContact O-CD2 3.41Å; W191-Y195 PolarHBondContact O-N 3.05Å
192	L	98.6	Very high	97.3	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-57.8	-45.8	176.7	175.2	52.8	0	0	0	111.3	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.42Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.01Å; M29-L192 HydrophobicContact CB-CD2 4.11Å; M29-L192 HydrophobicContact CB-CG 4.27Å; M29-L192 HydrophobicContact SD-CB 4.48Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; V127-L192 HydrophobicContact CB-CD2 4.34Å; V127-L192 HydrophobicContact CG1-CD2 3.93Å; V127-L192 HydrophobicContact CG2-CD2 3.58Å; V127-L192 HydrophobicContact CG2-CG 4.19Å; C188-L192 VanDerWaalsContact O-CB 3.31Å; C188-L192 WeakPolarHBondContact O-CB 3.38Å; C188-L192 PolarHBondContact O-N 2.96Å; V189-L192 PolarHBondContact O-N 2.88Å; L192-R194 PolarHBondContact O-N 3.06Å; L192-Y195 PolarHBondContact O-N 3.28Å; L192-L196 HydrophobicContact CD1-CD1 3.88Å; L192-L196 HydrophobicContact CD1-CD2 4.4Å; L192-L196 HydrophobicContact CD1-CG 3.87Å; L192-L196 HydrophobicContact CG-CD1 3.99Å; L192-L196 HydrophobicContact CG-CG 4.44Å; L192-L196 WeakPolarHBondContact O-CB 3.27Å; L192-L196 VanDerWaalsContact O-CG 3.26Å; L192-L196 WeakPolarHBondContact O-CG 3.2Å; L192-L196 PolarHBondContact O-N 2.92Å
193	R	97.8	Very high	97.1	Very high	118 Å²	118	57.5 Å²	57.5	45%	0.445	27%	0.265	S	S	.	.	H	α-helix	trans	-60.2	-43.5	175.8	-72.5	173	-176.4	-178.1	4	112.4	G131 V189 E190 W191 L196 E197	G131-R193 PolarHBondContact O-NE 2.92Å; G131-R193 PolarHBondContact O-NH2 3.3Å; V189-R193 VanDerWaalsContact O-CG 3.27Å; V189-R193 WeakPolarHBondContact O-CG 3.45Å; V189-R193 PolarHBondContact O-N 2.91Å; E190-R193 PolarHBondContact O-N 3.14Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 3.25Å; R193-L196 PolarHBondContact O-N 3.03Å; R193-E197 PolarHBondContact O-N 3.29Å
194	R	97.8	Very high	96.8	Very high	120 Å²	120	59.4 Å²	59.4	45%	0.453	28%	0.276	S	S	.	.	H	α-helix	trans	-60.6	-45.1	176	178.7	-179.2	174	113.1	-5.9	111.2	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.89Å; E79-R194 IonicContact OE1-NE 3.79Å; E79-R194 PolarHBondContact OE1-NE 3.35Å; E79-R194 IonicContact OE1-NH2 3.81Å; E79-R194 PolarHBondContact OE1-NH2 2.84Å; E79-R194 VanDerWaalsContact OE1-NH2 3.16Å; E79-R194 IonicContact OE2-CZ 2.97Å; E79-R194 IonicContact OE2-NE 3.56Å; E79-R194 IonicContact OE2-NH2 3.75Å; E79-R194 PolarHBondContact OE2-NH2 3.39Å; E190-R194 PolarHBondContact O-N 2.95Å; W191-R194 WeakPolarHBondContact O-CB 3.31Å; W191-R194 PolarHBondContact O-N 3.44Å; W191-R194 VanDerWaalsContact O-N 3.15Å; L192-R194 PolarHBondContact O-N 3.06Å; R194-E197 PolarHBondContact O-N 3.29Å; R194-N198 VanDerWaalsContact O-CB 3.27Å; R194-N198 WeakPolarHBondContact O-CB 3.26Å; R194-N198 PolarHBondContact O-N 3.17Å; R194-N198 PolarHBondContact O-OD1 3.22Å
195	Y	98.2	Very high	96.5	Very high	1 Å²	1	64.8 Å²	64.8	0%	0.004	30%	0.296	C	S	.	.	H	α-helix	trans	-66	-39.7	178.8	-61.1	-25.9	0	0	0	112.5	M29 V52 F57 W75 I76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.72Å; M29-Y195 HydrophobicContact SD-CE2 3.53Å; M29-Y195 VanDerWaalsContact SD-CE2 3.53Å; V52-Y195 HydrophobicContact CG2-CD2 3.99Å; F57-Y195 HydrophobicContact CE2-CD2 4.26Å; F57-Y195 AromaticContact CE2-CE2 3.69Å; F57-Y195 HydrophobicContact CE2-CE2 3.69Å; F57-Y195 HydrophobicContact CZ-CD2 4.3Å; F57-Y195 AromaticContact CZ-CE2 3.81Å; F57-Y195 HydrophobicContact CZ-CE2 3.81Å; W75-Y195 HydrophobicContact CE3-CD1 4.44Å; W75-Y195 HydrophobicContact CH2-CG 4.18Å; W75-Y195 AromaticContact CZ3-CD1 3.76Å; W75-Y195 HydrophobicContact CZ3-CD1 3.76Å; W75-Y195 HydrophobicContact CZ3-CD2 4.3Å; W75-Y195 AromaticContact CZ3-CG 3.64Å; W75-Y195 HydrophobicContact CZ3-CG 3.64Å; I76-Y195 HydrophobicContact CD1-CD1 3.83Å; I76-Y195 HydrophobicContact CD1-CE1 3.32Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.25Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.49Å; Y83-Y195 PolarHBondContact OH-OH 3.35Å; W191-Y195 HydrophobicContact CB-CE2 3.99Å; W191-Y195 HydrophobicContact CE3-CD1 4.46Å; W191-Y195 AromaticContact CE3-CE1 3.51Å; W191-Y195 HydrophobicContact CE3-CE1 3.51Å; W191-Y195 HydrophobicContact CE3-CE2 4.42Å; W191-Y195 AromaticContact CE3-CZ 3.47Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.47Å; W191-Y195 AromaticContact CZ3-CE1 3.98Å; W191-Y195 HydrophobicContact CZ3-CE1 3.98Å; W191-Y195 VanDerWaalsContact O-CD2 3.31Å; W191-Y195 WeakPolarHBondContact O-CD2 3.41Å; W191-Y195 PolarHBondContact O-N 3.05Å; L192-Y195 PolarHBondContact O-N 3.28Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.81Å; Y195-N198 PolarHBondContact O-N 2.85Å; Y195-G199 WeakPolarHBondContact O-CA 3.47Å; Y195-G199 PolarHBondContact O-N 2.05Å; Y195-L203 WeakPolarHBondContact O-CD1 3.44Å
196	L	97.1	Very high	96.4	Very high	14 Å²	14	61.9 Å²	61.9	7%	0.073	29%	0.288	C	S	.	.	H	α-helix	trans	-63.1	-35.9	175	-71.5	169.8	0	0	0	112.5	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.65Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.39Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.47Å; V52-L196 HydrophobicContact CG1-CD2 4.07Å; L192-L196 HydrophobicContact CD1-CD1 3.88Å; L192-L196 HydrophobicContact CD1-CD2 4.4Å; L192-L196 HydrophobicContact CD1-CG 3.87Å; L192-L196 HydrophobicContact CG-CD1 3.99Å; L192-L196 HydrophobicContact CG-CG 4.44Å; L192-L196 WeakPolarHBondContact O-CB 3.27Å; L192-L196 VanDerWaalsContact O-CG 3.26Å; L192-L196 WeakPolarHBondContact O-CG 3.2Å; L192-L196 PolarHBondContact O-N 2.92Å; R193-L196 PolarHBondContact O-N 3.03Å; L196-K200 WeakPolarHBondContact O-CA 3.19Å; L196-K200 WeakPolarHBondContact O-CB 3.34Å; L196-K200 PolarHBondContact O-N 2.88Å; L196-K200 VanDerWaalsContact O-N 3.11Å; L196-L203 HydrophobicContact CD2-CB 4.05Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; L196-Q204 HydrophobicContact CD2-CG 4.45Å; L196-Q204 PolarHBondContact O-NE2 3Å
197	E	96.8	Very high	96.3	Very high	120 Å²	120	62.7 Å²	62.7	56%	0.561	29%	0.287	S	S	*	.	H	α-helix	trans	-72.5	-48.7	174.7	-172.3	59.2	-153.5	0	0	111.1	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.29Å; R194-E197 PolarHBondContact O-N 3.29Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.81Å; E197-G199 VanDerWaalsContact C-N 3.29Å; E197-G199 PolarHBondContact O-N 2.64Å; E197-K200 WeakPolarHBondContact O-CB 3.04Å; E197-K200 PolarHBondContact O-N 3.21Å
198	N	97.1	Very high	96.3	Very high	52 Å²	52	60.7 Å²	60.7	28%	0.278	28%	0.284	S	S	.	.	H	α-helix	trans	-58.2	-39.8	177.9	-78.2	0.4	0	0	0	112.8	Q78 E79 R194 Y195	Q78-N198 PolarHBondContact NE2-ND2 3.01Å; E79-N198 PolarHBondContact OE1-ND2 3.05Å; R194-N198 VanDerWaalsContact O-CB 3.27Å; R194-N198 WeakPolarHBondContact O-CB 3.26Å; R194-N198 PolarHBondContact O-N 3.17Å; R194-N198 PolarHBondContact O-OD1 3.22Å; Y195-N198 PolarHBondContact O-N 2.85Å
199	G	96.2	Very high	96.3	Very high	4 Å²	4	61.1 Å²	61.1	4%	0.041	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	14.3	-176.1	0	0	0	0	0	114.2	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.47Å; Y195-G199 PolarHBondContact O-N 2.05Å; E197-G199 VanDerWaalsContact C-N 3.29Å; E197-G199 PolarHBondContact O-N 2.64Å; G199-E201 VanDerWaalsContact C-N 3.31Å; G199-E201 PolarHBondContact O-N 3.3Å; G199-E201 VanDerWaalsContact O-N 3.14Å; G199-T202 CarbonylContact O-C 3.58Å; G199-T202 WeakPolarHBondContact O-CA 3.07Å; G199-T202 PolarHBondContact O-N 2.88Å; G199-T202 PolarHBondContact O-OG1 2.91Å; G199-L203 PolarHBondContact O-N 2.8Å
200	K	94.5	Very high	96.3	Very high	106 Å²	106	68.2 Å²	68.2	46%	0.461	32%	0.317	S	S	.	.	H	α-helix	trans	-49.2	-43.1	-169.1	-178.5	174.1	-174.7	172.4	0	115.1	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.19Å; L196-K200 WeakPolarHBondContact O-CB 3.34Å; L196-K200 PolarHBondContact O-N 2.88Å; L196-K200 VanDerWaalsContact O-N 3.11Å; E197-K200 WeakPolarHBondContact O-CB 3.04Å; E197-K200 PolarHBondContact O-N 3.21Å; K200-T202 PolarHBondContact O-N 3.41Å; K200-T202 VanDerWaalsContact O-N 3.17Å; K200-Q204 HydrophobicContact CG-CB 4.45Å; K200-Q204 HydrophobicContact CG-CG 4.48Å; K200-Q204 PolarHBondContact O-N 2.91Å
201	E	92.4	Very high	96.3	Very high	169 Å²	169	63.8 Å²	63.8	79%	0.79	30%	0.298	S	S	*	.	H	α-helix	trans	-62.4	-23.6	179.7	-62.1	-172	162.1	0	0	113.5	G199 R205	G199-E201 VanDerWaalsContact C-N 3.31Å; G199-E201 PolarHBondContact O-N 3.3Å; G199-E201 VanDerWaalsContact O-N 3.14Å; E201-R205 PolarHBondContact O-NH1 3.09Å
202	T	92.7	Very high	96.3	Very high	43 Å²	43	65.3 Å²	65.3	26%	0.264	31%	0.307	S	S	.	.	H	α-helix	trans	-101.5	-68.1	177.5	55.6	0	0	0	0	110.3	G199 K200 Q204 R205 R263	G199-T202 CarbonylContact O-C 3.58Å; G199-T202 WeakPolarHBondContact O-CA 3.07Å; G199-T202 PolarHBondContact O-N 2.88Å; G199-T202 PolarHBondContact O-OG1 2.91Å; K200-T202 PolarHBondContact O-N 3.41Å; K200-T202 VanDerWaalsContact O-N 3.17Å; T202-Q204 VanDerWaalsContact C-N 3.34Å; T202-Q204 PolarHBondContact O-N 3.46Å; T202-R205 WeakPolarHBondContact O-CB 3.31Å; T202-R205 PolarHBondContact O-N 3.28Å; T202-R263 VanDerWaalsContact CA-NH1 3.31Å; T202-R263 VanDerWaalsContact CB-NH1 3.28Å; T202-R263 PolarHBondContact O-NH1 3.38Å; T202-R263 PolarHBondContact O-NH2 3.2Å
203	L	93.9	Very high	96.2	Very high	4 Å²	4	66.4 Å²	66.4	2%	0.021	31%	0.314	C	S	.	.	H	α-helix	trans	-62.9	-33.6	-167.4	-61.9	172.5	0	0	0	113.9	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.29Å; V52-L203 HydrophobicContact CB-CD2 4.16Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CG1-CG 4.49Å; T55-L203 HydrophobicContact CG2-CD2 4.1Å; W75-L203 HydrophobicContact CD2-CD1 4.4Å; W75-L203 HydrophobicContact CH2-CD1 4.36Å; W75-L203 HydrophobicContact CZ2-CD1 3.83Å; W75-L203 HydrophobicContact CZ2-CD2 4.15Å; W75-L203 HydrophobicContact CZ2-CG 4.41Å; Y195-L203 WeakPolarHBondContact O-CD1 3.44Å; L196-L203 HydrophobicContact CD2-CB 4.05Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; G199-L203 PolarHBondContact O-N 2.8Å; L203-R205 VanDerWaalsContact C-N 3.33Å
204	Q	92.6	Very high	96.2	Very high	92 Å²	92	62.4 Å²	62.4	43%	0.43	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	14.8	179.4	-58.7	-178.3	35.3	0	0	112.7	L196 K200 T202	L196-Q204 HydrophobicContact CD2-CG 4.45Å; L196-Q204 PolarHBondContact O-NE2 3Å; K200-Q204 HydrophobicContact CG-CB 4.45Å; K200-Q204 HydrophobicContact CG-CG 4.48Å; K200-Q204 PolarHBondContact O-N 2.91Å; T202-Q204 VanDerWaalsContact C-N 3.34Å; T202-Q204 PolarHBondContact O-N 3.46Å
