A0A060VG58_HUMAN Loading...

MHC class I antigen

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

AlphaFold DB , UniProt , Accession A0A060VG58, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	42.8	Very low	242 Å²	242	144 Å²	144	100%	1.192	72%	0.721	S	S	*	*				0	103.6	0	-75.4	164.3	165.8	0	0	108
2	R	35.6	Very low	42.8	Very low	255 Å²	255	142.9 Å²	142.9	96%	0.962	72%	0.718	S	S	*	*			trans	-86.8	108.7	169.9	-92.2	-178.4	173	164.6	-2.2	106.5	M4	R2-M4 PolarHBondContact O-N 3.25Å; R2-M4 VanDerWaalsContact O-N 3.12Å
3	V	38.4	Very low	42.5	Very low	141 Å²	141	139.2 Å²	139.2	86%	0.855	70%	0.701	S	S	*	*			trans	-70.4	105	171.2	179.1	0	0	0	0	106.5	A5	V3-A5 PolarHBondContact O-N 3.12Å
4	M	40.1	Very low	42.4	Very low	179 Å²	179	133.8 Å²	133.8	88%	0.882	68%	0.683	S	S	*	*			trans	-77	100.5	171.4	-130	166.3	59	0	0	106.2	R2	R2-M4 PolarHBondContact O-N 3.25Å; R2-M4 VanDerWaalsContact O-N 3.12Å
5	A	44.4	Very low	42.5	Very low	57 Å²	57	127.3 Å²	127.3	47%	0.471	66%	0.662	S	S	.	*			trans	-60.2	140.5	169.5	0	0	0	0	0	108.9	V3 R7 I10	V3-A5 PolarHBondContact O-N 3.12Å; A5-R7 PolarHBondContact O-N 2.95Å; A5-I10 HydrophobicContact CB-CD1 4.3Å
6	P	44.9	Very low	42.6	Very low	72 Å²	72	122.3 Å²	122.3	47%	0.468	65%	0.645	S	S	.	*			trans	-65.3	121.1	-177.9	-0.4	12.4	0	0	0	108.7	T8 L9	P6-T8 PolarHBondContact O-N 3.17Å; P6-L9 HydrophobicContact CG-CB 4.37Å; P6-L9 WeakPolarHBondContact O-CB 3.41Å; P6-L9 PolarHBondContact O-N 3.29Å
7	R	47	Very low	42.3	Very low	218 Å²	218	121.5 Å²	121.5	82%	0.823	64%	0.641	S	S	*	*	H	α-helix	trans	-54.9	-24.2	178.8	-80.9	177.2	163.2	152.4	-6	113.3	A5 L11	A5-R7 PolarHBondContact O-N 2.95Å; R7-L11 WeakPolarHBondContact O-CG 3.49Å; R7-L11 PolarHBondContact O-N 3.05Å
8	T	50.2	Low	42.1	Very low	102 Å²	102	117.8 Å²	117.8	63%	0.626	63%	0.631	S	S	*	*	H	α-helix	trans	-68.9	-37.5	174	33.7	0	0	0	0	113.3	P6 L11 L12	P6-T8 PolarHBondContact O-N 3.17Å; T8-L11 PolarHBondContact O-N 2.65Å; T8-L12 PolarHBondContact O-N 3.14Å; T8-L12 VanDerWaalsContact O-N 3.14Å
9	L	42.4	Very low	42	Very low	102 Å²	102	115.7 Å²	115.7	53%	0.534	62%	0.619	S	S	.	*	H	α-helix	trans	-68.8	-37.9	178.4	-142.1	98	0	0	0	111.3	P6 L13	P6-L9 HydrophobicContact CG-CB 4.37Å; P6-L9 WeakPolarHBondContact O-CB 3.41Å; P6-L9 PolarHBondContact O-N 3.29Å; L9-L13 HydrophobicContact CD2-CD1 4.18Å; L9-L13 WeakPolarHBondContact O-CB 3.43Å; L9-L13 WeakPolarHBondContact O-CD1 3.39Å; L9-L13 WeakPolarHBondContact O-CG 3.35Å; L9-L13 PolarHBondContact O-N 2.89Å
10	I	45.5	Very low	41.9	Very low	92 Å²	92	114.3 Å²	114.3	47%	0.472	62%	0.615	S	S	.	*	H	α-helix	trans	-66.4	-39	177.7	-63.3	171.2	0	0	0	110.6	A5 S14	A5-I10 HydrophobicContact CB-CD1 4.3Å; I10-S14 WeakPolarHBondContact O-CB 3.42Å; I10-S14 PolarHBondContact O-N 2.71Å; I10-S14 PolarHBondContact O-OG 3.3Å
11	L	47.8	Very low	41.7	Very low	124 Å²	124	117 Å²	117	65%	0.649	62%	0.623	S	S	*	*	H	α-helix	trans	-69.7	-40.3	178.3	-73.8	165.8	0	0	0	112.7	R7 T8 S14 G15	R7-L11 WeakPolarHBondContact O-CG 3.49Å; R7-L11 PolarHBondContact O-N 3.05Å; T8-L11 PolarHBondContact O-N 2.65Å; L11-S14 PolarHBondContact O-N 2.61Å; L11-G15 PolarHBondContact O-N 3.03Å
12	L	43.4	Very low	42.2	Very low	131 Å²	131	109.6 Å²	109.6	69%	0.686	59%	0.592	S	S	*	*	H	α-helix	trans	-66.3	-42.5	175.6	-75.6	165.6	0	0	0	112.1	T8 S14 G15 A16	T8-L12 PolarHBondContact O-N 3.14Å; T8-L12 VanDerWaalsContact O-N 3.14Å; L12-S14 VanDerWaalsContact C-N 3.31Å; L12-S14 PolarHBondContact O-N 2.93Å; L12-G15 PolarHBondContact O-N 3.41Å; L12-A16 WeakPolarHBondContact O-CB 3.37Å; L12-A16 PolarHBondContact O-N 3.12Å
13	L	39.1	Very low	42.7	Very low	95 Å²	95	99.7 Å²	99.7	50%	0.497	56%	0.555	S	S	.	*	H	α-helix	trans	-63.8	-36.3	173	-78.8	160.1	0	0	0	111.8	L9 L17	L9-L13 HydrophobicContact CD2-CD1 4.18Å; L9-L13 WeakPolarHBondContact O-CB 3.43Å; L9-L13 WeakPolarHBondContact O-CD1 3.39Å; L9-L13 WeakPolarHBondContact O-CG 3.35Å; L9-L13 PolarHBondContact O-N 2.89Å; L13-L17 WeakPolarHBondContact O-CB 3.47Å; L13-L17 WeakPolarHBondContact O-CD1 3.22Å; L13-L17 VanDerWaalsContact O-CG 3.22Å; L13-L17 WeakPolarHBondContact O-CG 3.39Å; L13-L17 PolarHBondContact O-N 3.48Å
14	S	40.5	Very low	43.6	Very low	63 Å²	63	96 Å²	96	44%	0.441	54%	0.538	S	S	.	.	H	α-helix	trans	-68.5	-37.7	176.6	-54.9	0	0	0	0	112.2	I10 L11 L12 A18	I10-S14 WeakPolarHBondContact O-CB 3.42Å; I10-S14 PolarHBondContact O-N 2.71Å; I10-S14 PolarHBondContact O-OG 3.3Å; L11-S14 PolarHBondContact O-N 2.61Å; L12-S14 VanDerWaalsContact C-N 3.31Å; L12-S14 PolarHBondContact O-N 2.93Å; S14-A18 VanDerWaalsContact O-CB 3.25Å; S14-A18 WeakPolarHBondContact O-CB 3.25Å; S14-A18 PolarHBondContact O-N 3.47Å
15	G	44	Very low	45.4	Very low	36 Å²	36	88.6 Å²	88.6	37%	0.371	51%	0.508	S	S	.	.	H	α-helix	trans	-67.9	-43.6	174.8	0	0	0	0	0	112.6	L11 L12 A18 L19	L11-G15 PolarHBondContact O-N 3.03Å; L12-G15 PolarHBondContact O-N 3.41Å; G15-A18 PolarHBondContact O-N 3.02Å; G15-L19 WeakPolarHBondContact O-CD1 3.38Å; G15-L19 PolarHBondContact O-N 3Å
16	A	44.3	Very low	47.6	Very low	48 Å²	48	88 Å²	88	40%	0.397	50%	0.501	S	S	.	.	H	α-helix	trans	-67.6	-38.6	176.1	0	0	0	0	0	112.5	L12 T20	L12-A16 WeakPolarHBondContact O-CB 3.37Å; L12-A16 PolarHBondContact O-N 3.12Å; A16-T20 WeakPolarHBondContact O-CG2 3.4Å; A16-T20 PolarHBondContact O-N 3.27Å; A16-T20 PolarHBondContact O-OG1 3.39Å
17	L	38.2	Very low	50	Low	109 Å²	109	86 Å²	86	57%	0.571	49%	0.485	S	S	*	.	H	α-helix	trans	-68.3	-41.7	175	-76.9	164	0	0	0	112	L13 L19 T20 E21	L13-L17 WeakPolarHBondContact O-CB 3.47Å; L13-L17 WeakPolarHBondContact O-CD1 3.22Å; L13-L17 VanDerWaalsContact O-CG 3.22Å; L13-L17 WeakPolarHBondContact O-CG 3.39Å; L13-L17 PolarHBondContact O-N 3.48Å; L17-L19 PolarHBondContact O-N 3.17Å; L17-T20 WeakPolarHBondContact CA-OG1 3.09Å; L17-T20 PolarHBondContact O-N 2.95Å; L17-T20 PolarHBondContact O-OG1 3.04Å; L17-E21 WeakPolarHBondContact O-CB 3.32Å; L17-E21 PolarHBondContact O-N 3.05Å
18	A	38.4	Very low	52.5	Low	55 Å²	55	76.7 Å²	76.7	46%	0.455	45%	0.453	S	S	.	.	H	α-helix	trans	-66	-36	176.6	0	0	0	0	0	112.7	S14 G15 T22	S14-A18 VanDerWaalsContact O-CB 3.25Å; S14-A18 WeakPolarHBondContact O-CB 3.25Å; S14-A18 PolarHBondContact O-N 3.47Å; G15-A18 PolarHBondContact O-N 3.02Å; A18-T22 WeakPolarHBondContact O-CG2 3.25Å; A18-T22 PolarHBondContact O-N 2.89Å; A18-T22 PolarHBondContact O-OG1 2.9Å
19	L	39.4	Very low	54.8	Low	78 Å²	78	71.8 Å²	71.8	41%	0.408	42%	0.423	S	S	.	.	H	α-helix	trans	-68.4	-43.3	172.4	-100	108.5	0	0	0	112.2	G15 L17 E21 T22 W23	G15-L19 WeakPolarHBondContact O-CD1 3.38Å; G15-L19 PolarHBondContact O-N 3Å; L17-L19 PolarHBondContact O-N 3.17Å; L19-E21 PolarHBondContact O-N 3.27Å; L19-T22 WeakPolarHBondContact CA-OG1 3.21Å; L19-T22 PolarHBondContact O-N 2.99Å; L19-T22 PolarHBondContact O-OG1 3.44Å; L19-W23 HydrophobicContact CD2-CZ2 4.4Å; L19-W23 PolarHBondContact O-N 2.88Å
20	T	40.5	Very low	57.5	Low	87 Å²	87	69.2 Å²	69.2	53%	0.534	41%	0.406	S	S	.	.	H	α-helix	trans	-66.9	-35.9	178.9	48.2	0	0	0	0	113	A16 L17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.4Å; A16-T20 PolarHBondContact O-N 3.27Å; A16-T20 PolarHBondContact O-OG1 3.39Å; L17-T20 WeakPolarHBondContact CA-OG1 3.09Å; L17-T20 PolarHBondContact O-N 2.95Å; L17-T20 PolarHBondContact O-OG1 3.04Å; T20-T22 VanDerWaalsContact C-N 3.32Å; T20-T22 PolarHBondContact O-N 2.95Å
21	E	37.6	Very low	60	Low	170 Å²	170	65.1 Å²	65.1	79%	0.794	39%	0.385	S	S	*	.	H	α-helix	trans	-71.5	-24.6	176.8	-129	178.5	-173.6	0	0	113.2	L17 L19	L17-E21 WeakPolarHBondContact O-CB 3.32Å; L17-E21 PolarHBondContact O-N 3.05Å; L19-E21 PolarHBondContact O-N 3.27Å
22	T	44.3	Very low	62.4	Low	87 Å²	87	63.1 Å²	63.1	53%	0.534	37%	0.371	S	S	.	.	H	α-helix	trans	-84.1	-21	179.4	44.4	0	0	0	0	113.5	A18 L19 T20	A18-T22 WeakPolarHBondContact O-CG2 3.25Å; A18-T22 PolarHBondContact O-N 2.89Å; A18-T22 PolarHBondContact O-OG1 2.9Å; L19-T22 WeakPolarHBondContact CA-OG1 3.21Å; L19-T22 PolarHBondContact O-N 2.99Å; L19-T22 PolarHBondContact O-OG1 3.44Å; T20-T22 VanDerWaalsContact C-N 3.32Å; T20-T22 PolarHBondContact O-N 2.95Å
23	W	47	Very low	65.1	Low	48 Å²	48	57.1 Å²	57.1	18%	0.182	34%	0.34	C	S	.	.	H	α-helix	trans	-87.3	-42.4	-173.9	-77.5	41.7	0	0	0	112.9	L19 G25 E236 E288	L19-W23 HydrophobicContact CD2-CZ2 4.4Å; L19-W23 PolarHBondContact O-N 2.88Å; W23-G25 PolarHBondContact O-N 2.95Å; W23-E236 HydrophobicContact CE3-CG 4.49Å; W23-E236 HydrophobicContact CH2-CB 4Å; W23-E236 HydrophobicContact CH2-CG 3.28Å; W23-E236 HydrophobicContact CZ2-CB 4.39Å; W23-E236 HydrophobicContact CZ2-CG 3.29Å; W23-E236 HydrophobicContact CZ3-CB 4.14Å; W23-E236 HydrophobicContact CZ3-CG 3.87Å; W23-E236 VanDerWaalsContact CZ3-O 3.29Å; W23-E236 WeakPolarHBondContact CZ3-O 3.46Å; W23-E288 HydrophobicContact CB-CG 4.39Å; W23-E288 HydrophobicContact CE3-CB 3.98Å; W23-E288 VanDerWaalsContact O-CD 3.31Å
24	A	56	Low	67.9	Low	62 Å²	62	54.6 Å²	54.6	51%	0.512	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	105.7	-175.5	0	0	0	0	0	112.3
25	G	77.9	Confident	70.7	Confident	24 Å²	24	51.7 Å²	51.7	25%	0.247	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	13.5	164.5	0	0	0	0	0	117	W23 P129	W23-G25 PolarHBondContact O-N 2.95Å; G25-P129 VanDerWaalsContact O-CA 3.23Å; G25-P129 WeakPolarHBondContact O-CA 3.32Å
26	S	91.8	Very high	73.3	Confident	45 Å²	45	51.6 Å²	51.6	32%	0.315	30%	0.3	S	S	.	.			trans	-84.2	145.9	163.2	-61.2	0	0	0	0	109.8	V127	S26-V127 WeakPolarHBondContact CA-O 3.37Å
27	H	96	Very high	75.8	Confident	30 Å²	30	50.1 Å²	50.1	14%	0.139	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	156.2	-179.1	-67	-77.1	0	0	0	111.3	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.23Å; H27-D53 WeakPolarHBondContact CA-OD1 3.36Å; H27-D53 IonicContact CE1-OD2 3.79Å; H27-D53 IonicContact CG-OD2 3.86Å; H27-D53 IonicContact ND1-OD1 2.81Å; H27-D53 IonicContact ND1-OD2 3.52Å; H27-D53 PolarHBondContact ND1-OD2 2.87Å; H27-D126 CarbonylContact O-C 3.54Å; H27-D126 WeakPolarHBondContact O-CA 3.21Å; H27-V127 HydrophobicContact CB-CG2 4.04Å; H27-V127 PolarHBondContact N-O 3.23Å; H27-V127 PolarHBondContact O-N 2.95Å; H27-L192 HydrophobicContact CB-CD1 4.4Å; H27-L196 HydrophobicContact CB-CD1 3.69Å; H27-L196 HydrophobicContact CB-CD2 4.05Å; H27-L196 HydrophobicContact CB-CG 4.44Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.38Å
28	S	97.9	Very high	78.6	Confident	22 Å²	22	48.8 Å²	48.8	15%	0.154	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	150.1	178.3	67	0	0	0	0	112.1	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.52Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.47Å; S28-D53 PolarHBondContact N-OD1 3.21Å; S28-D53 PolarHBondContact O-N 3.34Å; S28-C125 WeakPolarHBondContact CA-O 3.26Å; S28-D126 WeakPolarHBondContact CB-OD1 3.42Å
29	M	98.6	Very high	81.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121	165.7	-174.4	171.9	62.6	0	0	108.7	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.17Å; M29-Y31 HydrophobicContact CG-CE2 4.09Å; M29-Y31 HydrophobicContact SD-CE2 4.07Å; M29-Y51 WeakPolarHBondContact CA-O 3.27Å; M29-V52 HydrophobicContact CG-CG2 4.32Å; M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.31Å; M29-G124 CarbonylContact O-C 3.6Å; M29-G124 WeakPolarHBondContact O-CA 3.46Å; M29-C125 PolarHBondContact N-O 3.48Å; M29-C125 PolarHBondContact O-N 2.94Å; M29-C188 HydrophobicContact CE-CB 4.2Å; M29-C188 WeakPolarHBondContact CE-O 3.49Å; M29-C188 WeakPolarHBondContact CE-SG 3.4Å; M29-W191 HydrophobicContact CE-CB 4Å; M29-W191 HydrophobicContact SD-CB 4.34Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 4.12Å; M29-L192 HydrophobicContact CB-CG 4.28Å; M29-L192 HydrophobicContact CE-CB 4.43Å; M29-L192 HydrophobicContact SD-CB 4.48Å; M29-Y195 HydrophobicContact SD-CD2 3.72Å; M29-Y195 HydrophobicContact SD-CE2 3.54Å; M29-Y195 VanDerWaalsContact SD-CE2 3.54Å
30	R	98.6	Very high	83.6	Confident	47 Å²	47	49.3 Å²	49.3	18%	0.177	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	136.1	-176	-56.1	-62	-175.8	78.1	4.2	110.9	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.45Å; R30-F32 HydrophobicContact CB-CE2 3.61Å; R30-F32 HydrophobicContact CB-CZ 3.92Å; R30-G50 CarbonylContact O-C 3.57Å; R30-G50 WeakPolarHBondContact O-CA 3.36Å; R30-Y51 PolarHBondContact N-O 2.96Å; R30-Y51 PolarHBondContact O-N 2.97Å; R30-D126 IonicContact CZ-OD1 3.25Å; R30-D126 IonicContact NE-OD1 3.84Å; R30-D126 PolarHBondContact NE-OD1 3.34Å; R30-D126 IonicContact NH2-OD1 2.81Å; R30-D126 PolarHBondContact NH2-OD1 3.49Å; R30-D126 IonicContact NH2-OD2 3.53Å; R30-D126 PolarHBondContact NH2-OD2 3.3Å; R30-Y137 PolarHBondContact NH2-OH 3.31Å
31	Y	98.8	Very high	86	Confident	6 Å²	6	55.5 Å²	55.5	2%	0.024	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	135.8	170.6	-69.7	-91.8	0	0	0	109.6	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.17Å; M29-Y31 HydrophobicContact CG-CE2 4.09Å; M29-Y31 HydrophobicContact SD-CE2 4.07Å; Y31-Y33 HydrophobicContact CD1-CE1 4.32Å; Y31-V49 CarbonylContact C-O 3.6Å; Y31-V49 WeakPolarHBondContact CA-O 3.45Å; Y31-F57 HydrophobicContact CE1-CZ 4.05Å; Y31-F57 AromaticContact CZ-CZ 3.79Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.34Å; Y31-V58 HydrophobicContact CE1-CG2 3.99Å; Y31-M122 WeakPolarHBondContact O-CA 3.37Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.41Å; Y31-Y123 HydrophobicContact CD2-CE1 4.48Å; Y31-Y123 AromaticContact CD2-CE2 3.79Å; Y31-Y123 HydrophobicContact CD2-CE2 3.79Å; Y31-Y123 AromaticContact CD2-CZ 3.75Å; Y31-Y123 HydrophobicContact CG-CE1 4.14Å; Y31-Y123 HydrophobicContact CG-CE2 4.25Å; Y31-Y123 AromaticContact CG-CZ 3.74Å; Y31-Y123 PolarHBondContact N-O 3.47Å; Y31-Y123 PolarHBondContact O-N 3.28Å; Y31-Y123 VanDerWaalsContact O-N 3.11Å
32	F	98.9	Very high	88.6	Confident	82 Å²	82	50.2 Å²	50.2	36%	0.36	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	118.2	178.6	-57	-96.3	0	0	0	109.2	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.45Å; R30-F32 HydrophobicContact CB-CE2 3.61Å; R30-F32 HydrophobicContact CB-CZ 3.92Å; F32-A48 WeakPolarHBondContact O-CA 3.35Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 2.8Å; F32-V49 PolarHBondContact O-N 2.92Å; F32-Y51 HydrophobicContact CD2-CD2 4.15Å; F32-Y51 HydrophobicContact CE2-CD2 4.16Å; F32-R121 CarbonylContact C-O 3.52Å; F32-R121 WeakPolarHBondContact CA-O 3.41Å; F32-M122 HydrophobicContact CD1-CB 3.98Å; F32-M122 HydrophobicContact CD1-CG 3.62Å; F32-M122 HydrophobicContact CE1-CB 4.11Å; F32-M122 HydrophobicContact CE1-CG 3.33Å; F32-M122 HydrophobicContact CG-CG 4.45Å; F32-M122 HydrophobicContact CZ-CG 3.95Å
33	Y	98.8	Very high	90.9	Very high	6 Å²	6	50.8 Å²	50.8	2%	0.024	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.4	177.8	-57.5	-19.2	0	0	0	109.6	Y31 F46 I47 A48 Y91 Q94 Q120 R121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.32Å; Y33-F46 HydrophobicContact CD1-CZ 4.23Å; Y33-F46 HydrophobicContact CD2-CE2 4.47Å; Y33-F46 HydrophobicContact CD2-CZ 4.2Å; Y33-F46 HydrophobicContact CG-CE2 4.2Å; Y33-F46 AromaticContact CG-CZ 3.93Å; Y33-F46 HydrophobicContact CG-CZ 3.93Å; Y33-I47 WeakPolarHBondContact CA-O 3.25Å; Y33-A48 HydrophobicContact CD1-CB 3.26Å; Y33-A48 HydrophobicContact CE1-CB 3.37Å; Y33-A48 HydrophobicContact CG-CB 4.27Å; Y33-Y91 HydrophobicContact CE1-CD1 4.13Å; Y33-Y91 AromaticContact CE1-CE1 3.84Å; Y33-Y91 HydrophobicContact CE1-CE1 3.84Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.48Å; Y33-Q94 HydrophobicContact CD2-CG 3.55Å; Y33-Q94 HydrophobicContact CE2-CB 4.36Å; Y33-Q94 HydrophobicContact CE2-CG 3.74Å; Y33-Q94 HydrophobicContact CG-CG 4.48Å; Y33-Q120 CarbonylContact O-C 3.59Å; Y33-Q120 VanDerWaalsContact O-CA 3.26Å; Y33-Q120 WeakPolarHBondContact O-CA 3.43Å; Y33-R121 PolarHBondContact N-O 3.49Å; Y33-R121 PolarHBondContact O-N 2.92Å; Y33-Y123 HydrophobicContact CD2-CE1 4.06Å; Y33-Y123 HydrophobicContact CE1-CE1 4.19Å; Y33-Y123 HydrophobicContact CE2-CD1 4.38Å; Y33-Y123 AromaticContact CE2-CE1 3.42Å; Y33-Y123 HydrophobicContact CE2-CE1 3.42Å; Y33-Y123 VanDerWaalsContact CE2-CE1 3.42Å; Y33-Y123 AromaticContact CZ-CE1 3.51Å; Y33-Y123 AromaticContact CZ-CZ 3.95Å; Y33-Y123 PolarHBondContact OH-OH 3.42Å
34	T	98.9	Very high	93.3	Very high	42 Å²	42	49.8 Å²	49.8	26%	0.258	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	124.1	175.7	-57.2	0	0	0	0	108.9	V36 F46 I47 I118 I119 Q120	T34-V36 HydrophobicContact CG2-CG2 4Å; T34-F46 WeakPolarHBondContact O-CA 3.45Å; T34-I47 PolarHBondContact N-O 2.79Å; T34-I47 PolarHBondContact O-N 3.08Å; T34-I118 HydrophobicContact CG2-CG2 3.9Å; T34-I119 WeakPolarHBondContact CA-O 3.48Å; T34-Q120 HydrophobicContact CG2-CG 4.17Å
35	A	98.7	Very high	95.3	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.008	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.3	174.2	0	0	0	0	0	109.6	H45 F46 D98 L102 I118 I119	A35-H45 CarbonylContact C-O 3.56Å; A35-H45 VanDerWaalsContact CA-O 3.29Å; A35-H45 WeakPolarHBondContact CA-O 3.33Å; A35-F46 HydrophobicContact CB-CD2 4.23Å; A35-D98 HydrophobicContact CB-CB 3.57Å; A35-L102 HydrophobicContact CB-CD1 4.07Å; A35-I118 WeakPolarHBondContact O-CA 3.34Å; A35-I119 PolarHBondContact N-O 3.4Å; A35-I119 PolarHBondContact O-N 2.93Å
36	V	98.5	Very high	96.3	Very high	34 Å²	34	46.9 Å²	46.9	21%	0.206	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	115.2	-178.1	-175.1	0	0	0	0	109.2	T34 P44 H45 H117 I118	T34-V36 HydrophobicContact CG2-CG2 4Å; V36-P44 CarbonylContact O-C 3.47Å; V36-P44 WeakPolarHBondContact O-CA 3.15Å; V36-P44 WeakPolarHBondContact O-CB 3.45Å; V36-H45 PolarHBondContact N-O 2.84Å; V36-H45 PolarHBondContact O-N 2.9Å; V36-H117 WeakPolarHBondContact CA-O 3.4Å; V36-I118 HydrophobicContact CG1-CG1 4.15Å; V36-I118 HydrophobicContact CG2-CD1 4.43Å; V36-I118 HydrophobicContact CG2-CG1 4.13Å; V36-I118 HydrophobicContact CG2-CG2 4.3Å
37	S	97.7	Very high	96.7	Very high	18 Å²	18	47.1 Å²	47.1	13%	0.126	26%	0.262	C	S	.	.			trans	-68.2	146.7	172.8	75.6	0	0	0	0	110.5	S116 H117	S37-S116 PolarHBondContact O-OG 3.09Å; S37-H117 PolarHBondContact N-O 3.46Å; S37-H117 PolarHBondContact OG-N 2.95Å; S37-H117 PolarHBondContact OG-O 3.46Å
38	R	95.7	Very high	96.8	Very high	81 Å²	81	45.7 Å²	45.7	31%	0.306	26%	0.255	S	S	.	.			trans	-138.2	75.1	-177.6	-60.3	172.9	174.2	179.1	-4.8	110.4	G40 R41 H45 D63	R38-G40 PolarHBondContact O-N 3.32Å; R38-R41 HydrophobicContact CB-CB 4.09Å; R38-R41 PolarHBondContact O-N 3.29Å; R38-H45 PolarHBondContact NH2-ND1 3.22Å; R38-D63 IonicContact CZ-OD2 3.32Å; R38-D63 IonicContact NH1-OD1 3.61Å; R38-D63 IonicContact NH1-OD2 3.93Å; R38-D63 PolarHBondContact NH1-OD2 2.98Å; R38-D63 IonicContact NH2-OD2 3.95Å; R38-D63 PolarHBondContact NH2-OD2 2.78Å
39	P	92.2	Very high	96.8	Very high	54 Å²	54	46 Å²	46	35%	0.351	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	128.8	-177	-27.2	34.6	0	0	0	112.3	R41 E113 G115	P39-R41 PolarHBondContact O-N 2.85Å; P39-E113 WeakPolarHBondContact CB-O 3.33Å; P39-E113 VanDerWaalsContact CG-O 3.27Å; P39-E113 WeakPolarHBondContact CG-O 3.46Å; P39-G115 WeakPolarHBondContact CG-O 3.43Å
40	G	90.5	Very high	96.8	Very high	89 Å²	89	46 Å²	46	92%	0.918	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	2.5	-178.7	0	0	0	0	0	115.9	R38	R38-G40 PolarHBondContact O-N 3.32Å
41	R	92.5	Very high	96.8	Very high	217 Å²	217	47 Å²	47	82%	0.819	26%	0.26	S	S	*	.	S	Bend	trans	-123.2	23	179.9	-53.8	-173	-171.9	-176.5	2.6	113.8	R38 P39	R38-R41 HydrophobicContact CB-CB 4.09Å; R38-R41 PolarHBondContact O-N 3.29Å; P39-R41 PolarHBondContact O-N 2.85Å
42	G	91.1	Very high	96.8	Very high	60 Å²	60	46.8 Å²	46.8	62%	0.619	26%	0.259	S	S	*	.	S	Bend	trans	99.6	-151.9	177.3	0	0	0	0	0	113.6
43	E	94	Very high	96.7	Very high	99 Å²	99	44.2 Å²	44.2	46%	0.463	25%	0.249	S	C	.	.	S	Bend	trans	-75.3	158.7	-178.6	-65.9	-56.2	159.9	0	0	112.6	H45 R99	E43-H45 PolarHBondContact O-N 2.84Å; E43-R99 VanDerWaalsContact CD-NE 3.3Å; E43-R99 IonicContact OE1-CZ 3.19Å; E43-R99 IonicContact OE1-NE 3.45Å; E43-R99 IonicContact OE1-NH2 2.79Å; E43-R99 PolarHBondContact OE1-NH2 3.19Å; E43-R99 VanDerWaalsContact OE2-CD 3.32Å; E43-R99 WeakPolarHBondContact OE2-CD 3.45Å; E43-R99 IonicContact OE2-CZ 3.83Å; E43-R99 IonicContact OE2-NE 3.14Å; E43-R99 PolarHBondContact OE2-NE 2.98Å; E43-R99 IonicContact OE2-NH2 3.31Å; E43-R99 PolarHBondContact OE2-NH2 2.85Å
44	P	96.8	Very high	96.5	Very high	27 Å²	27	47 Å²	47	18%	0.175	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-55.5	135.4	171	-25	35.4	0	0	0	111.4	V36 R99 L102	V36-P44 CarbonylContact O-C 3.47Å; V36-P44 WeakPolarHBondContact O-CA 3.15Å; V36-P44 WeakPolarHBondContact O-CB 3.45Å; P44-R99 HydrophobicContact CG-CB 4.26Å; P44-R99 HydrophobicContact CG-CG 4.13Å; P44-L102 HydrophobicContact CB-CD1 3.58Å; P44-L102 HydrophobicContact CG-CD1 3.72Å
45	H	98.4	Very high	96.4	Very high	21 Å²	21	46.3 Å²	46.3	10%	0.097	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	127.5	173.9	176.1	-149.2	0	0	0	109.8	A35 V36 R38 E43 I47 D61 S62 D63	A35-H45 CarbonylContact C-O 3.56Å; A35-H45 VanDerWaalsContact CA-O 3.29Å; A35-H45 WeakPolarHBondContact CA-O 3.33Å; V36-H45 PolarHBondContact N-O 2.84Å; V36-H45 PolarHBondContact O-N 2.9Å; R38-H45 PolarHBondContact NH2-ND1 3.22Å; E43-H45 PolarHBondContact O-N 2.84Å; H45-I47 VanDerWaalsContact CE1-CD1 3.46Å; H45-I47 WeakPolarHBondContact CE1-CD1 3.33Å; H45-D61 IonicContact CD2-OD1 2.62Å; H45-D61 IonicContact CE1-OD1 3.21Å; H45-D61 IonicContact NE2-OD1 3.94Å; H45-D61 PolarHBondContact NE2-OD1 3.04Å; H45-D61 IonicContact NE2-OD2 3.34Å; H45-S62 PolarHBondContact CD2-OG 3.37Å; H45-D63 IonicContact CD2-OD1 2.74Å; H45-D63 PolarHBondContact CD2-OD1 2.89Å; H45-D63 VanDerWaalsContact CD2-OD1 3.32Å; H45-D63 IonicContact CD2-OD2 3.32Å; H45-D63 PolarHBondContact CD2-OD2 2.8Å; H45-D63 VanDerWaalsContact CD2-OD2 3.31Å; H45-D63 IonicContact CE1-OD2 3.44Å; H45-D63 IonicContact CG-OD1 3.78Å; H45-D63 IonicContact CG-OD2 2.7Å; H45-D63 IonicContact ND1-OD2 3.32Å; H45-D63 IonicContact NE2-OD2 3.55Å
46	F	98.7	Very high	96.4	Very high	3 Å²	3	48.8 Å²	48.8	1%	0.013	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.8	-179.1	177.6	-93.9	0	0	0	110.2	Y33 T34 A35 A48 F60 S62 Q94 A95 D98	Y33-F46 HydrophobicContact CD1-CZ 4.23Å; Y33-F46 HydrophobicContact CD2-CE2 4.47Å; Y33-F46 HydrophobicContact CD2-CZ 4.2Å; Y33-F46 HydrophobicContact CG-CE2 4.2Å; Y33-F46 AromaticContact CG-CZ 3.93Å; Y33-F46 HydrophobicContact CG-CZ 3.93Å; T34-F46 WeakPolarHBondContact O-CA 3.45Å; A35-F46 HydrophobicContact CB-CD2 4.23Å; F46-A48 HydrophobicContact CE1-CB 3.74Å; F46-A48 HydrophobicContact CZ-CB 3.94Å; F46-F60 AromaticContact CD1-CD1 3.72Å; F46-F60 HydrophobicContact CD1-CD1 3.72Å; F46-F60 AromaticContact CD1-CE1 3.77Å; F46-F60 HydrophobicContact CD1-CE1 3.77Å; F46-F60 AromaticContact CE1-CD1 3.91Å; F46-F60 HydrophobicContact CE1-CD1 3.91Å; F46-F60 HydrophobicContact CE1-CE1 4.24Å; F46-S62 PolarHBondContact N-OG 3.49Å; F46-S62 PolarHBondContact O-N 3.5Å; F46-S62 PolarHBondContact O-OG 2.66Å; F46-Q94 HydrophobicContact CE2-CB 4.28Å; F46-Q94 HydrophobicContact CE2-CG 3.73Å; F46-Q94 HydrophobicContact CZ-CB 3.93Å; F46-Q94 HydrophobicContact CZ-CG 3.74Å; F46-A95 HydrophobicContact CB-CB 3.74Å; F46-A95 HydrophobicContact CD1-CB 3.75Å; F46-A95 HydrophobicContact CD2-CB 4.11Å; F46-A95 HydrophobicContact CE1-CB 4.37Å; F46-A95 HydrophobicContact CG-CB 3.59Å; F46-D98 VanDerWaalsContact CE2-OD2 3.25Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.33Å
47	I	98.8	Very high	96.4	Very high	51 Å²	51	47.1 Å²	47.1	26%	0.262	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	135.2	172.5	-60.4	167.5	0	0	0	107.9	Y33 T34 H45 V49 F60	Y33-I47 WeakPolarHBondContact CA-O 3.25Å; T34-I47 PolarHBondContact N-O 2.79Å; T34-I47 PolarHBondContact O-N 3.08Å; H45-I47 VanDerWaalsContact CE1-CD1 3.46Å; H45-I47 WeakPolarHBondContact CE1-CD1 3.33Å; I47-V49 HydrophobicContact CG2-CG1 4.31Å; I47-F60 WeakPolarHBondContact CA-O 3.42Å
48	A	98.8	Very high	96.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.2	169.8	0	0	0	0	0	110.3	F32 Y33 F46 R59 F60 Y91	F32-A48 WeakPolarHBondContact O-CA 3.35Å; Y33-A48 HydrophobicContact CD1-CB 3.26Å; Y33-A48 HydrophobicContact CE1-CB 3.37Å; Y33-A48 HydrophobicContact CG-CB 4.27Å; F46-A48 HydrophobicContact CE1-CB 3.74Å; F46-A48 HydrophobicContact CZ-CB 3.94Å; A48-R59 CarbonylContact O-C 3.44Å; A48-R59 VanDerWaalsContact O-CA 3.31Å; A48-R59 WeakPolarHBondContact O-CA 3.41Å; A48-F60 HydrophobicContact CB-CB 4.22Å; A48-F60 PolarHBondContact N-O 3.34Å; A48-F60 PolarHBondContact O-N 3.26Å; A48-Y91 HydrophobicContact CB-CD1 3.6Å; A48-Y91 HydrophobicContact CB-CE1 3.7Å; A48-Y91 HydrophobicContact CB-CG 4.41Å
49	V	98.8	Very high	96.5	Very high	27 Å²	27	46.4 Å²	46.4	16%	0.164	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	146.4	172.9	-62.1	0	0	0	0	109.9	Y31 F32 I47 Y51 V58 R59	Y31-V49 CarbonylContact C-O 3.6Å; Y31-V49 WeakPolarHBondContact CA-O 3.45Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 2.8Å; F32-V49 PolarHBondContact O-N 2.92Å; I47-V49 HydrophobicContact CG2-CG1 4.31Å; V49-Y51 HydrophobicContact CB-CE2 4.15Å; V49-Y51 HydrophobicContact CG2-CD2 4.37Å; V49-Y51 HydrophobicContact CG2-CE2 3.86Å; V49-V58 WeakPolarHBondContact CA-O 3.48Å; V49-R59 HydrophobicContact CG1-CG 4.32Å