205	R	93.5	Very high	96.2	Very high	115 Å²	115	59.1 Å²	59.1	43%	0.434	29%	0.292	S	S	.	.			trans	-109.8	116.8	177.6	-170	-177	77.8	-141.4	4.4	110.1	E201 T202 L203 D207 Y233	E201-R205 PolarHBondContact O-NH1 3.09Å; T202-R205 WeakPolarHBondContact O-CB 3.31Å; T202-R205 PolarHBondContact O-N 3.28Å; L203-R205 VanDerWaalsContact C-N 3.33Å; R205-D207 IonicContact CZ-OD1 3.57Å; R205-D207 IonicContact CZ-OD2 3.62Å; R205-D207 IonicContact NE-OD1 3.59Å; R205-D207 PolarHBondContact NE-OD1 3.43Å; R205-D207 IonicContact NE-OD2 3.49Å; R205-D207 IonicContact NH2-OD1 2.73Å; R205-D207 IonicContact NH2-OD2 3.55Å; R205-D207 PolarHBondContact NH2-OD2 2.9Å; R205-Y233 VanDerWaalsContact O-CD1 3.31Å; R205-Y233 WeakPolarHBondContact O-CD1 3.41Å
206	A	95.5	Very high	96	Very high	30 Å²	30	63 Å²	63	25%	0.248	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-85.8	125.9	167.1	0	0	0	0	0	110.2	Y233 E288	A206-Y233 CarbonylContact C-O 3.6Å; A206-Y233 VanDerWaalsContact CA-O 3.25Å; A206-Y233 WeakPolarHBondContact CA-O 3.3Å; A206-E288 HydrophobicContact CB-CB 4.34Å; A206-E288 HydrophobicContact CB-CG 4.33Å
207	D	96.8	Very high	95.9	Very high	38 Å²	38	67.1 Å²	67.1	20%	0.203	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-99.9	116.8	175.3	-67.7	-33.4	0	0	0	107.7	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD1 3.57Å; R205-D207 IonicContact CZ-OD2 3.62Å; R205-D207 IonicContact NE-OD1 3.59Å; R205-D207 PolarHBondContact NE-OD1 3.43Å; R205-D207 IonicContact NE-OD2 3.49Å; R205-D207 IonicContact NH2-OD1 2.73Å; R205-D207 IonicContact NH2-OD2 3.55Å; R205-D207 PolarHBondContact NH2-OD2 2.9Å; D207-F232 CarbonylContact O-C 3.56Å; D207-F232 WeakPolarHBondContact O-CA 3.48Å; D207-F232 WeakPolarHBondContact O-CB 3.3Å; D207-Y233 PolarHBondContact N-O 3.07Å; D207-Y233 PolarHBondContact O-N 2.98Å; D207-H287 PolarHBondContact O-CE1 3.31Å
208	P	97.8	Very high	95.7	Very high	66 Å²	66	66.1 Å²	66.1	43%	0.429	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-70.8	150.1	-175.4	25.2	-32.9	0	0	0	112.8	L290	P208-L290 HydrophobicContact CB-CD2 3.92Å; P208-L290 HydrophobicContact CB-CG 4.46Å
209	P	98.3	Very high	95.5	Very high	9 Å²	9	66.1 Å²	66.1	6%	0.058	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-67.4	135.2	179	28.1	-35.3	0	0	0	112.4	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.97Å; P209-T211 HydrophobicContact CG-CG2 4.14Å; P209-T211 PolarHBondContact O-N 3.44Å; P209-A229 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CB 3.84Å; P209-F232 HydrophobicContact CB-CD1 3.91Å; P209-F232 HydrophobicContact CB-CG 4.14Å; P209-I237 HydrophobicContact CB-CD1 4.05Å; P209-I237 HydrophobicContact CG-CD1 4.1Å; P209-V285 HydrophobicContact CG-CG1 3.96Å; P209-H287 HydrophobicContact CG-CB 4.03Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.2Å
210	K	98.4	Very high	95.2	Very high	156 Å²	156	73 Å²	73	68%	0.678	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	108.9	163.7	-64.1	171.3	-173.4	167.9	0	108.1	L230	K210-L230 PolarHBondContact N-O 2.81Å; K210-L230 PolarHBondContact O-N 3.4Å
211	T	98.3	Very high	95.2	Very high	34 Å²	34	74.9 Å²	74.9	21%	0.209	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	140.7	-171.8	54	0	0	0	0	112.8	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.97Å; P209-T211 HydrophobicContact CG-CG2 4.14Å; P209-T211 PolarHBondContact O-N 3.44Å; T211-W228 WeakPolarHBondContact CA-O 3.22Å; T211-A229 HydrophobicContact CG2-CB 4.33Å; T211-V285 HydrophobicContact CG2-CB 4.35Å; T211-V285 HydrophobicContact CG2-CG1 4.09Å; T211-V285 HydrophobicContact CG2-CG2 3.99Å; T211-L294 HydrophobicContact CG2-CD1 4.26Å; T211-L296 HydrophobicContact CG2-CD1 4.43Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.29Å
212	H	97.4	Very high	95.3	Very high	81 Å²	81	71.2 Å²	71.2	38%	0.375	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	159.9	171.1	64	-76.1	0	0	0	110.8	W228	H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.4Å; H212-W228 AromaticContact CE1-CD1 3.95Å; H212-W228 AromaticContact CE1-CG 3.69Å; H212-W228 PolarHBondContact N-O 3.13Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 3.18Å
213	V	98.3	Very high	95.5	Very high	22 Å²	22	69.2 Å²	69.2	13%	0.133	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.4	176.5	-179.1	0	0	0	0	109.4	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.4Å; V213-L225 HydrophobicContact CG1-CD2 4.4Å; V213-R226 CarbonylContact C-O 3.54Å; V213-R226 WeakPolarHBondContact CA-O 3.44Å; V213-C227 HydrophobicContact CG2-CB 4.42Å; V213-W241 HydrophobicContact CG1-CH2 3.88Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.29Å; V213-L296 HydrophobicContact CG2-CB 3.8Å; V213-W298 HydrophobicContact CG1-CB 3.84Å
214	T	97.1	Very high	95.7	Very high	34 Å²	34	70 Å²	70	21%	0.209	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	147.5	174.6	51.8	0	0	0	0	110.4	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 2.72Å; T214-H216 VanDerWaalsContact OG1-CE1 3.31Å; T214-L225 WeakPolarHBondContact O-CA 3.44Å; T214-R226 PolarHBondContact N-O 3.29Å; T214-R226 PolarHBondContact O-N 3.03Å; T214-R226 WeakPolarHBondContact OG1-CB 3.43Å; T214-R226 PolarHBondContact OG1-O 3.07Å; T214-W228 PolarHBondContact OG1-NE1 3.04Å
215	H	96.5	Very high	96	Very high	52 Å²	52	65.7 Å²	65.7	24%	0.241	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126	-178.8	170.2	-89.8	0	0	0	109.7	A223 T224 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.49Å; H215-T224 WeakPolarHBondContact CA-O 3.37Å; H215-L225 HydrophobicContact CB-CD2 4Å; H215-E278 IonicContact NE2-OE1 2.81Å; H215-W298 HydrophobicContact CB-CD2 4.06Å; H215-W298 VanDerWaalsContact CB-CE2 3.5Å; H215-W298 HydrophobicContact CB-CG 4.12Å; H215-W298 HydrophobicContact CB-CZ2 3.98Å; H215-W298 VanDerWaalsContact CB-NE1 3.25Å; H215-W298 AromaticContact CG-CE2 3.74Å; H215-W298 AromaticContact CG-CZ2 3.76Å; H215-W298 AromaticContact ND1-CZ2 3.96Å
216	H	95	Very high	96.2	Very high	82 Å²	82	62.6 Å²	62.6	38%	0.38	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	105.7	-178.9	-58.2	83.6	0	0	0	109.1	T214 I218 A223 T224	T214-H216 PolarHBondContact OG1-CE1 2.72Å; T214-H216 VanDerWaalsContact OG1-CE1 3.31Å; H216-I218 PolarHBondContact O-N 2.71Å; H216-A223 CarbonylContact O-C 3.57Å; H216-A223 WeakPolarHBondContact O-CA 3.06Å; H216-T224 PolarHBondContact N-O 2.81Å; H216-T224 PolarHBondContact O-N 2.85Å
217	P	94.6	Very high	96.3	Very high	100 Å²	100	61.2 Å²	61.2	65%	0.649	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	132.6	173.6	-20.3	30.6	0	0	0	111
218	I	92.8	Very high	96.4	Very high	99 Å²	99	61.7 Å²	61.7	51%	0.508	32%	0.317	S	S	.	.			trans	-101.2	-44.6	173.9	-52	172.9	0	0	0	109.4	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 2.71Å; I218-E222 PolarHBondContact N-O 3.22Å; I218-T224 VanDerWaalsContact CD1-OG1 3.3Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.37Å; I218-V272 HydrophobicContact CD1-CG1 3.96Å; I218-V272 HydrophobicContact CD1-CG2 4.07Å
219	S	93.3	Very high	96.5	Very high	52 Å²	52	58.6 Å²	58.6	36%	0.364	30%	0.296	S	S	.	.	S	Bend	trans	-147.8	-178.7	178.5	72.5	0	0	0	0	110.3	H221 E222	S219-H221 PolarHBondContact O-N 3.03Å; S219-H221 PolarHBondContact OG-N 3.37Å; S219-H221 VanDerWaalsContact OG-N 3.17Å; S219-E222 PolarHBondContact N-O 2.84Å; S219-E222 VanDerWaalsContact N-O 3.08Å; S219-E222 VanDerWaalsContact O-O 3.12Å; S219-E222 PolarHBondContact OG-N 2.88Å
220	D	90.4	Very high	96.5	Very high	150 Å²	150	60.7 Å²	60.7	80%	0.802	31%	0.307	S	S	*	.	S	Bend	trans	-62.7	-19.7	172.9	-65.3	-20.8	0	0	0	112.6	S275	D220-S275 PolarHBondContact O-OG 3.48Å
221	H	93.4	Very high	96.4	Very high	144 Å²	144	54.3 Å²	54.3	67%	0.667	29%	0.285	S	S	*	.	S	Bend	trans	-106.3	-16.6	-173.7	-55.1	-48	0	0	0	114	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.03Å; S219-H221 PolarHBondContact OG-N 3.37Å; S219-H221 VanDerWaalsContact OG-N 3.17Å; H221-P274 CarbonylContact O-C 3.58Å; H221-P274 WeakPolarHBondContact O-CA 3.47Å; H221-S275 PolarHBondContact O-N 2.87Å; H221-S275 PolarHBondContact O-OG 2.87Å
222	E	95.6	Very high	96.4	Very high	92 Å²	92	52.7 Å²	52.7	43%	0.43	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	146.5	-171.3	-66.1	-179.6	166.6	0	0	112.7	I218 S219 V272 V273 S275	I218-E222 PolarHBondContact N-O 3.22Å; S219-E222 PolarHBondContact N-O 2.84Å; S219-E222 VanDerWaalsContact N-O 3.08Å; S219-E222 VanDerWaalsContact O-O 3.12Å; S219-E222 PolarHBondContact OG-N 2.88Å; E222-V272 HydrophobicContact CB-CG1 4.05Å; E222-V272 HydrophobicContact CG-CG1 4.3Å; E222-V273 VanDerWaalsContact CA-O 3.31Å; E222-V273 WeakPolarHBondContact CA-O 3.39Å; E222-S275 PolarHBondContact N-OG 3.12Å
223	A	96.4	Very high	96.4	Very high	1 Å²	1	49 Å²	49	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	154.8	172.3	0	0	0	0	0	111.2	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.49Å; H216-A223 CarbonylContact O-C 3.57Å; H216-A223 WeakPolarHBondContact O-CA 3.06Å; A223-V272 WeakPolarHBondContact O-CA 3.3Å; A223-V273 PolarHBondContact N-O 3.11Å; A223-V273 PolarHBondContact O-N 3.33Å
224	T	97.8	Very high	96.3	Very high	22 Å²	22	48.8 Å²	48.8	14%	0.135	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.1	168.6	-52.3	0	0	0	0	109.9	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.37Å; H216-T224 PolarHBondContact N-O 2.81Å; H216-T224 PolarHBondContact O-N 2.85Å; I218-T224 VanDerWaalsContact CD1-OG1 3.3Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.37Å; T224-A270 HydrophobicContact CG2-CB 3.86Å; T224-V271 WeakPolarHBondContact CA-O 3.17Å
225	L	98.2	Very high	96.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	125.1	162.3	-64	-175.6	0	0	0	109.1	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.4Å; V213-L225 HydrophobicContact CG1-CD2 4.4Å; T214-L225 WeakPolarHBondContact O-CA 3.44Å; H215-L225 HydrophobicContact CB-CD2 4Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.78Å; L225-W241 HydrophobicContact CB-CZ3 4.46Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.19Å; L225-A270 CarbonylContact O-C 3.43Å; L225-A270 WeakPolarHBondContact O-CA 3.45Å; L225-V271 HydrophobicContact CB-CG1 4.25Å; L225-V271 PolarHBondContact N-O 2.98Å; L225-V271 PolarHBondContact O-N 3.09Å; L225-V273 HydrophobicContact CD1-CG1 4Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.14Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; L225-E278 HydrophobicContact CD1-CB 4.08Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.31Å; L225-W298 HydrophobicContact CD1-CB 4.42Å; L225-W298 HydrophobicContact CD2-CB 3.8Å; L225-W298 HydrophobicContact CD2-CD2 4.39Å; L225-W298 HydrophobicContact CD2-CG 3.96Å
226	R	98.4	Very high	96.4	Very high	51 Å²	51	51 Å²	51	19%	0.192	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	116.6	176.4	-176.8	180	-64.5	114.6	2.5	110.4	V213 T214 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.54Å; V213-R226 WeakPolarHBondContact CA-O 3.44Å; T214-R226 PolarHBondContact N-O 3.29Å; T214-R226 PolarHBondContact O-N 3.03Å; T214-R226 WeakPolarHBondContact OG1-CB 3.43Å; T214-R226 PolarHBondContact OG1-O 3.07Å; R226-W228 VanDerWaalsContact CD-CE2 3.45Å; R226-W228 VanDerWaalsContact CD-CZ2 3.44Å; R226-W228 HydrophobicContact CG-CZ2 4.44Å; R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.1Å; R226-W268 HydrophobicContact CG-CE3 3.87Å; R226-W268 HydrophobicContact CG-CG 4.2Å; R226-A269 WeakPolarHBondContact CA-O 3.32Å; R226-A270 HydrophobicContact CB-CB 4.04Å; R226-A270 HydrophobicContact CG-CB 4.11Å
227	C	98.4	Very high	96.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	122.1	175	-172.5	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.42Å; C227-W241 HydrophobicContact CB-CH2 4.49Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; C227-W268 CarbonylContact O-C 3.51Å; C227-W268 WeakPolarHBondContact O-CA 3.25Å; C227-W268 WeakPolarHBondContact O-CB 3.18Å; C227-A269 PolarHBondContact N-O 3.48Å; C227-A269 PolarHBondContact O-N 3.01Å; C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.28Å; C227-C283 WeakPolarHBondContact SG-CB 3.1Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.28Å
228	W	98.6	Very high	96.6	Very high	49 Å²	49	45 Å²	45	19%	0.186	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	141.8	179.8	-69.9	89.3	0	0	0	110.5	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.22Å; H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.4Å; H212-W228 AromaticContact CE1-CD1 3.95Å; H212-W228 AromaticContact CE1-CG 3.69Å; H212-W228 PolarHBondContact N-O 3.13Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 3.18Å; T214-W228 PolarHBondContact OG1-NE1 3.04Å; R226-W228 VanDerWaalsContact CD-CE2 3.45Å; R226-W228 VanDerWaalsContact CD-CZ2 3.44Å; R226-W228 HydrophobicContact CG-CZ2 4.44Å; W228-L230 HydrophobicContact CE3-CD2 3.88Å; W228-L230 HydrophobicContact CZ3-CD2 4.41Å; W228-W268 HydrophobicContact CD2-CB 3.98Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.93Å; W228-W268 AromaticContact CE3-CD1 3.9Å; W228-W268 HydrophobicContact CE3-CG 4.23Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.68Å; W228-W268 HydrophobicContact CH2-CG 4.33Å; W228-W268 HydrophobicContact CZ3-CB 4.37Å; W228-W268 AromaticContact CZ3-CD1 3.46Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.46Å; W228-W268 HydrophobicContact CZ3-CG 4.17Å
229	A	98.6	Very high	96.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	123.2	162.5	0	0	0	0	0	107.7	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.86Å; T211-A229 HydrophobicContact CG2-CB 4.33Å; A229-F232 HydrophobicContact CB-CD1 4.08Å; A229-F232 HydrophobicContact CB-CE1 3.84Å; A229-F232 WeakPolarHBondContact O-CE1 2.81Å; A229-I237 HydrophobicContact CB-CD1 3.68Å; A229-L239 HydrophobicContact CB-CD1 4.04Å; A229-L239 HydrophobicContact CB-CD2 4.17Å; A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.06Å; A229-K267 PolarHBondContact N-O 3.13Å; A229-K267 PolarHBondContact O-N 3.14Å; A229-K267 VanDerWaalsContact O-O 3.1Å
230	L	98.5	Very high	97.1	Very high	53 Å²	53	39.9 Å²	39.9	28%	0.277	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	147.9	-174.6	-59.3	177.4	0	0	0	111.1	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 2.81Å; K210-L230 PolarHBondContact O-N 3.4Å; W228-L230 HydrophobicContact CE3-CD2 3.88Å; W228-L230 HydrophobicContact CZ3-CD2 4.41Å; L230-F232 PolarHBondContact O-N 2.88Å; L230-Q266 HydrophobicContact CD2-CB 3.53Å
231	G	97.9	Very high	97.4	Very high	22 Å²	22	32.9 Å²	32.9	23%	0.227	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.6	29.6	167.5	0	0	0	0	0	114.1	F265	G231-F265 PolarHBondContact N-O 3.33Å
232	F	98.2	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	155.4	-179.1	59.4	-89.3	0	0	0	112.8	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 CarbonylContact O-C 3.56Å; D207-F232 WeakPolarHBondContact O-CA 3.48Å; D207-F232 WeakPolarHBondContact O-CB 3.3Å; P209-F232 HydrophobicContact CB-CB 3.84Å; P209-F232 HydrophobicContact CB-CD1 3.91Å; P209-F232 HydrophobicContact CB-CG 4.14Å; A229-F232 HydrophobicContact CB-CD1 4.08Å; A229-F232 HydrophobicContact CB-CE1 3.84Å; A229-F232 WeakPolarHBondContact O-CE1 2.81Å; L230-F232 PolarHBondContact O-N 2.88Å; F232-P234 WeakPolarHBondContact CD2-O 3.27Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.29Å; F232-I237 HydrophobicContact CD2-CD1 3.95Å; F232-I237 HydrophobicContact CE1-CD1 3.77Å; F232-I237 HydrophobicContact CE1-CG2 4.49Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.87Å; F232-I237 HydrophobicContact CE2-CG1 4.39Å; F232-I237 HydrophobicContact CE2-CG2 3.61Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.8Å; F232-I237 HydrophobicContact CZ-CG2 3.58Å; F232-T257 HydrophobicContact CE2-CG2 4.13Å; F232-T257 HydrophobicContact CZ-CG2 3.96Å; F232-T264 CarbonylContact O-C 3.58Å; F232-T264 WeakPolarHBondContact O-CA 3.27Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.41Å; F232-F265 HydrophobicContact CD2-CB 3.95Å; F232-F265 HydrophobicContact CE1-CB 4.25Å; F232-F265 WeakPolarHBondContact CE1-O 3.4Å; F232-F265 HydrophobicContact CE2-CB 3.48Å; F232-F265 VanDerWaalsContact CE2-CB 3.48Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.63Å; F232-F265 PolarHBondContact N-O 2.89Å; F232-F265 PolarHBondContact O-N 3.33Å; F232-K267 HydrophobicContact CE1-CB 4.4Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.7Å
233	Y	97.1	Very high	97.8	Very high	4 Å²	4	27 Å²	27	2%	0.016	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-150.5	136.9	171.8	177	-84.7	0	0	0	109	D54 T55 R205 A206 D207 R263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.91Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.43Å; T55-Y233 PolarHBondContact OG1-OH 2.8Å; R205-Y233 VanDerWaalsContact O-CD1 3.31Å; R205-Y233 WeakPolarHBondContact O-CD1 3.41Å; A206-Y233 CarbonylContact C-O 3.6Å; A206-Y233 VanDerWaalsContact CA-O 3.25Å; A206-Y233 WeakPolarHBondContact CA-O 3.3Å; D207-Y233 PolarHBondContact N-O 3.07Å; D207-Y233 PolarHBondContact O-N 2.98Å; Y233-R263 HydrophobicContact CD2-CG 3.98Å; Y233-R263 HydrophobicContact CE2-CG 4.18Å; Y233-R263 PolarHBondContact OH-NH2 3.06Å; Y233-F265 HydrophobicContact CD2-CE2 4.08Å; Y233-H287 PolarHBondContact O-CE1 3.34Å
234	P	96.4	Very high	97.7	Very high	17 Å²	17	31.7 Å²	31.7	11%	0.11	16%	0.163	C	C	.	.	S	Bend	cis	-71.7	179	2.3	30.4	-36.5	0	0	0	113.4	D54 F232 E236 H287 E288	D54-P234 WeakPolarHBondContact OD2-CB 3.48Å; F232-P234 WeakPolarHBondContact CD2-O 3.27Å; P234-E236 VanDerWaalsContact C-N 3.33Å; P234-H287 PolarHBondContact O-NE2 3.01Å; P234-E288 WeakPolarHBondContact CG-OE2 3.44Å
235	A	97.3	Very high	97.4	Very high	15 Å²	15	33 Å²	33	12%	0.124	18%	0.181	C	C	.	.	S	Bend	trans	-70	-27.2	-175.9	0	0	0	0	0	113.6	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.34Å; D54-A235 WeakPolarHBondContact OD2-CB 3.46Å; D54-A235 PolarHBondContact OD2-N 3.19Å; A235-I237 PolarHBondContact O-N 2.79Å; A235-T257 HydrophobicContact CB-CG2 4.29Å; A235-T257 WeakPolarHBondContact O-CG2 3.26Å; A235-F265 HydrophobicContact CB-CD1 3.75Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.68Å; A235-F265 HydrophobicContact CB-CE2 3.65Å; A235-F265 HydrophobicContact CB-CG 3.76Å; A235-F265 HydrophobicContact CB-CZ 3.66Å
236	E	96.7	Very high	97.3	Very high	118 Å²	118	39.9 Å²	39.9	55%	0.551	21%	0.213	S	C	*	.			trans	-62.3	120.4	178.5	-171.4	56.5	-142.4	0	0	109.8	W23 P234 H287	W23-E236 HydrophobicContact CH2-CB 4.37Å; W23-E236 HydrophobicContact CH2-CG 3.65Å; W23-E236 HydrophobicContact CZ2-CG 3.82Å; W23-E236 HydrophobicContact CZ3-CB 4.38Å; W23-E236 HydrophobicContact CZ3-CG 4.07Å; W23-E236 VanDerWaalsContact CZ3-O 3.29Å; W23-E236 WeakPolarHBondContact CZ3-O 3.1Å; P234-E236 VanDerWaalsContact C-N 3.33Å; E236-H287 PolarHBondContact O-CD2 2.78Å
237	I	97.4	Very high	97.2	Very high	10 Å²	10	42 Å²	42	5%	0.051	23%	0.228	C	C	.	.			trans	-155.9	141.7	-177.6	-163.4	171.7	0	0	0	109.3	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.05Å; P209-I237 HydrophobicContact CG-CD1 4.1Å; A229-I237 HydrophobicContact CB-CD1 3.68Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.29Å; F232-I237 HydrophobicContact CD2-CD1 3.95Å; F232-I237 HydrophobicContact CE1-CD1 3.77Å; F232-I237 HydrophobicContact CE1-CG2 4.49Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.87Å; F232-I237 HydrophobicContact CE2-CG1 4.39Å; F232-I237 HydrophobicContact CE2-CG2 3.61Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.8Å; F232-I237 HydrophobicContact CZ-CG2 3.58Å; A235-I237 PolarHBondContact O-N 2.79Å; I237-L239 HydrophobicContact CB-CD1 4.46Å; I237-L239 HydrophobicContact CD1-CD1 3.64Å; I237-L239 HydrophobicContact CG1-CD1 3.64Å; I237-L239 HydrophobicContact CG2-CD1 4.08Å; I237-K267 HydrophobicContact CG2-CB 4.26Å; I237-K267 HydrophobicContact CG2-CD 3.6Å; I237-V285 HydrophobicContact CD1-CG1 4.05Å; I237-V285 HydrophobicContact CG1-CG1 4.36Å; I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.25Å; I237-H287 HydrophobicContact CD1-CB 4.36Å; I237-H287 HydrophobicContact CG1-CB 4.11Å
238	T	97.8	Very high	97	Very high	45 Å²	45	43.2 Å²	43.2	28%	0.276	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.2	174	-61	0	0	0	0	110.5	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.04Å; T238-V285 WeakPolarHBondContact O-CA 3.28Å; T238-Q286 PolarHBondContact N-O 2.87Å; T238-Q286 PolarHBondContact O-N 2.88Å
239	L	97.9	Very high	96.5	Very high	7 Å²	7	46 Å²	46	4%	0.037	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122.4	173	-86.6	63.7	0	0	0	108.7	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.04Å; A229-L239 HydrophobicContact CB-CD2 4.17Å; I237-L239 HydrophobicContact CB-CD1 4.46Å; I237-L239 HydrophobicContact CD1-CD1 3.64Å; I237-L239 HydrophobicContact CG1-CD1 3.64Å; I237-L239 HydrophobicContact CG2-CD1 4.08Å; L239-L254 HydrophobicContact CB-CD1 4.17Å; L239-K267 HydrophobicContact CD1-CD 4.34Å; L239-K267 HydrophobicContact CD2-CB 4.37Å; L239-K267 HydrophobicContact CD2-CG 4.46Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; L239-H284 WeakPolarHBondContact CA-O 3.37Å; L239-V285 HydrophobicContact CD1-CG1 4.11Å; L239-V285 HydrophobicContact CG-CG2 4.33Å
240	T	97.8	Very high	96.1	Very high	38 Å²	38	55.2 Å²	55.2	23%	0.233	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	147.2	175.9	59.1	0	0	0	0	111.7	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.04Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.17Å; T240-H284 PolarHBondContact N-O 3.44Å; T240-H284 PolarHBondContact O-N 2.91Å