50	G	98.7	Very high	96.9	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	139.5	176.5	0	0	0	0	0	110.6	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.57Å; R30-G50 WeakPolarHBondContact O-CA 3.36Å; G50-Q56 WeakPolarHBondContact O-CA 3.3Å; G50-F57 WeakPolarHBondContact O-CD1 3.36Å; G50-F57 PolarHBondContact O-N 3.16Å; G50-V58 PolarHBondContact N-O 2.95Å; G50-V58 VanDerWaalsContact N-O 3.07Å; G50-V58 PolarHBondContact O-N 2.95Å
51	Y	98.6	Very high	97.2	Very high	70 Å²	70	41.2 Å²	41.2	28%	0.275	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142.3	179.6	-76	-102.2	0	0	0	110.4	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.27Å; R30-Y51 PolarHBondContact N-O 2.96Å; R30-Y51 PolarHBondContact O-N 2.97Å; F32-Y51 HydrophobicContact CD2-CD2 4.15Å; F32-Y51 HydrophobicContact CE2-CD2 4.16Å; V49-Y51 HydrophobicContact CB-CE2 4.15Å; V49-Y51 HydrophobicContact CG2-CD2 4.37Å; V49-Y51 HydrophobicContact CG2-CE2 3.86Å; Y51-T55 WeakPolarHBondContact CA-O 3.41Å; Y51-T55 VanDerWaalsContact CD1-C 3.45Å; Y51-Q56 HydrophobicContact CD1-CB 4Å; Y51-Q56 VanDerWaalsContact CD1-N 3.27Å; Y51-Q56 HydrophobicContact CD2-CG 4.35Å; Y51-Q56 HydrophobicContact CE1-CB 3.49Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.49Å; Y51-Q56 HydrophobicContact CE1-CG 4.21Å; Y51-Q56 HydrophobicContact CE2-CB 4.08Å; Y51-Q56 HydrophobicContact CE2-CG 3.85Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å
52	V	98.3	Very high	97.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.7	156.5	176.2	0	0	0	0	105.8	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.52Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.47Å; M29-V52 HydrophobicContact CG-CG2 4.32Å; V52-D54 PolarHBondContact O-N 3.28Å; V52-T55 PolarHBondContact N-O 3.02Å; V52-T55 WeakPolarHBondContact O-CB 3.42Å; V52-T55 PolarHBondContact O-N 3.22Å; V52-F57 HydrophobicContact CG2-CD1 4.03Å; V52-F57 HydrophobicContact CG2-CE1 4.06Å; V52-W75 HydrophobicContact CB-CH2 4.37Å; V52-W75 HydrophobicContact CB-CZ2 4.43Å; V52-W75 HydrophobicContact CG2-CH2 3.84Å; V52-W75 HydrophobicContact CG2-CZ2 4.39Å; V52-L192 HydrophobicContact CG1-CD1 3.58Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; V52-Y195 HydrophobicContact CG2-CD2 3.96Å; V52-Y195 HydrophobicContact CG2-CG 4.45Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CB-CD1 4.28Å; V52-L203 HydrophobicContact CB-CD2 4.13Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.05Å; V52-L203 HydrophobicContact CG1-CG 4.48Å
53	D	96.2	Very high	97.8	Very high	29 Å²	29	33.8 Å²	33.8	16%	0.155	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	-124.6	-166.6	-51.2	-39.3	0	0	0	110.2	H27 S28	H27-D53 VanDerWaalsContact CA-OD1 3.23Å; H27-D53 WeakPolarHBondContact CA-OD1 3.36Å; H27-D53 IonicContact CE1-OD2 3.79Å; H27-D53 IonicContact CG-OD2 3.86Å; H27-D53 IonicContact ND1-OD1 2.81Å; H27-D53 IonicContact ND1-OD2 3.52Å; H27-D53 PolarHBondContact ND1-OD2 2.87Å; S28-D53 PolarHBondContact N-OD1 3.21Å; S28-D53 PolarHBondContact O-N 3.34Å
54	D	95.9	Very high	98	Very high	65 Å²	65	30.6 Å²	30.6	35%	0.348	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	9.9	179	-60.2	-55.1	0	0	0	113.6	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.28Å; D54-Y233 HydrophobicContact CB-CE2 4.01Å; D54-P234 VanDerWaalsContact OD2-CB 3.23Å; D54-P234 WeakPolarHBondContact OD2-CB 3.31Å; D54-A235 HydrophobicContact CB-CB 4.28Å; D54-A235 WeakPolarHBondContact OD2-CB 2.94Å; D54-A235 PolarHBondContact OD2-N 2.99Å; D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.72Å
55	T	96.8	Very high	98	Very high	27 Å²	27	35 Å²	35	17%	0.166	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	113.3	-177.4	-61.2	0	0	0	0	111.8	Y51 V52 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.41Å; Y51-T55 VanDerWaalsContact CD1-C 3.45Å; V52-T55 PolarHBondContact N-O 3.02Å; V52-T55 WeakPolarHBondContact O-CB 3.42Å; V52-T55 PolarHBondContact O-N 3.22Å; T55-F57 PolarHBondContact O-N 2.87Å; T55-A73 HydrophobicContact CG2-CB 4.48Å; T55-L203 HydrophobicContact CG2-CD2 4.1Å; T55-Y233 PolarHBondContact OG1-OH 2.76Å
56	Q	97.7	Very high	97.9	Very high	52 Å²	52	37.8 Å²	37.8	24%	0.243	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	129.3	173.2	-165.9	179.9	0.5	0	0	110.4	G50 Y51 V58 R72	G50-Q56 WeakPolarHBondContact O-CA 3.3Å; Y51-Q56 HydrophobicContact CD1-CB 4Å; Y51-Q56 VanDerWaalsContact CD1-N 3.27Å; Y51-Q56 HydrophobicContact CD2-CG 4.35Å; Y51-Q56 HydrophobicContact CE1-CB 3.49Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.49Å; Y51-Q56 HydrophobicContact CE1-CG 4.21Å; Y51-Q56 HydrophobicContact CE2-CB 4.08Å; Y51-Q56 HydrophobicContact CE2-CG 3.85Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å; Q56-V58 PolarHBondContact NE2-O 3.47Å; Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.37Å; Q56-R72 CarbonylContact O-C 3.55Å
57	F	98.2	Very high	97.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	-21.8	-179.9	77	-83.1	0	0	0	114.4	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.31Å; Y31-F57 HydrophobicContact CE1-CZ 4.05Å; Y31-F57 AromaticContact CZ-CZ 3.79Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.34Å; G50-F57 WeakPolarHBondContact O-CD1 3.36Å; G50-F57 PolarHBondContact O-N 3.16Å; V52-F57 HydrophobicContact CG2-CD1 4.03Å; V52-F57 HydrophobicContact CG2-CE1 4.06Å; T55-F57 PolarHBondContact O-N 2.87Å; F57-R72 PolarHBondContact O-N 3.3Å; F57-A73 HydrophobicContact CB-CB 4.09Å; F57-W75 HydrophobicContact CB-CH2 3.1Å; F57-W75 HydrophobicContact CB-CZ2 3.33Å; F57-W75 HydrophobicContact CB-CZ3 3.9Å; F57-W75 AromaticContact CD1-CH2 4Å; F57-W75 HydrophobicContact CD1-CH2 4Å; F57-W75 AromaticContact CD2-CH2 3.72Å; F57-W75 HydrophobicContact CD2-CH2 3.72Å; F57-W75 AromaticContact CD2-CZ3 3.95Å; F57-W75 HydrophobicContact CD2-CZ3 3.95Å; F57-W75 AromaticContact CG-CH2 3.36Å; F57-W75 HydrophobicContact CG-CH2 3.36Å; F57-W75 HydrophobicContact CG-CZ2 4.07Å; F57-W75 HydrophobicContact CG-CZ3 4.07Å; F57-V76 HydrophobicContact CB-CG1 4.41Å; F57-V76 HydrophobicContact CD2-CB 4.36Å; F57-V76 HydrophobicContact CD2-CG1 4.48Å; F57-V76 HydrophobicContact CD2-CG2 4.09Å; F57-V76 VanDerWaalsContact O-CG1 3.26Å; F57-V76 WeakPolarHBondContact O-CG1 3.03Å; F57-Y195 HydrophobicContact CD2-CE2 4.49Å; F57-Y195 HydrophobicContact CE2-CD2 4.3Å; F57-Y195 AromaticContact CE2-CE2 3.67Å; F57-Y195 HydrophobicContact CE2-CE2 3.67Å; F57-Y195 AromaticContact CE2-CZ 3.84Å; F57-Y195 HydrophobicContact CZ-CD2 4.35Å; F57-Y195 AromaticContact CZ-CE2 3.81Å; F57-Y195 HydrophobicContact CZ-CE2 3.81Å
58	V	98.4	Very high	97.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	152	176.8	-73.6	0	0	0	0	112.5	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG2 3.99Å; V49-V58 WeakPolarHBondContact CA-O 3.48Å; G50-V58 PolarHBondContact N-O 2.95Å; G50-V58 VanDerWaalsContact N-O 3.07Å; G50-V58 PolarHBondContact O-N 2.95Å; Q56-V58 PolarHBondContact NE2-O 3.47Å; V58-E70 WeakPolarHBondContact CA-O 3.17Å; V58-W84 HydrophobicContact CG1-CH2 3.93Å; V58-W84 HydrophobicContact CG1-CZ3 3.85Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.33Å
59	R	98.4	Very high	97.7	Very high	84 Å²	84	44.5 Å²	44.5	32%	0.317	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	146.4	170.1	-179.9	173.8	170.8	140.7	0.5	110.7	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.44Å; A48-R59 VanDerWaalsContact O-CA 3.31Å; A48-R59 WeakPolarHBondContact O-CA 3.41Å; V49-R59 HydrophobicContact CG1-CG 4.32Å; R59-D61 IonicContact CZ-OD2 2.76Å; R59-D61 IonicContact NH2-OD2 2.91Å; R59-D61 PolarHBondContact NH2-OD2 2.9Å; R59-E70 PolarHBondContact N-O 3Å; R59-E70 PolarHBondContact O-N 2.81Å; R59-R72 HydrophobicContact CB-CG 3.91Å
60	F	98.8	Very high	97.6	Very high	4 Å²	4	46 Å²	46	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	141.6	164	175	-81.7	0	0	0	108.9	F46 I47 A48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.72Å; F46-F60 HydrophobicContact CD1-CD1 3.72Å; F46-F60 AromaticContact CD1-CE1 3.77Å; F46-F60 HydrophobicContact CD1-CE1 3.77Å; F46-F60 AromaticContact CE1-CD1 3.91Å; F46-F60 HydrophobicContact CE1-CD1 3.91Å; F46-F60 HydrophobicContact CE1-CE1 4.24Å; I47-F60 WeakPolarHBondContact CA-O 3.42Å; A48-F60 HydrophobicContact CB-CB 4.22Å; A48-F60 PolarHBondContact N-O 3.34Å; A48-F60 PolarHBondContact O-N 3.26Å; F60-P67 HydrophobicContact CE2-CB 3.88Å; F60-P67 HydrophobicContact CZ-CB 3.67Å; F60-R68 VanDerWaalsContact CD2-C 3.48Å; F60-R68 WeakPolarHBondContact CD2-O 3.29Å; F60-Y91 HydrophobicContact CB-CD1 4.35Å; F60-Y91 HydrophobicContact CB-CD2 3.52Å; F60-Y91 HydrophobicContact CB-CE2 3.99Å; F60-Y91 HydrophobicContact CB-CG 3.73Å; F60-Y91 HydrophobicContact CD1-CG 4.4Å; F60-Y91 AromaticContact CD2-CD2 3.71Å; F60-Y91 HydrophobicContact CD2-CD2 3.71Å; F60-Y91 AromaticContact CD2-CG 3.99Å; F60-Y91 HydrophobicContact CD2-CG 3.99Å; F60-Y91 AromaticContact CG-CD2 3.79Å; F60-Y91 HydrophobicContact CG-CD2 3.79Å; F60-Y91 AromaticContact CG-CG 3.79Å; F60-Y91 HydrophobicContact CG-CG 3.79Å; F60-K92 HydrophobicContact CE2-CG 4.25Å; F60-K92 HydrophobicContact CZ-CG 4.04Å
61	D	98.6	Very high	97.6	Very high	29 Å²	29	48.2 Å²	48.2	16%	0.155	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	119.2	179.5	-165.5	-36.4	0	0	0	109.1	H45 R59 D63 A64	H45-D61 IonicContact CD2-OD1 2.62Å; H45-D61 IonicContact CE1-OD1 3.21Å; H45-D61 IonicContact NE2-OD1 3.94Å; H45-D61 PolarHBondContact NE2-OD1 3.04Å; H45-D61 IonicContact NE2-OD2 3.34Å; R59-D61 IonicContact CZ-OD2 2.76Å; R59-D61 IonicContact NH2-OD2 2.91Å; R59-D61 PolarHBondContact NH2-OD2 2.9Å; D61-D63 PolarHBondContact O-N 2.98Å; D61-D63 PolarHBondContact OD1-N 2.95Å; D61-A64 HydrophobicContact CB-CB 4.31Å; D61-A64 WeakPolarHBondContact O-CB 3.39Å; D61-A64 PolarHBondContact O-N 3.48Å
62	S	98.2	Very high	97.5	Very high	34 Å²	34	50.6 Å²	50.6	24%	0.238	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-20.9	-178.1	71.5	0	0	0	0	113.6	H45 F46 A64 P67	H45-S62 PolarHBondContact CD2-OG 3.37Å; F46-S62 PolarHBondContact N-OG 3.49Å; F46-S62 PolarHBondContact O-N 3.5Å; F46-S62 PolarHBondContact O-OG 2.66Å; S62-A64 VanDerWaalsContact C-N 3.33Å; S62-P67 WeakPolarHBondContact O-CG 3.36Å
63	D	97.4	Very high	97.4	Very high	87 Å²	87	50.8 Å²	50.8	47%	0.465	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-4.8	179.4	-72.7	2	0	0	0	112	R38 H45 D61	R38-D63 IonicContact CZ-OD2 3.32Å; R38-D63 IonicContact NH1-OD1 3.61Å; R38-D63 IonicContact NH1-OD2 3.93Å; R38-D63 PolarHBondContact NH1-OD2 2.98Å; R38-D63 IonicContact NH2-OD2 3.95Å; R38-D63 PolarHBondContact NH2-OD2 2.78Å; H45-D63 IonicContact CD2-OD1 2.74Å; H45-D63 PolarHBondContact CD2-OD1 2.89Å; H45-D63 VanDerWaalsContact CD2-OD1 3.32Å; H45-D63 IonicContact CD2-OD2 3.32Å; H45-D63 PolarHBondContact CD2-OD2 2.8Å; H45-D63 VanDerWaalsContact CD2-OD2 3.31Å; H45-D63 IonicContact CE1-OD2 3.44Å; H45-D63 IonicContact CG-OD1 3.78Å; H45-D63 IonicContact CG-OD2 2.7Å; H45-D63 IonicContact ND1-OD2 3.32Å; H45-D63 IonicContact NE2-OD2 3.55Å; D61-D63 PolarHBondContact O-N 2.98Å; D61-D63 PolarHBondContact OD1-N 2.95Å
64	A	97.2	Very high	97.4	Very high	33 Å²	33	54.2 Å²	54.2	27%	0.273	30%	0.303	S	S	.	.	S	Bend	trans	-61.5	148.6	174.2	0	0	0	0	0	111.1	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.31Å; D61-A64 WeakPolarHBondContact O-CB 3.39Å; D61-A64 PolarHBondContact O-N 3.48Å; S62-A64 VanDerWaalsContact C-N 3.33Å; A64-S66 PolarHBondContact O-N 2.03Å; A64-S66 VanDerWaalsContact O-N 3.13Å; A64-P67 WeakPolarHBondContact O-CD 3.44Å; A64-P67 VanDerWaalsContact O-CG 3.27Å; A64-P67 WeakPolarHBondContact O-CG 3.44Å
65	A	96.7	Very high	97.4	Very high	118 Å²	118	51.9 Å²	51.9	98%	0.975	29%	0.289	S	S	*	.	S	Bend	trans	-58.3	-30.6	179.4	0	0	0	0	0	113.2
66	S	95.9	Very high	97.4	Very high	80 Å²	80	50.6 Å²	50.6	56%	0.559	28%	0.281	S	S	*	.	S	Bend	trans	-133.9	88.4	172.2	-168.4	0	0	0	0	109.3	A64 R68	A64-S66 PolarHBondContact O-N 2.03Å; A64-S66 VanDerWaalsContact O-N 3.13Å; S66-R68 PolarHBondContact O-N 3.33Å
67	P	97	Very high	97.3	Very high	36 Å²	36	54 Å²	54	23%	0.234	30%	0.297	C	S	.	.			trans	-64.7	110.7	-175.3	-24.2	35.5	0	0	0	111.9	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.88Å; F60-P67 HydrophobicContact CZ-CB 3.67Å; S62-P67 WeakPolarHBondContact O-CG 3.36Å; A64-P67 WeakPolarHBondContact O-CD 3.44Å; A64-P67 VanDerWaalsContact O-CG 3.27Å; A64-P67 WeakPolarHBondContact O-CG 3.44Å; P67-K92 WeakPolarHBondContact O-CE 3.11Å; P67-K92 PolarHBondContact O-NZ 3.2Å
68	R	97.7	Very high	97.2	Very high	153 Å²	153	59.7 Å²	59.7	58%	0.577	32%	0.324	S	S	*	.			trans	-146.8	160.3	177.3	64.5	-176.3	175.1	173	-0.4	110.8	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.48Å; F60-R68 WeakPolarHBondContact CD2-O 3.29Å; S66-R68 PolarHBondContact O-N 3.33Å; R68-E70 HydrophobicContact CG-CG 4.36Å; R68-E70 PolarHBondContact O-N 3.27Å; R68-T88 HydrophobicContact CB-CG2 4.2Å
69	G	97.4	Very high	97.1	Very high	6 Å²	6	60.2 Å²	60.2	6%	0.062	33%	0.326	C	S	.	.			trans	-65.6	130.2	168.9	0	0	0	0	0	109.6	T88	G69-T88 PolarHBondContact N-OG1 2.84Å
70	E	97.7	Very high	97	Very high	58 Å²	58	58 Å²	58	27%	0.271	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	135.2	-178.6	-64.3	178.9	163.6	0	0	110.1	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.17Å; R59-E70 PolarHBondContact N-O 3Å; R59-E70 PolarHBondContact O-N 2.81Å; R68-E70 HydrophobicContact CG-CG 4.36Å; R68-E70 PolarHBondContact O-N 3.27Å; E70-R72 IonicContact OE2-CZ 3.52Å; E70-R72 IonicContact OE2-NH2 3.27Å; E70-R72 PolarHBondContact OE2-NH2 2.92Å
71	P	97.9	Very high	96.9	Very high	48 Å²	48	62.4 Å²	62.4	31%	0.312	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	144.4	172.5	28.9	-33.9	0	0	0	110.6	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.77Å; P71-E77 HydrophobicContact CB-CG 3.71Å; P71-E77 HydrophobicContact CG-CG 3.94Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 3.81Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.24Å
72	R	97.4	Very high	96.8	Very high	120 Å²	120	69 Å²	69	45%	0.453	39%	0.388	S	S	.	.			trans	-126.2	-0.9	174.1	-61	-64.9	171.1	176.9	-2.7	113	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.37Å; Q56-R72 CarbonylContact O-C 3.55Å; F57-R72 PolarHBondContact O-N 3.3Å; R59-R72 HydrophobicContact CB-CG 3.91Å; E70-R72 IonicContact OE2-CZ 3.52Å; E70-R72 IonicContact OE2-NH2 3.27Å; E70-R72 PolarHBondContact OE2-NH2 2.92Å
73	A	96.1	Very high	96.8	Very high	4 Å²	4	67.7 Å²	67.7	3%	0.033	38%	0.378	C	S	.	.	S	Bend	trans	-137.8	143.5	173.2	0	0	0	0	0	111	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.48Å; F57-A73 HydrophobicContact CB-CB 4.09Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.14Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 3.98Å; A73-W75 PolarHBondContact O-N 2.89Å; A73-V76 WeakPolarHBondContact O-CG1 3.42Å; A73-V76 PolarHBondContact O-N 3.22Å
74	P	96.1	Very high	96.8	Very high	101 Å²	101	65.5 Å²	65.5	66%	0.656	36%	0.363	S	S	*	.	H	α-helix	trans	-58.3	-36.2	-177.2	-26.5	34.7	0	0	0	114	V76 E77	P74-V76 PolarHBondContact O-N 2.83Å; P74-E77 WeakPolarHBondContact O-CB 3.49Å; P74-E77 PolarHBondContact O-N 2.95Å; P74-E77 VanDerWaalsContact O-N 3.12Å
75	W	95.7	Very high	96.8	Very high	15 Å²	15	69 Å²	69	6%	0.057	38%	0.377	C	S	.	.	H	α-helix	trans	-70.5	-13.6	-175.8	53.4	-106.4	0	0	0	114.4	V52 F57 A73 Q78 Y195 N198 T202 L203	V52-W75 HydrophobicContact CB-CH2 4.37Å; V52-W75 HydrophobicContact CB-CZ2 4.43Å; V52-W75 HydrophobicContact CG2-CH2 3.84Å; V52-W75 HydrophobicContact CG2-CZ2 4.39Å; F57-W75 HydrophobicContact CB-CH2 3.1Å; F57-W75 HydrophobicContact CB-CZ2 3.33Å; F57-W75 HydrophobicContact CB-CZ3 3.9Å; F57-W75 AromaticContact CD1-CH2 4Å; F57-W75 HydrophobicContact CD1-CH2 4Å; F57-W75 AromaticContact CD2-CH2 3.72Å; F57-W75 HydrophobicContact CD2-CH2 3.72Å; F57-W75 AromaticContact CD2-CZ3 3.95Å; F57-W75 HydrophobicContact CD2-CZ3 3.95Å; F57-W75 AromaticContact CG-CH2 3.36Å; F57-W75 HydrophobicContact CG-CH2 3.36Å; F57-W75 HydrophobicContact CG-CZ2 4.07Å; F57-W75 HydrophobicContact CG-CZ3 4.07Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.14Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 3.98Å; A73-W75 PolarHBondContact O-N 2.89Å; W75-Q78 WeakPolarHBondContact O-CG 3.49Å; W75-Q78 PolarHBondContact O-NE2 2.8Å; W75-Y195 HydrophobicContact CE3-CD1 4.18Å; W75-Y195 HydrophobicContact CE3-CG 4.41Å; W75-Y195 HydrophobicContact CH2-CG 4.1Å; W75-Y195 AromaticContact CZ3-CD1 3.54Å; W75-Y195 HydrophobicContact CZ3-CD1 3.54Å; W75-Y195 HydrophobicContact CZ3-CD2 4.26Å; W75-Y195 HydrophobicContact CZ3-CE1 4.27Å; W75-Y195 AromaticContact CZ3-CG 3.54Å; W75-Y195 HydrophobicContact CZ3-CG 3.54Å; W75-N198 HydrophobicContact CB-CB 4.43Å; W75-T202 VanDerWaalsContact CD1-OG1 3.27Å; W75-L203 HydrophobicContact CD2-CD1 4.39Å; W75-L203 HydrophobicContact CH2-CD1 4.38Å; W75-L203 HydrophobicContact CZ2-CD1 3.83Å; W75-L203 HydrophobicContact CZ2-CD2 4.12Å; W75-L203 HydrophobicContact CZ2-CG 4.39Å
76	V	97.3	Very high	96.9	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-95	-16.3	172.7	71.9	0	0	0	0	112.2	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.41Å; F57-V76 HydrophobicContact CD2-CB 4.36Å; F57-V76 HydrophobicContact CD2-CG1 4.48Å; F57-V76 HydrophobicContact CD2-CG2 4.09Å; F57-V76 VanDerWaalsContact O-CG1 3.26Å; F57-V76 WeakPolarHBondContact O-CG1 3.03Å; P71-V76 HydrophobicContact CB-CG1 3.77Å; A73-V76 WeakPolarHBondContact O-CG1 3.42Å; A73-V76 PolarHBondContact O-N 3.22Å; P74-V76 PolarHBondContact O-N 2.83Å; V76-Q78 PolarHBondContact O-N 2.96Å; V76-E79 HydrophobicContact CG2-CG 3.9Å; V76-E79 VanDerWaalsContact O-CB 3.31Å; V76-E79 WeakPolarHBondContact O-CB 3.16Å; V76-E79 WeakPolarHBondContact O-CG 3.31Å; V76-E79 PolarHBondContact O-N 2.94Å; V76-Y83 HydrophobicContact CG2-CE1 4.06Å; V76-W84 HydrophobicContact CG1-CH2 4.07Å; V76-W84 HydrophobicContact CG1-CZ2 4.31Å; V76-W84 HydrophobicContact CG2-CH2 3.97Å; V76-W84 HydrophobicContact CG2-CZ2 4.02Å; V76-W84 WeakPolarHBondContact O-CZ2 3.28Å; V76-Y195 HydrophobicContact CG2-CE1 4.39Å
77	E	95.6	Very high	96.9	Very high	123 Å²	123	64.6 Å²	64.6	58%	0.575	32%	0.323	S	S	*	.	H	α-helix	trans	-63	-26.4	180	-65.6	-178.6	-176.7	0	0	112.8	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.71Å; P71-E77 HydrophobicContact CG-CG 3.94Å; P74-E77 WeakPolarHBondContact O-CB 3.49Å; P74-E77 PolarHBondContact O-N 2.95Å; P74-E77 VanDerWaalsContact O-N 3.12Å; E77-E79 PolarHBondContact O-N 2.89Å
78	Q	94.7	Very high	97	Very high	121 Å²	121	63.5 Å²	63.5	57%	0.565	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-10.6	175.4	68.1	-174	-26.7	0	0	114.1	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.49Å; W75-Q78 PolarHBondContact O-NE2 2.8Å; V76-Q78 PolarHBondContact O-N 2.96Å; Q78-N198 PolarHBondContact NE2-ND2 2.94Å
79	E	96.8	Very high	97	Very high	11 Å²	11	61.2 Å²	61.2	5%	0.051	31%	0.312	C	S	.	.	S	Bend	trans	-66.9	136.4	175	-65.3	-61.5	160.7	0	0	110.9	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.9Å; V76-E79 VanDerWaalsContact O-CB 3.31Å; V76-E79 WeakPolarHBondContact O-CB 3.16Å; V76-E79 WeakPolarHBondContact O-CG 3.31Å; V76-E79 PolarHBondContact O-N 2.94Å; E77-E79 PolarHBondContact O-N 2.89Å; E79-Y83 HydrophobicContact CB-CD1 3.5Å; E79-Y83 VanDerWaalsContact CB-CD1 3.5Å; E79-Y83 HydrophobicContact CB-CD2 4.45Å; E79-Y83 HydrophobicContact CB-CE1 4.09Å; E79-Y83 HydrophobicContact CB-CG 3.72Å; E79-Y83 HydrophobicContact CG-CD1 4.06Å; E79-Y83 HydrophobicContact CG-CD2 4.42Å; E79-Y83 HydrophobicContact CG-CE1 4.24Å; E79-Y83 HydrophobicContact CG-CG 4.16Å; E79-W84 PolarHBondContact O-NE1 2.67Å; E79-R194 IonicContact OE1-CZ 2.9Å; E79-R194 IonicContact OE1-NE 2.77Å; E79-R194 PolarHBondContact OE1-NE 3.45Å; E79-R194 IonicContact OE1-NH2 3.13Å; E79-R194 PolarHBondContact OE1-NH2 2.8Å; E79-R194 IonicContact OE2-CZ 3.41Å; E79-R194 IonicContact OE2-NE 3.7Å; E79-R194 IonicContact OE2-NH2 3.04Å; E79-R194 PolarHBondContact OE2-NH2 3.14Å; E79-N198 PolarHBondContact OE1-ND2 3.37Å
80	G	95.9	Very high	97	Very high	36 Å²	36	63.4 Å²	63.4	37%	0.371	32%	0.319	S	S	.	.			trans	-71	170.5	-174.1	0	0	0	0	0	114.4	E82 Y83 W84	G80-E82 VanDerWaalsContact C-N 3.26Å; G80-E82 PolarHBondContact O-N 2.92Å; G80-Y83 WeakPolarHBondContact O-CB 3.21Å; G80-Y83 PolarHBondContact O-N 3.48Å; G80-W84 PolarHBondContact O-N 2.95Å
81	P	96.9	Very high	97.1	Very high	98 Å²	98	60.6 Å²	60.6	64%	0.636	31%	0.306	S	S	*	.	H	α-helix	trans	-57.9	-35.9	-178.3	22.7	-33.4	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 3.31Å; P81-W84 PolarHBondContact O-N 2.77Å; P81-W84 VanDerWaalsContact O-N 3.15Å; P81-D85 WeakPolarHBondContact O-CB 3.33Å; P81-D85 PolarHBondContact O-N 2.96Å
82	E	97.4	Very high	97.1	Very high	166 Å²	166	62.4 Å²	62.4	78%	0.776	31%	0.309	S	S	*	.	H	α-helix	trans	-60.2	-35.1	177.7	-63.4	-179.4	178.7	0	0	113	G80 R86	G80-E82 VanDerWaalsContact C-N 3.26Å; G80-E82 PolarHBondContact O-N 2.92Å; E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.03Å; E82-R86 PolarHBondContact O-N 2.93Å
83	Y	97.5	Very high	97.1	Very high	8 Å²	8	64.3 Å²	64.3	3%	0.031	32%	0.316	C	S	.	.	H	α-helix	trans	-64.7	-51.9	174.4	169.2	-91.8	0	0	0	110.1	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.06Å; E79-Y83 HydrophobicContact CB-CD1 3.5Å; E79-Y83 VanDerWaalsContact CB-CD1 3.5Å; E79-Y83 HydrophobicContact CB-CD2 4.45Å; E79-Y83 HydrophobicContact CB-CE1 4.09Å; E79-Y83 HydrophobicContact CB-CG 3.72Å; E79-Y83 HydrophobicContact CG-CD1 4.06Å; E79-Y83 HydrophobicContact CG-CD2 4.42Å; E79-Y83 HydrophobicContact CG-CE1 4.24Å; E79-Y83 HydrophobicContact CG-CG 4.16Å; G80-Y83 WeakPolarHBondContact O-CB 3.21Å; G80-Y83 PolarHBondContact O-N 3.48Å; P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 3.31Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 3.35Å; Y83-R86 PolarHBondContact O-N 3.35Å; Y83-E87 HydrophobicContact CD1-CG 4.4Å; Y83-E87 HydrophobicContact CD2-CG 4.2Å; Y83-E87 HydrophobicContact CE1-CG 4.02Å; Y83-E87 HydrophobicContact CE2-CG 3.77Å; Y83-E87 HydrophobicContact CG-CG 4.48Å; Y83-E87 WeakPolarHBondContact O-CG 3.1Å; Y83-E87 PolarHBondContact O-N 3.38Å; Y83-W191 AromaticContact CD2-CH2 3.62Å; Y83-W191 HydrophobicContact CD2-CH2 3.62Å; Y83-W191 HydrophobicContact CD2-CZ2 4.32Å; Y83-W191 AromaticContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CE2-CE3 4.26Å; Y83-W191 HydrophobicContact CE2-CH2 4.02Å; Y83-W191 AromaticContact CE2-CZ3 3.8Å; Y83-W191 HydrophobicContact CE2-CZ3 3.8Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.37Å; Y83-Y195 PolarHBondContact OH-OH 3.23Å
84	W	98	Very high	97.2	Very high	40 Å²	40	65.2 Å²	65.2	15%	0.152	32%	0.32	C	S	.	.	H	α-helix	trans	-64.5	-37.9	-177.8	-67.3	112.3	0	0	0	113	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 3.93Å; V58-W84 HydrophobicContact CG1-CZ3 3.85Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 3.81Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.24Å; V76-W84 HydrophobicContact CG1-CH2 4.07Å; V76-W84 HydrophobicContact CG1-CZ2 4.31Å; V76-W84 HydrophobicContact CG2-CH2 3.97Å; V76-W84 HydrophobicContact CG2-CZ2 4.02Å; V76-W84 WeakPolarHBondContact O-CZ2 3.28Å; E79-W84 PolarHBondContact O-NE1 2.67Å; G80-W84 PolarHBondContact O-N 2.95Å; P81-W84 PolarHBondContact O-N 2.77Å; P81-W84 VanDerWaalsContact O-N 3.15Å; W84-T88 WeakPolarHBondContact O-CB 3.35Å; W84-T88 PolarHBondContact O-N 3.25Å; W84-T88 PolarHBondContact O-OG1 3.32Å
85	D	98	Very high	97.3	Very high	107 Å²	107	61.3 Å²	61.3	57%	0.572	30%	0.296	S	S	*	.	H	α-helix	trans	-64.5	-47.6	174.4	-75.2	-22.6	0	0	0	110.7	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.33Å; P81-D85 PolarHBondContact O-N 2.96Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 3.35Å; D85-T88 PolarHBondContact O-N 2.81Å; D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.49Å; D85-Q89 PolarHBondContact O-N 2.9Å
86	R	97.3	Very high	97.4	Very high	100 Å²	100	65.6 Å²	65.6	38%	0.377	32%	0.317	S	S	.	.	H	α-helix	trans	-61.3	-47.3	178.5	-175.7	-177.6	65.6	-143.4	-4.7	112	E82 Y83 Q89 K90	E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.03Å; E82-R86 PolarHBondContact O-N 2.93Å; Y83-R86 PolarHBondContact O-N 3.35Å; R86-Q89 PolarHBondContact O-N 2.97Å; R86-K90 WeakPolarHBondContact O-CG 3.23Å; R86-K90 PolarHBondContact O-N 2.94Å
87	E	97.5	Very high	97.4	Very high	6 Å²	6	69 Å²	69	3%	0.028	34%	0.338	C	S	.	.	H	α-helix	trans	-65.6	-42	179.1	-66.2	-47.7	117.7	0	0	111.2	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.4Å; Y83-E87 HydrophobicContact CD2-CG 4.2Å; Y83-E87 HydrophobicContact CE1-CG 4.02Å; Y83-E87 HydrophobicContact CE2-CG 3.77Å; Y83-E87 HydrophobicContact CG-CG 4.48Å; Y83-E87 WeakPolarHBondContact O-CG 3.1Å; Y83-E87 PolarHBondContact O-N 3.38Å; E87-Q89 VanDerWaalsContact C-N 3.31Å; E87-Q89 PolarHBondContact O-N 3.28Å; E87-K90 WeakPolarHBondContact O-CB 3.43Å; E87-K90 PolarHBondContact O-N 2.69Å; E87-K90 VanDerWaalsContact O-N 3.11Å; E87-K90 IonicContact OE1-NZ 3.76Å; E87-K90 PolarHBondContact OE1-NZ 3.11Å; E87-K90 IonicContact OE2-NZ 3.68Å; E87-Y91 HydrophobicContact CB-CE2 4.04Å; E87-Y91 WeakPolarHBondContact O-CD2 3.39Å; E87-Y91 PolarHBondContact O-N 2.85Å
88	T	98.4	Very high	97.5	Very high	12 Å²	12	63.2 Å²	63.2	7%	0.074	31%	0.311	C	S	.	.	H	α-helix	trans	-57.2	-43.7	173.6	-64.1	0	0	0	0	112	R68 G69 W84 D85 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.2Å; G69-T88 PolarHBondContact N-OG1 2.84Å; W84-T88 WeakPolarHBondContact O-CB 3.35Å; W84-T88 PolarHBondContact O-N 3.25Å; W84-T88 PolarHBondContact O-OG1 3.32Å; D85-T88 PolarHBondContact O-N 2.81Å; T88-Y91 PolarHBondContact O-N 2.82Å; T88-K92 HydrophobicContact CG2-CD 4.17Å; T88-K92 WeakPolarHBondContact O-CG 3.48Å; T88-K92 PolarHBondContact O-N 3.43Å