241	W	98.3	Very high	95.6	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.008	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	137.5	168.6	-82.5	105.4	0	0	0	110	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.88Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.29Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.78Å; L225-W241 HydrophobicContact CB-CZ3 4.46Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.19Å; C227-W241 HydrophobicContact CB-CH2 4.49Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; W241-Q248 HydrophobicContact CB-CB 4.24Å; W241-Q248 PolarHBondContact O-N 2.87Å; W241-A269 PolarHBondContact NE1-O 2.91Å; W241-V271 HydrophobicContact CB-CG1 4.38Å; W241-V271 HydrophobicContact CD2-CG1 3.64Å; W241-V271 HydrophobicContact CE3-CG1 4.05Å; W241-V271 HydrophobicContact CG-CB 4.19Å; W241-V271 HydrophobicContact CG-CG1 3.8Å; W241-V271 HydrophobicContact CZ2-CG1 4.38Å; W241-T282 WeakPolarHBondContact CA-O 3.15Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; W241-C283 HydrophobicContact CD2-CB 4.17Å; W241-C283 HydrophobicContact CE3-CB 4.09Å; W241-C283 HydrophobicContact CH2-CB 3.98Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.99Å
242	Q	98	Very high	95.5	Very high	42 Å²	42	58 Å²	58	20%	0.196	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	145.8	171.2	-70.1	-174.5	-6.1	0	0	110.3	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.35Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.43Å; Q242-D247 PolarHBondContact NE2-OD1 3.17Å; Q242-Y281 CarbonylContact O-C 3.54Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.49Å; Q242-T282 PolarHBondContact N-O 3.38Å; Q242-T282 PolarHBondContact O-N 3.48Å; Q242-H284 PolarHBondContact OE1-NE2 3.45Å
243	R	97.4	Very high	95.4	Very high	71 Å²	71	63.5 Å²	63.5	27%	0.268	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	118	168.2	-176.7	-173.1	-175.8	179.7	0.2	108.2	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.18Å; R243-E246 PolarHBondContact N-O 3.29Å; R243-E246 PolarHBondContact O-N 3.11Å; R243-Q248 HydrophobicContact CB-CG 4Å; R243-E277 IonicContact CZ-OE2 3.11Å; R243-E277 IonicContact NE-OE2 3.4Å; R243-E277 IonicContact NH2-OE1 2.62Å; R243-E277 IonicContact NH2-OE2 2.82Å; R243-E277 PolarHBondContact NH2-OE2 3.2Å; R243-R280 WeakPolarHBondContact CA-O 3.35Å; R243-R280 HydrophobicContact CG-CB 4.39Å; R243-Y281 HydrophobicContact CB-CD1 4.12Å; R243-Y281 HydrophobicContact CB-CE1 3.91Å; R243-Y281 HydrophobicContact CG-CD2 4.48Å; R243-Y281 HydrophobicContact CG-CE1 4.14Å; R243-Y281 HydrophobicContact CG-CE2 4.08Å
244	D	95.5	Very high	95.4	Very high	100 Å²	100	67.4 Å²	67.4	54%	0.535	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	28.7	-175.4	-53.6	-50	0	0	0	114.3	R280	D244-R280 PolarHBondContact N-O 2.82Å; D244-R280 IonicContact OD1-NE 3.52Å; D244-R280 PolarHBondContact OD1-NE 2.83Å; D244-R280 IonicContact OD2-CZ 3.85Å; D244-R280 IonicContact OD2-NE 3.81Å; D244-R280 PolarHBondContact OD2-NE 3.23Å; D244-R280 IonicContact OD2-NH2 3.61Å; D244-R280 PolarHBondContact OD2-NH2 3.23Å
245	G	91.7	Very high	95.4	Very high	50 Å²	50	68.2 Å²	68.2	52%	0.515	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	-0.7	-177.6	0	0	0	0	0	115.6	R243	R243-G245 PolarHBondContact O-N 3.18Å
246	E	95.6	Very high	95.4	Very high	144 Å²	144	75.1 Å²	75.1	67%	0.673	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	127.1	176.3	-62.7	-173.6	171.5	0	0	111.7	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.35Å; R243-E246 PolarHBondContact N-O 3.29Å; R243-E246 PolarHBondContact O-N 3.11Å; E246-Q248 PolarHBondContact O-NE2 3.31Å
247	D	95.3	Very high	95.5	Very high	96 Å²	96	71.5 Å²	71.5	51%	0.513	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	134.4	-179.3	-69.5	-28.2	0	0	0	112.3	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.43Å; Q242-D247 PolarHBondContact NE2-OD1 3.17Å
248	Q	95	Very high	95.5	Very high	25 Å²	25	75.7 Å²	75.7	12%	0.117	39%	0.392	C	S	.	.			trans	-104.6	37.7	-177.5	-57.7	-61.2	-70.6	0	0	112	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.24Å; W241-Q248 PolarHBondContact O-N 2.87Å; R243-Q248 HydrophobicContact CB-CG 4Å; E246-Q248 PolarHBondContact O-NE2 3.31Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.01Å; Q248-D251 PolarHBondContact O-N 2.86Å; Q248-T252 VanDerWaalsContact O-CB 3.32Å; Q248-T252 WeakPolarHBondContact O-CB 3.39Å; Q248-T252 PolarHBondContact O-N 3.15Å; Q248-T252 PolarHBondContact O-OG1 2.9Å; Q248-Y281 HydrophobicContact CG-CE1 4.34Å
249	T	89.1	Confident	95.5	Very high	106 Å²	106	78 Å²	78	65%	0.65	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-37.2	-169.2	-48.8	0	0	0	0	113.9
250	Q	90	Very high	95.4	Very high	194 Å²	194	80.1 Å²	80.1	91%	0.907	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-30.5	-178.5	-67.3	-174.4	-1.9	0	0	113.2	Q248	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.01Å
251	D	88.1	Confident	95.2	Very high	110 Å²	110	81.9 Å²	81.9	59%	0.588	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	1.2	-177.7	-56.4	-55	0	0	0	112.5	Q248	Q248-D251 PolarHBondContact O-N 2.86Å
252	T	94.9	Very high	95	Very high	24 Å²	24	86.9 Å²	86.9	15%	0.147	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	120.1	179.9	-64	0	0	0	0	110.7	Q248 L254 A269 A270	Q248-T252 VanDerWaalsContact O-CB 3.32Å; Q248-T252 WeakPolarHBondContact O-CB 3.39Å; Q248-T252 PolarHBondContact O-N 3.15Å; Q248-T252 PolarHBondContact O-OG1 2.9Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 3.05Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; T252-A270 CarbonylContact C-O 3.57Å; T252-A270 VanDerWaalsContact CA-O 3.3Å; T252-A270 WeakPolarHBondContact CA-O 3.2Å
253	E	96.9	Very high	94.7	Very high	115 Å²	115	87.8 Å²	87.8	54%	0.537	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	106.5	163.4	-173.7	-174.2	-171.3	0	0	108.8	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.88Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.47Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.31Å; E253-A269 CarbonylContact O-C 3.53Å; E253-A269 WeakPolarHBondContact O-CA 3.48Å; E253-A270 HydrophobicContact CB-CB 4.41Å; E253-A270 PolarHBondContact N-O 3.02Å; E253-A270 PolarHBondContact O-N 3.39Å
254	L	97.1	Very high	94.7	Very high	87 Å²	87	85.2 Å²	85.2	46%	0.455	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120.3	177.9	-174.3	67.8	0	0	0	109.7	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.17Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 3.05Å; L254-K267 HydrophobicContact CD1-CD 4.43Å; L254-A269 HydrophobicContact CD1-CB 3.66Å
255	V	96.8	Very high	94.9	Very high	33 Å²	33	81.6 Å²	81.6	20%	0.2	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-85.2	154	174.9	-64.9	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 VanDerWaalsContact O-CE 3.27Å; V255-K267 WeakPolarHBondContact O-CE 3.44Å; V255-K267 WeakPolarHBondContact O-CG 3.5Å; V255-K267 PolarHBondContact O-NZ 3.16Å; V255-W268 HydrophobicContact CB-CD2 4.48Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.95Å; V255-W268 HydrophobicContact CG1-CE3 4.26Å; V255-W268 HydrophobicContact CG1-CH2 3.56Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.07Å; V255-W268 HydrophobicContact CG2-CD2 3.74Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.45Å; V255-W268 PolarHBondContact N-O 3.02Å
256	E	97.1	Very high	95.2	Very high	160 Å²	160	81.4 Å²	81.4	75%	0.748	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-58.1	146.7	168.4	-67.8	-56.5	155.2	0	0	111.8	R258	E256-R258 PolarHBondContact O-N 3.31Å
257	T	98.1	Very high	95.3	Very high	42 Å²	42	75.3 Å²	75.3	26%	0.258	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-66.7	129.1	174.2	-56.9	0	0	0	0	108.4	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.13Å; F232-T257 HydrophobicContact CZ-CG2 3.96Å; A235-T257 HydrophobicContact CB-CG2 4.29Å; A235-T257 WeakPolarHBondContact O-CG2 3.26Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.88Å; T257-F265 HydrophobicContact CG2-CG 4.1Å; T257-K267 WeakPolarHBondContact OG1-CD 3.41Å; T257-K267 PolarHBondContact OG1-NZ 3.07Å; T257-K267 VanDerWaalsContact OG1-NZ 3.17Å
258	R	97.7	Very high	95.5	Very high	98 Å²	98	72 Å²	72	37%	0.37	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.5	-174.8	69	-170.4	-177	-162.5	-0.4	111.6	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.31Å; R258-F265 WeakPolarHBondContact O-CA 3.09Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 2.78Å; R258-Q266 WeakPolarHBondContact O-CG 3.44Å; R258-Q266 PolarHBondContact O-N 2.78Å
259	P	97.4	Very high	95.6	Very high	94 Å²	94	70.8 Å²	70.8	61%	0.61	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	145.3	178.9	28.9	-34.8	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CD1 4.49Å; P259-F265 HydrophobicContact CB-CE1 4.27Å
260	A	96.6	Very high	96.1	Very high	51 Å²	51	65.8 Å²	65.8	42%	0.421	35%	0.354	S	S	.	.			trans	-89.7	-15.5	172.5	0	0	0	0	0	112.9	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.22Å; A260-T264 WeakPolarHBondContact CB-O 3.39Å; A260-T264 WeakPolarHBondContact CB-OG1 3.48Å; A260-T264 PolarHBondContact N-O 3.4Å
261	G	93.3	Very high	96.5	Very high	76 Å²	76	56.7 Å²	56.7	78%	0.784	31%	0.312	S	S	*	.	S	Bend	trans	95.7	-5.2	179.6	0	0	0	0	0	114.6
262	D	92.9	Very high	96.9	Very high	107 Å²	107	54.9 Å²	54.9	57%	0.572	30%	0.304	S	S	*	.	S	Bend	trans	-116.3	32.2	-179.9	64.7	-5.3	0	0	0	111.8	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.22Å; D262-T264 PolarHBondContact O-N 3.43Å; D262-T264 WeakPolarHBondContact OD1-CB 3.37Å; D262-T264 PolarHBondContact OD1-N 3.11Å; D262-T264 VanDerWaalsContact OD1-N 3.12Å; D262-T264 PolarHBondContact OD1-OG1 3.48Å
263	R	93	Very high	97	Very high	60 Å²	60	53.8 Å²	53.8	23%	0.226	30%	0.298	C	S	.	.	S	Bend	trans	73.3	-20.1	-169.8	-175.6	-177.3	175.4	-134.2	-10.4	115.1	T55 T202 Y233 F265	T55-R263 PolarHBondContact OG1-NE 2.92Å; T202-R263 VanDerWaalsContact CA-NH1 3.31Å; T202-R263 VanDerWaalsContact CB-NH1 3.28Å; T202-R263 PolarHBondContact O-NH1 3.38Å; T202-R263 PolarHBondContact O-NH2 3.2Å; Y233-R263 HydrophobicContact CD2-CG 3.98Å; Y233-R263 HydrophobicContact CE2-CG 4.18Å; Y233-R263 PolarHBondContact OH-NH2 3.06Å; R263-F265 WeakPolarHBondContact O-CE2 3.41Å
264	T	97.4	Very high	97	Very high	18 Å²	18	50.4 Å²	50.4	11%	0.11	29%	0.286	C	S	.	.			trans	-85.2	168.2	-179	76	0	0	0	0	112.9	F232 A260 D262	F232-T264 CarbonylContact O-C 3.58Å; F232-T264 WeakPolarHBondContact O-CA 3.27Å; A260-T264 WeakPolarHBondContact CB-O 3.39Å; A260-T264 WeakPolarHBondContact CB-OG1 3.48Å; A260-T264 PolarHBondContact N-O 3.4Å; D262-T264 PolarHBondContact O-N 3.43Å; D262-T264 WeakPolarHBondContact OD1-CB 3.37Å; D262-T264 PolarHBondContact OD1-N 3.11Å; D262-T264 VanDerWaalsContact OD1-N 3.12Å; D262-T264 PolarHBondContact OD1-OG1 3.48Å
265	F	98.4	Very high	96.8	Very high	24 Å²	24	48.9 Å²	48.9	11%	0.105	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	163.3	-179.9	-64.5	-87.6	0	0	0	111.8	D54 G231 F232 Y233 A235 T257 R258 P259 R263	D54-F265 HydrophobicContact CB-CE2 3.76Å; D54-F265 HydrophobicContact CB-CZ 3.72Å; G231-F265 PolarHBondContact N-O 3.33Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.41Å; F232-F265 HydrophobicContact CD2-CB 3.95Å; F232-F265 HydrophobicContact CE1-CB 4.25Å; F232-F265 WeakPolarHBondContact CE1-O 3.4Å; F232-F265 HydrophobicContact CE2-CB 3.48Å; F232-F265 VanDerWaalsContact CE2-CB 3.48Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.63Å; F232-F265 PolarHBondContact N-O 2.89Å; F232-F265 PolarHBondContact O-N 3.33Å; Y233-F265 HydrophobicContact CD2-CE2 4.08Å; A235-F265 HydrophobicContact CB-CD1 3.75Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.68Å; A235-F265 HydrophobicContact CB-CE2 3.65Å; A235-F265 HydrophobicContact CB-CG 3.76Å; A235-F265 HydrophobicContact CB-CZ 3.66Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.88Å; T257-F265 HydrophobicContact CG2-CG 4.1Å; R258-F265 WeakPolarHBondContact O-CA 3.09Å; P259-F265 HydrophobicContact CB-CD1 4.49Å; P259-F265 HydrophobicContact CB-CE1 4.27Å; R263-F265 WeakPolarHBondContact O-CE2 3.41Å
266	Q	98.4	Very high	96.6	Very high	46 Å²	46	50.5 Å²	50.5	22%	0.215	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	144.9	173.8	45.1	168.7	-22	0	0	109.9	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.06Å; L230-Q266 HydrophobicContact CD2-CB 3.53Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 2.78Å; R258-Q266 WeakPolarHBondContact O-CG 3.44Å; R258-Q266 PolarHBondContact O-N 2.78Å
267	K	98.6	Very high	96.5	Very high	16 Å²	16	45.4 Å²	45.4	7%	0.07	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	154.2	176.6	-161.2	-176.2	-172.2	69.8	0	108.9	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.13Å; A229-K267 PolarHBondContact O-N 3.14Å; A229-K267 VanDerWaalsContact O-O 3.1Å; F232-K267 HydrophobicContact CE1-CB 4.4Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.26Å; I237-K267 HydrophobicContact CG2-CD 3.6Å; L239-K267 HydrophobicContact CD1-CD 4.34Å; L239-K267 HydrophobicContact CD2-CB 4.37Å; L239-K267 HydrophobicContact CD2-CG 4.46Å; L254-K267 HydrophobicContact CD1-CD 4.43Å; V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 VanDerWaalsContact O-CE 3.27Å; V255-K267 WeakPolarHBondContact O-CE 3.44Å; V255-K267 WeakPolarHBondContact O-CG 3.5Å; V255-K267 PolarHBondContact O-NZ 3.16Å; T257-K267 WeakPolarHBondContact OG1-CD 3.41Å; T257-K267 PolarHBondContact OG1-NZ 3.07Å; T257-K267 VanDerWaalsContact OG1-NZ 3.17Å
268	W	98.4	Very high	96.4	Very high	25 Å²	25	44.4 Å²	44.4	10%	0.095	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	156.1	169.5	59.4	-99.4	0	0	0	111.5	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.1Å; R226-W268 HydrophobicContact CG-CE3 3.87Å; R226-W268 HydrophobicContact CG-CG 4.2Å; C227-W268 CarbonylContact O-C 3.51Å; C227-W268 WeakPolarHBondContact O-CA 3.25Å; C227-W268 WeakPolarHBondContact O-CB 3.18Å; W228-W268 HydrophobicContact CD2-CB 3.98Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.93Å; W228-W268 AromaticContact CE3-CD1 3.9Å; W228-W268 HydrophobicContact CE3-CG 4.23Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.68Å; W228-W268 HydrophobicContact CH2-CG 4.33Å; W228-W268 HydrophobicContact CZ3-CB 4.37Å; W228-W268 AromaticContact CZ3-CD1 3.46Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.46Å; W228-W268 HydrophobicContact CZ3-CG 4.17Å; E253-W268 HydrophobicContact CB-CZ3 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.88Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.47Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.31Å; V255-W268 HydrophobicContact CB-CD2 4.48Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.95Å; V255-W268 HydrophobicContact CG1-CE3 4.26Å; V255-W268 HydrophobicContact CG1-CH2 3.56Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.07Å; V255-W268 HydrophobicContact CG2-CD2 3.74Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.45Å; V255-W268 PolarHBondContact N-O 3.02Å; W268-A270 HydrophobicContact CE3-CB 3.91Å; W268-A270 HydrophobicContact CZ3-CB 3.6Å
269	A	98.4	Very high	96.3	Very high	0 Å²	0	44 Å²	44	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131.1	174	0	0	0	0	0	108.4	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.32Å; C227-A269 PolarHBondContact N-O 3.48Å; C227-A269 PolarHBondContact O-N 3.01Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; W241-A269 PolarHBondContact NE1-O 2.91Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; E253-A269 CarbonylContact O-C 3.53Å; E253-A269 WeakPolarHBondContact O-CA 3.48Å; L254-A269 HydrophobicContact CD1-CB 3.66Å
270	A	98.1	Very high	96.2	Very high	2 Å²	2	44.3 Å²	44.3	2%	0.017	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	145.4	-180	0	0	0	0	0	112.1	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.86Å; L225-A270 CarbonylContact O-C 3.43Å; L225-A270 WeakPolarHBondContact O-CA 3.45Å; R226-A270 HydrophobicContact CB-CB 4.04Å; R226-A270 HydrophobicContact CG-CB 4.11Å; T252-A270 CarbonylContact C-O 3.57Å; T252-A270 VanDerWaalsContact CA-O 3.3Å; T252-A270 WeakPolarHBondContact CA-O 3.2Å; E253-A270 HydrophobicContact CB-CB 4.41Å; E253-A270 PolarHBondContact N-O 3.02Å; E253-A270 PolarHBondContact O-N 3.39Å; W268-A270 HydrophobicContact CE3-CB 3.91Å; W268-A270 HydrophobicContact CZ3-CB 3.6Å
271	V	98	Very high	96.3	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.018	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	142.4	175.8	63.7	0	0	0	0	109	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.17Å; L225-V271 HydrophobicContact CB-CG1 4.25Å; L225-V271 PolarHBondContact N-O 2.98Å; L225-V271 PolarHBondContact O-N 3.09Å; W241-V271 HydrophobicContact CB-CG1 4.38Å; W241-V271 HydrophobicContact CD2-CG1 3.64Å; W241-V271 HydrophobicContact CE3-CG1 4.05Å; W241-V271 HydrophobicContact CG-CB 4.19Å; W241-V271 HydrophobicContact CG-CG1 3.8Å; W241-V271 HydrophobicContact CZ2-CG1 4.38Å; V271-V273 HydrophobicContact CG1-CG1 3.78Å; V271-V273 HydrophobicContact CG2-CG1 4.46Å; V271-Y281 HydrophobicContact CG1-CD1 3.97Å; V271-Y281 HydrophobicContact CG1-CE1 4.35Å; V271-Y281 HydrophobicContact CG2-CD1 4.42Å; V271-Y281 HydrophobicContact CG2-CE1 4.02Å
272	V	97.7	Very high	96.5	Very high	71 Å²	71	39 Å²	39	43%	0.43	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	128.2	171.5	-178.9	0	0	0	0	108.1	I218 E222 A223	I218-V272 HydrophobicContact CD1-CG1 3.96Å; I218-V272 HydrophobicContact CD1-CG2 4.07Å; E222-V272 HydrophobicContact CB-CG1 4.05Å; E222-V272 HydrophobicContact CG-CG1 4.3Å; A223-V272 WeakPolarHBondContact O-CA 3.3Å
273	V	96.8	Very high	96.8	Very high	1 Å²	1	34 Å²	34	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.5	-175.7	-51.6	0	0	0	0	110.5	E222 A223 L225 V271 E278 Y281	E222-V273 VanDerWaalsContact CA-O 3.31Å; E222-V273 WeakPolarHBondContact CA-O 3.39Å; A223-V273 PolarHBondContact N-O 3.11Å; A223-V273 PolarHBondContact O-N 3.33Å; L225-V273 HydrophobicContact CD1-CG1 4Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.14Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; V271-V273 HydrophobicContact CG1-CG1 3.78Å; V271-V273 HydrophobicContact CG2-CG1 4.46Å; V273-E278 HydrophobicContact CG2-CG 3.9Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.7Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.62Å; V273-Y281 HydrophobicContact CG1-CE2 3.55Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å
274	P	96.6	Very high	97	Very high	44 Å²	44	32.8 Å²	32.8	29%	0.286	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	140.3	170.4	-20.2	32.3	0	0	0	111.5	H221 G276 E277	H221-P274 CarbonylContact O-C 3.58Å; H221-P274 WeakPolarHBondContact O-CA 3.47Å; P274-G276 PolarHBondContact O-N 3.33Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact O-CB 3.38Å; P274-E277 PolarHBondContact O-N 2.85Å
275	S	93.2	Very high	97.1	Very high	56 Å²	56	31.9 Å²	31.9	39%	0.392	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	127.2	175.4	-63.8	0	0	0	0	110.9	D220 H221 E222 E277 E278	D220-S275 PolarHBondContact O-OG 3.48Å; H221-S275 PolarHBondContact O-N 2.87Å; H221-S275 PolarHBondContact O-OG 2.87Å; E222-S275 PolarHBondContact N-OG 3.12Å; S275-E277 VanDerWaalsContact C-N 3.35Å; S275-E278 WeakPolarHBondContact CA-OE1 3.46Å
276	G	92.1	Very high	97	Very high	66 Å²	66	34.1 Å²	34.1	68%	0.68	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.8	-6.2	-178.7	0	0	0	0	0	114.8	P274 E278	P274-G276 PolarHBondContact O-N 3.33Å; G276-E278 WeakPolarHBondContact CA-OE2 3.24Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.49Å; G276-E278 PolarHBondContact N-OE2 2.83Å
277	E	95.8	Very high	97	Very high	54 Å²	54	32.4 Å²	32.4	25%	0.252	18%	0.179	S	C	.	.			trans	-99.6	3.5	175.7	-65.4	-159.4	-155.9	0	0	113.7	R243 P274 S275 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.11Å; R243-E277 IonicContact NE-OE2 3.4Å; R243-E277 IonicContact NH2-OE1 2.62Å; R243-E277 IonicContact NH2-OE2 2.82Å; R243-E277 PolarHBondContact NH2-OE2 3.2Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact O-CB 3.38Å; P274-E277 PolarHBondContact O-N 2.85Å; S275-E277 VanDerWaalsContact C-N 3.35Å; E277-Q279 PolarHBondContact O-N 3.25Å; E277-R280 WeakPolarHBondContact O-CB 3.45Å; E277-R280 PolarHBondContact O-N 2.87Å; E277-R280 IonicContact OE1-NH1 2.67Å; E277-R280 IonicContact OE2-CZ 3.53Å; E277-R280 IonicContact OE2-NE 3.74Å; E277-R280 IonicContact OE2-NH1 3.78Å; E277-R280 PolarHBondContact OE2-NH1 3Å; E277-Y281 HydrophobicContact CB-CE2 4.45Å; E277-Y281 WeakPolarHBondContact O-CD2 3.42Å
278	E	95.3	Very high	96.7	Very high	20 Å²	20	35.3 Å²	35.3	9%	0.093	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-57	-32.7	-171.2	-57.2	80.6	-176.8	0	0	112.6	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 2.81Å; L225-E278 HydrophobicContact CD1-CB 4.08Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.31Å; V273-E278 HydrophobicContact CG2-CG 3.9Å; S275-E278 WeakPolarHBondContact CA-OE1 3.46Å; G276-E278 WeakPolarHBondContact CA-OE2 3.24Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.49Å; G276-E278 PolarHBondContact N-OE2 2.83Å; E278-R280 VanDerWaalsContact C-N 3.25Å; E278-R280 PolarHBondContact O-N 2.96Å; E278-Y281 PolarHBondContact O-N 3.43Å; E278-Y281 VanDerWaalsContact O-N 3.17Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.43Å; E278-W298 VanDerWaalsContact CB-CE3 3.43Å; E278-W298 HydrophobicContact CB-CZ3 3.87Å; E278-W298 HydrophobicContact CG-CE3 3.69Å; E278-W298 HydrophobicContact CG-CZ3 3.75Å