89	Q	98.3	Very high	97.7	Very high	105 Å²	105	60.5 Å²	60.5	49%	0.491	30%	0.295	S	S	.	.	H	α-helix	trans	-68.5	-34.9	177.1	-67.7	-58.7	-28.4	0	0	112.6	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.49Å; D85-Q89 PolarHBondContact O-N 2.9Å; R86-Q89 PolarHBondContact O-N 2.97Å; E87-Q89 VanDerWaalsContact C-N 3.31Å; E87-Q89 PolarHBondContact O-N 3.28Å; Q89-R93 WeakPolarHBondContact O-CB 3.22Å; Q89-R93 WeakPolarHBondContact O-CG 3.45Å; Q89-R93 PolarHBondContact O-N 3.48Å
90	K	97.3	Very high	97.7	Very high	52 Å²	52	63.5 Å²	63.5	23%	0.226	31%	0.314	C	S	.	.	H	α-helix	trans	-61.1	-49.6	172.1	-74.2	174.6	179.2	173.8	0	110.9	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.23Å; R86-K90 PolarHBondContact O-N 2.94Å; E87-K90 WeakPolarHBondContact O-CB 3.43Å; E87-K90 PolarHBondContact O-N 2.69Å; E87-K90 VanDerWaalsContact O-N 3.11Å; E87-K90 IonicContact OE1-NZ 3.76Å; E87-K90 PolarHBondContact OE1-NZ 3.11Å; E87-K90 IonicContact OE2-NZ 3.68Å; K90-K92 PolarHBondContact O-N 2.69Å; K90-R93 PolarHBondContact O-N 3.41Å; K90-Q94 PolarHBondContact O-N 3.02Å
91	Y	98.5	Very high	97.8	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.5	-43.8	178	-61.4	-47.4	0	0	0	112.5	Y33 A48 V58 F60 E87 T88 R93 Q94 A95	Y33-Y91 HydrophobicContact CE1-CD1 4.13Å; Y33-Y91 AromaticContact CE1-CE1 3.84Å; Y33-Y91 HydrophobicContact CE1-CE1 3.84Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.48Å; A48-Y91 HydrophobicContact CB-CD1 3.6Å; A48-Y91 HydrophobicContact CB-CE1 3.7Å; A48-Y91 HydrophobicContact CB-CG 4.41Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.33Å; F60-Y91 HydrophobicContact CB-CD1 4.35Å; F60-Y91 HydrophobicContact CB-CD2 3.52Å; F60-Y91 HydrophobicContact CB-CE2 3.99Å; F60-Y91 HydrophobicContact CB-CG 3.73Å; F60-Y91 HydrophobicContact CD1-CG 4.4Å; F60-Y91 AromaticContact CD2-CD2 3.71Å; F60-Y91 HydrophobicContact CD2-CD2 3.71Å; F60-Y91 AromaticContact CD2-CG 3.99Å; F60-Y91 HydrophobicContact CD2-CG 3.99Å; F60-Y91 AromaticContact CG-CD2 3.79Å; F60-Y91 HydrophobicContact CG-CD2 3.79Å; F60-Y91 AromaticContact CG-CG 3.79Å; F60-Y91 HydrophobicContact CG-CG 3.79Å; E87-Y91 HydrophobicContact CB-CE2 4.04Å; E87-Y91 WeakPolarHBondContact O-CD2 3.39Å; E87-Y91 PolarHBondContact O-N 2.85Å; T88-Y91 PolarHBondContact O-N 2.82Å; Y91-R93 PolarHBondContact O-N 3.48Å; Y91-Q94 PolarHBondContact O-N 3.37Å; Y91-A95 WeakPolarHBondContact O-CB 3.31Å; Y91-A95 PolarHBondContact O-N 3.23Å
92	K	98.3	Very high	97.8	Very high	85 Å²	85	59.2 Å²	59.2	37%	0.37	28%	0.28	S	S	.	.	H	α-helix	trans	-62.7	-40.8	177	-73.8	178.8	179.2	176.6	0	112.7	F60 P67 T88 K90 A95 Q96	F60-K92 HydrophobicContact CE2-CG 4.25Å; F60-K92 HydrophobicContact CZ-CG 4.04Å; P67-K92 WeakPolarHBondContact O-CE 3.11Å; P67-K92 PolarHBondContact O-NZ 3.2Å; T88-K92 HydrophobicContact CG2-CD 4.17Å; T88-K92 WeakPolarHBondContact O-CG 3.48Å; T88-K92 PolarHBondContact O-N 3.43Å; K90-K92 PolarHBondContact O-N 2.69Å; K92-A95 PolarHBondContact O-N 3.44Å; K92-Q96 PolarHBondContact O-N 3.03Å
93	R	98.2	Very high	97.7	Very high	160 Å²	160	57.1 Å²	57.1	60%	0.604	27%	0.265	S	S	*	.	H	α-helix	trans	-65.9	-40.4	175	-75.1	-173.5	-64.4	168.1	0.7	111.9	Q89 K90 Y91 Q96 T97	Q89-R93 WeakPolarHBondContact O-CB 3.22Å; Q89-R93 WeakPolarHBondContact O-CG 3.45Å; Q89-R93 PolarHBondContact O-N 3.48Å; K90-R93 PolarHBondContact O-N 3.41Å; Y91-R93 PolarHBondContact O-N 3.48Å; R93-Q96 PolarHBondContact O-N 2.96Å; R93-T97 PolarHBondContact O-N 2.92Å; R93-T97 PolarHBondContact O-OG1 3.07Å
94	Q	98.1	Very high	97.7	Very high	24 Å²	24	60.1 Å²	60.1	11%	0.112	28%	0.282	C	S	.	.	H	α-helix	trans	-64.4	-44.7	175.9	-173.4	66	55.3	0	0	111.4	Y33 F46 K90 Y91 Q96 T97 D98	Y33-Q94 HydrophobicContact CD2-CG 3.55Å; Y33-Q94 HydrophobicContact CE2-CB 4.36Å; Y33-Q94 HydrophobicContact CE2-CG 3.74Å; Y33-Q94 HydrophobicContact CG-CG 4.48Å; F46-Q94 HydrophobicContact CE2-CB 4.28Å; F46-Q94 HydrophobicContact CE2-CG 3.73Å; F46-Q94 HydrophobicContact CZ-CB 3.93Å; F46-Q94 HydrophobicContact CZ-CG 3.74Å; K90-Q94 PolarHBondContact O-N 3.02Å; Y91-Q94 PolarHBondContact O-N 3.37Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 2.94Å; Q94-T97 CarbonylContact O-C 3.53Å; Q94-T97 WeakPolarHBondContact O-CA 3.23Å; Q94-T97 WeakPolarHBondContact O-CB 3.47Å; Q94-T97 PolarHBondContact O-N 3.18Å; Q94-D98 PolarHBondContact NE2-OD1 3.25Å; Q94-D98 PolarHBondContact NE2-OD2 2.8Å; Q94-D98 PolarHBondContact O-N 3.27Å
95	A	98.2	Very high	97.7	Very high	18 Å²	18	58.7 Å²	58.7	15%	0.149	28%	0.277	C	S	.	.	H	α-helix	trans	-56.5	-41.3	176.9	0	0	0	0	0	112.5	F46 Y91 K92 R99	F46-A95 HydrophobicContact CB-CB 3.74Å; F46-A95 HydrophobicContact CD1-CB 3.75Å; F46-A95 HydrophobicContact CD2-CB 4.11Å; F46-A95 HydrophobicContact CE1-CB 4.37Å; F46-A95 HydrophobicContact CG-CB 3.59Å; Y91-A95 WeakPolarHBondContact O-CB 3.31Å; Y91-A95 PolarHBondContact O-N 3.23Å; K92-A95 PolarHBondContact O-N 3.44Å; A95-R99 WeakPolarHBondContact O-CB 3.32Å; A95-R99 PolarHBondContact O-N 3.42Å
96	Q	97.8	Very high	97.6	Very high	106 Å²	106	56.6 Å²	56.6	50%	0.495	26%	0.261	S	S	.	.	H	α-helix	trans	-67.9	-37.4	174.2	-66.4	-56	-40.1	0	0	112.5	K92 R93 Q94 R99 V100	K92-Q96 PolarHBondContact O-N 3.03Å; R93-Q96 PolarHBondContact O-N 2.96Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 2.94Å; Q96-R99 WeakPolarHBondContact O-CB 3.34Å; Q96-V100 WeakPolarHBondContact O-CG2 3.38Å; Q96-V100 PolarHBondContact O-N 3.03Å
97	T	97.6	Very high	97.5	Very high	72 Å²	72	53.9 Å²	53.9	44%	0.442	26%	0.264	S	S	.	.	H	α-helix	trans	-62.6	-48.5	175.6	-57.7	0	0	0	0	110.5	R93 Q94 R99 V100 S101	R93-T97 PolarHBondContact O-N 2.92Å; R93-T97 PolarHBondContact O-OG1 3.07Å; Q94-T97 CarbonylContact O-C 3.53Å; Q94-T97 WeakPolarHBondContact O-CA 3.23Å; Q94-T97 WeakPolarHBondContact O-CB 3.47Å; Q94-T97 PolarHBondContact O-N 3.18Å; T97-R99 VanDerWaalsContact C-N 3.32Å; T97-R99 PolarHBondContact O-N 2.66Å; T97-V100 PolarHBondContact O-N 3.18Å; T97-V100 VanDerWaalsContact O-N 3.1Å; T97-S101 PolarHBondContact O-N 2.97Å; T97-S101 PolarHBondContact O-OG 2.87Å; T97-S101 VanDerWaalsContact O-OG 3.09Å
98	D	97.8	Very high	97.6	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-67.7	-33.3	-178.7	-68.1	-14.6	0	0	0	112.2	A35 F46 Q94 V100 S101 L102	A35-D98 HydrophobicContact CB-CB 3.57Å; F46-D98 VanDerWaalsContact CE2-OD2 3.25Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.33Å; Q94-D98 PolarHBondContact NE2-OD1 3.25Å; Q94-D98 PolarHBondContact NE2-OD2 2.8Å; Q94-D98 PolarHBondContact O-N 3.27Å; D98-V100 VanDerWaalsContact C-N 3.33Å; D98-V100 PolarHBondContact O-N 2.62Å; D98-S101 PolarHBondContact O-N 3.43Å; D98-L102 WeakPolarHBondContact O-CB 3.16Å; D98-L102 WeakPolarHBondContact O-CG 3.45Å; D98-L102 PolarHBondContact O-N 3.42Å
99	R	97.3	Very high	97.5	Very high	64 Å²	64	59 Å²	59	24%	0.242	28%	0.283	C	S	.	.	H	α-helix	trans	-57.6	-44.7	169.8	176.2	-169.2	-177.7	-162	2.9	112.1	E43 P44 A95 Q96 T97 R103	E43-R99 VanDerWaalsContact CD-NE 3.3Å; E43-R99 IonicContact OE1-CZ 3.19Å; E43-R99 IonicContact OE1-NE 3.45Å; E43-R99 IonicContact OE1-NH2 2.79Å; E43-R99 PolarHBondContact OE1-NH2 3.19Å; E43-R99 VanDerWaalsContact OE2-CD 3.32Å; E43-R99 WeakPolarHBondContact OE2-CD 3.45Å; E43-R99 IonicContact OE2-CZ 3.83Å; E43-R99 IonicContact OE2-NE 3.14Å; E43-R99 PolarHBondContact OE2-NE 2.98Å; E43-R99 IonicContact OE2-NH2 3.31Å; E43-R99 PolarHBondContact OE2-NH2 2.85Å; P44-R99 HydrophobicContact CG-CB 4.26Å; P44-R99 HydrophobicContact CG-CG 4.13Å; A95-R99 WeakPolarHBondContact O-CB 3.32Å; A95-R99 PolarHBondContact O-N 3.42Å; Q96-R99 WeakPolarHBondContact O-CB 3.34Å; T97-R99 VanDerWaalsContact C-N 3.32Å; T97-R99 PolarHBondContact O-N 2.66Å; R99-R103 VanDerWaalsContact CZ-NH2 3.34Å
100	V	97.3	Very high	97.4	Very high	73 Å²	73	61.3 Å²	61.3	44%	0.442	30%	0.298	S	S	.	.	H	α-helix	trans	-70	-42.1	176.8	174.8	0	0	0	0	110.4	Q96 T97 D98 L102 R103 N104	Q96-V100 WeakPolarHBondContact O-CG2 3.38Å; Q96-V100 PolarHBondContact O-N 3.03Å; T97-V100 PolarHBondContact O-N 3.18Å; T97-V100 VanDerWaalsContact O-N 3.1Å; D98-V100 VanDerWaalsContact C-N 3.33Å; D98-V100 PolarHBondContact O-N 2.62Å; V100-L102 VanDerWaalsContact C-N 3.35Å; V100-L102 PolarHBondContact O-N 3.32Å; V100-R103 PolarHBondContact O-N 3.08Å; V100-N104 PolarHBondContact O-N 3.43Å
101	S	97.6	Very high	97.4	Very high	35 Å²	35	61.7 Å²	61.7	25%	0.245	30%	0.301	C	S	.	.	H	α-helix	trans	-58.8	-43.4	176.8	-62.1	0	0	0	0	112.1	T97 D98 R103 N104 L105 I119	T97-S101 PolarHBondContact O-N 2.97Å; T97-S101 PolarHBondContact O-OG 2.87Å; T97-S101 VanDerWaalsContact O-OG 3.09Å; D98-S101 PolarHBondContact O-N 3.43Å; S101-R103 VanDerWaalsContact C-N 3.27Å; S101-R103 PolarHBondContact O-N 3.11Å; S101-N104 PolarHBondContact O-N 2.82Å; S101-N104 VanDerWaalsContact O-N 3.1Å; S101-L105 WeakPolarHBondContact O-CB 3.36Å; S101-L105 VanDerWaalsContact O-CG 3.32Å; S101-L105 WeakPolarHBondContact O-CG 3.37Å; S101-L105 PolarHBondContact O-N 3.2Å; S101-I119 VanDerWaalsContact CB-CD1 3.47Å
102	L	97.9	Very high	97.2	Very high	9 Å²	9	65.4 Å²	65.4	5%	0.047	33%	0.327	C	S	.	.	H	α-helix	trans	-57.7	-39	177	-81.1	163.7	0	0	0	112.1	A35 P44 D98 V100 R106 H117 I119 Y142	A35-L102 HydrophobicContact CB-CD1 4.07Å; P44-L102 HydrophobicContact CB-CD1 3.58Å; P44-L102 HydrophobicContact CG-CD1 3.72Å; D98-L102 WeakPolarHBondContact O-CB 3.16Å; D98-L102 WeakPolarHBondContact O-CG 3.45Å; D98-L102 PolarHBondContact O-N 3.42Å; V100-L102 VanDerWaalsContact C-N 3.35Å; V100-L102 PolarHBondContact O-N 3.32Å; L102-R106 WeakPolarHBondContact O-CB 3.39Å; L102-R106 PolarHBondContact O-N 3.43Å; L102-H117 HydrophobicContact CD2-CB 4.03Å; L102-I119 HydrophobicContact CB-CD1 4.34Å; L102-I119 HydrophobicContact CD2-CD1 3.92Å; L102-I119 HydrophobicContact CD2-CG1 3.71Å; L102-I119 HydrophobicContact CG-CD1 3.67Å; L102-I119 HydrophobicContact CG-CG1 4Å; L102-Y142 HydrophobicContact CD2-CE2 4.25Å
103	R	95.7	Very high	96.9	Very high	122 Å²	122	67.9 Å²	67.9	46%	0.46	34%	0.34	S	S	.	.	H	α-helix	trans	-69.6	-41.7	175.8	-64.5	177.5	-169.3	169.1	1.1	112	R99 V100 S101 G107	R99-R103 VanDerWaalsContact CZ-NH2 3.34Å; V100-R103 PolarHBondContact O-N 3.08Å; S101-R103 VanDerWaalsContact C-N 3.27Å; S101-R103 PolarHBondContact O-N 3.11Å; R103-G107 PolarHBondContact O-N 3.24Å
104	N	96.7	Very high	96.6	Very high	72 Å²	72	64.5 Å²	64.5	39%	0.385	35%	0.346	S	S	.	.	H	α-helix	trans	-65.8	-47.4	179.5	-70.4	-22	0	0	0	111.6	V100 S101 R106 G107 Y108	V100-N104 PolarHBondContact O-N 3.43Å; S101-N104 PolarHBondContact O-N 2.82Å; S101-N104 VanDerWaalsContact O-N 3.1Å; N104-R106 PolarHBondContact O-N 2.98Å; N104-G107 CarbonylContact O-C 3.6Å; N104-G107 WeakPolarHBondContact O-CA 3.47Å; N104-G107 PolarHBondContact O-N 3.22Å; N104-Y108 WeakPolarHBondContact O-CD1 3.44Å; N104-Y108 PolarHBondContact O-N 3.26Å
105	L	97.7	Very high	96.4	Very high	10 Å²	10	64.4 Å²	64.4	5%	0.052	35%	0.351	C	S	.	.	H	α-helix	trans	-62	-44.6	-179.8	-68.6	177	0	0	0	111.3	S101 G107 Y108 Y109 I119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.36Å; S101-L105 VanDerWaalsContact O-CG 3.32Å; S101-L105 WeakPolarHBondContact O-CG 3.37Å; S101-L105 PolarHBondContact O-N 3.2Å; L105-G107 PolarHBondContact O-N 3.49Å; L105-Y108 HydrophobicContact CD2-CD2 4.28Å; L105-Y108 PolarHBondContact O-N 3.4Å; L105-Y109 HydrophobicContact CD2-CE2 4.37Å; L105-Y109 VanDerWaalsContact O-CD2 3.26Å; L105-Y109 WeakPolarHBondContact O-CD2 3.29Å; L105-Y109 PolarHBondContact O-N 3.01Å; L105-I119 HydrophobicContact CD1-CD1 3.4Å; L105-I119 VanDerWaalsContact CD1-CD1 3.4Å; L105-I119 HydrophobicContact CD1-CG1 3.59Å; L105-I119 HydrophobicContact CG-CD1 4.48Å; L105-Y142 HydrophobicContact CB-CD1 4.35Å; L105-Y142 HydrophobicContact CB-CD2 4.23Å; L105-Y142 HydrophobicContact CB-CE1 3.97Å; L105-Y142 HydrophobicContact CB-CE2 3.86Å; L105-Y142 HydrophobicContact CB-CG 4.46Å; L105-Y142 HydrophobicContact CD1-CD1 4.41Å; L105-Y142 HydrophobicContact CD1-CD2 3.42Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.42Å; L105-Y142 HydrophobicContact CD1-CE2 3.8Å; L105-Y142 HydrophobicContact CD1-CG 3.76Å; L105-Y142 HydrophobicContact CG-CD2 4.43Å; L105-Y142 HydrophobicContact CG-CE2 4.5Å; L105-Y147 HydrophobicContact CD2-CD2 4.23Å; L105-Y147 HydrophobicContact CD2-CE1 3.84Å; L105-Y147 HydrophobicContact CD2-CE2 3.47Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.47Å; L105-Y147 VanDerWaalsContact CD2-OH 3.26Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.28Å
106	R	96.3	Very high	96.3	Very high	62 Å²	62	67 Å²	67	23%	0.234	37%	0.369	C	S	.	.	H	α-helix	trans	-52.9	-41.4	172.8	-172.2	-173.1	66.6	178.8	9.2	111.9	L102 N104 N110 Q111 S112 E113	L102-R106 WeakPolarHBondContact O-CB 3.39Å; L102-R106 PolarHBondContact O-N 3.43Å; N104-R106 PolarHBondContact O-N 2.98Å; R106-N110 PolarHBondContact O-N 3.15Å; R106-N110 VanDerWaalsContact O-N 3.13Å; R106-Q111 HydrophobicContact CG-CB 3.79Å; R106-Q111 WeakPolarHBondContact CG-O 3.33Å; R106-Q111 PolarHBondContact O-N 3.36Å; R106-S112 WeakPolarHBondContact CD-O 3.47Å; R106-E113 IonicContact CZ-OE1 2.77Å; R106-E113 IonicContact NH1-OE1 3.71Å; R106-E113 PolarHBondContact NH1-OE1 2.63Å; R106-E113 IonicContact NH2-OE1 3.03Å; R106-E113 PolarHBondContact NH2-OE1 2.86Å
107	G	96.3	Very high	96.3	Very high	43 Å²	43	62.7 Å²	62.7	44%	0.443	35%	0.348	S	S	.	.	H	α-helix	trans	-66.6	-43.4	174.2	0	0	0	0	0	113.4	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.24Å; N104-G107 CarbonylContact O-C 3.6Å; N104-G107 WeakPolarHBondContact O-CA 3.47Å; N104-G107 PolarHBondContact O-N 3.22Å; L105-G107 PolarHBondContact O-N 3.49Å; G107-Y109 VanDerWaalsContact C-N 3.28Å; G107-Y109 PolarHBondContact O-N 2.82Å; G107-N110 PolarHBondContact O-N 2.75Å
108	Y	97.7	Very high	96.4	Very high	59 Å²	59	62.1 Å²	62.1	23%	0.231	34%	0.342	C	S	.	.	H	α-helix	trans	-63.8	-34.8	179.6	-64.3	-8.4	0	0	0	112.6	N104 L105 I166 K170	N104-Y108 WeakPolarHBondContact O-CD1 3.44Å; N104-Y108 PolarHBondContact O-N 3.26Å; L105-Y108 HydrophobicContact CD2-CD2 4.28Å; L105-Y108 PolarHBondContact O-N 3.4Å; Y108-I166 HydrophobicContact CD1-CD1 4.22Å; Y108-I166 HydrophobicContact CD2-CB 4.5Å; Y108-I166 HydrophobicContact CD2-CD1 4.36Å; Y108-I166 HydrophobicContact CE1-CD1 4.5Å; Y108-I166 HydrophobicContact CE1-CG2 4.32Å; Y108-I166 HydrophobicContact CE2-CB 4.15Å; Y108-I166 HydrophobicContact CE2-CG2 3.95Å; Y108-I166 HydrophobicContact CG-CD1 4.18Å; Y108-K170 PolarHBondContact OH-NZ 2.88Å
109	Y	97.6	Very high	96.4	Very high	68 Å²	68	62.3 Å²	62.3	27%	0.267	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	4.9	178.4	-68.7	-73	0	0	0	114	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.37Å; L105-Y109 VanDerWaalsContact O-CD2 3.26Å; L105-Y109 WeakPolarHBondContact O-CD2 3.29Å; L105-Y109 PolarHBondContact O-N 3.01Å; G107-Y109 VanDerWaalsContact C-N 3.28Å; G107-Y109 PolarHBondContact O-N 2.82Å; Y109-Q111 PolarHBondContact O-N 2.91Å; Y109-Y142 AromaticContact CD2-CD1 3.69Å; Y109-Y142 HydrophobicContact CD2-CD1 3.69Å; Y109-Y142 AromaticContact CD2-CE1 3.46Å; Y109-Y142 HydrophobicContact CD2-CE1 3.46Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.46Å; Y109-Y142 AromaticContact CE2-CD1 3.47Å; Y109-Y142 HydrophobicContact CE2-CD1 3.47Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.47Å; Y109-Y142 AromaticContact CE2-CE1 3.78Å; Y109-Y142 HydrophobicContact CE2-CE1 3.78Å; Y109-Y142 HydrophobicContact CE2-CG 4.49Å; Y109-Y142 HydrophobicContact CG-CE1 4.34Å; Y109-Y147 HydrophobicContact CE2-CD2 4.37Å; Y109-Y147 HydrophobicContact CE2-CE2 4.07Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.44Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.05Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.4Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 2.9Å; Y109-D161 PolarHBondContact OH-OD2 3.39Å; Y109-A163 HydrophobicContact CD1-CB 4.2Å; Y109-A163 HydrophobicContact CD2-CB 4.42Å; Y109-A163 HydrophobicContact CE1-CB 3.64Å; Y109-A163 HydrophobicContact CE2-CB 3.88Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å
110	N	96.6	Very high	96.5	Very high	152 Å²	152	63.1 Å²	63.1	81%	0.813	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	39.5	-178.1	-57.3	-58.9	0	0	0	113.5	R106 G107	R106-N110 PolarHBondContact O-N 3.15Å; R106-N110 VanDerWaalsContact O-N 3.13Å; G107-N110 PolarHBondContact O-N 2.75Å
111	Q	96.6	Very high	96.6	Very high	61 Å²	61	61 Å²	61	29%	0.285	33%	0.334	S	S	.	.			trans	-88.3	155.6	-177	-70.1	165.2	-32.8	0	0	111.9	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.79Å; R106-Q111 WeakPolarHBondContact CG-O 3.33Å; R106-Q111 PolarHBondContact O-N 3.36Å; Y109-Q111 PolarHBondContact O-N 2.91Å; Q111-H117 PolarHBondContact NE2-CE1 2.89Å; Q111-H117 PolarHBondContact OE1-CE1 3.34Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.25Å; Q111-Y142 PolarHBondContact OE1-OH 2.77Å; Q111-D143 PolarHBondContact NE2-OD2 2.94Å
112	S	94.4	Very high	96.6	Very high	78 Å²	78	60.3 Å²	60.3	55%	0.545	33%	0.327	S	S	.	.			trans	-75.6	155.2	-177.9	76.9	0	0	0	0	112.5	R106 A114 G115	R106-S112 WeakPolarHBondContact CD-O 3.47Å; S112-A114 PolarHBondContact O-N 3.41Å; S112-G115 PolarHBondContact O-N 2.92Å
113	E	91.3	Very high	96.6	Very high	137 Å²	137	60.9 Å²	60.9	64%	0.64	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-18.4	178.2	-53.9	-153	125.9	0	0	114.1	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.33Å; P39-E113 VanDerWaalsContact CG-O 3.27Å; P39-E113 WeakPolarHBondContact CG-O 3.46Å; R106-E113 IonicContact CZ-OE1 2.77Å; R106-E113 IonicContact NH1-OE1 3.71Å; R106-E113 PolarHBondContact NH1-OE1 2.63Å; R106-E113 IonicContact NH2-OE1 3.03Å; R106-E113 PolarHBondContact NH2-OE1 2.86Å; E113-G115 VanDerWaalsContact C-N 3.31Å
114	A	92.4	Very high	96.8	Very high	88 Å²	88	55.1 Å²	55.1	73%	0.727	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-15.8	-179.6	0	0	0	0	0	113	S112	S112-A114 PolarHBondContact O-N 3.41Å
115	G	93.3	Very high	96.9	Very high	22 Å²	22	51.7 Å²	51.7	23%	0.227	29%	0.288	C	S	.	.			trans	-73.5	134.3	179.3	0	0	0	0	0	113	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.43Å; S112-G115 PolarHBondContact O-N 2.92Å; E113-G115 VanDerWaalsContact C-N 3.31Å; G115-H117 PolarHBondContact O-CD2 3.37Å
116	S	97.2	Very high	96.9	Very high	73 Å²	73	52.6 Å²	52.6	51%	0.51	29%	0.293	S	S	.	.			trans	-81.3	135.2	164.2	-179.4	0	0	0	0	108.9	S37	S37-S116 PolarHBondContact O-OG 3.09Å
117	H	98.2	Very high	96.9	Very high	16 Å²	16	49.7 Å²	49.7	7%	0.074	28%	0.282	C	S	.	.			trans	-135.6	152.5	-175.3	-64.3	-74.2	0	0	0	110.7	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.4Å; S37-H117 PolarHBondContact N-O 3.46Å; S37-H117 PolarHBondContact OG-N 2.95Å; S37-H117 PolarHBondContact OG-O 3.46Å; L102-H117 HydrophobicContact CD2-CB 4.03Å; Q111-H117 PolarHBondContact NE2-CE1 2.89Å; Q111-H117 PolarHBondContact OE1-CE1 3.34Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.25Å; G115-H117 PolarHBondContact O-CD2 3.37Å; H117-Y142 HydrophobicContact CB-CE2 3.84Å; H117-Y142 WeakPolarHBondContact CB-OH 3.12Å; H117-Y142 VanDerWaalsContact CG-OH 3.23Å; H117-Y142 AromaticContact ND1-CZ 3.92Å; H117-Y142 PolarHBondContact ND1-OH 3.05Å; H117-D143 WeakPolarHBondContact CA-OD1 3.23Å; H117-D143 WeakPolarHBondContact CB-OD1 3.37Å; H117-D143 IonicContact CE1-OD2 3.66Å; H117-D143 IonicContact CG-OD1 2.6Å; H117-D143 IonicContact CG-OD2 2.68Å; H117-D143 IonicContact ND1-OD1 3.54Å; H117-D143 PolarHBondContact ND1-OD1 2.92Å; H117-D143 IonicContact ND1-OD2 2.71Å; H117-D143 PolarHBondContact ND1-OD2 2.9Å
118	I	98.4	Very high	96.9	Very high	60 Å²	60	47.9 Å²	47.9	31%	0.308	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130.7	-175.3	-54.1	-179.7	0	0	0	109.5	T34 A35 V36 Q120 Y142 D143	T34-I118 HydrophobicContact CG2-CG2 3.9Å; A35-I118 WeakPolarHBondContact O-CA 3.34Å; V36-I118 HydrophobicContact CG1-CG1 4.15Å; V36-I118 HydrophobicContact CG2-CD1 4.43Å; V36-I118 HydrophobicContact CG2-CG1 4.13Å; V36-I118 HydrophobicContact CG2-CG2 4.3Å; I118-Q120 HydrophobicContact CG2-CG 3.89Å; I118-Y142 CarbonylContact O-C 3.49Å; I118-Y142 WeakPolarHBondContact O-CA 3.44Å; I118-Y142 WeakPolarHBondContact O-CD2 3.32Å; I118-D143 PolarHBondContact N-OD1 2.83Å; I118-D143 PolarHBondContact O-N 3.4Å
119	I	98.5	Very high	96.5	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.026	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	134.6	161.9	-64.3	173.5	0	0	0	108	T34 A35 S101 L102 L105 Y140 A141 Y142	T34-I119 WeakPolarHBondContact CA-O 3.48Å; A35-I119 PolarHBondContact N-O 3.4Å; A35-I119 PolarHBondContact O-N 2.93Å; S101-I119 VanDerWaalsContact CB-CD1 3.47Å; L102-I119 HydrophobicContact CB-CD1 4.34Å; L102-I119 HydrophobicContact CD2-CD1 3.92Å; L102-I119 HydrophobicContact CD2-CG1 3.71Å; L102-I119 HydrophobicContact CG-CD1 3.67Å; L102-I119 HydrophobicContact CG-CG1 4Å; L105-I119 HydrophobicContact CD1-CD1 3.4Å; L105-I119 VanDerWaalsContact CD1-CD1 3.4Å; L105-I119 HydrophobicContact CD1-CG1 3.59Å; L105-I119 HydrophobicContact CG-CD1 4.48Å; I119-Y140 HydrophobicContact CG2-CD1 4.03Å; I119-A141 WeakPolarHBondContact CA-O 3.46Å; I119-Y142 HydrophobicContact CG1-CD2 3.76Å; I119-Y142 HydrophobicContact CG1-CE2 4.2Å
120	Q	98.8	Very high	96.2	Very high	80 Å²	80	51.1 Å²	51.1	37%	0.374	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	142.4	171.1	-62.6	171.3	-86.9	0	0	109.3	Y33 T34 I118 Y140 A141	Y33-Q120 CarbonylContact O-C 3.59Å; Y33-Q120 VanDerWaalsContact O-CA 3.26Å; Y33-Q120 WeakPolarHBondContact O-CA 3.43Å; T34-Q120 HydrophobicContact CG2-CG 4.17Å; I118-Q120 HydrophobicContact CG2-CG 3.89Å; Q120-Y140 CarbonylContact O-C 3.59Å; Q120-Y140 VanDerWaalsContact O-CA 3.24Å; Q120-Y140 WeakPolarHBondContact O-CA 3.31Å; Q120-A141 HydrophobicContact CB-CB 4.36Å; Q120-A141 PolarHBondContact N-O 2.9Å; Q120-A141 PolarHBondContact O-N 3.38Å
121	R	98.6	Very high	95.9	Very high	29 Å²	29	44.5 Å²	44.5	11%	0.109	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	133.7	172.2	-173.6	-167.7	-174.3	178.1	-0.3	109.1	F32 Y33 Y123 D138 Q139 Y140	F32-R121 CarbonylContact C-O 3.52Å; F32-R121 WeakPolarHBondContact CA-O 3.41Å; Y33-R121 PolarHBondContact N-O 3.49Å; Y33-R121 PolarHBondContact O-N 2.92Å; R121-Y123 HydrophobicContact CG-CD1 4.31Å; R121-D138 IonicContact CZ-OD1 2.69Å; R121-D138 IonicContact NE-OD1 3.41Å; R121-D138 PolarHBondContact NE-OD1 2.88Å; R121-D138 IonicContact NH2-OD1 3.38Å; R121-D138 PolarHBondContact NH2-OD1 3.34Å; R121-D138 IonicContact NH2-OD2 3.28Å; R121-Q139 CarbonylContact C-O 3.6Å; R121-Q139 VanDerWaalsContact CA-O 3.31Å; R121-Q139 WeakPolarHBondContact CA-O 3.4Å; R121-Y140 HydrophobicContact CB-CD1 3.83Å; R121-Y140 HydrophobicContact CB-CE1 3.69Å; R121-Y140 HydrophobicContact CB-CG 4.41Å; R121-Y140 VanDerWaalsContact CD-OH 3.25Å; R121-Y140 WeakPolarHBondContact CD-OH 3.39Å; R121-Y140 HydrophobicContact CG-CD1 4Å; R121-Y140 HydrophobicContact CG-CD2 4.16Å; R121-Y140 HydrophobicContact CG-CE1 3.65Å; R121-Y140 HydrophobicContact CG-CE2 3.8Å; R121-Y140 HydrophobicContact CG-CG 4.26Å; R121-Y140 VanDerWaalsContact CZ-OH 3.24Å; R121-Y140 PolarHBondContact NE-OH 3.37Å; R121-Y140 VanDerWaalsContact NE-OH 3.11Å; R121-Y140 PolarHBondContact NH1-OH 2.82Å
122	M	98.7	Very high	95.9	Very high	21 Å²	21	49.8 Å²	49.8	10%	0.103	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	129	165.3	-174	-77.7	-70.8	0	0	108.5	Y31 F32 Y137 D138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.37Å; F32-M122 HydrophobicContact CD1-CB 3.98Å; F32-M122 HydrophobicContact CD1-CG 3.62Å; F32-M122 HydrophobicContact CE1-CB 4.11Å; F32-M122 HydrophobicContact CE1-CG 3.33Å; F32-M122 HydrophobicContact CG-CG 4.45Å; F32-M122 HydrophobicContact CZ-CG 3.95Å; M122-Y137 HydrophobicContact CE-CD1 4.03Å; M122-Y137 HydrophobicContact CE-CG 4.1Å; M122-D138 WeakPolarHBondContact O-CA 3.23Å; M122-Q139 HydrophobicContact CB-CG 4.04Å; M122-Q139 VanDerWaalsContact CE-CD 3.48Å; M122-Q139 HydrophobicContact CE-CG 3.92Å; M122-Q139 PolarHBondContact N-O 3.36Å; M122-Q139 PolarHBondContact O-N 3.38Å
123	Y	98.7	Very high	96	Very high	21 Å²	21	48.4 Å²	48.4	8%	0.082	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	156.9	172.6	74.5	-83.4	0	0	0	110.6	Y31 Y33 R121 Y137 D138 Y183	Y31-Y123 VanDerWaalsContact CB-CE1 3.41Å; Y31-Y123 HydrophobicContact CD2-CE1 4.48Å; Y31-Y123 AromaticContact CD2-CE2 3.79Å; Y31-Y123 HydrophobicContact CD2-CE2 3.79Å; Y31-Y123 AromaticContact CD2-CZ 3.75Å; Y31-Y123 HydrophobicContact CG-CE1 4.14Å; Y31-Y123 HydrophobicContact CG-CE2 4.25Å; Y31-Y123 AromaticContact CG-CZ 3.74Å; Y31-Y123 PolarHBondContact N-O 3.47Å; Y31-Y123 PolarHBondContact O-N 3.28Å; Y31-Y123 VanDerWaalsContact O-N 3.11Å; Y33-Y123 HydrophobicContact CD2-CE1 4.06Å; Y33-Y123 HydrophobicContact CE1-CE1 4.19Å; Y33-Y123 HydrophobicContact CE2-CD1 4.38Å; Y33-Y123 AromaticContact CE2-CE1 3.42Å; Y33-Y123 HydrophobicContact CE2-CE1 3.42Å; Y33-Y123 VanDerWaalsContact CE2-CE1 3.42Å; Y33-Y123 AromaticContact CZ-CE1 3.51Å; Y33-Y123 AromaticContact CZ-CZ 3.95Å; Y33-Y123 PolarHBondContact OH-OH 3.42Å; R121-Y123 HydrophobicContact CG-CD1 4.31Å; Y123-Y137 WeakPolarHBondContact CA-O 3.36Å; Y123-Y137 VanDerWaalsContact CB-O 3.25Å; Y123-Y137 WeakPolarHBondContact CB-O 3.36Å; Y123-D138 WeakPolarHBondContact CB-OD1 3.4Å; Y123-Y183 AromaticContact CD2-CE1 3.87Å; Y123-Y183 HydrophobicContact CD2-CE1 3.87Å; Y123-Y183 AromaticContact CE2-CE1 3.71Å; Y123-Y183 HydrophobicContact CE2-CE1 3.71Å; Y123-Y183 AromaticContact CE2-CZ 3.97Å