279	Q	95.5	Very high	96.5	Very high	90 Å²	90	35 Å²	35	42%	0.421	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-72.5	-15.4	-179.2	-63.1	-56.9	-46.1	0	0	114.1	E277 Y281 R297 W298	E277-Q279 PolarHBondContact O-N 3.25Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å; Q279-R297 PolarHBondContact O-NE 2.9Å; Q279-W298 PolarHBondContact NE2-O 3.5Å
280	R	96.9	Very high	96.4	Very high	101 Å²	101	36.3 Å²	36.3	38%	0.381	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-76.8	-16.8	172.7	-63.5	173.6	67.7	178.2	5.2	112.1	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.35Å; R243-R280 HydrophobicContact CG-CB 4.39Å; D244-R280 PolarHBondContact N-O 2.82Å; D244-R280 IonicContact OD1-NE 3.52Å; D244-R280 PolarHBondContact OD1-NE 2.83Å; D244-R280 IonicContact OD2-CZ 3.85Å; D244-R280 IonicContact OD2-NE 3.81Å; D244-R280 PolarHBondContact OD2-NE 3.23Å; D244-R280 IonicContact OD2-NH2 3.61Å; D244-R280 PolarHBondContact OD2-NH2 3.23Å; E277-R280 WeakPolarHBondContact O-CB 3.45Å; E277-R280 PolarHBondContact O-N 2.87Å; E277-R280 IonicContact OE1-NH1 2.67Å; E277-R280 IonicContact OE2-CZ 3.53Å; E277-R280 IonicContact OE2-NE 3.74Å; E277-R280 IonicContact OE2-NH1 3.78Å; E277-R280 PolarHBondContact OE2-NH1 3Å; E278-R280 VanDerWaalsContact C-N 3.25Å; E278-R280 PolarHBondContact O-N 2.96Å
281	Y	97.7	Very high	96.2	Very high	6 Å²	6	42.4 Å²	42.4	2%	0.024	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	130.9	-177.5	-69.5	-100.5	0	0	0	111.2	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.54Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.49Å; R243-Y281 HydrophobicContact CB-CD1 4.12Å; R243-Y281 HydrophobicContact CB-CE1 3.91Å; R243-Y281 HydrophobicContact CG-CD2 4.48Å; R243-Y281 HydrophobicContact CG-CE1 4.14Å; R243-Y281 HydrophobicContact CG-CE2 4.08Å; Q248-Y281 HydrophobicContact CG-CE1 4.34Å; V271-Y281 HydrophobicContact CG1-CD1 3.97Å; V271-Y281 HydrophobicContact CG1-CE1 4.35Å; V271-Y281 HydrophobicContact CG2-CD1 4.42Å; V271-Y281 HydrophobicContact CG2-CE1 4.02Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.7Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.62Å; V273-Y281 HydrophobicContact CG1-CE2 3.55Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å; E277-Y281 HydrophobicContact CB-CE2 4.45Å; E277-Y281 WeakPolarHBondContact O-CD2 3.42Å; E278-Y281 PolarHBondContact O-N 3.43Å; E278-Y281 VanDerWaalsContact O-N 3.17Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å
282	T	98.1	Very high	96	Very high	10 Å²	10	50 Å²	50	6%	0.061	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	132.4	175.5	47.9	0	0	0	0	110.6	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.15Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; Q242-T282 PolarHBondContact N-O 3.38Å; Q242-T282 PolarHBondContact O-N 3.48Å; T282-H284 PolarHBondContact OG1-NE2 3.01Å; T282-T295 HydrophobicContact CG2-CG2 3.95Å; T282-L296 CarbonylContact C-O 3.48Å; T282-L296 WeakPolarHBondContact CA-O 3.12Å; T282-R297 HydrophobicContact CG2-CG 3.64Å; T282-R297 VanDerWaalsContact CG2-NE 3.32Å
283	C	98.3	Very high	95.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.3	169.6	174.4	0	0	0	0	109.5	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.28Å; C227-C283 WeakPolarHBondContact SG-CB 3.1Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.28Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.17Å; W241-C283 HydrophobicContact CD2-CB 4.17Å; W241-C283 HydrophobicContact CE3-CB 4.09Å; W241-C283 HydrophobicContact CH2-CB 3.98Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.99Å; C283-T295 CarbonylContact O-C 3.58Å; C283-T295 WeakPolarHBondContact O-CA 3.1Å; C283-L296 HydrophobicContact CB-CB 4.33Å; C283-L296 PolarHBondContact N-O 2.99Å; C283-L296 PolarHBondContact O-N 3.38Å
284	H	98.1	Very high	96	Very high	35 Å²	35	53.2 Å²	53.2	16%	0.162	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131.6	176.3	-64.4	-105	0	0	0	109.7	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.37Å; T240-H284 PolarHBondContact N-O 3.44Å; T240-H284 PolarHBondContact O-N 2.91Å; Q242-H284 PolarHBondContact OE1-NE2 3.45Å; T282-H284 PolarHBondContact OG1-NE2 3.01Å; H284-L294 WeakPolarHBondContact CA-O 3.36Å; H284-T295 PolarHBondContact ND1-OG1 3.31Å
285	V	98.3	Very high	96	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	122.8	-178.7	-174.3	0	0	0	0	109.3	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.96Å; T211-V285 HydrophobicContact CG2-CB 4.35Å; T211-V285 HydrophobicContact CG2-CG1 4.09Å; T211-V285 HydrophobicContact CG2-CG2 3.99Å; I237-V285 HydrophobicContact CD1-CG1 4.05Å; I237-V285 HydrophobicContact CG1-CG1 4.36Å; T238-V285 WeakPolarHBondContact O-CA 3.28Å; L239-V285 HydrophobicContact CD1-CG1 4.11Å; L239-V285 HydrophobicContact CG-CG2 4.33Å; V285-L290 HydrophobicContact CG1-CD1 4.2Å; V285-P293 WeakPolarHBondContact O-CA 3.4Å; V285-L294 HydrophobicContact CB-CB 4.34Å; V285-L294 PolarHBondContact N-O 2.86Å; V285-L294 PolarHBondContact O-N 3.39Å; V285-L296 HydrophobicContact CG2-CD1 3.76Å
286	Q	97.8	Very high	96.2	Very high	71 Å²	71	53.9 Å²	53.9	33%	0.332	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.9	174.2	-52.1	-179.9	24.2	0	0	109.1	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.25Å; T238-Q286 PolarHBondContact N-O 2.87Å; T238-Q286 PolarHBondContact O-N 2.88Å; Q286-P293 HydrophobicContact CG-CB 4.09Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
287	H	96.7	Very high	96.4	Very high	10 Å²	10	57.6 Å²	57.6	5%	0.046	29%	0.289	C	S	.	.			trans	-156.4	147.6	-178.5	-173.4	-98.1	0	0	0	109.8	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 3.31Å; P209-H287 HydrophobicContact CG-CB 4.03Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.7Å; Y233-H287 PolarHBondContact O-CE1 3.34Å; P234-H287 PolarHBondContact O-NE2 3.01Å; E236-H287 PolarHBondContact O-CD2 2.78Å; I237-H287 HydrophobicContact CD1-CB 4.36Å; I237-H287 HydrophobicContact CG1-CB 4.11Å; H287-G289 PolarHBondContact ND1-N 3.21Å; H287-G289 PolarHBondContact O-N 2.84Å; H287-L290 HydrophobicContact CB-CD1 3.95Å; H287-L290 HydrophobicContact CB-CG 4.12Å; H287-L290 WeakPolarHBondContact O-CB 3.43Å; H287-L290 PolarHBondContact O-N 3.25Å
288	E	93.9	Very high	96.4	Very high	76 Å²	76	57.2 Å²	57.2	36%	0.355	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-37.3	-179.3	-168.3	-174	162.6	0	0	112.5	W23 A206 P234 L290	W23-E288 HydrophobicContact CB-CG 4.43Å; W23-E288 HydrophobicContact CE3-CB 3.97Å; W23-E288 VanDerWaalsContact CE3-N 3.35Å; A206-E288 HydrophobicContact CB-CB 4.34Å; A206-E288 HydrophobicContact CB-CG 4.33Å; P234-E288 WeakPolarHBondContact CG-OE2 3.44Å; E288-L290 PolarHBondContact O-N 3.29Å
289	G	94.1	Very high	96.2	Very high	20 Å²	20	64.2 Å²	64.2	21%	0.206	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-10.2	179.5	0	0	0	0	0	113.7	H287	H287-G289 PolarHBondContact ND1-N 3.21Å; H287-G289 PolarHBondContact O-N 2.84Å
290	L	95.8	Very high	95.6	Very high	26 Å²	26	63.7 Å²	63.7	14%	0.136	32%	0.322	C	S	.	.			trans	-94.3	125.6	178.8	-66	171.8	0	0	0	110.8	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.92Å; P208-L290 HydrophobicContact CB-CG 4.46Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.2Å; V285-L290 HydrophobicContact CG1-CD1 4.2Å; H287-L290 HydrophobicContact CB-CD1 3.95Å; H287-L290 HydrophobicContact CB-CG 4.12Å; H287-L290 WeakPolarHBondContact O-CB 3.43Å; H287-L290 PolarHBondContact O-N 3.25Å; E288-L290 PolarHBondContact O-N 3.29Å; L290-K292 PolarHBondContact O-N 3.24Å; L290-L294 HydrophobicContact CD1-CD1 3.96Å; L290-L294 HydrophobicContact CD1-CG 3.86Å; L290-L294 HydrophobicContact CD2-CD1 3.68Å; L290-L294 HydrophobicContact CD2-CD2 4.48Å; L290-L294 HydrophobicContact CD2-CG 3.94Å; L290-L294 HydrophobicContact CG-CD1 4.5Å
291	P	93.6	Very high	94	Very high	130 Å²	130	64 Å²	64	84%	0.844	34%	0.34	S	S	*	.	S	Bend	trans	-66	-24	177.1	27.8	-35.2	0	0	0	112.5
292	K	94.2	Very high	91.6	Very high	164 Å²	164	69 Å²	69	71%	0.713	38%	0.376	S	S	*	.	S	Bend	trans	-147.6	149.1	173.5	-64.9	-175.9	-178.4	176.5	0	109	L290 L294	L290-K292 PolarHBondContact O-N 3.24Å; K292-L294 PolarHBondContact O-N 2.96Å
293	P	96.3	Very high	89	Confident	79 Å²	79	76.6 Å²	76.6	51%	0.513	41%	0.41	S	S	.	.			trans	-51.9	140.5	171.8	-27.8	36.1	0	0	0	112.1	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.4Å; Q286-P293 HydrophobicContact CG-CB 4.09Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
294	L	97.3	Very high	86.3	Confident	60 Å²	60	80.8 Å²	80.8	31%	0.314	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	146.5	174.7	-62.7	177.5	0	0	0	110.2	T211 H284 V285 L290 K292 L296	T211-L294 HydrophobicContact CG2-CD1 4.26Å; H284-L294 WeakPolarHBondContact CA-O 3.36Å; V285-L294 HydrophobicContact CB-CB 4.34Å; V285-L294 PolarHBondContact N-O 2.86Å; V285-L294 PolarHBondContact O-N 3.39Å; L290-L294 HydrophobicContact CD1-CD1 3.96Å; L290-L294 HydrophobicContact CD1-CG 3.86Å; L290-L294 HydrophobicContact CD2-CD1 3.68Å; L290-L294 HydrophobicContact CD2-CD2 4.48Å; L290-L294 HydrophobicContact CD2-CG 3.94Å; L290-L294 HydrophobicContact CG-CD1 4.5Å; K292-L294 PolarHBondContact O-N 2.96Å; L294-L296 HydrophobicContact CB-CD1 4.06Å
295	T	97.9	Very high	83.9	Confident	86 Å²	86	85.2 Å²	85.2	53%	0.528	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	115	171.6	-56.4	0	0	0	0	108	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.95Å; C283-T295 CarbonylContact O-C 3.58Å; C283-T295 WeakPolarHBondContact O-CA 3.1Å; H284-T295 PolarHBondContact ND1-OG1 3.31Å
296	L	97.3	Very high	81.7	Confident	27 Å²	27	88.7 Å²	88.7	14%	0.141	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	143.9	-177.4	-62	100.8	0	0	0	110.5	T211 V213 T282 C283 V285 L294	T211-L296 HydrophobicContact CG2-CD1 4.43Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.29Å; V213-L296 HydrophobicContact CG2-CB 3.8Å; T282-L296 CarbonylContact C-O 3.48Å; T282-L296 WeakPolarHBondContact CA-O 3.12Å; C283-L296 HydrophobicContact CB-CB 4.33Å; C283-L296 PolarHBondContact N-O 2.99Å; C283-L296 PolarHBondContact O-N 3.38Å; V285-L296 HydrophobicContact CG2-CD1 3.76Å; L294-L296 HydrophobicContact CB-CD1 4.06Å
297	R	96.3	Very high	79.6	Confident	144 Å²	144	89.1 Å²	89.1	54%	0.543	50%	0.5	S	S	.	.			trans	-116.8	162.7	164.1	-70.9	-174.1	175.9	147.1	0.5	109	Q279 T282 E299	Q279-R297 PolarHBondContact O-NE 2.9Å; T282-R297 HydrophobicContact CG2-CG 3.64Å; T282-R297 VanDerWaalsContact CG2-NE 3.32Å; R297-E299 PolarHBondContact O-N 3.42Å