124	G	98.6	Very high	96.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.9	-176.3	-175.8	0	0	0	0	0	113.7	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.6Å; M29-G124 WeakPolarHBondContact O-CA 3.46Å; G124-G136 CarbonylContact O-C 3.54Å; G124-G136 WeakPolarHBondContact O-CA 3.49Å; G124-Y137 PolarHBondContact N-O 3.29Å; G124-Y137 PolarHBondContact O-N 3.47Å; G124-L184 WeakPolarHBondContact O-CD2 3.47Å
125	C	98.6	Very high	96.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	146.6	-176.9	52.7	0	0	0	0	111.1	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.26Å; M29-C125 PolarHBondContact N-O 3.48Å; M29-C125 PolarHBondContact O-N 2.94Å; C125-L133 HydrophobicContact CB-CD1 3.56Å; C125-R135 CarbonylContact C-O 3.55Å; C125-R135 WeakPolarHBondContact CA-O 3.16Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.06Å; C125-C188 PolarHBondContact N-SG 2.9Å; C125-C188 VanDerWaalsContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.37Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.81Å
126	D	98.3	Very high	96.7	Very high	30 Å²	30	46.6 Å²	46.6	16%	0.16	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	138.3	171.5	-61.3	-4	0	0	0	108.6	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.54Å; H27-D126 WeakPolarHBondContact O-CA 3.21Å; S28-D126 WeakPolarHBondContact CB-OD1 3.42Å; R30-D126 IonicContact CZ-OD1 3.25Å; R30-D126 IonicContact NE-OD1 3.84Å; R30-D126 PolarHBondContact NE-OD1 3.34Å; R30-D126 IonicContact NH2-OD1 2.81Å; R30-D126 PolarHBondContact NH2-OD1 3.49Å; R30-D126 IonicContact NH2-OD2 3.53Å; R30-D126 PolarHBondContact NH2-OD2 3.3Å; D126-L134 HydrophobicContact CB-CB 4.49Å; D126-L134 PolarHBondContact O-N 3.42Å; D126-R135 HydrophobicContact CB-CB 4.48Å; D126-R135 PolarHBondContact N-O 2.86Å; D126-R135 PolarHBondContact O-N 3.33Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.39Å; D126-Y137 PolarHBondContact OD2-OH 2.87Å; D126-Y137 VanDerWaalsContact OD2-OH 3.08Å
127	V	97.3	Very high	96.8	Very high	1 Å²	1	45 Å²	45	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	145.2	178.9	-59.6	0	0	0	0	110.7	S26 H27 R132 V189 L192	S26-V127 WeakPolarHBondContact CA-O 3.37Å; H27-V127 HydrophobicContact CB-CG2 4.04Å; H27-V127 PolarHBondContact N-O 3.23Å; H27-V127 PolarHBondContact O-N 2.95Å; V127-R132 WeakPolarHBondContact CA-O 3.48Å; V127-R132 WeakPolarHBondContact CB-O 3.3Å; V127-V189 HydrophobicContact CG1-CB 4.38Å; V127-V189 HydrophobicContact CG1-CG1 3.98Å; V127-V189 HydrophobicContact CG1-CG2 3.92Å; V127-L192 HydrophobicContact CB-CD2 4.32Å; V127-L192 HydrophobicContact CG1-CD2 3.91Å; V127-L192 HydrophobicContact CG2-CD2 3.56Å; V127-L192 HydrophobicContact CG2-CG 4.2Å
128	G	94.3	Very high	96.8	Very high	4 Å²	4	44.4 Å²	44.4	4%	0.041	22%	0.217	C	C	.	.			trans	-80.8	-177.7	174.5	0	0	0	0	0	112.2	D130 G131 R132	G128-D130 PolarHBondContact O-N 2.98Å; G128-G131 VanDerWaalsContact O-CA 3.3Å; G128-G131 WeakPolarHBondContact O-CA 3.33Å; G128-G131 PolarHBondContact O-N 2.95Å; G128-R132 PolarHBondContact N-O 3.01Å
129	P	91.1	Very high	96.8	Very high	101 Å²	101	45.1 Å²	45.1	66%	0.656	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.6	177.6	-24.5	33.6	0	0	0	114.3	G25 G131	G25-P129 VanDerWaalsContact O-CA 3.23Å; G25-P129 WeakPolarHBondContact O-CA 3.32Å; P129-G131 PolarHBondContact O-N 3.3Å
130	D	90.7	Very high	96.8	Very high	95 Å²	95	47.2 Å²	47.2	51%	0.508	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	0.5	173.9	72.2	-11.5	0	0	0	113.2	G128 R132	G128-D130 PolarHBondContact O-N 2.98Å; D130-R132 PolarHBondContact O-N 3.03Å; D130-R132 WeakPolarHBondContact OD1-CB 3.33Å; D130-R132 PolarHBondContact OD1-N 2.96Å; D130-R132 WeakPolarHBondContact OD2-CD 3.44Å; D130-R132 VanDerWaalsContact OD2-CG 3.32Å; D130-R132 WeakPolarHBondContact OD2-CG 3.41Å; D130-R132 IonicContact OD2-CZ 3.66Å; D130-R132 IonicContact OD2-NE 2.71Å; D130-R132 IonicContact OD2-NH1 3.66Å
131	G	90.9	Very high	96.8	Very high	12 Å²	12	44.2 Å²	44.2	12%	0.124	22%	0.216	C	C	.	.			trans	72.5	6.5	-178.1	0	0	0	0	0	114.2	G128 P129 V189 R193	G128-G131 VanDerWaalsContact O-CA 3.3Å; G128-G131 WeakPolarHBondContact O-CA 3.33Å; G128-G131 PolarHBondContact O-N 2.95Å; P129-G131 PolarHBondContact O-N 3.3Å; G131-V189 WeakPolarHBondContact O-CG1 3.47Å; G131-R193 VanDerWaalsContact C-NH2 3.31Å; G131-R193 PolarHBondContact O-NE 3.06Å; G131-R193 PolarHBondContact O-NH2 2.86Å
132	R	94.9	Very high	96.8	Very high	173 Å²	173	43.3 Å²	43.3	65%	0.653	21%	0.213	S	C	*	.			trans	-80.5	151.2	179.1	-64.7	-174.3	-177.1	159.7	-3.8	111.1	V127 G128 D130 L134	V127-R132 WeakPolarHBondContact CA-O 3.48Å; V127-R132 WeakPolarHBondContact CB-O 3.3Å; G128-R132 PolarHBondContact N-O 3.01Å; D130-R132 PolarHBondContact O-N 3.03Å; D130-R132 WeakPolarHBondContact OD1-CB 3.33Å; D130-R132 PolarHBondContact OD1-N 2.96Å; D130-R132 WeakPolarHBondContact OD2-CD 3.44Å; D130-R132 VanDerWaalsContact OD2-CG 3.32Å; D130-R132 WeakPolarHBondContact OD2-CG 3.41Å; D130-R132 IonicContact OD2-CZ 3.66Å; D130-R132 IonicContact OD2-NE 2.71Å; D130-R132 IonicContact OD2-NH1 3.66Å; R132-L134 PolarHBondContact O-N 2.94Å
133	L	97.2	Very high	96.8	Very high	49 Å²	49	45.3 Å²	45.3	26%	0.257	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	123.6	175.6	-174.7	72.4	0	0	0	110	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.56Å; L133-R135 WeakPolarHBondContact CD1-O 3.34Å; L133-L154 HydrophobicContact CD2-CD1 4.11Å; L133-E185 HydrophobicContact CD2-CB 4.37Å; L133-E185 HydrophobicContact CD2-CG 3.63Å; L133-V189 HydrophobicContact CB-CG2 4.03Å; L133-V189 HydrophobicContact CD1-CG2 3.91Å
134	L	97.1	Very high	96.7	Very high	110 Å²	110	47 Å²	47	58%	0.576	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93	-45.3	167.5	-65	178.7	0	0	0	110.4	D126 R132	D126-L134 HydrophobicContact CB-CB 4.49Å; D126-L134 PolarHBondContact O-N 3.42Å; R132-L134 PolarHBondContact O-N 2.94Å
135	R	97.3	Very high	96.7	Very high	93 Å²	93	54.7 Å²	54.7	35%	0.351	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	142.3	-176.1	-172.6	161.8	168.9	146.9	10.8	112	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.55Å; C125-R135 WeakPolarHBondContact CA-O 3.16Å; D126-R135 HydrophobicContact CB-CB 4.48Å; D126-R135 PolarHBondContact N-O 2.86Å; D126-R135 PolarHBondContact O-N 3.33Å; L133-R135 WeakPolarHBondContact CD1-O 3.34Å; R135-Y137 HydrophobicContact CB-CE2 4Å; R135-Y137 VanDerWaalsContact CD-CZ 3.43Å; R135-Y137 WeakPolarHBondContact CD-OH 3.34Å; R135-Y137 HydrophobicContact CG-CD2 4.32Å; R135-Y137 HydrophobicContact CG-CE1 4.15Å; R135-Y137 HydrophobicContact CG-CE2 3.65Å; R135-Y137 VanDerWaalsContact NE-CZ 3.32Å; R135-Y137 PolarHBondContact NE-OH 2.95Å; R135-E152 VanDerWaalsContact CZ-CD 3.42Å; R135-E152 VanDerWaalsContact CZ-CG 3.49Å; R135-E152 IonicContact CZ-OE1 2.72Å; R135-E152 IonicContact NH1-OE1 3.42Å; R135-E152 PolarHBondContact NH1-OE1 3.06Å; R135-E152 IonicContact NH1-OE2 3.75Å; R135-E152 VanDerWaalsContact NH2-CG 3.29Å; R135-E152 IonicContact NH2-OE1 3.45Å; R135-E152 PolarHBondContact NH2-OE1 2.88Å
136	G	98.1	Very high	96.7	Very high	5 Å²	5	60.8 Å²	60.8	5%	0.052	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	151.5	170.6	0	0	0	0	0	111.2	G124	G124-G136 CarbonylContact O-C 3.54Å; G124-G136 WeakPolarHBondContact O-CA 3.49Å
137	Y	98.4	Very high	96.8	Very high	40 Å²	40	59.9 Å²	59.9	16%	0.157	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	140.1	-178.3	-57.7	-95.7	0	0	0	110.4	R30 M122 Y123 G124 D126 R135	R30-Y137 PolarHBondContact NH2-OH 3.31Å; M122-Y137 HydrophobicContact CE-CD1 4.03Å; M122-Y137 HydrophobicContact CE-CG 4.1Å; Y123-Y137 WeakPolarHBondContact CA-O 3.36Å; Y123-Y137 VanDerWaalsContact CB-O 3.25Å; Y123-Y137 WeakPolarHBondContact CB-O 3.36Å; G124-Y137 PolarHBondContact N-O 3.29Å; G124-Y137 PolarHBondContact O-N 3.47Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.39Å; D126-Y137 PolarHBondContact OD2-OH 2.87Å; D126-Y137 VanDerWaalsContact OD2-OH 3.08Å; R135-Y137 HydrophobicContact CB-CE2 4Å; R135-Y137 VanDerWaalsContact CD-CZ 3.43Å; R135-Y137 WeakPolarHBondContact CD-OH 3.34Å; R135-Y137 HydrophobicContact CG-CD2 4.32Å; R135-Y137 HydrophobicContact CG-CE1 4.15Å; R135-Y137 HydrophobicContact CG-CE2 3.65Å; R135-Y137 VanDerWaalsContact NE-CZ 3.32Å; R135-Y137 PolarHBondContact NE-OH 2.95Å
138	D	98.6	Very high	96.8	Very high	3 Å²	3	60 Å²	60	2%	0.016	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	108.6	160.5	-175.3	60.3	0	0	0	108	R121 M122 Y123 L150 L180	R121-D138 IonicContact CZ-OD1 2.69Å; R121-D138 IonicContact NE-OD1 3.41Å; R121-D138 PolarHBondContact NE-OD1 2.88Å; R121-D138 IonicContact NH2-OD1 3.38Å; R121-D138 PolarHBondContact NH2-OD1 3.34Å; R121-D138 IonicContact NH2-OD2 3.28Å; M122-D138 WeakPolarHBondContact O-CA 3.23Å; Y123-D138 WeakPolarHBondContact CB-OD1 3.4Å; D138-L150 HydrophobicContact CB-CB 4.02Å; D138-L150 HydrophobicContact CB-CD2 4.23Å; D138-L150 WeakPolarHBondContact O-CB 3.39Å; D138-L150 PolarHBondContact O-N 3.03Å; D138-L180 HydrophobicContact CB-CD1 4.28Å; D138-L180 WeakPolarHBondContact OD2-CD1 3.3Å
139	Q	98.6	Very high	97	Very high	75 Å²	75	61.4 Å²	61.4	35%	0.35	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	142.6	-176.4	63.1	-171	68.4	0	0	111.3	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.6Å; R121-Q139 VanDerWaalsContact CA-O 3.31Å; R121-Q139 WeakPolarHBondContact CA-O 3.4Å; M122-Q139 HydrophobicContact CB-CG 4.04Å; M122-Q139 VanDerWaalsContact CE-CD 3.48Å; M122-Q139 HydrophobicContact CE-CG 3.92Å; M122-Q139 PolarHBondContact N-O 3.36Å; M122-Q139 PolarHBondContact O-N 3.38Å; Q139-I148 WeakPolarHBondContact CA-O 3.37Å; Q139-A149 HydrophobicContact CB-CB 3.91Å
140	Y	98.7	Very high	97.4	Very high	50 Å²	50	57.2 Å²	57.2	20%	0.196	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	142.9	178.6	-72.5	-100.2	0	0	0	110.7	I119 Q120 R121 Y147 I148	I119-Y140 HydrophobicContact CG2-CD1 4.03Å; Q120-Y140 CarbonylContact O-C 3.59Å; Q120-Y140 VanDerWaalsContact O-CA 3.24Å; Q120-Y140 WeakPolarHBondContact O-CA 3.31Å; R121-Y140 HydrophobicContact CB-CD1 3.83Å; R121-Y140 HydrophobicContact CB-CE1 3.69Å; R121-Y140 HydrophobicContact CB-CG 4.41Å; R121-Y140 VanDerWaalsContact CD-OH 3.25Å; R121-Y140 WeakPolarHBondContact CD-OH 3.39Å; R121-Y140 HydrophobicContact CG-CD1 4Å; R121-Y140 HydrophobicContact CG-CD2 4.16Å; R121-Y140 HydrophobicContact CG-CE1 3.65Å; R121-Y140 HydrophobicContact CG-CE2 3.8Å; R121-Y140 HydrophobicContact CG-CG 4.26Å; R121-Y140 VanDerWaalsContact CZ-OH 3.24Å; R121-Y140 PolarHBondContact NE-OH 3.37Å; R121-Y140 VanDerWaalsContact NE-OH 3.11Å; R121-Y140 PolarHBondContact NH1-OH 2.82Å; Y140-Y147 WeakPolarHBondContact O-CB 3.35Å; Y140-Y147 PolarHBondContact O-N 2.76Å; Y140-I148 HydrophobicContact CD2-CG2 4.28Å; Y140-I148 PolarHBondContact N-O 2.91Å; Y140-I148 PolarHBondContact O-N 2.83Å
141	A	98.8	Very high	97.8	Very high	16 Å²	16	54.8 Å²	54.8	13%	0.132	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	148.9	169	0	0	0	0	0	110.3	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 3.46Å; Q120-A141 HydrophobicContact CB-CB 4.36Å; Q120-A141 PolarHBondContact N-O 2.9Å; Q120-A141 PolarHBondContact O-N 3.38Å; A141-K145 CarbonylContact C-O 3.54Å; A141-K145 WeakPolarHBondContact CA-O 3.19Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.36Å
142	Y	98.7	Very high	98.1	Very high	11 Å²	11	60.6 Å²	60.6	4%	0.043	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.4	175.5	-175.1	-123	0	0	0	110	L102 L105 Y109 Q111 H117 I118 I119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.25Å; L105-Y142 HydrophobicContact CB-CD1 4.35Å; L105-Y142 HydrophobicContact CB-CD2 4.23Å; L105-Y142 HydrophobicContact CB-CE1 3.97Å; L105-Y142 HydrophobicContact CB-CE2 3.86Å; L105-Y142 HydrophobicContact CB-CG 4.46Å; L105-Y142 HydrophobicContact CD1-CD1 4.41Å; L105-Y142 HydrophobicContact CD1-CD2 3.42Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.42Å; L105-Y142 HydrophobicContact CD1-CE2 3.8Å; L105-Y142 HydrophobicContact CD1-CG 3.76Å; L105-Y142 HydrophobicContact CG-CD2 4.43Å; L105-Y142 HydrophobicContact CG-CE2 4.5Å; Y109-Y142 AromaticContact CD2-CD1 3.69Å; Y109-Y142 HydrophobicContact CD2-CD1 3.69Å; Y109-Y142 AromaticContact CD2-CE1 3.46Å; Y109-Y142 HydrophobicContact CD2-CE1 3.46Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.46Å; Y109-Y142 AromaticContact CE2-CD1 3.47Å; Y109-Y142 HydrophobicContact CE2-CD1 3.47Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.47Å; Y109-Y142 AromaticContact CE2-CE1 3.78Å; Y109-Y142 HydrophobicContact CE2-CE1 3.78Å; Y109-Y142 HydrophobicContact CE2-CG 4.49Å; Y109-Y142 HydrophobicContact CG-CE1 4.34Å; Q111-Y142 PolarHBondContact OE1-OH 2.77Å; H117-Y142 HydrophobicContact CB-CE2 3.84Å; H117-Y142 WeakPolarHBondContact CB-OH 3.12Å; H117-Y142 VanDerWaalsContact CG-OH 3.23Å; H117-Y142 AromaticContact ND1-CZ 3.92Å; H117-Y142 PolarHBondContact ND1-OH 3.05Å; I118-Y142 CarbonylContact O-C 3.49Å; I118-Y142 WeakPolarHBondContact O-CA 3.44Å; I118-Y142 WeakPolarHBondContact O-CD2 3.32Å; I119-Y142 HydrophobicContact CG1-CD2 3.76Å; I119-Y142 HydrophobicContact CG1-CE2 4.2Å; Y142-G144 PolarHBondContact O-N 3.41Å; Y142-K145 PolarHBondContact N-O 2.76Å; Y142-K145 PolarHBondContact O-N 2.83Å
143	D	98.2	Very high	98.2	Very high	62 Å²	62	56.1 Å²	56.1	33%	0.332	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	39.9	-175.3	-65.9	-20.5	0	0	0	113.2	Q111 H117 I118 K145	Q111-D143 PolarHBondContact NE2-OD2 2.94Å; H117-D143 WeakPolarHBondContact CA-OD1 3.23Å; H117-D143 WeakPolarHBondContact CB-OD1 3.37Å; H117-D143 IonicContact CE1-OD2 3.66Å; H117-D143 IonicContact CG-OD1 2.6Å; H117-D143 IonicContact CG-OD2 2.68Å; H117-D143 IonicContact ND1-OD1 3.54Å; H117-D143 PolarHBondContact ND1-OD1 2.92Å; H117-D143 IonicContact ND1-OD2 2.71Å; H117-D143 PolarHBondContact ND1-OD2 2.9Å; I118-D143 PolarHBondContact N-OD1 2.83Å; I118-D143 PolarHBondContact O-N 3.4Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 2.79Å
144	G	97.3	Very high	98.2	Very high	56 Å²	56	54.2 Å²	54.2	58%	0.577	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	7.9	178	0	0	0	0	0	115.3	Y142	Y142-G144 PolarHBondContact O-N 3.41Å
145	K	98.4	Very high	98.3	Very high	163 Å²	163	56.9 Å²	56.9	71%	0.709	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	146	176.4	-62.4	-178.8	-177.8	178.9	0	110.9	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.54Å; A141-K145 WeakPolarHBondContact CA-O 3.19Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.36Å; Y142-K145 PolarHBondContact N-O 2.76Å; Y142-K145 PolarHBondContact O-N 2.83Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 2.79Å; K145-Y147 PolarHBondContact O-N 2.88Å
146	D	98.7	Very high	98.3	Very high	127 Å²	127	54.3 Å²	54.3	68%	0.679	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.2	135.8	174.1	-68.2	-22.1	0	0	0	110.7	A160	D146-A160 HydrophobicContact CB-CB 4.32Å; D146-A160 WeakPolarHBondContact O-CB 3.38Å
147	Y	98.8	Very high	98.3	Very high	11 Å²	11	54.6 Å²	54.6	4%	0.043	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	-63.6	179.3	-179.7	-109.5	0	0	0	110.3	L105 Y109 Y140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD2 4.23Å; L105-Y147 HydrophobicContact CD2-CE1 3.84Å; L105-Y147 HydrophobicContact CD2-CE2 3.47Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.47Å; L105-Y147 VanDerWaalsContact CD2-OH 3.26Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.28Å; Y109-Y147 HydrophobicContact CE2-CD2 4.37Å; Y109-Y147 HydrophobicContact CE2-CE2 4.07Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.44Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.05Å; Y140-Y147 WeakPolarHBondContact O-CB 3.35Å; Y140-Y147 PolarHBondContact O-N 2.76Å; K145-Y147 PolarHBondContact O-N 2.88Å; Y147-A160 WeakPolarHBondContact O-CB 3.34Å; Y147-A160 PolarHBondContact O-N 2.84Å; Y147-A163 HydrophobicContact CE2-CB 4.5Å; Y147-A163 PolarHBondContact OH-O 3.43Å; Y147-A164 HydrophobicContact CD2-CB 3.83Å; Y147-A164 HydrophobicContact CE1-CB 4.46Å; Y147-A164 VanDerWaalsContact CE2-CA 3.5Å; Y147-A164 HydrophobicContact CE2-CB 3.68Å; Y147-A164 HydrophobicContact CG-CB 4.29Å; Y147-A164 WeakPolarHBondContact O-CB 3.4Å; Y147-T167 HydrophobicContact CE1-CG2 4.17Å; Y147-T167 WeakPolarHBondContact OH-CB 3.25Å; Y147-T167 PolarHBondContact OH-OG1 3.45Å
148	I	98.8	Very high	98.3	Very high	5 Å²	5	56.5 Å²	56.5	3%	0.026	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	141.1	178.9	-164.1	168.5	0	0	0	110.5	Q139 Y140 W157 T158 T167 Q168 L171	Q139-I148 WeakPolarHBondContact CA-O 3.37Å; Y140-I148 HydrophobicContact CD2-CG2 4.28Å; Y140-I148 PolarHBondContact N-O 2.91Å; Y140-I148 PolarHBondContact O-N 2.83Å; I148-W157 HydrophobicContact CD1-CB 4.3Å; I148-W157 HydrophobicContact CD1-CE3 4.23Å; I148-W157 HydrophobicContact CG1-CB 4.38Å; I148-W157 HydrophobicContact CG1-CE3 4.02Å; I148-T158 WeakPolarHBondContact CA-O 2.98Å; I148-T167 HydrophobicContact CD1-CG2 4.13Å; I148-Q168 HydrophobicContact CD1-CB 3.83Å; I148-L171 HydrophobicContact CD1-CD1 3.85Å
149	A	98.8	Very high	98.3	Very high	32 Å²	32	57.4 Å²	57.4	26%	0.264	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	140	178.9	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.91Å; A149-W157 CarbonylContact O-C 3.6Å; A149-W157 WeakPolarHBondContact O-CA 3.48Å; A149-T158 PolarHBondContact N-O 2.77Å; A149-T158 PolarHBondContact O-N 3.22Å
150	L	98.8	Very high	98.3	Very high	13 Å²	13	56.6 Å²	56.6	7%	0.068	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	128.6	167.5	-176.1	67.8	0	0	0	108.6	D138 L154 W157 A177 L180 L184	D138-L150 HydrophobicContact CB-CB 4.02Å; D138-L150 HydrophobicContact CB-CD2 4.23Å; D138-L150 WeakPolarHBondContact O-CB 3.39Å; D138-L150 PolarHBondContact O-N 3.03Å; L150-L154 HydrophobicContact CD2-CD2 3.75Å; L150-L154 HydrophobicContact CG-CD2 4.31Å; L150-W157 HydrophobicContact CB-CE3 4.1Å; L150-W157 HydrophobicContact CB-CH2 4.24Å; L150-W157 HydrophobicContact CB-CZ3 3.83Å; L150-W157 HydrophobicContact CD1-CD2 4.23Å; L150-W157 HydrophobicContact CD1-CE3 4.38Å; L150-W157 HydrophobicContact CD1-CH2 4.18Å; L150-W157 HydrophobicContact CD1-CZ2 3.99Å; L150-W157 HydrophobicContact CD1-CZ3 4.36Å; L150-A177 HydrophobicContact CD1-CB 4Å; L150-L180 HydrophobicContact CD2-CB 4.25Å; L150-L184 HydrophobicContact CD2-CD1 3.89Å
151	N	98.5	Very high	98.3	Very high	44 Å²	44	56.8 Å²	56.8	24%	0.235	31%	0.314	C	S	.	.			trans	-72.8	162.4	179.9	-68.3	-27.7	0	0	0	111.3	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.97Å; N151-D153 VanDerWaalsContact O-N 3.07Å; N151-L154 PolarHBondContact O-N 2.92Å; N151-S156 WeakPolarHBondContact CB-O 3.49Å; N151-S156 WeakPolarHBondContact CB-OG 3.42Å; N151-S156 PolarHBondContact N-O 3.32Å; N151-S156 PolarHBondContact ND2-OG 3.04Å; N151-T158 PolarHBondContact ND2-OG1 2.8Å; N151-T158 WeakPolarHBondContact OD1-CB 3.5Å; N151-T158 PolarHBondContact OD1-OG1 3.28Å
152	E	97.6	Very high	98.3	Very high	135 Å²	135	61.3 Å²	61.3	63%	0.631	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.9	-179.8	-66.4	179.3	-163.8	0	0	113.6	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.42Å; R135-E152 VanDerWaalsContact CZ-CG 3.49Å; R135-E152 IonicContact CZ-OE1 2.72Å; R135-E152 IonicContact NH1-OE1 3.42Å; R135-E152 PolarHBondContact NH1-OE1 3.06Å; R135-E152 IonicContact NH1-OE2 3.75Å; R135-E152 VanDerWaalsContact NH2-CG 3.29Å; R135-E152 IonicContact NH2-OE1 3.45Å; R135-E152 PolarHBondContact NH2-OE1 2.88Å; E152-L154 PolarHBondContact O-N 2.85Å
153	D	97.3	Very high	98.2	Very high	79 Å²	79	61 Å²	61	42%	0.422	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-8.2	174.8	70.4	3.7	0	0	0	114	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.97Å; N151-D153 VanDerWaalsContact O-N 3.07Å; D153-R155 WeakPolarHBondContact O-CG 3.47Å; D153-R155 PolarHBondContact O-N 2.82Å; D153-R155 PolarHBondContact OD1-N 3.49Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.83Å; D153-S156 PolarHBondContact OD1-OG 2.86Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.47Å; D153-S156 PolarHBondContact OD2-OG 3.34Å
154	L	97.8	Very high	98.2	Very high	9 Å²	9	58 Å²	58	5%	0.047	32%	0.324	C	S	.	.	S	Bend	trans	53.5	28.2	-175.3	-53.2	-178.7	0	0	0	113.6	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.11Å; L150-L154 HydrophobicContact CD2-CD2 3.75Å; L150-L154 HydrophobicContact CG-CD2 4.31Å; N151-L154 PolarHBondContact O-N 2.92Å; E152-L154 PolarHBondContact O-N 2.85Å; L154-R181 HydrophobicContact CB-CB 4.05Å; L154-R181 HydrophobicContact CB-CG 3.84Å; L154-R181 HydrophobicContact CD1-CG 4.15Å; L154-L184 HydrophobicContact CD2-CD1 3.95Å; L154-E185 HydrophobicContact CD1-CG 4.25Å
155	R	97.4	Very high	98.3	Very high	165 Å²	165	58.9 Å²	58.9	62%	0.623	31%	0.313	S	S	*	.	S	Bend	trans	-134.5	-33.2	-174.2	-70.6	170.4	-172.8	-129.8	8.3	112.7	D153 A177	D153-R155 WeakPolarHBondContact O-CG 3.47Å; D153-R155 PolarHBondContact O-N 2.82Å; D153-R155 PolarHBondContact OD1-N 3.49Å; R155-A177 WeakPolarHBondContact O-CB 3.48Å
156	S	97.8	Very high	98.3	Very high	39 Å²	39	54 Å²	54	27%	0.273	29%	0.294	S	S	.	.			trans	-114.9	164.6	-177	64.3	0	0	0	0	111.9	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.49Å; N151-S156 WeakPolarHBondContact CB-OG 3.42Å; N151-S156 PolarHBondContact N-O 3.32Å; N151-S156 PolarHBondContact ND2-OG 3.04Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.83Å; D153-S156 PolarHBondContact OD1-OG 2.86Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.47Å; D153-S156 PolarHBondContact OD2-OG 3.34Å
157	W	98.7	Very high	98.3	Very high	12 Å²	12	49.4 Å²	49.4	5%	0.045	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145.4	-176.8	-61.7	90.6	0	0	0	110.5	I148 A149 L150 Q168 L171 A176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.3Å; I148-W157 HydrophobicContact CD1-CE3 4.23Å; I148-W157 HydrophobicContact CG1-CB 4.38Å; I148-W157 HydrophobicContact CG1-CE3 4.02Å; A149-W157 CarbonylContact O-C 3.6Å; A149-W157 WeakPolarHBondContact O-CA 3.48Å; L150-W157 HydrophobicContact CB-CE3 4.1Å; L150-W157 HydrophobicContact CB-CH2 4.24Å; L150-W157 HydrophobicContact CB-CZ3 3.83Å; L150-W157 HydrophobicContact CD1-CD2 4.23Å; L150-W157 HydrophobicContact CD1-CE3 4.38Å; L150-W157 HydrophobicContact CD1-CH2 4.18Å; L150-W157 HydrophobicContact CD1-CZ2 3.99Å; L150-W157 HydrophobicContact CD1-CZ3 4.36Å; W157-Q168 HydrophobicContact CB-CG 4.09Å; W157-Q168 PolarHBondContact O-NE2 3.03Å; W157-L171 HydrophobicContact CD2-CD1 3.95Å; W157-L171 HydrophobicContact CE3-CD1 4.01Å; W157-L171 HydrophobicContact CH2-CD1 3.84Å; W157-L171 HydrophobicContact CZ2-CB 4.25Å; W157-L171 HydrophobicContact CZ2-CD1 3.8Å; W157-L171 HydrophobicContact CZ2-CG 4.46Å; W157-L171 HydrophobicContact CZ3-CD1 3.96Å; W157-A176 HydrophobicContact CZ2-CB 4.33Å; W157-A177 HydrophobicContact CZ2-CB 4.38Å; W157-L180 HydrophobicContact CH2-CD1 3.36Å; W157-L180 HydrophobicContact CZ2-CD1 3.73Å
158	T	98.7	Very high	98.3	Very high	79 Å²	79	50.8 Å²	50.8	49%	0.485	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	116.6	167.2	-66.4	0	0	0	0	109.1	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 2.98Å; A149-T158 PolarHBondContact N-O 2.77Å; A149-T158 PolarHBondContact O-N 3.22Å; N151-T158 PolarHBondContact ND2-OG1 2.8Å; N151-T158 WeakPolarHBondContact OD1-CB 3.5Å; N151-T158 PolarHBondContact OD1-OG1 3.28Å
159	A	98.6	Very high	98.2	Very high	22 Å²	22	57.9 Å²	57.9	18%	0.182	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	132.4	174.4	0	0	0	0	0	110.4	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.72Å; A159-Q165 HydrophobicContact CB-CG 3.95Å; A159-Q168 HydrophobicContact CB-CB 4.39Å
160	A	98.5	Very high	98.2	Very high	59 Å²	59	61.8 Å²	61.8	49%	0.488	32%	0.315	S	S	.	.	S	Bend	trans	-74.5	-30.7	-177	0	0	0	0	0	113.3	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.32Å; D146-A160 WeakPolarHBondContact O-CB 3.38Å; Y147-A160 WeakPolarHBondContact O-CB 3.34Å; Y147-A160 PolarHBondContact O-N 2.84Å
161	D	98.3	Very high	98.2	Very high	54 Å²	54	63.2 Å²	63.2	29%	0.289	32%	0.322	S	S	.	.	S	Bend	trans	-151.1	-175.6	-178.7	67.4	29.9	0	0	0	113.2	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.4Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 2.9Å; Y109-D161 PolarHBondContact OH-OD2 3.39Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3Å; D161-A163 WeakPolarHBondContact OD1-CA 3.38Å; D161-A163 WeakPolarHBondContact OD1-CB 3.34Å; D161-A163 PolarHBondContact OD1-N 2.94Å; D161-A164 PolarHBondContact O-N 2.84Å; D161-A164 PolarHBondContact OD1-N 3.3Å; D161-Q165 WeakPolarHBondContact O-CG 3.44Å; D161-Q165 PolarHBondContact O-N 2.61Å
162	T	98.1	Very high	98.2	Very high	110 Å²	110	65.7 Å²	65.7	68%	0.675	33%	0.332	S	S	*	.	H	α-helix	trans	-65.8	-28.4	-179.2	51.4	0	0	0	0	114
163	A	97.9	Very high	98.2	Very high	5 Å²	5	63.4 Å²	63.4	4%	0.041	34%	0.336	C	S	.	.	H	α-helix	trans	-72.6	-43.6	175	0	0	0	0	0	110	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.2Å; Y109-A163 HydrophobicContact CD2-CB 4.42Å; Y109-A163 HydrophobicContact CE1-CB 3.64Å; Y109-A163 HydrophobicContact CE2-CB 3.88Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å; Y147-A163 HydrophobicContact CE2-CB 4.5Å; Y147-A163 PolarHBondContact OH-O 3.43Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3Å; D161-A163 WeakPolarHBondContact OD1-CA 3.38Å; D161-A163 WeakPolarHBondContact OD1-CB 3.34Å; D161-A163 PolarHBondContact OD1-N 2.94Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.82Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.33Å; A163-I166 PolarHBondContact O-N 3.03Å
164	A	98.4	Very high	98.2	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-60.2	-34	174.3	0	0	0	0	0	113.3	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.83Å; Y147-A164 HydrophobicContact CE1-CB 4.46Å; Y147-A164 VanDerWaalsContact CE2-CA 3.5Å; Y147-A164 HydrophobicContact CE2-CB 3.68Å; Y147-A164 HydrophobicContact CG-CB 4.29Å; Y147-A164 WeakPolarHBondContact O-CB 3.4Å; A159-A164 HydrophobicContact CB-CB 3.72Å; D161-A164 PolarHBondContact O-N 2.84Å; D161-A164 PolarHBondContact OD1-N 3.3Å; A164-I166 PolarHBondContact O-N 2.86Å; A164-T167 WeakPolarHBondContact O-CA 3.35Å; A164-T167 WeakPolarHBondContact O-CB 3.21Å; A164-T167 PolarHBondContact O-N 3.39Å; A164-Q168 PolarHBondContact O-N 3.15Å
165	Q	98.6	Very high	98.2	Very high	74 Å²	74	70 Å²	70	35%	0.346	37%	0.369	S	S	.	.	H	α-helix	trans	-59.8	-27.9	173.4	-72.9	174.3	12.4	0	0	113.1	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.95Å; D161-Q165 WeakPolarHBondContact O-CG 3.44Å; D161-Q165 PolarHBondContact O-N 2.61Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.82Å; Q165-R169 WeakPolarHBondContact O-CG 3.3Å; Q165-R169 PolarHBondContact O-N 2.91Å; Q165-R169 VanDerWaalsContact O-N 3.14Å
166	I	98.2	Very high	98.2	Very high	60 Å²	60	62.8 Å²	62.8	31%	0.308	34%	0.344	S	S	.	.	H	α-helix	trans	-66.3	-44.8	174.2	-56.8	171.2	0	0	0	109.6	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.22Å; Y108-I166 HydrophobicContact CD2-CB 4.5Å; Y108-I166 HydrophobicContact CD2-CD1 4.36Å; Y108-I166 HydrophobicContact CE1-CD1 4.5Å; Y108-I166 HydrophobicContact CE1-CG2 4.32Å; Y108-I166 HydrophobicContact CE2-CB 4.15Å; Y108-I166 HydrophobicContact CE2-CG2 3.95Å; Y108-I166 HydrophobicContact CG-CD1 4.18Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.33Å; A163-I166 PolarHBondContact O-N 3.03Å; A164-I166 PolarHBondContact O-N 2.86Å; I166-K170 WeakPolarHBondContact O-CG 3.38Å; I166-K170 PolarHBondContact O-N 3.47Å
167	T	98.2	Very high	98.2	Very high	31 Å²	31	61.3 Å²	61.3	19%	0.19	34%	0.335	C	S	.	.	H	α-helix	trans	-65.1	-44.1	174.9	-68.5	0	0	0	0	111.2	Y147 I148 A164 R169 K170 L171	Y147-T167 HydrophobicContact CE1-CG2 4.17Å; Y147-T167 WeakPolarHBondContact OH-CB 3.25Å; Y147-T167 PolarHBondContact OH-OG1 3.45Å; I148-T167 HydrophobicContact CD1-CG2 4.13Å; A164-T167 WeakPolarHBondContact O-CA 3.35Å; A164-T167 WeakPolarHBondContact O-CB 3.21Å; A164-T167 PolarHBondContact O-N 3.39Å; T167-R169 PolarHBondContact O-N 3.32Å; T167-K170 WeakPolarHBondContact O-CB 3.13Å; T167-K170 PolarHBondContact O-N 3.42Å; T167-L171 HydrophobicContact CG2-CD1 3.8Å; T167-L171 HydrophobicContact CG2-CG 4.05Å; T167-L171 WeakPolarHBondContact O-CG 3.32Å; T167-L171 PolarHBondContact O-N 2.88Å
168	Q	98.6	Very high	98.1	Very high	40 Å²	40	66.3 Å²	66.3	19%	0.187	36%	0.359	C	S	.	.	H	α-helix	trans	-52	-52.1	177.7	176.4	174	7	0	0	111.8	I148 W157 A159 A164 K170 L171 E172	I148-Q168 HydrophobicContact CD1-CB 3.83Å; W157-Q168 HydrophobicContact CB-CG 4.09Å; W157-Q168 PolarHBondContact O-NE2 3.03Å; A159-Q168 HydrophobicContact CB-CB 4.39Å; A164-Q168 PolarHBondContact O-N 3.15Å; Q168-K170 PolarHBondContact O-N 3.47Å; Q168-L171 PolarHBondContact O-N 3.35Å; Q168-L171 VanDerWaalsContact O-N 3.09Å; Q168-E172 HydrophobicContact CG-CG 4.34Å; Q168-E172 VanDerWaalsContact CG-OE1 3.28Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.48Å; Q168-E172 PolarHBondContact NE2-OE1 3.27Å; Q168-E172 WeakPolarHBondContact O-CG 3.27Å; Q168-E172 PolarHBondContact O-N 2.98Å
169	R	98.6	Very high	98	Very high	154 Å²	154	69.6 Å²	69.6	58%	0.581	37%	0.368	S	S	*	.	H	α-helix	trans	-58.8	-36	179.2	-68	170.2	-165.9	149.5	8.4	112.6	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.3Å; Q165-R169 PolarHBondContact O-N 2.91Å; Q165-R169 VanDerWaalsContact O-N 3.14Å; T167-R169 PolarHBondContact O-N 3.32Å; R169-A173 VanDerWaalsContact O-CB 3.26Å; R169-A173 WeakPolarHBondContact O-CB 3.42Å; R169-A173 PolarHBondContact O-N 3.48Å
170	K	97.9	Very high	97.9	Very high	113 Å²	113	69.9 Å²	69.9	49%	0.491	37%	0.367	S	S	.	.	H	α-helix	trans	-69	-43	176.3	-70	176.4	174.9	-174.8	0	111.9	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 2.88Å; I166-K170 WeakPolarHBondContact O-CG 3.38Å; I166-K170 PolarHBondContact O-N 3.47Å; T167-K170 WeakPolarHBondContact O-CB 3.13Å; T167-K170 PolarHBondContact O-N 3.42Å; Q168-K170 PolarHBondContact O-N 3.47Å; K170-A173 PolarHBondContact O-N 2.93Å; K170-A174 VanDerWaalsContact O-CB 3.28Å; K170-A174 WeakPolarHBondContact O-CB 3.36Å; K170-A174 PolarHBondContact O-N 2.9Å
171	L	97.9	Very high	97.9	Very high	43 Å²	43	70.5 Å²	70.5	23%	0.225	36%	0.357	C	S	.	.	H	α-helix	trans	-65.5	-41.3	177.9	-67	175.7	0	0	0	111.4	I148 W157 T167 Q168 A174 R175 A176	I148-L171 HydrophobicContact CD1-CD1 3.85Å; W157-L171 HydrophobicContact CD2-CD1 3.95Å; W157-L171 HydrophobicContact CE3-CD1 4.01Å; W157-L171 HydrophobicContact CH2-CD1 3.84Å; W157-L171 HydrophobicContact CZ2-CB 4.25Å; W157-L171 HydrophobicContact CZ2-CD1 3.8Å; W157-L171 HydrophobicContact CZ2-CG 4.46Å; W157-L171 HydrophobicContact CZ3-CD1 3.96Å; T167-L171 HydrophobicContact CG2-CD1 3.8Å; T167-L171 HydrophobicContact CG2-CG 4.05Å; T167-L171 WeakPolarHBondContact O-CG 3.32Å; T167-L171 PolarHBondContact O-N 2.88Å; Q168-L171 PolarHBondContact O-N 3.35Å; Q168-L171 VanDerWaalsContact O-N 3.09Å; L171-A174 CarbonylContact O-C 3.55Å; L171-A174 PolarHBondContact O-N 3.19Å; L171-R175 PolarHBondContact O-N 2.69Å; L171-A176 HydrophobicContact CB-CB 4.07Å; L171-A176 HydrophobicContact CD2-CB 3.66Å; L171-A176 HydrophobicContact CG-CB 4.45Å; L171-A176 PolarHBondContact O-N 3.41Å
172	E	98.3	Very high	97.9	Very high	96 Å²	96	71.1 Å²	71.1	45%	0.449	37%	0.369	S	S	.	.	H	α-helix	trans	-64.1	-47.7	175.3	-72.1	170.3	175.3	0	0	111.4	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.34Å; Q168-E172 VanDerWaalsContact CG-OE1 3.28Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.48Å; Q168-E172 PolarHBondContact NE2-OE1 3.27Å; Q168-E172 WeakPolarHBondContact O-CG 3.27Å; Q168-E172 PolarHBondContact O-N 2.98Å; E172-A174 VanDerWaalsContact C-N 3.25Å; E172-A174 PolarHBondContact O-N 3.41Å; E172-R175 PolarHBondContact O-N 2.91Å
173	A	98.3	Very high	97.9	Very high	87 Å²	87	67.8 Å²	67.8	72%	0.719	34%	0.344	S	S	*	.	H	α-helix	trans	-60.8	-35.4	176.7	0	0	0	0	0	112.5	R169 K170 R175	R169-A173 VanDerWaalsContact O-CB 3.26Å; R169-A173 WeakPolarHBondContact O-CB 3.42Å; R169-A173 PolarHBondContact O-N 3.48Å; K170-A173 PolarHBondContact O-N 2.93Å; A173-R175 VanDerWaalsContact C-N 3.32Å
174	A	97.6	Very high	97.9	Very high	66 Å²	66	67.6 Å²	67.6	55%	0.545	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-2.8	176.5	0	0	0	0	0	114	K170 L171 E172 A176	K170-A174 VanDerWaalsContact O-CB 3.28Å; K170-A174 WeakPolarHBondContact O-CB 3.36Å; K170-A174 PolarHBondContact O-N 2.9Å; L171-A174 CarbonylContact O-C 3.55Å; L171-A174 PolarHBondContact O-N 3.19Å; E172-A174 VanDerWaalsContact C-N 3.25Å; E172-A174 PolarHBondContact O-N 3.41Å; A174-A176 PolarHBondContact O-N 3.26Å
175	R	97.3	Very high	97.9	Very high	161 Å²	161	72 Å²	72	61%	0.608	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	37.3	-173	-56.7	-176.1	176.8	-161.8	1.8	113.4	L171 E172 A173 A177 E178	L171-R175 PolarHBondContact O-N 2.69Å; E172-R175 PolarHBondContact O-N 2.91Å; A173-R175 VanDerWaalsContact C-N 3.32Å; R175-A177 PolarHBondContact O-N 2.86Å; R175-A177 VanDerWaalsContact O-N 3.15Å; R175-E178 HydrophobicContact CB-CG 4.29Å; R175-E178 IonicContact NH1-OE1 3.69Å; R175-E178 WeakPolarHBondContact O-CB 3.49Å; R175-E178 PolarHBondContact O-N 3.47Å
176	A	97.3	Very high	97.9	Very high	13 Å²	13	69.5 Å²	69.5	11%	0.107	36%	0.357	C	S	.	.	H	α-helix	trans	-59.3	-30.8	-174.9	0	0	0	0	0	113.2	W157 L171 A174 E178 Q179 L180	W157-A176 HydrophobicContact CZ2-CB 4.33Å; L171-A176 HydrophobicContact CB-CB 4.07Å; L171-A176 HydrophobicContact CD2-CB 3.66Å; L171-A176 HydrophobicContact CG-CB 4.45Å; L171-A176 PolarHBondContact O-N 3.41Å; A174-A176 PolarHBondContact O-N 3.26Å; A176-E178 VanDerWaalsContact C-N 3.28Å; A176-E178 PolarHBondContact O-N 3.09Å; A176-Q179 PolarHBondContact O-N 3.42Å; A176-L180 PolarHBondContact O-N 2.98Å; A176-L180 VanDerWaalsContact O-N 3.09Å
177	A	98	Very high	97.9	Very high	8 Å²	8	71.1 Å²	71.1	7%	0.066	36%	0.364	C	S	.	.	H	α-helix	trans	-60.5	-35.3	176.5	0	0	0	0	0	112.6	L150 R155 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 4Å; R155-A177 WeakPolarHBondContact O-CB 3.48Å; W157-A177 HydrophobicContact CZ2-CB 4.38Å; R175-A177 PolarHBondContact O-N 2.86Å; R175-A177 VanDerWaalsContact O-N 3.15Å; A177-Q179 VanDerWaalsContact C-N 3.35Å; A177-Q179 PolarHBondContact O-N 3.1Å; A177-L180 PolarHBondContact O-N 3.41Å; A177-R181 WeakPolarHBondContact O-CB 3.5Å; A177-R181 PolarHBondContact O-N 2.98Å
178	E	97.5	Very high	97.9	Very high	118 Å²	118	69.7 Å²	69.7	55%	0.551	36%	0.355	S	S	*	.	H	α-helix	trans	-64.5	-40.3	178.7	-63.7	177.6	-177	0	0	111.5	R175 A176 A182	R175-E178 HydrophobicContact CB-CG 4.29Å; R175-E178 IonicContact NH1-OE1 3.69Å; R175-E178 WeakPolarHBondContact O-CB 3.49Å; R175-E178 PolarHBondContact O-N 3.47Å; A176-E178 VanDerWaalsContact C-N 3.28Å; A176-E178 PolarHBondContact O-N 3.09Å; E178-A182 WeakPolarHBondContact O-CB 3.29Å; E178-A182 PolarHBondContact O-N 3.34Å
179	Q	96.1	Very high	97.9	Very high	147 Å²	147	68 Å²	68	69%	0.687	35%	0.347	S	S	*	.	H	α-helix	trans	-68.9	-44.6	177.7	-64.2	-179.5	-5.6	0	0	111.8	A176 A177 A182 Y183	A176-Q179 PolarHBondContact O-N 3.42Å; A177-Q179 VanDerWaalsContact C-N 3.35Å; A177-Q179 PolarHBondContact O-N 3.1Å; Q179-A182 PolarHBondContact O-N 3.44Å; Q179-Y183 PolarHBondContact O-N 3.47Å; Q179-Y183 VanDerWaalsContact O-N 3.11Å
180	L	97.4	Very high	97.9	Very high	28 Å²	28	66.9 Å²	66.9	15%	0.147	35%	0.349	C	S	.	.	H	α-helix	trans	-64.3	-42.7	177.5	-72.5	168.6	0	0	0	111.3	D138 L150 W157 A176 A177 A182 Y183 L184	D138-L180 HydrophobicContact CB-CD1 4.28Å; D138-L180 WeakPolarHBondContact OD2-CD1 3.3Å; L150-L180 HydrophobicContact CD2-CB 4.25Å; W157-L180 HydrophobicContact CH2-CD1 3.36Å; W157-L180 HydrophobicContact CZ2-CD1 3.73Å; A176-L180 PolarHBondContact O-N 2.98Å; A176-L180 VanDerWaalsContact O-N 3.09Å; A177-L180 PolarHBondContact O-N 3.41Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 2.85Å; L180-Y183 PolarHBondContact O-N 3.49Å; L180-L184 WeakPolarHBondContact O-CB 3.48Å; L180-L184 WeakPolarHBondContact O-CG 3.44Å; L180-L184 PolarHBondContact O-N 3.43Å
181	R	98.1	Very high	97.9	Very high	73 Å²	73	63.6 Å²	63.6	28%	0.275	33%	0.333	S	S	.	.	H	α-helix	trans	-58.7	-45.2	175	-176.4	173.8	179.8	-138.2	-15.1	111.9	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.05Å; L154-R181 HydrophobicContact CB-CG 3.84Å; L154-R181 HydrophobicContact CD1-CG 4.15Å; A177-R181 WeakPolarHBondContact O-CB 3.5Å; A177-R181 PolarHBondContact O-N 2.98Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 3.32Å; R181-L184 PolarHBondContact O-N 3.19Å; R181-E185 HydrophobicContact CG-CG 4.13Å; R181-E185 IonicContact CZ-OE1 3.97Å; R181-E185 VanDerWaalsContact CZ-OE1 3.28Å; R181-E185 IonicContact CZ-OE2 3.9Å; R181-E185 IonicContact NE-OE1 2.67Å; R181-E185 PolarHBondContact NE-OE1 3.04Å; R181-E185 IonicContact NE-OE2 2.77Å; R181-E185 PolarHBondContact NE-OE2 3.36Å; R181-E185 IonicContact NH2-OE1 3.01Å; R181-E185 PolarHBondContact NH2-OE1 3.15Å; R181-E185 IonicContact NH2-OE2 3.78Å; R181-E185 PolarHBondContact NH2-OE2 3.05Å; R181-E185 WeakPolarHBondContact O-CB 3.17Å; R181-E185 PolarHBondContact O-N 3.09Å
182	A	98.3	Very high	97.9	Very high	66 Å²	66	61.5 Å²	61.5	55%	0.545	32%	0.322	S	S	.	.	H	α-helix	trans	-60.4	-40.4	177.1	0	0	0	0	0	112.4	E178 Q179 L180 G186	E178-A182 WeakPolarHBondContact O-CB 3.29Å; E178-A182 PolarHBondContact O-N 3.34Å; Q179-A182 PolarHBondContact O-N 3.44Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 2.85Å; A182-G186 PolarHBondContact O-N 3.45Å; A182-G186 VanDerWaalsContact O-N 3.1Å
183	Y	97.9	Very high	97.8	Very high	41 Å²	41	62.6 Å²	62.6	16%	0.161	32%	0.322	C	S	.	.	I	π-helix	trans	-66.1	-47.4	173.9	169.5	-98.5	0	0	0	112.2	Y123 Q179 L180 R181 G186 E187 C188	Y123-Y183 AromaticContact CD2-CE1 3.87Å; Y123-Y183 HydrophobicContact CD2-CE1 3.87Å; Y123-Y183 AromaticContact CE2-CE1 3.71Å; Y123-Y183 HydrophobicContact CE2-CE1 3.71Å; Y123-Y183 AromaticContact CE2-CZ 3.97Å; Q179-Y183 PolarHBondContact O-N 3.47Å; Q179-Y183 VanDerWaalsContact O-N 3.11Å; L180-Y183 PolarHBondContact O-N 3.49Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 3.32Å; Y183-G186 CarbonylContact O-C 3.56Å; Y183-G186 PolarHBondContact O-N 3.26Å; Y183-E187 HydrophobicContact CD2-CB 3.72Å; Y183-E187 HydrophobicContact CE2-CB 3.93Å; Y183-E187 PolarHBondContact O-N 3.37Å; Y183-E187 VanDerWaalsContact O-N 3.16Å; Y183-C188 HydrophobicContact CD1-CB 4.33Å; Y183-C188 HydrophobicContact CE1-CB 3.87Å; Y183-C188 WeakPolarHBondContact O-CB 3.04Å; Y183-C188 PolarHBondContact O-N 2.9Å
184	L	98.5	Very high	97.8	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.005	31%	0.309	C	S	.	.	I	π-helix	trans	-68.5	-40.4	-175.2	-70.7	171	0	0	0	112.6	G124 L150 L154 L180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.47Å; L150-L184 HydrophobicContact CD2-CD1 3.89Å; L154-L184 HydrophobicContact CD2-CD1 3.95Å; L180-L184 WeakPolarHBondContact O-CB 3.48Å; L180-L184 WeakPolarHBondContact O-CG 3.44Å; L180-L184 PolarHBondContact O-N 3.43Å; R181-L184 PolarHBondContact O-N 3.19Å; L184-V189 WeakPolarHBondContact O-CG2 3.37Å
185	E	97.9	Very high	97.8	Very high	91 Å²	91	61 Å²	61	43%	0.425	28%	0.284	S	S	.	.	I	π-helix	trans	-78.4	-23	176.7	-69.4	-179.6	169.4	0	0	113	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.37Å; L133-E185 HydrophobicContact CD2-CG 3.63Å; L154-E185 HydrophobicContact CD1-CG 4.25Å; R181-E185 HydrophobicContact CG-CG 4.13Å; R181-E185 IonicContact CZ-OE1 3.97Å; R181-E185 VanDerWaalsContact CZ-OE1 3.28Å; R181-E185 IonicContact CZ-OE2 3.9Å; R181-E185 IonicContact NE-OE1 2.67Å; R181-E185 PolarHBondContact NE-OE1 3.04Å; R181-E185 IonicContact NE-OE2 2.77Å; R181-E185 PolarHBondContact NE-OE2 3.36Å; R181-E185 IonicContact NH2-OE1 3.01Å; R181-E185 PolarHBondContact NH2-OE1 3.15Å; R181-E185 IonicContact NH2-OE2 3.78Å; R181-E185 PolarHBondContact NH2-OE2 3.05Å; R181-E185 WeakPolarHBondContact O-CB 3.17Å; R181-E185 PolarHBondContact O-N 3.09Å
186	G	97.9	Very high	97.7	Very high	22 Å²	22	54 Å²	54	23%	0.227	26%	0.258	C	S	.	.	I	π-helix	trans	-109.9	-96.2	-176.5	0	0	0	0	0	112.8	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.45Å; A182-G186 VanDerWaalsContact O-N 3.1Å; Y183-G186 CarbonylContact O-C 3.56Å; Y183-G186 PolarHBondContact O-N 3.26Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 2.84Å; G186-C188 VanDerWaalsContact O-N 3.16Å; G186-V189 PolarHBondContact O-N 3.23Å; G186-V189 VanDerWaalsContact O-N 3.09Å; G186-E190 PolarHBondContact O-N 3.21Å
187	E	97.8	Very high	97.6	Very high	95 Å²	95	61.4 Å²	61.4	44%	0.444	29%	0.288	S	S	.	.	I	π-helix	trans	-51.7	-42.3	-171.1	-73.7	-174.8	-130.2	0	0	113.2	Y183 V189 E190 W191	Y183-E187 HydrophobicContact CD2-CB 3.72Å; Y183-E187 HydrophobicContact CE2-CB 3.93Å; Y183-E187 PolarHBondContact O-N 3.37Å; Y183-E187 VanDerWaalsContact O-N 3.16Å; E187-V189 PolarHBondContact O-N 3.02Å; E187-E190 PolarHBondContact O-N 2.04Å; E187-W191 WeakPolarHBondContact O-CB 3.21Å; E187-W191 PolarHBondContact O-N 3.02Å
188	C	98.4	Very high	97.5	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.1	-49.2	-179.6	-171.7	0	0	0	0	111.5	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.2Å; M29-C188 WeakPolarHBondContact CE-O 3.49Å; M29-C188 WeakPolarHBondContact CE-SG 3.4Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.06Å; C125-C188 PolarHBondContact N-SG 2.9Å; C125-C188 VanDerWaalsContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.37Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.81Å; Y183-C188 HydrophobicContact CD1-CB 4.33Å; Y183-C188 HydrophobicContact CE1-CB 3.87Å; Y183-C188 WeakPolarHBondContact O-CB 3.04Å; Y183-C188 PolarHBondContact O-N 2.9Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 2.84Å; G186-C188 VanDerWaalsContact O-N 3.16Å; C188-W191 PolarHBondContact O-N 3.32Å; C188-L192 WeakPolarHBondContact O-CB 3.41Å; C188-L192 PolarHBondContact O-N 2.9Å
189	V	98.4	Very high	97.4	Very high	6 Å²	6	58 Å²	58	4%	0.036	27%	0.273	C	S	.	.	H	α-helix	trans	-65.6	-41	178.9	174.1	0	0	0	0	111.2	V127 G131 L133 L184 G186 E187 L192 R193	V127-V189 HydrophobicContact CG1-CB 4.38Å; V127-V189 HydrophobicContact CG1-CG1 3.98Å; V127-V189 HydrophobicContact CG1-CG2 3.92Å; G131-V189 WeakPolarHBondContact O-CG1 3.47Å; L133-V189 HydrophobicContact CB-CG2 4.03Å; L133-V189 HydrophobicContact CD1-CG2 3.91Å; L184-V189 WeakPolarHBondContact O-CG2 3.37Å; G186-V189 PolarHBondContact O-N 3.23Å; G186-V189 VanDerWaalsContact O-N 3.09Å; E187-V189 PolarHBondContact O-N 3.02Å; V189-L192 PolarHBondContact O-N 2.98Å; V189-R193 WeakPolarHBondContact O-CB 3.16Å; V189-R193 VanDerWaalsContact O-CG 3.3Å; V189-R193 WeakPolarHBondContact O-CG 3.36Å; V189-R193 PolarHBondContact O-N 3.49Å
190	E	98.3	Very high	97.2	Very high	130 Å²	130	57.3 Å²	57.3	61%	0.607	27%	0.268	S	S	*	.	H	α-helix	trans	-62.7	-45.7	178.2	-70.7	-178.7	173.3	0	0	112.2	G186 E187 R193 R194	G186-E190 PolarHBondContact O-N 3.21Å; E187-E190 PolarHBondContact O-N 2.04Å; E190-R193 PolarHBondContact O-N 3.24Å; E190-R194 PolarHBondContact O-N 2.99Å
191	W	98.1	Very high	96.8	Very high	43 Å²	43	64.6 Å²	64.6	16%	0.163	30%	0.301	C	S	.	.	H	α-helix	trans	-65.8	-44.5	176.5	-81.6	108.2	0	0	0	111.9	M29 Y83 E187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4Å; M29-W191 HydrophobicContact SD-CB 4.34Å; Y83-W191 AromaticContact CD2-CH2 3.62Å; Y83-W191 HydrophobicContact CD2-CH2 3.62Å; Y83-W191 HydrophobicContact CD2-CZ2 4.32Å; Y83-W191 AromaticContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CE2-CE3 4.26Å; Y83-W191 HydrophobicContact CE2-CH2 4.02Å; Y83-W191 AromaticContact CE2-CZ3 3.8Å; Y83-W191 HydrophobicContact CE2-CZ3 3.8Å; E187-W191 WeakPolarHBondContact O-CB 3.21Å; E187-W191 PolarHBondContact O-N 3.02Å; C188-W191 PolarHBondContact O-N 3.32Å; W191-R193 VanDerWaalsContact C-N 3.35Å; W191-R193 PolarHBondContact O-N 2.88Å; W191-R194 WeakPolarHBondContact O-CB 3.45Å; W191-R194 PolarHBondContact O-N 2.93Å; W191-R194 VanDerWaalsContact O-N 3.12Å; W191-Y195 HydrophobicContact CB-CE2 3.98Å; W191-Y195 AromaticContact CE3-CE1 3.63Å; W191-Y195 HydrophobicContact CE3-CE1 3.63Å; W191-Y195 HydrophobicContact CE3-CE2 4.27Å; W191-Y195 AromaticContact CE3-CZ 3.46Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.46Å; W191-Y195 VanDerWaalsContact CE3-OH 3.24Å; W191-Y195 HydrophobicContact CZ3-CE1 4.04Å; W191-Y195 VanDerWaalsContact O-CD2 3.25Å; W191-Y195 WeakPolarHBondContact O-CD2 3.3Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 3.34Å
192	L	98.3	Very high	96.4	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-57.8	-46.7	176.4	175.5	52	0	0	0	111.3	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.4Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 4.12Å; M29-L192 HydrophobicContact CB-CG 4.28Å; M29-L192 HydrophobicContact CE-CB 4.43Å; M29-L192 HydrophobicContact SD-CB 4.48Å; V52-L192 HydrophobicContact CG1-CD1 3.58Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; V127-L192 HydrophobicContact CB-CD2 4.32Å; V127-L192 HydrophobicContact CG1-CD2 3.91Å; V127-L192 HydrophobicContact CG2-CD2 3.56Å; V127-L192 HydrophobicContact CG2-CG 4.2Å; C188-L192 WeakPolarHBondContact O-CB 3.41Å; C188-L192 PolarHBondContact O-N 2.9Å; V189-L192 PolarHBondContact O-N 2.98Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 3.02Å; L192-Y195 PolarHBondContact O-N 3.41Å; L192-L196 HydrophobicContact CD1-CD1 3.85Å; L192-L196 HydrophobicContact CD1-CD2 4.41Å; L192-L196 HydrophobicContact CD1-CG 3.86Å; L192-L196 HydrophobicContact CG-CD1 3.98Å; L192-L196 HydrophobicContact CG-CG 4.44Å; L192-L196 WeakPolarHBondContact O-CB 3.25Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.04Å; L192-L196 PolarHBondContact O-N 3.05Å
193	R	96.8	Very high	96.1	Very high	119 Å²	119	60.2 Å²	60.2	45%	0.449	28%	0.276	S	S	.	.	H	α-helix	trans	-60.2	-40.7	175.5	-72.3	174.9	-175.2	172.2	0.7	112.6	G131 V189 E190 W191 K197	G131-R193 VanDerWaalsContact C-NH2 3.31Å; G131-R193 PolarHBondContact O-NE 3.06Å; G131-R193 PolarHBondContact O-NH2 2.86Å; V189-R193 WeakPolarHBondContact O-CB 3.16Å; V189-R193 VanDerWaalsContact O-CG 3.3Å; V189-R193 WeakPolarHBondContact O-CG 3.36Å; V189-R193 PolarHBondContact O-N 3.49Å; E190-R193 PolarHBondContact O-N 3.24Å; W191-R193 VanDerWaalsContact C-N 3.35Å; W191-R193 PolarHBondContact O-N 2.88Å; R193-K197 WeakPolarHBondContact O-CB 3.38Å; R193-K197 PolarHBondContact O-N 3.38Å
194	R	97.1	Very high	95.6	Very high	119 Å²	119	62.9 Å²	62.9	45%	0.449	29%	0.29	S	S	.	.	H	α-helix	trans	-62.6	-45.5	175.7	178	176.6	174.8	129.8	-2.6	111	E79 E190 W191 L192 K197 N198	E79-R194 IonicContact OE1-CZ 2.9Å; E79-R194 IonicContact OE1-NE 2.77Å; E79-R194 PolarHBondContact OE1-NE 3.45Å; E79-R194 IonicContact OE1-NH2 3.13Å; E79-R194 PolarHBondContact OE1-NH2 2.8Å; E79-R194 IonicContact OE2-CZ 3.41Å; E79-R194 IonicContact OE2-NE 3.7Å; E79-R194 IonicContact OE2-NH2 3.04Å; E79-R194 PolarHBondContact OE2-NH2 3.14Å; E190-R194 PolarHBondContact O-N 2.99Å; W191-R194 WeakPolarHBondContact O-CB 3.45Å; W191-R194 PolarHBondContact O-N 2.93Å; W191-R194 VanDerWaalsContact O-N 3.12Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 3.02Å; R194-K197 WeakPolarHBondContact O-CB 3.37Å; R194-K197 PolarHBondContact O-N 3Å; R194-N198 VanDerWaalsContact O-CB 3.3Å; R194-N198 WeakPolarHBondContact O-CB 3.26Å; R194-N198 PolarHBondContact O-N 2.93Å; R194-N198 PolarHBondContact O-OD1 3.28Å
195	Y	97.5	Very high	95.2	Very high	1 Å²	1	67.1 Å²	67.1	0%	0.004	31%	0.305	C	S	.	.	H	α-helix	trans	-65.5	-42.4	178.3	-61.2	-32.7	0	0	0	112.5	M29 V52 F57 W75 V76 Y83 W191 L192 K197 N198 G199	M29-Y195 HydrophobicContact SD-CD2 3.72Å; M29-Y195 HydrophobicContact SD-CE2 3.54Å; M29-Y195 VanDerWaalsContact SD-CE2 3.54Å; V52-Y195 HydrophobicContact CG2-CD2 3.96Å; V52-Y195 HydrophobicContact CG2-CG 4.45Å; F57-Y195 HydrophobicContact CD2-CE2 4.49Å; F57-Y195 HydrophobicContact CE2-CD2 4.3Å; F57-Y195 AromaticContact CE2-CE2 3.67Å; F57-Y195 HydrophobicContact CE2-CE2 3.67Å; F57-Y195 AromaticContact CE2-CZ 3.84Å; F57-Y195 HydrophobicContact CZ-CD2 4.35Å; F57-Y195 AromaticContact CZ-CE2 3.81Å; F57-Y195 HydrophobicContact CZ-CE2 3.81Å; W75-Y195 HydrophobicContact CE3-CD1 4.18Å; W75-Y195 HydrophobicContact CE3-CG 4.41Å; W75-Y195 HydrophobicContact CH2-CG 4.1Å; W75-Y195 AromaticContact CZ3-CD1 3.54Å; W75-Y195 HydrophobicContact CZ3-CD1 3.54Å; W75-Y195 HydrophobicContact CZ3-CD2 4.26Å; W75-Y195 HydrophobicContact CZ3-CE1 4.27Å; W75-Y195 AromaticContact CZ3-CG 3.54Å; W75-Y195 HydrophobicContact CZ3-CG 3.54Å; V76-Y195 HydrophobicContact CG2-CE1 4.39Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.37Å; Y83-Y195 PolarHBondContact OH-OH 3.23Å; W191-Y195 HydrophobicContact CB-CE2 3.98Å; W191-Y195 AromaticContact CE3-CE1 3.63Å; W191-Y195 HydrophobicContact CE3-CE1 3.63Å; W191-Y195 HydrophobicContact CE3-CE2 4.27Å; W191-Y195 AromaticContact CE3-CZ 3.46Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.46Å; W191-Y195 VanDerWaalsContact CE3-OH 3.24Å; W191-Y195 HydrophobicContact CZ3-CE1 4.04Å; W191-Y195 VanDerWaalsContact O-CD2 3.25Å; W191-Y195 WeakPolarHBondContact O-CD2 3.3Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 3.34Å; L192-Y195 PolarHBondContact O-N 3.41Å; Y195-K197 VanDerWaalsContact C-N 3.27Å; Y195-K197 PolarHBondContact O-N 3.36Å; Y195-N198 PolarHBondContact O-N 3.09Å; Y195-G199 PolarHBondContact O-N 2.89Å
196	L	95.9	Very high	94.9	Very high	13 Å²	13	64.6 Å²	64.6	7%	0.068	30%	0.3	C	S	.	.	H	α-helix	trans	-61.1	-36.2	174.4	-70.5	170.1	0	0	0	112.3	H27 V52 L192 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.69Å; H27-L196 HydrophobicContact CB-CD2 4.05Å; H27-L196 HydrophobicContact CB-CG 4.44Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.38Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; L192-L196 HydrophobicContact CD1-CD1 3.85Å; L192-L196 HydrophobicContact CD1-CD2 4.41Å; L192-L196 HydrophobicContact CD1-CG 3.86Å; L192-L196 HydrophobicContact CG-CD1 3.98Å; L192-L196 HydrophobicContact CG-CG 4.44Å; L192-L196 WeakPolarHBondContact O-CB 3.25Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.04Å; L192-L196 PolarHBondContact O-N 3.05Å; L196-K200 VanDerWaalsContact O-CA 3.31Å; L196-K200 WeakPolarHBondContact O-CA 3.18Å; L196-K200 PolarHBondContact O-N 3.14Å; L196-L203 HydrophobicContact CD2-CB 4.06Å; L196-L203 HydrophobicContact CD2-CD1 4.29Å; L196-Q204 HydrophobicContact CD2-CG 4.49Å; L196-Q204 PolarHBondContact O-NE2 2.71Å
197	K	95.5	Very high	94.7	Very high	168 Å²	168	66.7 Å²	66.7	73%	0.73	30%	0.304	S	S	*	.	H	α-helix	trans	-68.5	-45.3	174	-176.4	-179.1	178.8	-177.2	0	111.6	R193 R194 Y195	R193-K197 WeakPolarHBondContact O-CB 3.38Å; R193-K197 PolarHBondContact O-N 3.38Å; R194-K197 WeakPolarHBondContact O-CB 3.37Å; R194-K197 PolarHBondContact O-N 3Å; Y195-K197 VanDerWaalsContact C-N 3.27Å; Y195-K197 PolarHBondContact O-N 3.36Å