298	W	96	Very high	77.8	Confident	47 Å²	47	94.6 Å²	94.6	18%	0.178	53%	0.528	C	S	.	.	P	Polyproline II helix	trans	-69	120.8	166.6	171.4	56.6	0	0	0	109.7	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CG1-CB 3.84Å; H215-W298 HydrophobicContact CB-CD2 4.06Å; H215-W298 VanDerWaalsContact CB-CE2 3.5Å; H215-W298 HydrophobicContact CB-CG 4.12Å; H215-W298 HydrophobicContact CB-CZ2 3.98Å; H215-W298 VanDerWaalsContact CB-NE1 3.25Å; H215-W298 AromaticContact CG-CE2 3.74Å; H215-W298 AromaticContact CG-CZ2 3.76Å; H215-W298 AromaticContact ND1-CZ2 3.96Å; L225-W298 HydrophobicContact CD1-CB 4.42Å; L225-W298 HydrophobicContact CD2-CB 3.8Å; L225-W298 HydrophobicContact CD2-CD2 4.39Å; L225-W298 HydrophobicContact CD2-CG 3.96Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.43Å; E278-W298 VanDerWaalsContact CB-CE3 3.43Å; E278-W298 HydrophobicContact CB-CZ3 3.87Å; E278-W298 HydrophobicContact CG-CE3 3.69Å; E278-W298 HydrophobicContact CG-CZ3 3.75Å; Q279-W298 PolarHBondContact NE2-O 3.5Å; W298-P300 HydrophobicContact CE3-CG 4.35Å; W298-P300 HydrophobicContact CH2-CB 4.2Å; W298-P300 HydrophobicContact CH2-CG 3.93Å; W298-P300 HydrophobicContact CZ2-CB 4Å; W298-P300 HydrophobicContact CZ2-CG 4.07Å; W298-P300 HydrophobicContact CZ3-CG 4.06Å
299	E	89.8	Confident	76.1	Confident	167 Å²	167	96.7 Å²	96.7	78%	0.78	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-97	118.3	167.9	-71.2	-178.4	175.9	0	0	108.2	R297 S301	R297-E299 PolarHBondContact O-N 3.42Å; E299-S301 PolarHBondContact O-N 3.22Å; E299-S301 VanDerWaalsContact O-N 3.1Å
300	P	82.9	Confident	74.7	Confident	79 Å²	79	97.8 Å²	97.8	51%	0.513	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-56.2	121.4	169.7	-19.1	29.9	0	0	0	107.3	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.35Å; W298-P300 HydrophobicContact CH2-CB 4.2Å; W298-P300 HydrophobicContact CH2-CG 3.93Å; W298-P300 HydrophobicContact CZ2-CB 4Å; W298-P300 HydrophobicContact CZ2-CG 4.07Å; W298-P300 HydrophobicContact CZ3-CG 4.06Å; P300-S302 PolarHBondContact O-N 3.4Å
301	S	63.1	Low	73.6	Confident	106 Å²	106	101.2 Å²	101.2	74%	0.741	57%	0.574	S	S	*	*			trans	-53	111.2	179.5	32.9	0	0	0	0	108.3	E299 Q303	E299-S301 PolarHBondContact O-N 3.22Å; E299-S301 VanDerWaalsContact O-N 3.1Å; S301-Q303 PolarHBondContact O-N 3.03Å
302	S	47.6	Very low	72.7	Confident	112 Å²	112	99.3 Å²	99.3	78%	0.783	56%	0.56	S	S	*	*			trans	-69.9	74.5	161.4	63.1	0	0	0	0	106.1	P300 S304	P300-S302 PolarHBondContact O-N 3.4Å; S302-S304 PolarHBondContact O-N 3.24Å
303	Q	44.8	Very low	71.8	Confident	169 Å²	169	94 Å²	94	79%	0.79	55%	0.546	S	S	*	.			trans	-59.6	84.4	143.7	-85.5	-173.6	-12	0	0	104.2	S301 T305	S301-Q303 PolarHBondContact O-N 3.03Å; Q303-T305 PolarHBondContact O-N 2.78Å
304	S	41.4	Very low	71.1	Confident	89 Å²	89	92 Å²	92	62%	0.622	54%	0.54	S	S	*	.			trans	-54.6	99.8	164.5	-176	0	0	0	0	103.4	S302 V306	S302-S304 PolarHBondContact O-N 3.24Å; S304-V306 PolarHBondContact O-N 3.07Å; S304-V306 VanDerWaalsContact OG-CG2 3.29Å; S304-V306 WeakPolarHBondContact OG-CG2 3.44Å; S304-V306 PolarHBondContact OG-N 2.85Å
305	T	46.5	Very low	70.5	Confident	127 Å²	127	94.3 Å²	94.3	78%	0.779	55%	0.553	S	S	*	*			trans	-68.7	69.6	157.2	-45.3	0	0	0	0	103.6	Q303 P307	Q303-T305 PolarHBondContact O-N 2.78Å; T305-P307 WeakPolarHBondContact O-CD 3.46Å; T305-P307 VanDerWaalsContact O-N 3.11Å
306	V	52.4	Low	69.8	Low	73 Å²	73	92.9 Å²	92.9	44%	0.442	55%	0.549	S	S	.	.			trans	-47.2	122.2	154	179.7	0	0	0	0	102.5	S304 I308 I311	S304-V306 PolarHBondContact O-N 3.07Å; S304-V306 VanDerWaalsContact OG-CG2 3.29Å; S304-V306 WeakPolarHBondContact OG-CG2 3.44Å; S304-V306 PolarHBondContact OG-N 2.85Å; V306-I308 PolarHBondContact O-N 3.25Å; V306-I311 HydrophobicContact CG1-CD1 4.29Å
307	P	53.9	Low	69.1	Low	81 Å²	81	96 Å²	96	53%	0.526	57%	0.57	S	S	.	*			trans	-71.8	82.2	-173.5	28.9	-32.5	0	0	0	106.6	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.46Å; T305-P307 VanDerWaalsContact O-N 3.11Å; P307-V309 PolarHBondContact O-N 3.12Å; P307-V309 VanDerWaalsContact O-N 3.16Å; P307-G310 WeakPolarHBondContact O-CA 3.35Å; P307-G310 PolarHBondContact O-N 3.38Å; P307-I311 PolarHBondContact O-N 3.27Å; P307-I311 VanDerWaalsContact O-N 3.16Å
308	I	59	Low	68.6	Low	124 Å²	124	94.3 Å²	94.3	64%	0.636	57%	0.571	S	S	*	*	H	α-helix	trans	-53.7	-33.9	172.2	-66.4	169.6	0	0	0	107.6	V306 G310 I311 V312	V306-I308 PolarHBondContact O-N 3.25Å; I308-G310 PolarHBondContact O-N 2.84Å; I308-I311 PolarHBondContact O-N 3.27Å; I308-V312 HydrophobicContact CG2-CG2 4.23Å; I308-V312 WeakPolarHBondContact O-CB 3.39Å; I308-V312 WeakPolarHBondContact O-CG2 3.05Å; I308-V312 PolarHBondContact O-N 3.39Å
309	V	58.6	Low	68.1	Low	121 Å²	121	94.4 Å²	94.4	73%	0.733	58%	0.581	S	S	*	*	H	α-helix	trans	-58.9	-41.4	170.9	-176.6	0	0	0	0	112.7	P307 A313	P307-V309 PolarHBondContact O-N 3.12Å; P307-V309 VanDerWaalsContact O-N 3.16Å; V309-A313 WeakPolarHBondContact O-CB 3.14Å; V309-A313 PolarHBondContact O-N 3.07Å
310	G	64.4	Low	67.9	Low	42 Å²	42	91.4 Å²	91.4	43%	0.433	57%	0.574	S	S	.	*	H	α-helix	trans	-69.3	-38.7	178.9	0	0	0	0	0	113	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.35Å; P307-G310 PolarHBondContact O-N 3.38Å; I308-G310 PolarHBondContact O-N 2.84Å; G310-G314 PolarHBondContact O-N 2.88Å
311	I	72.6	Confident	68.1	Low	99 Å²	99	92.1 Å²	92.1	51%	0.508	58%	0.577	S	S	.	*	H	α-helix	trans	-69.7	-43.9	176.1	-62.2	173.6	0	0	0	110.4	V306 P307 I308 G314 L315	V306-I311 HydrophobicContact CG1-CD1 4.29Å; P307-I311 PolarHBondContact O-N 3.27Å; P307-I311 VanDerWaalsContact O-N 3.16Å; I308-I311 PolarHBondContact O-N 3.27Å; I311-G314 PolarHBondContact O-N 2.88Å; I311-L315 HydrophobicContact CG2-CD1 3.99Å; I311-L315 WeakPolarHBondContact O-CB 3.34Å; I311-L315 WeakPolarHBondContact O-CG 3.4Å; I311-L315 PolarHBondContact O-N 3.35Å
312	V	74.3	Confident	69.1	Low	89 Å²	89	91 Å²	91	54%	0.539	57%	0.566	S	S	.	*	H	α-helix	trans	-65.7	-43	178.1	172.6	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.23Å; I308-V312 WeakPolarHBondContact O-CB 3.39Å; I308-V312 WeakPolarHBondContact O-CG2 3.05Å; I308-V312 PolarHBondContact O-N 3.39Å; V312-L315 PolarHBondContact O-N 2.96Å; V312-A316 WeakPolarHBondContact O-CB 3.5Å; V312-A316 PolarHBondContact O-N 2.66Å
313	A	75.8	Confident	70.8	Confident	52 Å²	52	91 Å²	91	43%	0.43	56%	0.555	S	S	.	*	H	α-helix	trans	-63.3	-43	174.9	0	0	0	0	0	111.7	V309 L315 A316 V317	V309-A313 WeakPolarHBondContact O-CB 3.14Å; V309-A313 PolarHBondContact O-N 3.07Å; A313-L315 PolarHBondContact O-N 2.7Å; A313-A316 PolarHBondContact O-N 3.18Å; A313-V317 WeakPolarHBondContact O-CG2 3.28Å; A313-V317 PolarHBondContact O-N 3.42Å
314	G	80.6	Confident	72.7	Confident	37 Å²	37	84.9 Å²	84.9	38%	0.381	54%	0.537	S	S	.	.	H	α-helix	trans	-60.5	-44.7	176.2	0	0	0	0	0	112.8	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.88Å; I311-G314 PolarHBondContact O-N 2.88Å; G314-V317 PolarHBondContact O-N 3.37Å; G314-L318 PolarHBondContact O-N 2.77Å
315	L	84.8	Confident	74.6	Confident	110 Å²	110	83.4 Å²	83.4	58%	0.576	53%	0.531	S	S	*	.	H	α-helix	trans	-66.3	-39.1	177.3	-73.8	170.3	0	0	0	112.4	I311 V312 A313 L318 A319	I311-L315 HydrophobicContact CG2-CD1 3.99Å; I311-L315 WeakPolarHBondContact O-CB 3.34Å; I311-L315 WeakPolarHBondContact O-CG 3.4Å; I311-L315 PolarHBondContact O-N 3.35Å; V312-L315 PolarHBondContact O-N 2.96Å; A313-L315 PolarHBondContact O-N 2.7Å; L315-L318 PolarHBondContact O-N 2.73Å; L315-A319 WeakPolarHBondContact O-CB 3.49Å; L315-A319 PolarHBondContact O-N 2.72Å
316	A	83	Confident	76.3	Confident	55 Å²	55	81.3 Å²	81.3	46%	0.455	52%	0.518	S	S	.	.	H	α-helix	trans	-63.8	-43.3	176.6	0	0	0	0	0	111.7	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.5Å; V312-A316 PolarHBondContact O-N 2.66Å; A313-A316 PolarHBondContact O-N 3.18Å; A316-A319 PolarHBondContact O-N 3.27Å; A316-V320 WeakPolarHBondContact O-CG2 3.49Å; A316-V320 PolarHBondContact O-N 2.96Å; A316-V320 VanDerWaalsContact O-N 3.07Å
317	V	84.4	Confident	77.6	Confident	94 Å²	94	81.5 Å²	81.5	57%	0.57	52%	0.519	S	S	*	.	H	α-helix	trans	-63.4	-44.6	176.1	173.8	0	0	0	0	110.9	A313 G314 A319 V320 V321	A313-V317 WeakPolarHBondContact O-CG2 3.28Å; A313-V317 PolarHBondContact O-N 3.42Å; G314-V317 PolarHBondContact O-N 3.37Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3Å; V317-V320 PolarHBondContact O-N 3.18Å; V317-V321 HydrophobicContact CG1-CG2 4.46Å; V317-V321 WeakPolarHBondContact O-CG2 3.38Å; V317-V321 PolarHBondContact O-N 3.09Å
318	L	85.4	Confident	78.7	Confident	108 Å²	108	80.1 Å²	80.1	57%	0.565	51%	0.514	S	S	*	.	H	α-helix	trans	-58.9	-43.8	176.1	-108.4	154.7	0	0	0	112.1	G314 L315 V320 V321 V322	G314-L318 PolarHBondContact O-N 2.77Å; L315-L318 PolarHBondContact O-N 2.73Å; L318-V320 PolarHBondContact O-N 3.41Å; L318-V321 PolarHBondContact O-N 2.9Å; L318-V322 VanDerWaalsContact O-CG2 3.27Å; L318-V322 WeakPolarHBondContact O-CG2 3.49Å; L318-V322 PolarHBondContact O-N 3.16Å
319	A	84.5	Confident	79.5	Confident	49 Å²	49	76.9 Å²	76.9	41%	0.405	51%	0.506	S	S	.	.	H	α-helix	trans	-61.9	-43.4	177.3	0	0	0	0	0	112.1	L315 A316 V317 V321 V322 I323	L315-A319 WeakPolarHBondContact O-CB 3.49Å; L315-A319 PolarHBondContact O-N 2.72Å; A316-A319 PolarHBondContact O-N 3.27Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3Å; A319-V321 PolarHBondContact O-N 3.32Å; A319-V322 PolarHBondContact O-N 3.37Å; A319-I323 WeakPolarHBondContact O-CB 3.42Å; A319-I323 WeakPolarHBondContact O-CD1 3.23Å; A319-I323 VanDerWaalsContact O-CG1 3.23Å; A319-I323 WeakPolarHBondContact O-CG1 3.26Å; A319-I323 PolarHBondContact O-N 3.03Å
320	V	85.9	Confident	80.2	Confident	103 Å²	103	75 Å²	75	62%	0.624	50%	0.495	S	S	*	.	H	α-helix	trans	-63	-42.7	177	173	0	0	0	0	111.3	A316 V317 L318 I323 G324	A316-V320 WeakPolarHBondContact O-CG2 3.49Å; A316-V320 PolarHBondContact O-N 2.96Å; A316-V320 VanDerWaalsContact O-N 3.07Å; V317-V320 PolarHBondContact O-N 3.18Å; L318-V320 PolarHBondContact O-N 3.41Å; V320-I323 PolarHBondContact O-N 2.97Å; V320-G324 PolarHBondContact O-N 3.3Å
321	V	87.1	Confident	80.7	Confident	94 Å²	94	79.3 Å²	79.3	57%	0.57	51%	0.505	S	S	*	.	H	α-helix	trans	-63.6	-44.2	178	172.3	0	0	0	0	111.2	V317 L318 A319 G324 A325	V317-V321 HydrophobicContact CG1-CG2 4.46Å; V317-V321 WeakPolarHBondContact O-CG2 3.38Å; V317-V321 PolarHBondContact O-N 3.09Å; L318-V321 PolarHBondContact O-N 2.9Å; A319-V321 PolarHBondContact O-N 3.32Å; V321-G324 PolarHBondContact O-N 2.75Å; V321-A325 WeakPolarHBondContact O-CB 3.36Å; V321-A325 PolarHBondContact O-N 3.31Å
322	V	85	Confident	80.4	Confident	84 Å²	84	79 Å²	79	51%	0.509	51%	0.51	S	S	.	.	H	α-helix	trans	-64	-45.1	178.6	172.3	0	0	0	0	110.9	L318 A319 G324 A325 V326	L318-V322 VanDerWaalsContact O-CG2 3.27Å; L318-V322 WeakPolarHBondContact O-CG2 3.49Å; L318-V322 PolarHBondContact O-N 3.16Å; A319-V322 PolarHBondContact O-N 3.37Å; V322-G324 VanDerWaalsContact C-N 3.35Å; V322-G324 PolarHBondContact O-N 3.05Å; V322-A325 PolarHBondContact O-N 2.96Å; V322-V326 HydrophobicContact CG1-CG2 4.47Å; V322-V326 VanDerWaalsContact O-CG2 3.3Å; V322-V326 WeakPolarHBondContact O-CG2 3.4Å; V322-V326 PolarHBondContact O-N 3.01Å