198	N	95.9	Very high	94.6	Very high	51 Å²	51	66.6 Å²	66.6	27%	0.273	30%	0.304	S	S	.	.	H	α-helix	trans	-68.1	-40.7	-177.7	-77.8	3.4	0	0	0	112.4	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.43Å; Q78-N198 PolarHBondContact NE2-ND2 2.94Å; E79-N198 PolarHBondContact OE1-ND2 3.37Å; R194-N198 VanDerWaalsContact O-CB 3.3Å; R194-N198 WeakPolarHBondContact O-CB 3.26Å; R194-N198 PolarHBondContact O-N 2.93Å; R194-N198 PolarHBondContact O-OD1 3.28Å; Y195-N198 PolarHBondContact O-N 3.09Å
199	G	95	Very high	94.5	Very high	3 Å²	3	67 Å²	67	3%	0.031	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	27.2	-178	0	0	0	0	0	113.4	Y195 E201 T202 L203	Y195-G199 PolarHBondContact O-N 2.89Å; G199-E201 PolarHBondContact O-N 3.11Å; G199-E201 VanDerWaalsContact O-N 3.17Å; G199-T202 PolarHBondContact O-N 2.85Å; G199-T202 PolarHBondContact O-OG1 2.98Å; G199-L203 WeakPolarHBondContact O-CB 3.48Å; G199-L203 PolarHBondContact O-N 3Å
200	K	92.5	Very high	94.5	Very high	133 Å²	133	74.1 Å²	74.1	58%	0.578	34%	0.337	S	S	*	.	H	α-helix	trans	-50.6	-43.9	-173.7	-177.1	179.2	179.6	-176.1	0	113	L196 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.31Å; L196-K200 WeakPolarHBondContact O-CA 3.18Å; L196-K200 PolarHBondContact O-N 3.14Å; K200-T202 VanDerWaalsContact C-N 3.25Å; K200-T202 PolarHBondContact O-N 2.85Å; K200-Q204 HydrophobicContact CG-CB 4.49Å; K200-Q204 WeakPolarHBondContact O-CB 3.38Å; K200-Q204 PolarHBondContact O-N 2.79Å
201	E	89.5	Confident	94.5	Very high	181 Å²	181	69.6 Å²	69.6	85%	0.846	32%	0.318	S	S	*	.	H	α-helix	trans	-66.3	-25.7	-178.1	-63.2	-178	170.8	0	0	113.5	G199 R205	G199-E201 PolarHBondContact O-N 3.11Å; G199-E201 VanDerWaalsContact O-N 3.17Å; E201-R205 WeakPolarHBondContact O-CD 3.31Å
202	T	89.5	Confident	94.4	Very high	45 Å²	45	71.4 Å²	71.4	28%	0.276	33%	0.328	S	S	.	.	H	α-helix	trans	-104.8	-34.4	-176.9	51.5	0	0	0	0	113.9	W75 G199 K200 R205	W75-T202 VanDerWaalsContact CD1-OG1 3.27Å; G199-T202 PolarHBondContact O-N 2.85Å; G199-T202 PolarHBondContact O-OG1 2.98Å; K200-T202 VanDerWaalsContact C-N 3.25Å; K200-T202 PolarHBondContact O-N 2.85Å; T202-R205 WeakPolarHBondContact O-CG 3.4Å; T202-R205 PolarHBondContact O-NE 2.63Å
203	L	91.1	Very high	94.4	Very high	3 Å²	3	72.4 Å²	72.4	2%	0.016	33%	0.334	C	S	.	.	H	α-helix	trans	-94.2	-29.8	-172.8	-63	172.5	0	0	0	112.5	V52 T55 W75 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.28Å; V52-L203 HydrophobicContact CB-CD2 4.13Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.05Å; V52-L203 HydrophobicContact CG1-CG 4.48Å; T55-L203 HydrophobicContact CG2-CD2 4.1Å; W75-L203 HydrophobicContact CD2-CD1 4.39Å; W75-L203 HydrophobicContact CH2-CD1 4.38Å; W75-L203 HydrophobicContact CZ2-CD1 3.83Å; W75-L203 HydrophobicContact CZ2-CD2 4.12Å; W75-L203 HydrophobicContact CZ2-CG 4.39Å; L196-L203 HydrophobicContact CD2-CB 4.06Å; L196-L203 HydrophobicContact CD2-CD1 4.29Å; G199-L203 WeakPolarHBondContact O-CB 3.48Å; G199-L203 PolarHBondContact O-N 3Å
204	Q	88.1	Confident	94.4	Very high	97 Å²	97	68.3 Å²	68.3	45%	0.453	32%	0.323	S	S	.	.	S	Bend	trans	-103.3	24.1	178.4	-58.4	178.1	34.3	0	0	111.7	L196 K200	L196-Q204 HydrophobicContact CD2-CG 4.49Å; L196-Q204 PolarHBondContact O-NE2 2.71Å; K200-Q204 HydrophobicContact CG-CB 4.49Å; K200-Q204 WeakPolarHBondContact O-CB 3.38Å; K200-Q204 PolarHBondContact O-N 2.79Å
205	R	89.1	Confident	94.4	Very high	89 Å²	89	65 Å²	65	34%	0.336	31%	0.312	S	S	.	.			trans	-97.8	147.3	170.7	75.1	-173.7	172.4	171.6	10.3	108.9	E201 T202 E207 Y233	E201-R205 WeakPolarHBondContact O-CD 3.31Å; T202-R205 WeakPolarHBondContact O-CG 3.4Å; T202-R205 PolarHBondContact O-NE 2.63Å; R205-E207 IonicContact CZ-OE1 3.91Å; R205-E207 IonicContact NE-OE1 3.37Å; R205-E207 PolarHBondContact NE-OE1 2.87Å; R205-E207 IonicContact NH1-OE1 3.91Å; R205-E207 PolarHBondContact NH1-OE1 3.36Å; R205-E207 VanDerWaalsContact NH1-OE1 3.14Å; R205-E207 IonicContact NH2-OE1 2.91Å; R205-E207 PolarHBondContact NH2-OE1 3.18Å; R205-Y233 HydrophobicContact CG-CD1 4.23Å; R205-Y233 WeakPolarHBondContact O-CD1 3.43Å
206	A	91.9	Very high	94.2	Very high	39 Å²	39	68.6 Å²	68.6	32%	0.322	33%	0.329	S	S	.	.			trans	-118.5	121.4	163.8	0	0	0	0	0	108.2	Y233	A206-Y233 CarbonylContact C-O 3.58Å; A206-Y233 VanDerWaalsContact CA-O 3.31Å; A206-Y233 WeakPolarHBondContact CA-O 3.49Å
207	E	94.1	Very high	94.1	Very high	65 Å²	65	72.8 Å²	72.8	30%	0.304	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-98.4	119.7	174.1	-67.3	-172	-146.5	0	0	108.5	R205 F232 Y233 H287	R205-E207 IonicContact CZ-OE1 3.91Å; R205-E207 IonicContact NE-OE1 3.37Å; R205-E207 PolarHBondContact NE-OE1 2.87Å; R205-E207 IonicContact NH1-OE1 3.91Å; R205-E207 PolarHBondContact NH1-OE1 3.36Å; R205-E207 VanDerWaalsContact NH1-OE1 3.14Å; R205-E207 IonicContact NH2-OE1 2.91Å; R205-E207 PolarHBondContact NH2-OE1 3.18Å; E207-F232 WeakPolarHBondContact O-CA 3.35Å; E207-F232 WeakPolarHBondContact O-CB 3.48Å; E207-Y233 PolarHBondContact N-O 3.02Å; E207-Y233 PolarHBondContact O-N 3.12Å; E207-H287 PolarHBondContact O-CE1 3Å; E207-H287 VanDerWaalsContact O-CE1 3.26Å
208	H	95.2	Very high	94	Very high	94 Å²	94	69.2 Å²	69.2	44%	0.435	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-69.9	145.6	-177.8	-57.3	-108.3	0	0	0	111.8	K210 G289 L290	H208-K210 PolarHBondContact O-N 2.91Å; H208-G289 PolarHBondContact CE1-O 3.01Å; H208-G289 PolarHBondContact ND1-O 3.41Å; H208-G289 PolarHBondContact NE2-O 2.81Å; H208-L290 HydrophobicContact CB-CD2 4.18Å; H208-L290 WeakPolarHBondContact ND1-CA 3.29Å; H208-L290 PolarHBondContact ND1-N 3.28Å
209	P	97.6	Very high	93.8	Very high	9 Å²	9	69.4 Å²	69.4	6%	0.058	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-67	131.5	176.2	28.4	-34.8	0	0	0	111.7	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.9Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 3.38Å; P209-A229 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.17Å; P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.14Å; P209-V285 HydrophobicContact CG-CG1 3.97Å; P209-H287 HydrophobicContact CG-CB 4.14Å; P209-L290 HydrophobicContact CG-CD1 3.82Å; P209-L290 HydrophobicContact CG-CG 4.26Å
210	K	97.8	Very high	93.5	Very high	155 Å²	155	76.4 Å²	76.4	67%	0.674	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	110.2	163.7	-65.5	170.7	-173.1	164.6	0	107.9	H208 L230	H208-K210 PolarHBondContact O-N 2.91Å; K210-L230 PolarHBondContact N-O 3.21Å; K210-L230 PolarHBondContact O-N 3.13Å
211	T	97.8	Very high	93.5	Very high	34 Å²	34	77.1 Å²	77.1	21%	0.209	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	142.8	-171.3	59	0	0	0	0	113.2	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.9Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 3.38Å; T211-W228 WeakPolarHBondContact CA-O 3.38Å; T211-W228 WeakPolarHBondContact CB-O 3.24Å; T211-A229 HydrophobicContact CG2-CB 4.3Å; T211-V285 HydrophobicContact CG2-CB 4.44Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.06Å; T211-L294 HydrophobicContact CG2-CD1 4.36Å; T211-L296 VanDerWaalsContact CB-CD1 3.4Å; T211-L296 HydrophobicContact CG2-CD1 4.14Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.27Å
212	H	97.1	Very high	93.8	Very high	81 Å²	81	73 Å²	73	38%	0.375	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	160.6	172.2	62.4	-76.1	0	0	0	110.5	W228	H212-W228 VanDerWaalsContact CE1-CB 3.44Å; H212-W228 WeakPolarHBondContact CE1-CB 3.44Å; H212-W228 AromaticContact CE1-CG 3.72Å; H212-W228 PolarHBondContact N-O 3.28Å; H212-W228 AromaticContact NE2-CD1 3.54Å; H212-W228 AromaticContact NE2-CG 3.72Å; H212-W228 PolarHBondContact O-N 2.9Å
213	V	98	Very high	94.1	Very high	21 Å²	21	70.9 Å²	70.9	13%	0.127	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.6	176.7	179.9	0	0	0	0	109.5	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.34Å; V213-L225 HydrophobicContact CG1-CD2 4.35Å; V213-R226 CarbonylContact C-O 3.52Å; V213-R226 WeakPolarHBondContact CA-O 3.49Å; V213-C227 HydrophobicContact CG2-CB 4.42Å; V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.31Å; V213-W241 HydrophobicContact CG2-CH2 4.26Å; V213-L296 HydrophobicContact CG2-CB 3.94Å; V213-W298 HydrophobicContact CB-CB 4.47Å; V213-W298 HydrophobicContact CG1-CB 3.82Å
214	T	96.7	Very high	94.4	Very high	34 Å²	34	71.8 Å²	71.8	21%	0.209	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	148	172.3	62.7	0	0	0	0	110.7	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-NE2 2.95Å; T214-L225 WeakPolarHBondContact O-CA 3.4Å; T214-R226 PolarHBondContact N-O 2.87Å; T214-R226 PolarHBondContact O-N 3.04Å; T214-W228 PolarHBondContact OG1-NE1 3.45Å
215	H	95.9	Very high	94.8	Very high	50 Å²	50	67.2 Å²	67.2	23%	0.231	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.3	179.1	170.2	-91.6	0	0	0	109.7	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.26Å; H215-L225 HydrophobicContact CB-CD2 3.98Å; H215-E278 IonicContact NE2-OE1 3.88Å; H215-W298 HydrophobicContact CB-CD2 4.11Å; H215-W298 HydrophobicContact CB-CG 4.18Å; H215-W298 HydrophobicContact CB-CZ2 3.98Å; H215-W298 VanDerWaalsContact CB-NE1 3.26Å; H215-W298 AromaticContact CG-CE2 3.78Å; H215-W298 AromaticContact CG-CZ2 3.78Å; H215-W298 AromaticContact ND1-CZ2 3.99Å
216	H	94.8	Very high	95.3	Very high	76 Å²	76	65.5 Å²	65.5	35%	0.352	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	103.6	-178.3	-56.5	-68.7	0	0	0	109.3	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-NE2 2.95Å; H216-V218 PolarHBondContact O-N 3.42Å; H216-A223 CarbonylContact O-C 3.55Å; H216-A223 WeakPolarHBondContact O-CA 3.24Å; H216-T224 PolarHBondContact N-O 2.94Å; H216-T224 PolarHBondContact O-N 3.01Å; H216-R226 PolarHBondContact CD2-NH1 3.21Å; H216-R226 PolarHBondContact NE2-NH1 2.87Å
217	P	93.8	Very high	95.6	Very high	100 Å²	100	63.7 Å²	63.7	65%	0.649	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.1	131.2	174.2	-20.2	30.3	0	0	0	110.7
218	V	91.6	Very high	95.8	Very high	94 Å²	94	62.9 Å²	62.9	57%	0.57	32%	0.32	S	S	*	.			trans	-104.3	-42.3	176.1	-179.4	0	0	0	0	110	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.42Å; V218-E222 PolarHBondContact N-O 3.16Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.21Å
219	S	92.3	Very high	95.9	Very high	54 Å²	54	58.4 Å²	58.4	38%	0.378	30%	0.3	S	S	.	.	S	Bend	trans	-146.9	-178.2	174.7	73.4	0	0	0	0	110.4	H221 E222	S219-H221 PolarHBondContact O-N 2.8Å; S219-H221 PolarHBondContact OG-N 2.86Å; S219-H221 VanDerWaalsContact OG-N 3.16Å; S219-E222 PolarHBondContact N-O 3.16Å; S219-E222 VanDerWaalsContact O-O 3.08Å; S219-E222 PolarHBondContact OG-N 2.9Å
220	D	89.4	Confident	96	Very high	151 Å²	151	60.5 Å²	60.5	81%	0.807	31%	0.31	S	S	*	.	S	Bend	trans	-63.7	-20	172.7	-66	-22.8	0	0	0	112.5	S275	D220-S275 PolarHBondContact O-OG 2.84Å
221	H	92.6	Very high	95.9	Very high	147 Å²	147	54 Å²	54	68%	0.681	29%	0.287	S	S	*	.	S	Bend	trans	-106.6	-15.3	-174.2	-55.1	-49.4	0	0	0	113.8	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.8Å; S219-H221 PolarHBondContact OG-N 2.86Å; S219-H221 VanDerWaalsContact OG-N 3.16Å; H221-P274 WeakPolarHBondContact O-CA 3.18Å; H221-S275 PolarHBondContact O-N 3.49Å; H221-S275 PolarHBondContact O-OG 3.26Å
222	E	95	Very high	95.9	Very high	95 Å²	95	52.3 Å²	52.3	44%	0.444	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	145	-171.3	-66.3	177.9	173	0	0	112.2	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 3.16Å; S219-E222 PolarHBondContact N-O 3.16Å; S219-E222 VanDerWaalsContact O-O 3.08Å; S219-E222 PolarHBondContact OG-N 2.9Å; E222-V272 HydrophobicContact CB-CG1 4.12Å; E222-V272 HydrophobicContact CG-CG1 4.35Å; E222-V273 WeakPolarHBondContact CA-O 3.35Å; E222-S275 PolarHBondContact N-OG 3.33Å
223	A	95.8	Very high	95.8	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.008	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	157.9	171.2	0	0	0	0	0	110.8	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.26Å; H216-A223 CarbonylContact O-C 3.55Å; H216-A223 WeakPolarHBondContact O-CA 3.24Å; A223-V272 WeakPolarHBondContact O-CA 3.43Å; A223-V273 HydrophobicContact CB-CG2 4.45Å; A223-V273 PolarHBondContact N-O 3.2Å; A223-V273 WeakPolarHBondContact O-CG2 3.5Å; A223-V273 PolarHBondContact O-N 3.25Å
224	T	97.3	Very high	95.7	Very high	22 Å²	22	48.5 Å²	48.5	14%	0.135	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.8	170.1	-54.9	0	0	0	0	109.4	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 2.94Å; H216-T224 PolarHBondContact O-N 3.01Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.21Å; T224-A270 HydrophobicContact CG2-CB 3.93Å; T224-V271 WeakPolarHBondContact CA-O 3.36Å
225	L	97.8	Very high	95.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	129.1	165	-63.8	-176.6	0	0	0	108.9	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.34Å; V213-L225 HydrophobicContact CG1-CD2 4.35Å; T214-L225 WeakPolarHBondContact O-CA 3.4Å; H215-L225 HydrophobicContact CB-CD2 3.98Å; L225-W241 HydrophobicContact CB-CH2 3.7Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.21Å; L225-A270 CarbonylContact O-C 3.54Å; L225-A270 WeakPolarHBondContact O-CA 3.47Å; L225-V271 HydrophobicContact CB-CG2 4.19Å; L225-V271 PolarHBondContact N-O 3.27Å; L225-V271 PolarHBondContact O-N 3.46Å; L225-V273 HydrophobicContact CD1-CG1 4.04Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.18Å; L225-V273 HydrophobicContact CG-CG2 3.84Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CG 4.4Å; L225-W298 HydrophobicContact CD1-CB 4.39Å; L225-W298 HydrophobicContact CD2-CB 3.82Å; L225-W298 HydrophobicContact CD2-CD2 4.34Å; L225-W298 HydrophobicContact CD2-CG 3.93Å
226	R	98.2	Very high	95.7	Very high	54 Å²	54	50.7 Å²	50.7	20%	0.204	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	117.7	176.4	-176.5	179	-66.6	118.2	-0	110.3	V213 T214 H216 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.52Å; V213-R226 WeakPolarHBondContact CA-O 3.49Å; T214-R226 PolarHBondContact N-O 2.87Å; T214-R226 PolarHBondContact O-N 3.04Å; H216-R226 PolarHBondContact CD2-NH1 3.21Å; H216-R226 PolarHBondContact NE2-NH1 2.87Å; R226-W228 HydrophobicContact CG-CZ2 4.39Å; R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.13Å; R226-W268 HydrophobicContact CG-CE3 3.9Å; R226-W268 HydrophobicContact CG-CG 4.22Å; R226-A269 WeakPolarHBondContact CA-O 3.32Å; R226-A270 HydrophobicContact CB-CB 4.09Å; R226-A270 HydrophobicContact CG-CB 4.16Å
227	C	98.3	Very high	95.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	121.4	174.7	-173.7	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 3.56Å; C227-W268 WeakPolarHBondContact O-CA 3.43Å; C227-W268 WeakPolarHBondContact O-CB 3.26Å; C227-A269 PolarHBondContact N-O 2.9Å; C227-A269 PolarHBondContact O-N 3.38Å; C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.25Å; C227-C283 WeakPolarHBondContact SG-CB 3.31Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.23Å
228	W	98.4	Very high	95.9	Very high	48 Å²	48	44.9 Å²	44.9	18%	0.182	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	141.4	179.5	-69.5	88.6	0	0	0	110.6	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.38Å; T211-W228 WeakPolarHBondContact CB-O 3.24Å; H212-W228 VanDerWaalsContact CE1-CB 3.44Å; H212-W228 WeakPolarHBondContact CE1-CB 3.44Å; H212-W228 AromaticContact CE1-CG 3.72Å; H212-W228 PolarHBondContact N-O 3.28Å; H212-W228 AromaticContact NE2-CD1 3.54Å; H212-W228 AromaticContact NE2-CG 3.72Å; H212-W228 PolarHBondContact O-N 2.9Å; T214-W228 PolarHBondContact OG1-NE1 3.45Å; R226-W228 HydrophobicContact CG-CZ2 4.39Å; W228-L230 HydrophobicContact CE3-CD2 3.87Å; W228-L230 HydrophobicContact CZ3-CD2 4.42Å; W228-W268 HydrophobicContact CD2-CB 3.98Å; W228-W268 HydrophobicContact CD2-CG 4.48Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.88Å; W228-W268 HydrophobicContact CE3-CG 4.19Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.67Å; W228-W268 HydrophobicContact CH2-CG 4.29Å; W228-W268 HydrophobicContact CZ3-CB 4.31Å; W228-W268 AromaticContact CZ3-CD1 3.42Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.42Å; W228-W268 HydrophobicContact CZ3-CG 4.11Å
229	A	98.4	Very high	96.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	123.7	162	0	0	0	0	0	107.7	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.87Å; T211-A229 HydrophobicContact CG2-CB 4.3Å; A229-F232 HydrophobicContact CB-CD1 4.04Å; A229-F232 HydrophobicContact CB-CE1 3.79Å; A229-F232 WeakPolarHBondContact O-CE1 3.3Å; A229-I237 HydrophobicContact CB-CD1 3.68Å; A229-L239 HydrophobicContact CB-CD1 4.01Å; A229-L239 HydrophobicContact CB-CD2 4.15Å; A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.18Å; A229-K267 PolarHBondContact N-O 2.86Å; A229-K267 PolarHBondContact O-N 2.85Å; A229-K267 VanDerWaalsContact O-O 3.08Å
230	L	98.3	Very high	96.4	Very high	54 Å²	54	40 Å²	40	28%	0.283	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.7	-175.1	-58.1	177.8	0	0	0	110.9	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 3.21Å; K210-L230 PolarHBondContact O-N 3.13Å; W228-L230 HydrophobicContact CE3-CD2 3.87Å; W228-L230 HydrophobicContact CZ3-CD2 4.42Å; L230-F232 PolarHBondContact O-N 3.38Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å
231	G	97.4	Very high	96.8	Very high	17 Å²	17	32.9 Å²	32.9	18%	0.175	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.5	34.5	168.3	0	0	0	0	0	113.8	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.49Å; G231-F265 PolarHBondContact N-O 3.5Å
232	F	97.2	Very high	97.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	154.9	179.1	58.8	-90.4	0	0	0	112.5	E207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.35Å; E207-F232 WeakPolarHBondContact O-CB 3.48Å; P209-F232 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.17Å; A229-F232 HydrophobicContact CB-CD1 4.04Å; A229-F232 HydrophobicContact CB-CE1 3.79Å; A229-F232 WeakPolarHBondContact O-CE1 3.3Å; L230-F232 PolarHBondContact O-N 3.38Å; F232-P234 WeakPolarHBondContact CD2-O 3.42Å; F232-I237 HydrophobicContact CD1-CD1 3.87Å; F232-I237 HydrophobicContact CD2-CB 4.26Å; F232-I237 HydrophobicContact CD2-CD1 3.98Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.44Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.41Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.84Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; F232-T257 HydrophobicContact CE2-CG2 4.06Å; F232-T257 HydrophobicContact CZ-CG2 3.91Å; F232-T264 CarbonylContact O-C 3.58Å; F232-T264 WeakPolarHBondContact O-CA 3.43Å; F232-F265 WeakPolarHBondContact CD1-O 3.49Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.32Å; F232-F265 WeakPolarHBondContact CE1-O 3.44Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.68Å; F232-F265 PolarHBondContact N-O 3.28Å; F232-F265 PolarHBondContact O-N 3.07Å; F232-K267 HydrophobicContact CE1-CB 4.37Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; F232-H287 AromaticContact CD2-CD2 3.87Å; F232-H287 AromaticContact CD2-NE2 3.73Å
233	Y	95.6	Very high	97.1	Very high	3 Å²	3	26.9 Å²	26.9	1%	0.012	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-150.9	135.5	173.4	178.9	-84.2	0	0	0	108.8	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.01Å; T55-Y233 PolarHBondContact OG1-OH 2.76Å; R205-Y233 HydrophobicContact CG-CD1 4.23Å; R205-Y233 WeakPolarHBondContact O-CD1 3.43Å; A206-Y233 CarbonylContact C-O 3.58Å; A206-Y233 VanDerWaalsContact CA-O 3.31Å; A206-Y233 WeakPolarHBondContact CA-O 3.49Å; E207-Y233 PolarHBondContact N-O 3.02Å; E207-Y233 PolarHBondContact O-N 3.12Å; Y233-G263 WeakPolarHBondContact CD2-O 3.25Å; Y233-F265 HydrophobicContact CD2-CD2 4.46Å; Y233-F265 HydrophobicContact CD2-CE2 4.01Å; Y233-F265 HydrophobicContact CE2-CE2 4.45Å; Y233-H287 PolarHBondContact O-CE1 3.19Å
234	P	95.2	Very high	96.9	Very high	18 Å²	18	31.9 Å²	31.9	12%	0.117	16%	0.162	C	C	.	.	S	Bend	cis	-71.5	178.2	2.8	29.9	-36.4	0	0	0	113.4	D54 F232 E236 H287	D54-P234 VanDerWaalsContact OD2-CB 3.23Å; D54-P234 WeakPolarHBondContact OD2-CB 3.31Å; F232-P234 WeakPolarHBondContact CD2-O 3.42Å; P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 3.19Å; P234-H287 PolarHBondContact O-NE2 2.85Å
235	A	96.4	Very high	96.6	Very high	14 Å²	14	33.1 Å²	33.1	12%	0.116	18%	0.18	C	C	.	.	S	Bend	trans	-70.2	-26.6	-175.2	0	0	0	0	0	113.7	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.28Å; D54-A235 WeakPolarHBondContact OD2-CB 2.94Å; D54-A235 PolarHBondContact OD2-N 2.99Å; A235-I237 PolarHBondContact O-N 3.35Å; A235-T257 HydrophobicContact CB-CG2 4.34Å; A235-T257 WeakPolarHBondContact O-CG2 3.17Å; A235-F265 HydrophobicContact CB-CD1 3.7Å; A235-F265 HydrophobicContact CB-CD2 3.67Å; A235-F265 HydrophobicContact CB-CE1 3.65Å; A235-F265 HydrophobicContact CB-CE2 3.64Å; A235-F265 HydrophobicContact CB-CG 3.72Å; A235-F265 HydrophobicContact CB-CZ 3.65Å
236	E	95.5	Very high	96.3	Very high	117 Å²	117	39.4 Å²	39.4	55%	0.547	21%	0.209	S	C	.	.			trans	-65.3	120.2	179.9	-169	65	-152.4	0	0	109.7	W23 P234 H287	W23-E236 HydrophobicContact CE3-CG 4.49Å; W23-E236 HydrophobicContact CH2-CB 4Å; W23-E236 HydrophobicContact CH2-CG 3.28Å; W23-E236 HydrophobicContact CZ2-CB 4.39Å; W23-E236 HydrophobicContact CZ2-CG 3.29Å; W23-E236 HydrophobicContact CZ3-CB 4.14Å; W23-E236 HydrophobicContact CZ3-CG 3.87Å; W23-E236 VanDerWaalsContact CZ3-O 3.29Å; W23-E236 WeakPolarHBondContact CZ3-O 3.46Å; P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 3.19Å; E236-H287 PolarHBondContact O-CD2 2.81Å
237	I	96.4	Very high	96.1	Very high	9 Å²	9	41.4 Å²	41.4	5%	0.046	22%	0.224	C	C	.	.			trans	-154.5	143	-177.6	-164.1	172.6	0	0	0	109.4	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.14Å; A229-I237 HydrophobicContact CB-CD1 3.68Å; F232-I237 HydrophobicContact CD1-CD1 3.87Å; F232-I237 HydrophobicContact CD2-CB 4.26Å; F232-I237 HydrophobicContact CD2-CD1 3.98Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.44Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.41Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.84Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; A235-I237 PolarHBondContact O-N 3.35Å; I237-L239 HydrophobicContact CB-CD1 4.47Å; I237-L239 HydrophobicContact CD1-CD1 3.63Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.08Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.57Å; I237-V285 HydrophobicContact CD1-CG1 3.99Å; I237-V285 HydrophobicContact CG1-CG1 4.33Å; I237-Q286 VanDerWaalsContact CG1-O 3.28Å; I237-Q286 WeakPolarHBondContact CG1-O 3.42Å; I237-H287 HydrophobicContact CD1-CB 4.36Å; I237-H287 HydrophobicContact CG1-CB 4.09Å
238	T	97.1	Very high	95.9	Very high	44 Å²	44	42.9 Å²	42.9	27%	0.27	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.7	174.3	-60.6	0	0	0	0	110.4	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.05Å; T238-V285 WeakPolarHBondContact O-CA 3.42Å; T238-Q286 PolarHBondContact N-O 2.95Å; T238-Q286 PolarHBondContact O-N 2.78Å
239	L	97.6	Very high	95.3	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125.2	172.7	-87.1	64.3	0	0	0	108.5	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.01Å; A229-L239 HydrophobicContact CB-CD2 4.15Å; I237-L239 HydrophobicContact CB-CD1 4.47Å; I237-L239 HydrophobicContact CD1-CD1 3.63Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.08Å; L239-L254 HydrophobicContact CB-CD1 4.13Å; L239-K267 HydrophobicContact CD1-CD 4.28Å; L239-K267 HydrophobicContact CD2-CB 4.41Å; L239-K267 HydrophobicContact CD2-CG 4.48Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; L239-H284 WeakPolarHBondContact CA-O 3.39Å; L239-V285 HydrophobicContact CD1-CG1 4.06Å; L239-V285 HydrophobicContact CG-CG2 4.35Å
240	T	97.2	Very high	94.8	Very high	39 Å²	39	54.6 Å²	54.6	24%	0.239	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	144.6	179.2	48.3	0	0	0	0	110.7	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.05Å; T240-C283 CarbonylContact O-C 3.5Å; T240-C283 WeakPolarHBondContact O-CA 3.48Å; T240-H284 PolarHBondContact N-O 3.44Å; T240-H284 PolarHBondContact O-N 3.12Å; T240-H284 WeakPolarHBondContact OG1-CB 3.28Å
241	W	97.9	Very high	94.2	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.008	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	138.6	169.5	-82.5	104.3	0	0	0	109.8	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.31Å; V213-W241 HydrophobicContact CG2-CH2 4.26Å; L225-W241 HydrophobicContact CB-CH2 3.7Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.21Å; C227-W241 HydrophobicContact CB-CH2 4.49Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; W241-Q248 HydrophobicContact CB-CB 4.28Å; W241-Q248 PolarHBondContact O-N 3.2Å; W241-A269 PolarHBondContact NE1-O 3.17Å; W241-V271 HydrophobicContact CB-CG1 3.7Å; W241-V271 HydrophobicContact CB-CG2 4.43Å; W241-V271 HydrophobicContact CD2-CG1 4.34Å; W241-V271 HydrophobicContact CD2-CG2 3.62Å; W241-V271 HydrophobicContact CE3-CG2 4.03Å; W241-V271 HydrophobicContact CG-CB 4.37Å; W241-V271 HydrophobicContact CG-CG1 3.62Å; W241-V271 HydrophobicContact CG-CG2 3.81Å; W241-V271 HydrophobicContact CZ2-CG2 4.26Å; W241-T282 WeakPolarHBondContact CA-O 3.34Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.99Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 3.99Å
242	Q	97.3	Very high	94.1	Very high	39 Å²	39	57.9 Å²	57.9	18%	0.182	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	146	173.3	-68.9	-173.5	-9.4	0	0	110.3	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.48Å; Q242-D247 VanDerWaalsContact CG-OD1 3.26Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.15Å; Q242-D247 PolarHBondContact NE2-OD1 2.87Å; Q242-Y281 CarbonylContact O-C 3.57Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.39Å; Q242-T282 PolarHBondContact N-O 2.84Å; Q242-T282 PolarHBondContact O-N 3.11Å; Q242-H284 PolarHBondContact OE1-CE1 3Å; Q242-H284 PolarHBondContact OE1-NE2 2.97Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.12Å
243	W	95.3	Very high	94	Very high	77 Å²	77	63.3 Å²	63.3	29%	0.292	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	114.8	170.2	177.5	68.5	0	0	0	108.4	G245 E246 Q248 R280 Y281	W243-G245 PolarHBondContact O-N 2.82Å; W243-E246 PolarHBondContact N-O 3.42Å; W243-E246 PolarHBondContact O-N 2.89Å; W243-Q248 HydrophobicContact CB-CG 3.95Å; W243-R280 VanDerWaalsContact CE2-NH2 3.26Å; W243-R280 VanDerWaalsContact CZ2-NH1 3.27Å; W243-R280 VanDerWaalsContact NE1-CZ 3.25Å; W243-Y281 HydrophobicContact CB-CD1 4.23Å; W243-Y281 HydrophobicContact CB-CE1 3.99Å; W243-Y281 AromaticContact CD1-CE2 3.58Å; W243-Y281 AromaticContact CD1-CZ 3.61Å; W243-Y281 HydrophobicContact CG-CE1 4.26Å
244	D	92.8	Very high	94.1	Very high	106 Å²	106	67.4 Å²	67.4	57%	0.567	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	31.2	-172.8	-68.9	-22	0	0	0	114.5	R280	D244-R280 PolarHBondContact N-O 2.98Å; D244-R280 VanDerWaalsContact N-O 3.17Å; D244-R280 IonicContact OD1-NE 3.49Å; D244-R280 IonicContact OD2-CZ 2.8Å; D244-R280 IonicContact OD2-NE 3.66Å; D244-R280 PolarHBondContact OD2-NE 2.72Å; D244-R280 IonicContact OD2-NH2 3.85Å; D244-R280 PolarHBondContact OD2-NH2 2.69Å
245	G	89.4	Confident	94.2	Very high	49 Å²	49	68.1 Å²	68.1	51%	0.505	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.6	0.1	-179.8	0	0	0	0	0	115.5	W243	W243-G245 PolarHBondContact O-N 2.82Å
246	E	93.6	Very high	94.2	Very high	131 Å²	131	75.6 Å²	75.6	61%	0.612	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	127	175.4	-62.9	-169.3	167.6	0	0	111.9	Q242 W243 Q248	Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.48Å; W243-E246 PolarHBondContact N-O 3.42Å; W243-E246 PolarHBondContact O-N 2.89Å; E246-Q248 PolarHBondContact O-NE2 3.41Å
247	D	93.4	Very high	94.3	Very high	97 Å²	97	72.2 Å²	72.2	52%	0.519	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	132.2	-178.6	-68.2	-24.4	0	0	0	112.6	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.26Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.15Å; Q242-D247 PolarHBondContact NE2-OD1 2.87Å
248	Q	93.4	Very high	94.4	Very high	31 Å²	31	76.4 Å²	76.4	15%	0.145	40%	0.395	C	S	.	.			trans	-103.4	38	-177.1	-59.2	-59.2	-62.6	0	0	112.5	W241 W243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.28Å; W241-Q248 PolarHBondContact O-N 3.2Å; W243-Q248 HydrophobicContact CB-CG 3.95Å; E246-Q248 PolarHBondContact O-NE2 3.41Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.07Å; Q248-D251 PolarHBondContact O-N 3.11Å; Q248-T252 WeakPolarHBondContact O-CB 3.36Å; Q248-T252 PolarHBondContact O-N 2.85Å; Q248-T252 VanDerWaalsContact O-N 3.08Å; Q248-T252 PolarHBondContact O-OG1 2.84Å; Q248-Y281 HydrophobicContact CG-CE1 4.41Å
249	T	86.8	Confident	94.4	Very high	105 Å²	105	78.8 Å²	78.8	64%	0.644	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-35.4	-169.1	-46.5	0	0	0	0	114
250	Q	87	Confident	94.3	Very high	189 Å²	189	80.8 Å²	80.8	88%	0.883	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-32.4	-177.8	-66.3	-174	8.4	0	0	113	Q248	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.07Å
251	D	86.4	Confident	94.1	Very high	118 Å²	118	82.6 Å²	82.6	63%	0.631	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	1.1	-178.2	-56.6	-55.7	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 3.11Å
252	T	94.2	Very high	93.9	Very high	22 Å²	22	87.9 Å²	87.9	14%	0.135	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120.4	178.2	-62.8	0	0	0	0	110.9	Q248 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 3.36Å; Q248-T252 PolarHBondContact O-N 2.85Å; Q248-T252 VanDerWaalsContact O-N 3.08Å; Q248-T252 PolarHBondContact O-OG1 2.84Å; T252-L254 HydrophobicContact CG2-CB 4.42Å; T252-L254 PolarHBondContact O-N 2.8Å; T252-A269 HydrophobicContact CG2-CB 3.89Å; T252-A270 CarbonylContact C-O 3.57Å; T252-A270 WeakPolarHBondContact CA-O 3.48Å; T252-V271 HydrophobicContact CG2-CG1 4.36Å; T252-V271 VanDerWaalsContact OG1-CG1 3.25Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.48Å
253	E	96.6	Very high	93.6	Very high	114 Å²	114	88 Å²	88	53%	0.533	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	105.8	162.7	-173.8	-173.9	-170.8	0	0	109	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.25Å; E253-W268 HydrophobicContact CG-CH2 3.92Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.38Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.37Å; E253-A269 CarbonylContact O-C 3.53Å; E253-A269 WeakPolarHBondContact O-CA 3.25Å; E253-A270 HydrophobicContact CB-CB 4.41Å; E253-A270 PolarHBondContact N-O 3.09Å; E253-A270 PolarHBondContact O-N 2.78Å
254	L	96.9	Very high	93.7	Very high	88 Å²	88	84.6 Å²	84.6	46%	0.461	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.5	177.7	-173.3	69.9	0	0	0	110.1	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.13Å; T252-L254 HydrophobicContact CG2-CB 4.42Å; T252-L254 PolarHBondContact O-N 2.8Å; L254-K267 HydrophobicContact CD1-CD 4.46Å; L254-A269 HydrophobicContact CD1-CB 3.62Å
255	V	96.8	Very high	93.9	Very high	33 Å²	33	80.9 Å²	80.9	20%	0.2	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-84	152.9	174.4	-65.1	0	0	0	0	112.3	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 VanDerWaalsContact O-CE 3.31Å; V255-K267 WeakPolarHBondContact O-CE 3.37Å; V255-K267 WeakPolarHBondContact O-CG 3.44Å; V255-K267 PolarHBondContact O-NZ 2.98Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.27Å; V255-W268 HydrophobicContact CG1-CH2 3.56Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.08Å; V255-W268 HydrophobicContact CG2-CD2 3.74Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.42Å; V255-W268 PolarHBondContact N-O 3.26Å
256	E	96.8	Very high	94.4	Very high	172 Å²	172	80.7 Å²	80.7	80%	0.804	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-57.2	147.4	167.2	-68.1	-175.3	173.2	0	0	111.1	R258	E256-R258 PolarHBondContact O-N 2.9Å
257	T	97.9	Very high	94.6	Very high	46 Å²	46	75.5 Å²	75.5	28%	0.282	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-67.5	130.5	174.7	-56.3	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.06Å; F232-T257 HydrophobicContact CZ-CG2 3.91Å; A235-T257 HydrophobicContact CB-CG2 4.34Å; A235-T257 WeakPolarHBondContact O-CG2 3.17Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.92Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; T257-K267 WeakPolarHBondContact OG1-CD 3.4Å; T257-K267 PolarHBondContact OG1-NZ 3.19Å; T257-K267 VanDerWaalsContact OG1-NZ 3.15Å
258	R	97.6	Very high	94.8	Very high	96 Å²	96	72 Å²	72	36%	0.362	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	145.3	-174.9	68.4	-168.7	-178.6	-171.3	2.8	111.4	E256 F265 Q266	E256-R258 PolarHBondContact O-N 2.9Å; R258-F265 WeakPolarHBondContact O-CA 3.42Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 2.92Å; R258-Q266 WeakPolarHBondContact O-CG 3.49Å; R258-Q266 PolarHBondContact O-N 3.1Å
259	P	97.3	Very high	95.1	Very high	94 Å²	94	70.6 Å²	70.6	61%	0.61	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	144.7	178.2	28.5	-34.6	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CE1 4.3Å
260	A	96.5	Very high	95.6	Very high	48 Å²	48	65.7 Å²	65.7	40%	0.397	37%	0.367	S	S	.	.			trans	-88.1	-17.5	172.8	0	0	0	0	0	112.9	T264	A260-T264 WeakPolarHBondContact CB-O 3.44Å; A260-T264 PolarHBondContact N-O 2.83Å
261	G	93.2	Very high	96.1	Very high	77 Å²	77	56.9 Å²	56.9	79%	0.794	33%	0.326	S	S	*	.	S	Bend	trans	96.2	-8.3	178.5	0	0	0	0	0	114.9
262	D	92.6	Very high	96.6	Very high	113 Å²	113	55.1 Å²	55.1	60%	0.604	32%	0.319	S	S	*	.	S	Bend	trans	-102.9	11.4	175.7	60.7	0.8	0	0	0	113	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.26Å; D262-T264 PolarHBondContact OD1-N 2.86Å; D262-T264 PolarHBondContact OD1-OG1 2.91Å
263	G	91.6	Very high	96.7	Very high	41 Å²	41	54.1 Å²	54.1	42%	0.423	31%	0.313	S	S	.	.	S	Bend	trans	89.6	-0.3	-173.9	0	0	0	0	0	114.3	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.25Å
264	T	96.5	Very high	96.6	Very high	7 Å²	7	51.1 Å²	51.1	4%	0.043	30%	0.303	C	S	.	.			trans	-104.9	173.4	173.4	74	0	0	0	0	112.3	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.49Å; F232-T264 CarbonylContact O-C 3.58Å; F232-T264 WeakPolarHBondContact O-CA 3.43Å; A260-T264 WeakPolarHBondContact CB-O 3.44Å; A260-T264 PolarHBondContact N-O 2.83Å; D262-T264 WeakPolarHBondContact OD1-CB 3.26Å; D262-T264 PolarHBondContact OD1-N 2.86Å; D262-T264 PolarHBondContact OD1-OG1 2.91Å
265	F	98.1	Very high	96.4	Very high	28 Å²	28	49.6 Å²	49.6	12%	0.123	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	163.1	-177.5	-64.2	-87.1	0	0	0	112.2	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.72Å; G231-F265 PolarHBondContact N-O 3.5Å; F232-F265 WeakPolarHBondContact CD1-O 3.49Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.32Å; F232-F265 WeakPolarHBondContact CE1-O 3.44Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.68Å; F232-F265 PolarHBondContact N-O 3.28Å; F232-F265 PolarHBondContact O-N 3.07Å; Y233-F265 HydrophobicContact CD2-CD2 4.46Å; Y233-F265 HydrophobicContact CD2-CE2 4.01Å; Y233-F265 HydrophobicContact CE2-CE2 4.45Å; A235-F265 HydrophobicContact CB-CD1 3.7Å; A235-F265 HydrophobicContact CB-CD2 3.67Å; A235-F265 HydrophobicContact CB-CE1 3.65Å; A235-F265 HydrophobicContact CB-CE2 3.64Å; A235-F265 HydrophobicContact CB-CG 3.72Å; A235-F265 HydrophobicContact CB-CZ 3.65Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.92Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; R258-F265 WeakPolarHBondContact O-CA 3.42Å; P259-F265 HydrophobicContact CB-CE1 4.3Å
266	Q	98.3	Very high	96.1	Very high	44 Å²	44	51.2 Å²	51.2	21%	0.206	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	146.4	174.5	44.6	168.6	-25.3	0	0	110	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.18Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 2.92Å; R258-Q266 WeakPolarHBondContact O-CG 3.49Å; R258-Q266 PolarHBondContact O-N 3.1Å
267	K	98.6	Very high	95.9	Very high	22 Å²	22	46 Å²	46	10%	0.096	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	154.8	177.3	-162.5	-176.7	-171	69.1	0	108.9	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.86Å; A229-K267 PolarHBondContact O-N 2.85Å; A229-K267 VanDerWaalsContact O-O 3.08Å; F232-K267 HydrophobicContact CE1-CB 4.37Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.57Å; L239-K267 HydrophobicContact CD1-CD 4.28Å; L239-K267 HydrophobicContact CD2-CB 4.41Å; L239-K267 HydrophobicContact CD2-CG 4.48Å; L254-K267 HydrophobicContact CD1-CD 4.46Å; V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 VanDerWaalsContact O-CE 3.31Å; V255-K267 WeakPolarHBondContact O-CE 3.37Å; V255-K267 WeakPolarHBondContact O-CG 3.44Å; V255-K267 PolarHBondContact O-NZ 2.98Å; T257-K267 WeakPolarHBondContact OG1-CD 3.4Å; T257-K267 PolarHBondContact OG1-NZ 3.19Å; T257-K267 VanDerWaalsContact OG1-NZ 3.15Å
268	W	98.3	Very high	95.8	Very high	25 Å²	25	44.8 Å²	44.8	10%	0.095	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	156.6	169.2	59	-98.6	0	0	0	111.6	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.13Å; R226-W268 HydrophobicContact CG-CE3 3.9Å; R226-W268 HydrophobicContact CG-CG 4.22Å; C227-W268 CarbonylContact O-C 3.56Å; C227-W268 WeakPolarHBondContact O-CA 3.43Å; C227-W268 WeakPolarHBondContact O-CB 3.26Å; W228-W268 HydrophobicContact CD2-CB 3.98Å; W228-W268 HydrophobicContact CD2-CG 4.48Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.88Å; W228-W268 HydrophobicContact CE3-CG 4.19Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.67Å; W228-W268 HydrophobicContact CH2-CG 4.29Å; W228-W268 HydrophobicContact CZ3-CB 4.31Å; W228-W268 AromaticContact CZ3-CD1 3.42Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.42Å; W228-W268 HydrophobicContact CZ3-CG 4.11Å; E253-W268 HydrophobicContact CB-CZ3 4.25Å; E253-W268 HydrophobicContact CG-CH2 3.92Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.38Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.37Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.27Å; V255-W268 HydrophobicContact CG1-CH2 3.56Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.08Å; V255-W268 HydrophobicContact CG2-CD2 3.74Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.42Å; V255-W268 PolarHBondContact N-O 3.26Å; W268-A270 HydrophobicContact CE3-CB 3.95Å; W268-A270 HydrophobicContact CZ3-CB 3.66Å
269	A	98.3	Very high	95.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	132.1	174.5	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.32Å; C227-A269 PolarHBondContact N-O 2.9Å; C227-A269 PolarHBondContact O-N 3.38Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; W241-A269 PolarHBondContact NE1-O 3.17Å; T252-A269 HydrophobicContact CG2-CB 3.89Å; E253-A269 CarbonylContact O-C 3.53Å; E253-A269 WeakPolarHBondContact O-CA 3.25Å; L254-A269 HydrophobicContact CD1-CB 3.62Å
270	A	97.9	Very high	95.5	Very high	3 Å²	3	43.9 Å²	43.9	3%	0.025	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145.6	-179.9	0	0	0	0	0	112.3	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.93Å; L225-A270 CarbonylContact O-C 3.54Å; L225-A270 WeakPolarHBondContact O-CA 3.47Å; R226-A270 HydrophobicContact CB-CB 4.09Å; R226-A270 HydrophobicContact CG-CB 4.16Å; T252-A270 CarbonylContact C-O 3.57Å; T252-A270 WeakPolarHBondContact CA-O 3.48Å; E253-A270 HydrophobicContact CB-CB 4.41Å; E253-A270 PolarHBondContact N-O 3.09Å; E253-A270 PolarHBondContact O-N 2.78Å; W268-A270 HydrophobicContact CE3-CB 3.95Å; W268-A270 HydrophobicContact CZ3-CB 3.66Å
271	V	97.5	Very high	95.5	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.024	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	143.9	174.8	-73.3	0	0	0	0	109.3	T224 L225 W241 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.36Å; L225-V271 HydrophobicContact CB-CG2 4.19Å; L225-V271 PolarHBondContact N-O 3.27Å; L225-V271 PolarHBondContact O-N 3.46Å; W241-V271 HydrophobicContact CB-CG1 3.7Å; W241-V271 HydrophobicContact CB-CG2 4.43Å; W241-V271 HydrophobicContact CD2-CG1 4.34Å; W241-V271 HydrophobicContact CD2-CG2 3.62Å; W241-V271 HydrophobicContact CE3-CG2 4.03Å; W241-V271 HydrophobicContact CG-CB 4.37Å; W241-V271 HydrophobicContact CG-CG1 3.62Å; W241-V271 HydrophobicContact CG-CG2 3.81Å; W241-V271 HydrophobicContact CZ2-CG2 4.26Å; T252-V271 HydrophobicContact CG2-CG1 4.36Å; T252-V271 VanDerWaalsContact OG1-CG1 3.25Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.48Å; V271-V273 HydrophobicContact CB-CG1 4.37Å; V271-V273 HydrophobicContact CG2-CG1 3.77Å; V271-Y281 HydrophobicContact CG2-CD1 4.09Å
272	V	96.9	Very high	95.7	Very high	80 Å²	80	39.4 Å²	39.4	49%	0.485	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	128.8	168.4	-178	0	0	0	0	107.6	E222 A223	E222-V272 HydrophobicContact CB-CG1 4.12Å; E222-V272 HydrophobicContact CG-CG1 4.35Å; A223-V272 WeakPolarHBondContact O-CA 3.43Å
273	V	95.9	Very high	96	Very high	1 Å²	1	34 Å²	34	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	145	-174.8	-53.1	0	0	0	0	110.2	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.35Å; A223-V273 HydrophobicContact CB-CG2 4.45Å; A223-V273 PolarHBondContact N-O 3.2Å; A223-V273 WeakPolarHBondContact O-CG2 3.5Å; A223-V273 PolarHBondContact O-N 3.25Å; L225-V273 HydrophobicContact CD1-CG1 4.04Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.18Å; L225-V273 HydrophobicContact CG-CG2 3.84Å; V271-V273 HydrophobicContact CB-CG1 4.37Å; V271-V273 HydrophobicContact CG2-CG1 3.77Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; V273-Y281 HydrophobicContact CB-CD2 3.95Å; V273-Y281 HydrophobicContact CB-CE2 3.64Å; V273-Y281 HydrophobicContact CG1-CD1 3.8Å; V273-Y281 HydrophobicContact CG1-CD2 3.54Å; V273-Y281 HydrophobicContact CG1-CE1 3.74Å; V273-Y281 HydrophobicContact CG1-CE2 3.49Å; V273-Y281 VanDerWaalsContact CG1-CE2 3.49Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å
274	P	95.6	Very high	96.3	Very high	51 Å²	51	33.6 Å²	33.6	33%	0.331	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	140.4	170.8	-20	32.2	0	0	0	111.5	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.18Å; P274-G276 PolarHBondContact O-N 3.21Å; P274-E277 HydrophobicContact CB-CB 4.33Å; P274-E277 HydrophobicContact CB-CG 4.16Å; P274-E277 PolarHBondContact O-N 3.39Å
275	S	91.6	Very high	96.4	Very high	56 Å²	56	33.3 Å²	33.3	39%	0.392	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	125.5	174.2	-64.5	0	0	0	0	110.7	D220 H221 E222 E278	D220-S275 PolarHBondContact O-OG 2.84Å; H221-S275 PolarHBondContact O-N 3.49Å; H221-S275 PolarHBondContact O-OG 3.26Å; E222-S275 PolarHBondContact N-OG 3.33Å; S275-E278 WeakPolarHBondContact CA-OE1 3.41Å
276	G	90.7	Very high	96.3	Very high	68 Å²	68	35.3 Å²	35.3	70%	0.701	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.8	-8	-178.7	0	0	0	0	0	115	P274 E278	P274-G276 PolarHBondContact O-N 3.21Å; G276-E278 WeakPolarHBondContact CA-OE2 3.45Å; G276-E278 VanDerWaalsContact N-CD 3.27Å; G276-E278 PolarHBondContact N-OE1 2.84Å; G276-E278 PolarHBondContact N-OE2 2.81Å
277	E	94.3	Very high	96.2	Very high	62 Å²	62	33.7 Å²	33.7	29%	0.29	19%	0.188	S	C	.	.			trans	-99.3	3.3	175.4	-65.4	-158.5	-156.4	0	0	113.6	P274 Q279 R280 Y281	P274-E277 HydrophobicContact CB-CB 4.33Å; P274-E277 HydrophobicContact CB-CG 4.16Å; P274-E277 PolarHBondContact O-N 3.39Å; E277-Q279 PolarHBondContact O-N 3.25Å; E277-R280 WeakPolarHBondContact O-CB 3.36Å; E277-R280 PolarHBondContact O-N 3.35Å; E277-R280 IonicContact OE1-NH1 2.89Å; E277-R280 IonicContact OE2-CZ 3.18Å; E277-R280 IonicContact OE2-NH1 2.65Å; E277-R280 PolarHBondContact OE2-NH1 2.86Å; E277-Y281 HydrophobicContact CB-CE2 4.39Å; E277-Y281 WeakPolarHBondContact O-CD2 3.26Å
278	E	94.1	Very high	95.8	Very high	21 Å²	21	36.2 Å²	36.2	10%	0.098	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-57.8	-31.6	-170.9	-56.6	83.7	176.8	0	0	112.8	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.88Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CG 4.4Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; S275-E278 WeakPolarHBondContact CA-OE1 3.41Å; G276-E278 WeakPolarHBondContact CA-OE2 3.45Å; G276-E278 VanDerWaalsContact N-CD 3.27Å; G276-E278 PolarHBondContact N-OE1 2.84Å; G276-E278 PolarHBondContact N-OE2 2.81Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 3.23Å; E278-Y281 PolarHBondContact O-N 2.81Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.42Å; E278-W298 VanDerWaalsContact CB-CE3 3.42Å; E278-W298 HydrophobicContact CB-CZ3 3.81Å; E278-W298 HydrophobicContact CG-CE3 3.77Å; E278-W298 HydrophobicContact CG-CZ3 3.78Å
279	Q	94.2	Very high	95.5	Very high	86 Å²	86	35.6 Å²	35.6	40%	0.402	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-73.9	-15.2	-179.1	-63.9	-57.8	-48.3	0	0	114.1	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 3.25Å; Q279-Y281 VanDerWaalsContact C-N 3.3Å; Q279-W298 PolarHBondContact NE2-O 3.43Å
280	R	95.6	Very high	95.2	Very high	84 Å²	84	36.7 Å²	36.7	32%	0.317	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-79.9	-18	174.1	-61.4	176.1	69	-168.7	1.6	112	W243 D244 E277 E278	W243-R280 VanDerWaalsContact CE2-NH2 3.26Å; W243-R280 VanDerWaalsContact CZ2-NH1 3.27Å; W243-R280 VanDerWaalsContact NE1-CZ 3.25Å; D244-R280 PolarHBondContact N-O 2.98Å; D244-R280 VanDerWaalsContact N-O 3.17Å; D244-R280 IonicContact OD1-NE 3.49Å; D244-R280 IonicContact OD2-CZ 2.8Å; D244-R280 IonicContact OD2-NE 3.66Å; D244-R280 PolarHBondContact OD2-NE 2.72Å; D244-R280 IonicContact OD2-NH2 3.85Å; D244-R280 PolarHBondContact OD2-NH2 2.69Å; E277-R280 WeakPolarHBondContact O-CB 3.36Å; E277-R280 PolarHBondContact O-N 3.35Å; E277-R280 IonicContact OE1-NH1 2.89Å; E277-R280 IonicContact OE2-CZ 3.18Å; E277-R280 IonicContact OE2-NH1 2.65Å; E277-R280 PolarHBondContact OE2-NH1 2.86Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 3.23Å
281	Y	96.8	Very high	94.9	Very high	20 Å²	20	42.3 Å²	42.3	8%	0.078	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	128.3	179.3	-69.8	-95	0	0	0	111	Q242 W243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.57Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.39Å; W243-Y281 HydrophobicContact CB-CD1 4.23Å; W243-Y281 HydrophobicContact CB-CE1 3.99Å; W243-Y281 AromaticContact CD1-CE2 3.58Å; W243-Y281 AromaticContact CD1-CZ 3.61Å; W243-Y281 HydrophobicContact CG-CE1 4.26Å; Q248-Y281 HydrophobicContact CG-CE1 4.41Å; V271-Y281 HydrophobicContact CG2-CD1 4.09Å; V273-Y281 HydrophobicContact CB-CD2 3.95Å; V273-Y281 HydrophobicContact CB-CE2 3.64Å; V273-Y281 HydrophobicContact CG1-CD1 3.8Å; V273-Y281 HydrophobicContact CG1-CD2 3.54Å; V273-Y281 HydrophobicContact CG1-CE1 3.74Å; V273-Y281 HydrophobicContact CG1-CE2 3.49Å; V273-Y281 VanDerWaalsContact CG1-CE2 3.49Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å; E277-Y281 HydrophobicContact CB-CE2 4.39Å; E277-Y281 WeakPolarHBondContact O-CD2 3.26Å; E278-Y281 PolarHBondContact O-N 2.81Å; Q279-Y281 VanDerWaalsContact C-N 3.3Å
282	T	97.7	Very high	94.6	Very high	11 Å²	11	49.3 Å²	49.3	7%	0.067	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	132.6	174.6	47.2	0	0	0	0	110.7	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.34Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; Q242-T282 PolarHBondContact N-O 2.84Å; Q242-T282 PolarHBondContact O-N 3.11Å; T282-H284 PolarHBondContact OG1-NE2 3.49Å; T282-H284 VanDerWaalsContact OG1-NE2 3.09Å; T282-T295 HydrophobicContact CG2-CG2 3.91Å; T282-L296 CarbonylContact C-O 3.53Å; T282-L296 WeakPolarHBondContact CA-O 3.19Å; T282-R297 HydrophobicContact CG2-CG 3.64Å; T282-R297 VanDerWaalsContact CG2-NE 3.31Å
283	C	97.9	Very high	94.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	129.3	169.8	174.8	0	0	0	0	109.6	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.25Å; C227-C283 WeakPolarHBondContact SG-CB 3.31Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.23Å; T240-C283 CarbonylContact O-C 3.5Å; T240-C283 WeakPolarHBondContact O-CA 3.48Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.99Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 3.99Å; C283-T295 CarbonylContact O-C 3.58Å; C283-T295 WeakPolarHBondContact O-CA 3.42Å; C283-L296 HydrophobicContact CB-CB 4.3Å; C283-L296 PolarHBondContact N-O 3.22Å; C283-L296 PolarHBondContact O-N 3.21Å
284	H	97.6	Very high	94.6	Very high	33 Å²	33	52 Å²	52	15%	0.153	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129	176.8	-66.2	-109.1	0	0	0	109.9	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.39Å; T240-H284 PolarHBondContact N-O 3.44Å; T240-H284 PolarHBondContact O-N 3.12Å; T240-H284 WeakPolarHBondContact OG1-CB 3.28Å; Q242-H284 PolarHBondContact OE1-CE1 3Å; Q242-H284 PolarHBondContact OE1-NE2 2.97Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.12Å; T282-H284 PolarHBondContact OG1-NE2 3.49Å; T282-H284 VanDerWaalsContact OG1-NE2 3.09Å; H284-L294 CarbonylContact C-O 3.57Å; H284-L294 VanDerWaalsContact CA-O 3.3Å; H284-L294 WeakPolarHBondContact CA-O 3.34Å; H284-T295 PolarHBondContact CE1-OG1 2.89Å; H284-T295 VanDerWaalsContact CE1-OG1 3.32Å; H284-T295 PolarHBondContact ND1-OG1 2.78Å
285	V	97.8	Very high	94.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	121.9	-177.7	-173	0	0	0	0	109.4	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.97Å; T211-V285 HydrophobicContact CG2-CB 4.44Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.06Å; I237-V285 HydrophobicContact CD1-CG1 3.99Å; I237-V285 HydrophobicContact CG1-CG1 4.33Å; T238-V285 WeakPolarHBondContact O-CA 3.42Å; L239-V285 HydrophobicContact CD1-CG1 4.06Å; L239-V285 HydrophobicContact CG-CG2 4.35Å; V285-L290 HydrophobicContact CG1-CD1 4.26Å; V285-P293 WeakPolarHBondContact O-CA 3.5Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.18Å; V285-L294 PolarHBondContact O-N 2.91Å; V285-L296 HydrophobicContact CG2-CD1 3.98Å
286	Q	96.8	Very high	94.9	Very high	71 Å²	71	52.5 Å²	52.5	33%	0.332	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131.8	174.1	-57.4	179.1	14.7	0	0	109.4	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.28Å; I237-Q286 WeakPolarHBondContact CG1-O 3.42Å; T238-Q286 PolarHBondContact N-O 2.95Å; T238-Q286 PolarHBondContact O-N 2.78Å; Q286-P293 HydrophobicContact CG-CB 3.97Å; Q286-P293 HydrophobicContact CG-CG 4.07Å
287	H	95.4	Very high	95.1	Very high	10 Å²	10	56.1 Å²	56.1	5%	0.046	28%	0.282	C	S	.	.			trans	-156.4	145.5	-177.8	-174.1	-99.2	0	0	0	109.1	E207 P209 F232 Y233 P234 E236 I237 G289 L290	E207-H287 PolarHBondContact O-CE1 3Å; E207-H287 VanDerWaalsContact O-CE1 3.26Å; P209-H287 HydrophobicContact CG-CB 4.14Å; F232-H287 AromaticContact CD2-CD2 3.87Å; F232-H287 AromaticContact CD2-NE2 3.73Å; Y233-H287 PolarHBondContact O-CE1 3.19Å; P234-H287 PolarHBondContact O-NE2 2.85Å; E236-H287 PolarHBondContact O-CD2 2.81Å; I237-H287 HydrophobicContact CD1-CB 4.36Å; I237-H287 HydrophobicContact CG1-CB 4.09Å; H287-G289 PolarHBondContact ND1-N 3.1Å; H287-G289 PolarHBondContact O-N 3.28Å; H287-L290 HydrophobicContact CB-CD1 3.98Å; H287-L290 HydrophobicContact CB-CG 4.23Å; H287-L290 WeakPolarHBondContact O-CB 3.34Å; H287-L290 PolarHBondContact O-N 2.98Å