323	I	83.3	Confident	79.9	Confident	111 Å²	111	84.2 Å²	84.2	57%	0.569	52%	0.52	S	S	*	.	H	α-helix	trans	-61.6	-45.1	176.7	-67.1	165.6	0	0	0	110.4	A319 V320 A325 V326 V327	A319-I323 WeakPolarHBondContact O-CB 3.42Å; A319-I323 WeakPolarHBondContact O-CD1 3.23Å; A319-I323 VanDerWaalsContact O-CG1 3.23Å; A319-I323 WeakPolarHBondContact O-CG1 3.26Å; A319-I323 PolarHBondContact O-N 3.03Å; V320-I323 PolarHBondContact O-N 2.97Å; I323-A325 PolarHBondContact O-N 3.46Å; I323-V326 PolarHBondContact O-N 2.92Å; I323-V327 HydrophobicContact CG2-CG2 4.39Å; I323-V327 VanDerWaalsContact O-CG2 3.31Å; I323-V327 WeakPolarHBondContact O-CG2 3.13Å; I323-V327 PolarHBondContact O-N 3.39Å
324	G	83.1	Confident	79	Confident	40 Å²	40	91.8 Å²	91.8	41%	0.412	54%	0.538	S	S	.	.	H	α-helix	trans	-58.8	-44	176.3	0	0	0	0	0	112.9	V320 V321 V322 V327 A328	V320-G324 PolarHBondContact O-N 3.3Å; V321-G324 PolarHBondContact O-N 2.75Å; V322-G324 VanDerWaalsContact C-N 3.35Å; V322-G324 PolarHBondContact O-N 3.05Å; G324-V327 PolarHBondContact O-N 3.02Å; G324-A328 WeakPolarHBondContact O-CB 3.31Å; G324-A328 PolarHBondContact O-N 3.1Å
325	A	81.3	Confident	77.7	Confident	59 Å²	59	99.4 Å²	99.4	49%	0.488	56%	0.56	S	S	.	*	H	α-helix	trans	-64.8	-41.1	177.4	0	0	0	0	0	112.5	V321 V322 I323 A328 A329	V321-A325 WeakPolarHBondContact O-CB 3.36Å; V321-A325 PolarHBondContact O-N 3.31Å; V322-A325 PolarHBondContact O-N 2.96Å; I323-A325 PolarHBondContact O-N 3.46Å; A325-A328 PolarHBondContact O-N 3.1Å; A325-A329 WeakPolarHBondContact O-CB 3.42Å; A325-A329 PolarHBondContact O-N 3.16Å
326	V	82.4	Confident	76.2	Confident	83 Å²	83	98.7 Å²	98.7	50%	0.503	57%	0.565	S	S	.	*	H	α-helix	trans	-64.9	-45.2	176.6	172	0	0	0	0	110.9	V322 I323 A328 A329 V330	V322-V326 HydrophobicContact CG1-CG2 4.47Å; V322-V326 VanDerWaalsContact O-CG2 3.3Å; V322-V326 WeakPolarHBondContact O-CG2 3.4Å; V322-V326 PolarHBondContact O-N 3.01Å; I323-V326 PolarHBondContact O-N 2.92Å; V326-A328 PolarHBondContact O-N 3.19Å; V326-A329 PolarHBondContact O-N 2.71Å; V326-V330 HydrophobicContact CG1-CG2 4.39Å; V326-V330 WeakPolarHBondContact O-CB 3.38Å; V326-V330 VanDerWaalsContact O-CG2 3.29Å; V326-V330 WeakPolarHBondContact O-CG2 3.32Å; V326-V330 PolarHBondContact O-N 2.91Å
327	V	80.8	Confident	74.6	Confident	77 Å²	77	100.5 Å²	100.5	47%	0.467	57%	0.574	S	S	.	*	H	α-helix	trans	-61.8	-44.8	177.2	173.1	0	0	0	0	110.8	I323 G324 A329 V330 M331	I323-V327 HydrophobicContact CG2-CG2 4.39Å; I323-V327 VanDerWaalsContact O-CG2 3.31Å; I323-V327 WeakPolarHBondContact O-CG2 3.13Å; I323-V327 PolarHBondContact O-N 3.39Å; G324-V327 PolarHBondContact O-N 3.02Å; V327-A329 PolarHBondContact O-N 3.26Å; V327-V330 PolarHBondContact O-N 3.32Å; V327-M331 HydrophobicContact CG1-CG 4.48Å; V327-M331 HydrophobicContact CG1-SD 4.18Å; V327-M331 WeakPolarHBondContact O-CB 3.31Å; V327-M331 WeakPolarHBondContact O-CG 3.46Å; V327-M331 PolarHBondContact O-N 3.38Å
328	A	76.2	Confident	72.8	Confident	52 Å²	52	99.7 Å²	99.7	43%	0.43	59%	0.585	S	S	.	*	H	α-helix	trans	-60.8	-44.5	176.1	0	0	0	0	0	112.1	G324 A325 V326 V330 M331 C332	G324-A328 WeakPolarHBondContact O-CB 3.31Å; G324-A328 PolarHBondContact O-N 3.1Å; A325-A328 PolarHBondContact O-N 3.1Å; V326-A328 PolarHBondContact O-N 3.19Å; A328-V330 PolarHBondContact O-N 2.98Å; A328-M331 PolarHBondContact O-N 3.45Å; A328-C332 WeakPolarHBondContact O-CB 3.45Å; A328-C332 PolarHBondContact O-N 2.87Å; A328-C332 PolarHBondContact O-SG 3.47Å
329	A	75.6	Confident	70.6	Confident	55 Å²	55	97.9 Å²	97.9	46%	0.455	59%	0.592	S	S	.	*	H	α-helix	trans	-63.7	-40.9	177.2	0	0	0	0	0	112.6	A325 V326 V327 C332 R333	A325-A329 WeakPolarHBondContact O-CB 3.42Å; A325-A329 PolarHBondContact O-N 3.16Å; V326-A329 PolarHBondContact O-N 2.71Å; V327-A329 PolarHBondContact O-N 3.26Å; A329-C332 PolarHBondContact O-N 3.34Å; A329-R333 WeakPolarHBondContact O-CB 3.23Å; A329-R333 PolarHBondContact O-N 3.11Å
330	V	74.8	Confident	68.2	Low	83 Å²	83	105.9 Å²	105.9	50%	0.503	62%	0.618	S	S	.	*	H	α-helix	trans	-66.2	-41.5	176.2	170.7	0	0	0	0	111	V326 V327 A328 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.39Å; V326-V330 WeakPolarHBondContact O-CB 3.38Å; V326-V330 VanDerWaalsContact O-CG2 3.29Å; V326-V330 WeakPolarHBondContact O-CG2 3.32Å; V326-V330 PolarHBondContact O-N 2.91Å; V327-V330 PolarHBondContact O-N 3.32Å; A328-V330 PolarHBondContact O-N 2.98Å; V330-R333 PolarHBondContact O-N 3.18Å; V330-R334 PolarHBondContact O-N 3.19Å
331	M	73.1	Confident	65.9	Low	132 Å²	132	104.9 Å²	104.9	65%	0.65	63%	0.628	S	S	*	*	H	α-helix	trans	-65.4	-40.9	175.6	-73.4	-175.4	68.6	0	0	112.3	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.48Å; V327-M331 HydrophobicContact CG1-SD 4.18Å; V327-M331 WeakPolarHBondContact O-CB 3.31Å; V327-M331 WeakPolarHBondContact O-CG 3.46Å; V327-M331 PolarHBondContact O-N 3.38Å; A328-M331 PolarHBondContact O-N 3.45Å; M331-R334 PolarHBondContact O-N 3.13Å; M331-K335 PolarHBondContact O-N 3.02Å
332	C	67.1	Low	63.2	Low	91 Å²	91	104.2 Å²	104.2	62%	0.615	64%	0.64	S	S	*	*	H	α-helix	trans	-61.2	-43.2	172.7	-78.8	0	0	0	0	111.7	A328 A329 K335 S336	A328-C332 WeakPolarHBondContact O-CB 3.45Å; A328-C332 PolarHBondContact O-N 2.87Å; A328-C332 PolarHBondContact O-SG 3.47Å; A329-C332 PolarHBondContact O-N 3.34Å; C332-K335 PolarHBondContact O-N 2.98Å; C332-S336 PolarHBondContact O-N 3.21Å; C332-S336 PolarHBondContact O-OG 2.91Å
333	R	63.8	Low	60.7	Low	199 Å²	199	105.5 Å²	105.5	75%	0.751	65%	0.653	S	S	*	*	H	α-helix	trans	-65	-39.4	176.2	-83.2	-171.5	165.5	-179.1	-2.4	113.2	A329 V330 K335 S336 S337	A329-R333 WeakPolarHBondContact O-CB 3.23Å; A329-R333 PolarHBondContact O-N 3.11Å; V330-R333 PolarHBondContact O-N 3.18Å; R333-K335 VanDerWaalsContact C-N 3.29Å; R333-K335 PolarHBondContact O-N 2.64Å; R333-S336 WeakPolarHBondContact CA-OG 3.1Å; R333-S336 PolarHBondContact O-N 3.14Å; R333-S336 PolarHBondContact O-OG 3.25Å; R333-S337 PolarHBondContact O-N 2.69Å
334	R	57.3	Low	58.4	Low	211 Å²	211	110 Å²	110	80%	0.796	66%	0.664	S	S	*	*	H	α-helix	trans	-66.3	-30.1	175.6	-111.8	-177.6	170.1	179.8	-2.6	112.9	V330 M331	V330-R334 PolarHBondContact O-N 3.19Å; M331-R334 PolarHBondContact O-N 3.13Å
335	K	52.1	Low	56.1	Low	197 Å²	197	114.2 Å²	114.2	86%	0.857	69%	0.688	S	S	*	*	H	α-helix	trans	-77.5	-21.9	176.4	-159.2	170.6	-179	179	0	112.9	M331 C332 R333	M331-K335 PolarHBondContact O-N 3.02Å; C332-K335 PolarHBondContact O-N 2.98Å; R333-K335 VanDerWaalsContact C-N 3.29Å; R333-K335 PolarHBondContact O-N 2.64Å
336	S	53.3	Low	54	Low	96 Å²	96	119.9 Å²	119.9	67%	0.671	70%	0.704	S	S	*	*	H	α-helix	trans	-90	-11.6	175.7	52	0	0	0	0	115.2	C332 R333	C332-S336 PolarHBondContact O-N 3.21Å; C332-S336 PolarHBondContact O-OG 2.91Å; R333-S336 WeakPolarHBondContact CA-OG 3.1Å; R333-S336 PolarHBondContact O-N 3.14Å; R333-S336 PolarHBondContact O-OG 3.25Å
337	S	49.9	Very low	51.6	Low	93 Å²	93	120.4 Å²	120.4	65%	0.65	72%	0.717	S	S	*	*			trans	-103	41.4	-175.8	71.3	0	0	0	0	113.6	R333	R333-S337 PolarHBondContact O-N 2.69Å
338	G	45.9	Very low	49.6	Very low	77 Å²	77	121.6 Å²	121.6	79%	0.794	74%	0.735	S	S	*	*			trans	-120.6	77.7	173.3	0	0	0	0	0	111.5
339	G	39.5	Very low	47.6	Very low	70 Å²	70	124.5 Å²	124.5	72%	0.722	75%	0.751	S	S	*	*			trans	160.4	121.3	164.9	0	0	0	0	0	117.1
340	K	35.6	Very low	45.8	Very low	217 Å²	217	127.4 Å²	127.4	94%	0.943	77%	0.768	S	S	*	*			trans	72.3	131.8	163	-71.1	166	170.2	171.3	0	116.6
341	G	35.8	Very low	44.1	Very low	81 Å²	81	130.6 Å²	130.6	84%	0.835	78%	0.782	S	S	*	*			cis	120.3	111.2	12.5	0	0	0	0	0	110.8
342	G	32.4	Very low	42.7	Very low	80 Å²	80	130.4 Å²	130.4	83%	0.825	79%	0.793	S	S	*	*			trans	104.3	108.3	148.5	0	0	0	0	0	121.3
343	S	31.7	Very low	41.4	Very low	112 Å²	112	130.5 Å²	130.5	78%	0.783	80%	0.801	S	S	*	*				72.2	117.1	125.7	-155.7	0	0	0	0	124.7
344	Y	34.6	Very low	40.4	Very low	205 Å²	205	130.6 Å²	130.6	80%	0.804	81%	0.81	S	S	*	*			trans	39.2	130.4	136.8	-81	-91.9	0	0	0	123.6
345	S	34.8	Very low	39.4	Very low	129 Å²	129	123.5 Å²	123.5	90%	0.902	80%	0.803	S	S	*	*				-160.1	149.1	121.6	0.5	0	0	0	0	111.9
346	Q	37.4	Very low	39	Very low	178 Å²	178	119.5 Å²	119.5	83%	0.832	80%	0.799	S	S	*	*			trans	-120.7	144.5	-169.7	170.8	-176.9	-1.6	0	0	110.4
347	A	33	Very low	38.4	Very low	93 Å²	93	122.2 Å²	122.2	77%	0.769	81%	0.806	S	S	*	*			trans	-176.5	112.1	147.1	0	0	0	0	0	108.1
348	A	37.1	Very low	38	Very low	102 Å²	102	123.1 Å²	123.1	84%	0.843	81%	0.807	S	S	*	*				61.6	135.2	86.6	0	0	0	0	0	113.2
349	C	34.3	Very low	37.8	Very low	114 Å²	114	123.9 Å²	123.9	77%	0.77	80%	0.801	S	S	*	*			cis	-166	148.5	4.2	-163.4	0	0	0	0	104.9
350	S	38.4	Very low	38	Very low	115 Å²	115	128.4 Å²	128.4	80%	0.804	81%	0.807	S	S	*	*				174.2	149.8	91.7	35.8	0	0	0	0	113
351	D	38.9	Very low	38.3	Very low	151 Å²	151	124.7 Å²	124.7	81%	0.807	80%	0.803	S	S	*	*			trans	-36	147.6	176.6	-66.4	-45.3	0	0	0	119.8
352	S	44.9	Very low	38.7	Very low	127 Å²	127	128.8 Å²	128.8	89%	0.888	83%	0.829	S	S	*	*				-167.6	144	103	8.6	0	0	0	0	112.3
353	A	39.5	Very low	39	Very low	94 Å²	94	131.3 Å²	131.3	78%	0.777	83%	0.83	S	S	*	*			trans	-92	151.2	-171.1	0	0	0	0	0	113.7
354	Q	42.7	Very low	39.4	Very low	201 Å²	201	132.3 Å²	132.3	94%	0.939	83%	0.832	S	S	*	*			trans	161.7	126.6	140.8	-97.2	174.6	-10.5	0	0	106
355	G	35.8	Very low	39.7	Very low	62 Å²	62	128.2 Å²	128.2	64%	0.639	83%	0.834	S	S	*	*			cis	140.5	116.2	17.2	0	0	0	0	0	106.4
356	S	43.2	Very low	40	Very low	112 Å²	112	128.2 Å²	128.2	78%	0.783	83%	0.83	S	S	*	*			trans	72.1	112.3	154.4	-38.6	0	0	0	0	117
357	D	41.5	Very low	40.1	Very low	154 Å²	154	125.1 Å²	125.1	82%	0.824	83%	0.829	S	S	*	*				68.4	138	81.9	-81.9	-8.8	0	0	0	112.6
358	V	40.5	Very low	40.6	Very low	111 Å²	111	127.2 Å²	127.2	67%	0.673	83%	0.834	S	S	*	*			cis	-175.1	157.1	8.9	124	0	0	0	0	107.9
359	S	42.3	Very low	40.9	Very low	94 Å²	94	129 Å²	129	66%	0.657	83%	0.833	S	S	*	*			trans	63.2	128.6	156.9	54.9	0	0	0	0	120.3
360	L	44.1	Very low	41.4	Very low	164 Å²	164	130.2 Å²	130.2	86%	0.859	84%	0.838	S	S	*	*				61.7	108.9	63	-87.4	166	0	0	0	114.1
361	T	41.6	Very low	41.6	Very low	140 Å²	140	131.4 Å²	131.4	86%	0.859	84%	0.84	S	S	*	*			trans	-157.5	112.9	145	10.7	0	0	0	0	104.8
362	A	44.7	Very low	41.9	Very low	167 Å²	167	129.6 Å²	129.6	100%	1.38	84%	0.843	S	S	*	*				87.1	0	100.1	0	0	0	0	0	111.6

Retrieved 362 of 362 residues in 486.2 ms (Link to these results)

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