288	E	91.4	Very high	95.2	Very high	74 Å²	74	55.2 Å²	55.2	35%	0.346	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-34.3	-179.9	-167.2	-179.9	152.3	0	0	113	W23 L290	W23-E288 HydrophobicContact CB-CG 4.39Å; W23-E288 HydrophobicContact CE3-CB 3.98Å; W23-E288 VanDerWaalsContact O-CD 3.31Å; E288-L290 VanDerWaalsContact C-N 3.26Å; E288-L290 PolarHBondContact O-N 2.98Å
289	G	90.7	Very high	94.9	Very high	12 Å²	12	62.1 Å²	62.1	12%	0.124	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-43.4	176.4	0	0	0	0	0	110.4	H208 H287	H208-G289 PolarHBondContact CE1-O 3.01Å; H208-G289 PolarHBondContact ND1-O 3.41Å; H208-G289 PolarHBondContact NE2-O 2.81Å; H287-G289 PolarHBondContact ND1-N 3.1Å; H287-G289 PolarHBondContact O-N 3.28Å
290	L	93.4	Very high	94.3	Very high	24 Å²	24	61.7 Å²	61.7	13%	0.126	31%	0.313	C	S	.	.			trans	-71.9	127.2	-172	-65.2	167.2	0	0	0	112.3	H208 P209 V285 H287 E288 E292 L294	H208-L290 HydrophobicContact CB-CD2 4.18Å; H208-L290 WeakPolarHBondContact ND1-CA 3.29Å; H208-L290 PolarHBondContact ND1-N 3.28Å; P209-L290 HydrophobicContact CG-CD1 3.82Å; P209-L290 HydrophobicContact CG-CG 4.26Å; V285-L290 HydrophobicContact CG1-CD1 4.26Å; H287-L290 HydrophobicContact CB-CD1 3.98Å; H287-L290 HydrophobicContact CB-CG 4.23Å; H287-L290 WeakPolarHBondContact O-CB 3.34Å; H287-L290 PolarHBondContact O-N 2.98Å; E288-L290 VanDerWaalsContact C-N 3.26Å; E288-L290 PolarHBondContact O-N 2.98Å; L290-E292 WeakPolarHBondContact CB-O 3.46Å; L290-E292 PolarHBondContact O-N 2.9Å; L290-L294 HydrophobicContact CD1-CD1 3.92Å; L290-L294 HydrophobicContact CD1-CG 3.84Å; L290-L294 HydrophobicContact CD2-CD1 3.63Å; L290-L294 HydrophobicContact CD2-CD2 4.34Å; L290-L294 HydrophobicContact CD2-CG 3.83Å; L290-L294 HydrophobicContact CG-CD1 4.46Å; L290-L294 HydrophobicContact CG-CG 4.46Å
291	P	91.1	Very high	92.8	Very high	121 Å²	121	62.4 Å²	62.4	79%	0.786	33%	0.33	S	S	*	.	S	Bend	trans	-66.6	-30.7	176.5	28.5	-35.5	0	0	0	111.9
292	E	92.1	Very high	90.5	Very high	150 Å²	150	66.8 Å²	66.8	70%	0.701	36%	0.364	S	S	*	.	S	Bend	trans	-138.6	148	174.7	-66.4	-176.9	178.6	0	0	109.2	L290 L294	L290-E292 WeakPolarHBondContact CB-O 3.46Å; L290-E292 PolarHBondContact O-N 2.9Å; E292-L294 PolarHBondContact O-N 3.06Å
293	P	94.8	Very high	88	Confident	79 Å²	79	73.8 Å²	73.8	51%	0.513	40%	0.396	S	S	.	.			trans	-54.3	138.9	174	-26.6	35.7	0	0	0	112.2	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.5Å; Q286-P293 HydrophobicContact CG-CB 3.97Å; Q286-P293 HydrophobicContact CG-CG 4.07Å
294	L	96.3	Very high	85.4	Confident	60 Å²	60	78.5 Å²	78.5	31%	0.314	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	140.8	174.4	-63	177.2	0	0	0	110.5	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.36Å; H284-L294 CarbonylContact C-O 3.57Å; H284-L294 VanDerWaalsContact CA-O 3.3Å; H284-L294 WeakPolarHBondContact CA-O 3.34Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.18Å; V285-L294 PolarHBondContact O-N 2.91Å; L290-L294 HydrophobicContact CD1-CD1 3.92Å; L290-L294 HydrophobicContact CD1-CG 3.84Å; L290-L294 HydrophobicContact CD2-CD1 3.63Å; L290-L294 HydrophobicContact CD2-CD2 4.34Å; L290-L294 HydrophobicContact CD2-CG 3.83Å; L290-L294 HydrophobicContact CG-CD1 4.46Å; L290-L294 HydrophobicContact CG-CG 4.46Å; E292-L294 PolarHBondContact O-N 3.06Å
295	T	97.3	Very high	83.2	Confident	81 Å²	81	83.2 Å²	83.2	50%	0.497	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	120.7	169.8	-59.1	0	0	0	0	109.1	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.91Å; C283-T295 CarbonylContact O-C 3.58Å; C283-T295 WeakPolarHBondContact O-CA 3.42Å; H284-T295 PolarHBondContact CE1-OG1 2.89Å; H284-T295 VanDerWaalsContact CE1-OG1 3.32Å; H284-T295 PolarHBondContact ND1-OG1 2.78Å
296	L	96.6	Very high	81.1	Confident	36 Å²	36	88 Å²	88	19%	0.188	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	142.4	-174.6	-60	156.5	0	0	0	109.8	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.4Å; T211-L296 HydrophobicContact CG2-CD1 4.14Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.27Å; V213-L296 HydrophobicContact CG2-CB 3.94Å; T282-L296 CarbonylContact C-O 3.53Å; T282-L296 WeakPolarHBondContact CA-O 3.19Å; C283-L296 HydrophobicContact CB-CB 4.3Å; C283-L296 PolarHBondContact N-O 3.22Å; C283-L296 PolarHBondContact O-N 3.21Å; V285-L296 HydrophobicContact CG2-CD1 3.98Å
297	R	95.6	Very high	79.1	Confident	143 Å²	143	88.8 Å²	88.8	54%	0.54	49%	0.494	S	S	.	.			trans	-117.3	160.6	167.1	-70.5	-175.9	177.5	175.4	-2.6	109.1	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.64Å; T282-R297 VanDerWaalsContact CG2-NE 3.31Å; R297-E299 PolarHBondContact O-N 2.81Å
298	W	95.3	Very high	77.4	Confident	44 Å²	44	94.1 Å²	94.1	17%	0.167	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-68.9	121.8	167.5	171	56.5	0	0	0	109.9	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.47Å; V213-W298 HydrophobicContact CG1-CB 3.82Å; H215-W298 HydrophobicContact CB-CD2 4.11Å; H215-W298 HydrophobicContact CB-CG 4.18Å; H215-W298 HydrophobicContact CB-CZ2 3.98Å; H215-W298 VanDerWaalsContact CB-NE1 3.26Å; H215-W298 AromaticContact CG-CE2 3.78Å; H215-W298 AromaticContact CG-CZ2 3.78Å; H215-W298 AromaticContact ND1-CZ2 3.99Å; L225-W298 HydrophobicContact CD1-CB 4.39Å; L225-W298 HydrophobicContact CD2-CB 3.82Å; L225-W298 HydrophobicContact CD2-CD2 4.34Å; L225-W298 HydrophobicContact CD2-CG 3.93Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.42Å; E278-W298 VanDerWaalsContact CB-CE3 3.42Å; E278-W298 HydrophobicContact CB-CZ3 3.81Å; E278-W298 HydrophobicContact CG-CE3 3.77Å; E278-W298 HydrophobicContact CG-CZ3 3.78Å; Q279-W298 PolarHBondContact NE2-O 3.43Å; W298-P300 HydrophobicContact CE3-CG 4.39Å; W298-P300 HydrophobicContact CH2-CB 4.29Å; W298-P300 HydrophobicContact CH2-CG 3.94Å; W298-P300 HydrophobicContact CZ2-CB 4.08Å; W298-P300 HydrophobicContact CZ2-CG 4.07Å; W298-P300 HydrophobicContact CZ3-CG 4.1Å
299	E	89	Confident	75.9	Confident	166 Å²	166	96.3 Å²	96.3	78%	0.776	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-99.6	119.4	169.8	-72	-177.8	176.3	0	0	109.1	R297 S301	R297-E299 PolarHBondContact O-N 2.81Å; E299-S301 PolarHBondContact O-N 2.85Å
300	P	81.3	Confident	74.6	Confident	77 Å²	77	97.8 Å²	97.8	50%	0.5	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-58	125.4	171.2	-20.7	31.3	0	0	0	108.9	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.39Å; W298-P300 HydrophobicContact CH2-CB 4.29Å; W298-P300 HydrophobicContact CH2-CG 3.94Å; W298-P300 HydrophobicContact CZ2-CB 4.08Å; W298-P300 HydrophobicContact CZ2-CG 4.07Å; W298-P300 HydrophobicContact CZ3-CG 4.1Å; P300-S302 PolarHBondContact O-N 3.45Å
301	S	64.2	Low	73.6	Confident	98 Å²	98	101.2 Å²	101.2	69%	0.685	57%	0.572	S	S	*	*			trans	-49.6	104.9	177	143.9	0	0	0	0	110.1	E299 Q303	E299-S301 PolarHBondContact O-N 2.85Å; S301-Q303 PolarHBondContact O-N 2.74Å; S301-Q303 PolarHBondContact OG-N 2.69Å
302	S	48.7	Very low	72.7	Confident	113 Å²	113	99.7 Å²	99.7	79%	0.79	56%	0.56	S	S	*	*			trans	-78.6	65.1	165.4	62.3	0	0	0	0	108.3	P300 P304	P300-S302 PolarHBondContact O-N 3.45Å; S302-P304 WeakPolarHBondContact O-CD 3.16Å
303	Q	43.8	Very low	71.8	Confident	157 Å²	157	95 Å²	95	73%	0.734	55%	0.548	S	S	*	.			trans	-73.9	107.9	152.6	-80.5	-169.9	-12.9	0	0	105	S301 T305	S301-Q303 PolarHBondContact O-N 2.74Å; S301-Q303 PolarHBondContact OG-N 2.69Å; Q303-T305 PolarHBondContact O-N 3.33Å
304	P	43.6	Very low	71.1	Confident	99 Å²	99	93 Å²	93	64%	0.643	54%	0.54	S	S	*	.			trans	-59.5	114.1	161.5	25.6	-29.8	0	0	0	104.7	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.16Å; P304-I306 HydrophobicContact CB-CG1 4.16Å; P304-I306 HydrophobicContact CG-CG1 4.23Å; P304-I306 PolarHBondContact O-N 2.87Å
305	T	51.6	Low	70.5	Confident	133 Å²	133	95.4 Å²	95.4	82%	0.816	55%	0.553	S	S	*	*			trans	-63.1	77.5	156.8	-39.3	0	0	0	0	105	Q303 P307	Q303-T305 PolarHBondContact O-N 3.33Å; T305-P307 WeakPolarHBondContact O-CD 3.23Å
306	I	53.4	Low	69.7	Low	100 Å²	100	94.1 Å²	94.1	51%	0.513	55%	0.551	S	S	.	*			trans	-53.8	117.2	166.3	-62.9	176.5	0	0	0	102.5	P304 I308 I311	P304-I306 HydrophobicContact CB-CG1 4.16Å; P304-I306 HydrophobicContact CG-CG1 4.23Å; P304-I306 PolarHBondContact O-N 2.87Å; I306-I308 HydrophobicContact CG2-CG1 4.5Å; I306-I308 PolarHBondContact O-N 3.42Å; I306-I311 HydrophobicContact CG2-CD1 3.94Å
307	P	56.1	Low	69.1	Low	87 Å²	87	96.5 Å²	96.5	57%	0.565	57%	0.566	S	S	*	*			trans	-73.3	82.2	-177.6	29.7	-31.5	0	0	0	106	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.23Å; P307-V309 PolarHBondContact O-N 3.41Å; P307-V309 VanDerWaalsContact O-N 3.11Å; P307-G310 WeakPolarHBondContact O-CA 3.4Å; P307-G310 PolarHBondContact O-N 2.71Å; P307-I311 PolarHBondContact O-N 3.42Å
308	I	60	Low	68.5	Low	123 Å²	123	95.1 Å²	95.1	63%	0.631	57%	0.569	S	S	*	*	H	α-helix	trans	-53.5	-33.5	176.2	-66	169.6	0	0	0	108.4	I306 G310 I311 V312	I306-I308 HydrophobicContact CG2-CG1 4.5Å; I306-I308 PolarHBondContact O-N 3.42Å; I308-G310 PolarHBondContact O-N 3.06Å; I308-I311 PolarHBondContact O-N 3.3Å; I308-V312 HydrophobicContact CG2-CG2 4.26Å; I308-V312 WeakPolarHBondContact O-CB 3.38Å; I308-V312 WeakPolarHBondContact O-CG2 3.36Å; I308-V312 PolarHBondContact O-N 3.24Å
309	V	59.1	Low	67.9	Low	120 Å²	120	95.7 Å²	95.7	73%	0.727	58%	0.584	S	S	*	*	H	α-helix	trans	-60.4	-41.2	172.5	179.2	0	0	0	0	112.8	P307 A313	P307-V309 PolarHBondContact O-N 3.41Å; P307-V309 VanDerWaalsContact O-N 3.11Å; V309-A313 VanDerWaalsContact O-CB 3.23Å; V309-A313 WeakPolarHBondContact O-CB 3.44Å; V309-A313 PolarHBondContact O-N 2.89Å
310	G	64.2	Low	67.7	Low	42 Å²	42	92 Å²	92	43%	0.433	57%	0.572	S	S	.	*	H	α-helix	trans	-69.4	-38	179.8	0	0	0	0	0	113	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.4Å; P307-G310 PolarHBondContact O-N 2.71Å; I308-G310 PolarHBondContact O-N 3.06Å; G310-G314 PolarHBondContact O-N 3.33Å
311	I	71.8	Confident	67.8	Low	96 Å²	96	93.2 Å²	93.2	49%	0.492	57%	0.574	S	S	.	*	H	α-helix	trans	-70.5	-43.8	176.7	-61.7	173.4	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.94Å; P307-I311 PolarHBondContact O-N 3.42Å; I308-I311 PolarHBondContact O-N 3.3Å; I311-G314 PolarHBondContact O-N 3.01Å; I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 HydrophobicContact CG2-CG 4.47Å; I311-L315 WeakPolarHBondContact O-CB 3.39Å; I311-L315 WeakPolarHBondContact O-CG 3.45Å; I311-L315 PolarHBondContact O-N 3.2Å
312	V	72.9	Confident	68.7	Low	90 Å²	90	91.7 Å²	91.7	55%	0.545	57%	0.567	S	S	.	*	H	α-helix	trans	-65.6	-42.3	178.1	173.2	0	0	0	0	111.2	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.26Å; I308-V312 WeakPolarHBondContact O-CB 3.38Å; I308-V312 WeakPolarHBondContact O-CG2 3.36Å; I308-V312 PolarHBondContact O-N 3.24Å; V312-L315 PolarHBondContact O-N 2.91Å; V312-A316 WeakPolarHBondContact O-CB 3.31Å; V312-A316 PolarHBondContact O-N 3.01Å
313	A	72.6	Confident	70.2	Confident	52 Å²	52	90.8 Å²	90.8	43%	0.43	56%	0.557	S	S	.	*	H	α-helix	trans	-63.5	-43.1	174.6	0	0	0	0	0	111.8	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.23Å; V309-A313 WeakPolarHBondContact O-CB 3.44Å; V309-A313 PolarHBondContact O-N 2.89Å; A313-A316 PolarHBondContact O-N 3.11Å; A313-V317 VanDerWaalsContact O-CG2 3.31Å; A313-V317 WeakPolarHBondContact O-CG2 3.42Å; A313-V317 PolarHBondContact O-N 2.96Å
314	G	79.1	Confident	72	Confident	35 Å²	35	88.1 Å²	88.1	36%	0.361	55%	0.547	S	S	.	.	H	α-helix	trans	-61.6	-43.9	176.7	0	0	0	0	0	113.1	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.33Å; I311-G314 PolarHBondContact O-N 3.01Å; G314-V317 PolarHBondContact O-N 2.94Å; G314-L318 PolarHBondContact O-N 3.31Å
315	L	83.9	Confident	73.7	Confident	111 Å²	111	85.4 Å²	85.4	58%	0.581	54%	0.537	S	S	*	.	H	α-helix	trans	-67.2	-38.5	177	-72.5	172.7	0	0	0	112.4	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 HydrophobicContact CG2-CG 4.47Å; I311-L315 WeakPolarHBondContact O-CB 3.39Å; I311-L315 WeakPolarHBondContact O-CG 3.45Å; I311-L315 PolarHBondContact O-N 3.2Å; V312-L315 PolarHBondContact O-N 2.91Å; L315-L318 PolarHBondContact O-N 3.38Å; L315-A319 WeakPolarHBondContact O-CB 3.33Å; L315-A319 PolarHBondContact O-N 2.92Å
316	A	81	Confident	75	Confident	54 Å²	54	81.6 Å²	81.6	45%	0.446	52%	0.519	S	S	.	.	H	α-helix	trans	-63.5	-43.2	175.8	0	0	0	0	0	111.7	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.31Å; V312-A316 PolarHBondContact O-N 3.01Å; A313-A316 PolarHBondContact O-N 3.11Å; A316-A319 PolarHBondContact O-N 3.01Å; A316-V320 WeakPolarHBondContact O-CG2 3.48Å; A316-V320 PolarHBondContact O-N 3.21Å
317	V	83.4	Confident	76.1	Confident	86 Å²	86	80.7 Å²	80.7	52%	0.521	52%	0.518	S	S	.	.	H	α-helix	trans	-64	-44	176.5	172.8	0	0	0	0	111.1	A313 G314 A319 V320 L321	A313-V317 VanDerWaalsContact O-CG2 3.31Å; A313-V317 WeakPolarHBondContact O-CG2 3.42Å; A313-V317 PolarHBondContact O-N 2.96Å; G314-V317 PolarHBondContact O-N 2.94Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 3.25Å; V317-V320 PolarHBondContact O-N 3.49Å; V317-L321 HydrophobicContact CG1-CD1 3.98Å; V317-L321 HydrophobicContact CG1-CG 4.42Å; V317-L321 WeakPolarHBondContact O-CG 3.39Å; V317-L321 PolarHBondContact O-N 3.43Å
318	L	83.9	Confident	77.1	Confident	114 Å²	114	80.6 Å²	80.6	60%	0.597	52%	0.516	S	S	*	.	H	α-helix	trans	-61.2	-41.6	176.2	-85.3	163.7	0	0	0	112.5	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 3.31Å; L315-L318 PolarHBondContact O-N 3.38Å; L318-L321 PolarHBondContact O-N 3.26Å; L318-A322 WeakPolarHBondContact O-CB 3.43Å; L318-A322 PolarHBondContact O-N 3.41Å
319	A	83.1	Confident	77.7	Confident	57 Å²	57	77.3 Å²	77.3	47%	0.471	51%	0.507	S	S	.	.	H	α-helix	trans	-63.5	-43.5	176.5	0	0	0	0	0	111.8	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.33Å; L315-A319 PolarHBondContact O-N 2.92Å; A316-A319 PolarHBondContact O-N 3.01Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 3.25Å; A319-A322 PolarHBondContact O-N 2.88Å; A319-V323 WeakPolarHBondContact O-CG2 3.07Å; A319-V323 PolarHBondContact O-N 3.45Å
320	V	83.6	Confident	78.4	Confident	88 Å²	88	75.3 Å²	75.3	53%	0.533	49%	0.494	S	S	.	.	H	α-helix	trans	-62.8	-43.8	176.6	171.7	0	0	0	0	111.2	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.48Å; A316-V320 PolarHBondContact O-N 3.21Å; V317-V320 PolarHBondContact O-N 3.49Å; V320-A322 PolarHBondContact O-N 3.43Å; V320-V323 PolarHBondContact O-N 2.81Å; V320-L324 HydrophobicContact CG1-CD1 3.96Å; V320-L324 WeakPolarHBondContact O-CG 3.47Å; V320-L324 PolarHBondContact O-N 3.2Å
321	L	84.2	Confident	78.8	Confident	103 Å²	103	77.2 Å²	77.2	54%	0.539	50%	0.497	S	S	.	.	H	α-helix	trans	-64.4	-39.1	177.3	-71.3	173.3	0	0	0	112.3	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 3.98Å; V317-L321 HydrophobicContact CG1-CG 4.42Å; V317-L321 WeakPolarHBondContact O-CG 3.39Å; V317-L321 PolarHBondContact O-N 3.43Å; L318-L321 PolarHBondContact O-N 3.26Å; L321-L324 PolarHBondContact O-N 2.92Å; L321-G325 PolarHBondContact O-N 3.01Å
322	A	81.8	Confident	78.7	Confident	65 Å²	65	78.8 Å²	78.8	54%	0.537	51%	0.505	S	S	.	.	H	α-helix	trans	-64.1	-42	175.7	0	0	0	0	0	111.9	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.43Å; L318-A322 PolarHBondContact O-N 3.41Å; A319-A322 PolarHBondContact O-N 2.88Å; V320-A322 PolarHBondContact O-N 3.43Å; A322-G325 PolarHBondContact O-N 3.5Å; A322-A326 WeakPolarHBondContact O-CB 3.49Å; A322-A326 PolarHBondContact O-N 2.68Å
323	V	81.8	Confident	78.2	Confident	95 Å²	95	78.8 Å²	78.8	58%	0.576	51%	0.507	S	S	*	.	H	α-helix	trans	-64.7	-45.4	175.9	172.9	0	0	0	0	110.9	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.07Å; A319-V323 PolarHBondContact O-N 3.45Å; V320-V323 PolarHBondContact O-N 2.81Å; V323-G325 VanDerWaalsContact C-N 3.35Å; V323-G325 PolarHBondContact O-N 3.38Å; V323-A326 PolarHBondContact O-N 3.27Å; V323-V327 HydrophobicContact CG1-CG2 4.5Å; V323-V327 VanDerWaalsContact O-CG2 3.32Å; V323-V327 WeakPolarHBondContact O-CG2 3.37Å; V323-V327 PolarHBondContact O-N 3.4Å
324	L	80.6	Confident	77.6	Confident	100 Å²	100	85.3 Å²	85.3	52%	0.524	52%	0.521	S	S	.	.	H	α-helix	trans	-61.5	-43.4	176.1	-74.6	168.4	0	0	0	111.6	V320 L321 A326 V327 V328	V320-L324 HydrophobicContact CG1-CD1 3.96Å; V320-L324 WeakPolarHBondContact O-CG 3.47Å; V320-L324 PolarHBondContact O-N 3.2Å; L321-L324 PolarHBondContact O-N 2.92Å; L324-A326 PolarHBondContact O-N 2.93Å; L324-V327 PolarHBondContact O-N 3.33Å; L324-V328 WeakPolarHBondContact O-CG2 3.32Å; L324-V328 PolarHBondContact O-N 2.9Å
325	G	80.1	Confident	76.6	Confident	42 Å²	42	93.9 Å²	93.9	43%	0.433	54%	0.542	S	S	.	.	H	α-helix	trans	-59.7	-43.3	174.9	0	0	0	0	0	112.7	L321 A322 V323 V328 A329	L321-G325 PolarHBondContact O-N 3.01Å; A322-G325 PolarHBondContact O-N 3.5Å; V323-G325 VanDerWaalsContact C-N 3.35Å; V323-G325 PolarHBondContact O-N 3.38Å; G325-V328 PolarHBondContact O-N 3.44Å; G325-A329 WeakPolarHBondContact O-CB 3.49Å; G325-A329 PolarHBondContact O-N 2.6Å
326	A	77.6	Confident	74.9	Confident	54 Å²	54	97.3 Å²	97.3	45%	0.446	55%	0.553	S	S	.	*	H	α-helix	trans	-64.8	-41.5	176	0	0	0	0	0	112.3	A322 V323 L324 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.49Å; A322-A326 PolarHBondContact O-N 2.68Å; V323-A326 PolarHBondContact O-N 3.27Å; L324-A326 PolarHBondContact O-N 2.93Å; A326-A329 PolarHBondContact O-N 2.7Å; A326-V330 VanDerWaalsContact O-CG2 3.3Å; A326-V330 WeakPolarHBondContact O-CG2 3.35Å; A326-V330 PolarHBondContact O-N 3.37Å
327	V	78.1	Confident	73.5	Confident	81 Å²	81	99.3 Å²	99.3	49%	0.491	56%	0.563	S	S	.	*	H	α-helix	trans	-63.4	-44.5	176.4	173.3	0	0	0	0	110.8	V323 L324 A329 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.5Å; V323-V327 VanDerWaalsContact O-CG2 3.32Å; V323-V327 WeakPolarHBondContact O-CG2 3.37Å; V323-V327 PolarHBondContact O-N 3.4Å; L324-V327 PolarHBondContact O-N 3.33Å; V327-A329 PolarHBondContact O-N 3.32Å; V327-V330 PolarHBondContact O-N 2.91Å; V327-V331 HydrophobicContact CG1-CG2 4.35Å; V327-V331 WeakPolarHBondContact O-CB 3.14Å; V327-V331 VanDerWaalsContact O-CG2 3.27Å; V327-V331 WeakPolarHBondContact O-CG2 3.29Å; V327-V331 PolarHBondContact O-N 3.04Å
328	V	76.4	Confident	71.9	Confident	85 Å²	85	100 Å²	100	52%	0.515	57%	0.572	S	S	.	*	H	α-helix	trans	-61.6	-44.1	176.1	173	0	0	0	0	110.9	L324 G325 V330 V331 M332	L324-V328 WeakPolarHBondContact O-CG2 3.32Å; L324-V328 PolarHBondContact O-N 2.9Å; G325-V328 PolarHBondContact O-N 3.44Å; V328-V330 PolarHBondContact O-N 3.26Å; V328-V331 PolarHBondContact O-N 3.31Å; V328-M332 HydrophobicContact CG1-CG 4.41Å; V328-M332 HydrophobicContact CG1-SD 4.25Å; V328-M332 WeakPolarHBondContact O-CB 3.18Å; V328-M332 WeakPolarHBondContact O-CG 3.21Å; V328-M332 PolarHBondContact O-N 3.32Å
329	A	73.4	Confident	70	Confident	53 Å²	53	97.6 Å²	97.6	44%	0.438	58%	0.575	S	S	.	*	H	α-helix	trans	-61.2	-43.4	176.6	0	0	0	0	0	112.3	G325 A326 V327 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.49Å; G325-A329 PolarHBondContact O-N 2.6Å; A326-A329 PolarHBondContact O-N 2.7Å; V327-A329 PolarHBondContact O-N 3.32Å; A329-M332 PolarHBondContact O-N 3.03Å; A329-C333 WeakPolarHBondContact O-CB 3.48Å; A329-C333 PolarHBondContact O-N 2.74Å; A329-C333 PolarHBondContact O-SG 3.29Å
330	V	73.3	Confident	67.8	Low	78 Å²	78	98.6 Å²	98.6	47%	0.473	59%	0.59	S	S	.	*	H	α-helix	trans	-65.2	-41.5	176.5	169.9	0	0	0	0	111.5	A326 V327 V328 C333 R334	A326-V330 VanDerWaalsContact O-CG2 3.3Å; A326-V330 WeakPolarHBondContact O-CG2 3.35Å; A326-V330 PolarHBondContact O-N 3.37Å; V327-V330 PolarHBondContact O-N 2.91Å; V328-V330 PolarHBondContact O-N 3.26Å; V330-C333 PolarHBondContact O-N 3.06Å; V330-R334 WeakPolarHBondContact O-CB 3.27Å; V330-R334 WeakPolarHBondContact O-CG 3.44Å; V330-R334 PolarHBondContact O-N 2.72Å
331	V	72.1	Confident	65.5	Low	82 Å²	82	104.7 Å²	104.7	50%	0.497	61%	0.61	S	S	.	*	H	α-helix	trans	-66.5	-40.7	177.4	171.2	0	0	0	0	111	V327 V328 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.35Å; V327-V331 WeakPolarHBondContact O-CB 3.14Å; V327-V331 VanDerWaalsContact O-CG2 3.27Å; V327-V331 WeakPolarHBondContact O-CG2 3.29Å; V327-V331 PolarHBondContact O-N 3.04Å; V328-V331 PolarHBondContact O-N 3.31Å; V331-R334 PolarHBondContact O-N 2.93Å; V331-R335 WeakPolarHBondContact O-CB 3.46Å; V331-R335 PolarHBondContact O-N 2.86Å
332	M	70.6	Confident	63.1	Low	130 Å²	130	103.7 Å²	103.7	64%	0.64	62%	0.624	S	S	*	*	H	α-helix	trans	-66.2	-41.2	174.6	-73.1	-170.5	72.3	0	0	112.3	V328 A329 R334 R335 K336	V328-M332 HydrophobicContact CG1-CG 4.41Å; V328-M332 HydrophobicContact CG1-SD 4.25Å; V328-M332 WeakPolarHBondContact O-CB 3.18Å; V328-M332 WeakPolarHBondContact O-CG 3.21Å; V328-M332 PolarHBondContact O-N 3.32Å; A329-M332 PolarHBondContact O-N 3.03Å; M332-R334 VanDerWaalsContact C-N 3.34Å; M332-R334 PolarHBondContact O-N 3.15Å; M332-R335 PolarHBondContact O-N 3.43Å; M332-K336 WeakPolarHBondContact O-CB 3.17Å; M332-K336 PolarHBondContact O-N 3.29Å
333	C	62	Low	60.7	Low	89 Å²	89	104.4 Å²	104.4	60%	0.601	64%	0.638	S	S	*	*	H	α-helix	trans	-61.9	-40.9	173.1	-80.7	0	0	0	0	111.8	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.48Å; A329-C333 PolarHBondContact O-N 2.74Å; A329-C333 PolarHBondContact O-SG 3.29Å; V330-C333 PolarHBondContact O-N 3.06Å; C333-K336 PolarHBondContact O-N 3.06Å; C333-S337 PolarHBondContact O-N 3.21Å; C333-S337 PolarHBondContact O-OG 2.95Å
334	R	60.3	Low	58.5	Low	190 Å²	190	105.8 Å²	105.8	72%	0.717	65%	0.651	S	S	*	*	H	α-helix	trans	-69	-33	175.7	-80.2	-173	159	164.4	-2.9	113.6	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.27Å; V330-R334 WeakPolarHBondContact O-CG 3.44Å; V330-R334 PolarHBondContact O-N 2.72Å; V331-R334 PolarHBondContact O-N 2.93Å; M332-R334 VanDerWaalsContact C-N 3.34Å; M332-R334 PolarHBondContact O-N 3.15Å; R334-K336 VanDerWaalsContact C-N 3.32Å; R334-S337 PolarHBondContact O-OG 2.62Å
335	R	56.8	Low	56.2	Low	215 Å²	215	106.5 Å²	106.5	81%	0.811	66%	0.663	S	S	*	*	H	α-helix	trans	-70.3	-28.5	171.6	-116.1	-179.1	174.1	175.7	-1.3	112.5	V331 M332 S338	V331-R335 WeakPolarHBondContact O-CB 3.46Å; V331-R335 PolarHBondContact O-N 2.86Å; M332-R335 PolarHBondContact O-N 3.43Å; R335-S338 PolarHBondContact O-OG 3.27Å
336	K	50	Low	53.9	Low	183 Å²	183	110.5 Å²	110.5	80%	0.796	69%	0.685	S	S	*	*	H	α-helix	trans	-84.8	-22.7	178.3	-164	166.9	179.4	177.2	0	113.2	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.17Å; M332-K336 PolarHBondContact O-N 3.29Å; C333-K336 PolarHBondContact O-N 3.06Å; R334-K336 VanDerWaalsContact C-N 3.32Å
337	S	51.2	Low	51.9	Low	95 Å²	95	117.2 Å²	117.2	66%	0.664	71%	0.707	S	S	*	*	S	Bend	trans	-88.3	0.7	177.5	61.8	0	0	0	0	115.1	C333 R334 G339	C333-S337 PolarHBondContact O-N 3.21Å; C333-S337 PolarHBondContact O-OG 2.95Å; R334-S337 PolarHBondContact O-OG 2.62Å; S337-G339 VanDerWaalsContact C-N 3.3Å; S337-G339 PolarHBondContact O-N 3.13Å
338	S	48.5	Very low	49.8	Very low	102 Å²	102	117.6 Å²	117.6	71%	0.713	72%	0.719	S	S	*	*	S	Bend	trans	-91.5	23.8	174.2	70.8	0	0	0	0	113.8	R335	R335-S338 PolarHBondContact O-OG 3.27Å
339	G	43.9	Very low	47.9	Very low	63 Å²	63	118 Å²	118	65%	0.649	73%	0.731	S	S	*	*	S	Bend	trans	-152.9	100.2	174.2	0	0	0	0	0	112.7	S337	S337-G339 VanDerWaalsContact C-N 3.3Å; S337-G339 PolarHBondContact O-N 3.13Å
340	G	36.8	Very low	46	Very low	78 Å²	78	120.5 Å²	120.5	80%	0.804	75%	0.745	S	S	*	*			trans	108.1	84.6	150.7	0	0	0	0	0	119.1
341	K	36.4	Very low	44.2	Very low	216 Å²	216	122.5 Å²	122.5	94%	0.939	76%	0.763	S	S	*	*				36.4	127.3	120.8	-147.3	153.5	-175.1	173	0	122
342	G	33.4	Very low	42.6	Very low	82 Å²	82	126.4 Å²	126.4	85%	0.845	78%	0.781	S	S	*	*			trans	97.9	138	151.5	0	0	0	0	0	114.9
343	G	31.7	Very low	40.9	Very low	79 Å²	79	126.4 Å²	126.4	81%	0.814	79%	0.794	S	S	*	*			cis	171.8	142.6	2.6	0	0	0	0	0	109
344	S	34.8	Very low	39.9	Very low	124 Å²	124	126.8 Å²	126.8	87%	0.867	80%	0.803	S	S	*	*			trans	39.7	140.1	155.2	-155.5	0	0	0	0	125.8
345	C	33.4	Very low	38.9	Very low	115 Å²	115	127.3 Å²	127.3	78%	0.777	81%	0.814	S	S	*	*			trans	-26.1	151.1	162.6	-67.7	0	0	0	0	121.8
346	S	31.4	Very low	37.6	Very low	126 Å²	126	120.4 Å²	120.4	88%	0.881	81%	0.809	S	S	*	*				-169.8	142.6	109.4	14.5	0	0	0	0	115
347	Q	36.2	Very low	36.9	Very low	195 Å²	195	117.6 Å²	117.6	91%	0.911	81%	0.813	S	S	*	*			trans	-62.5	172	160.9	-115.2	166.4	-37.5	0	0	111.6
348	A	34.1	Very low	36.3	Very low	89 Å²	89	120.6 Å²	120.6	74%	0.736	82%	0.821	S	S	*	*			cis	-162	163.1	5.8	0	0	0	0	0	106.8
349	A	34.8	Very low	35.6	Very low	93 Å²	93	124.5 Å²	124.5	77%	0.769	83%	0.828	S	S	*	*				149.6	165.8	96.4	0	0	0	0	0	106.9
350	S	35.6	Very low	35	Very low	106 Å²	106	125.9 Å²	125.9	74%	0.741	83%	0.828	S	S	*	*			cis	-177.9	154.2	-25.6	61.5	0	0	0	0	105.1
351	S	33.6	Very low	34.8	Very low	121 Å²	121	129.5 Å²	129.5	85%	0.846	83%	0.828	S	S	*	*				171.7	133.1	129.3	43.6	0	0	0	0	112.6
352	N	38.4	Very low	34.6	Very low	164 Å²	164	126.5 Å²	126.5	88%	0.877	82%	0.821	S	S	*	*			trans	-92.7	162.4	176.7	-81.8	-25.3	0	0	0	111.1
353	S	35.8	Very low	34.6	Very low	130 Å²	130	127.3 Å²	127.3	91%	0.909	82%	0.82	S	S	*	*			trans	-154.3	140.3	140.6	21.1	0	0	0	0	110.4
354	A	41	Very low	34.7	Very low	96 Å²	96	129.5 Å²	129.5	79%	0.793	82%	0.821	S	S	*	*			trans	-134.2	144.3	-176.4	0	0	0	0	0	110.1
355	Q	38.2	Very low	34.6	Very low	201 Å²	201	133.2 Å²	133.2	94%	0.939	82%	0.822	S	S	*	*			trans	-168.4	110.6	158.9	-118.3	167.9	-12.2	0	0	106.6
356	G	31.4	Very low	34.9	Very low	70 Å²	70	136 Å²	136	72%	0.722	85%	0.853	S	S	*	*				87.1	131.9	92.1	0	0	0	0	0	110.1
357	S	35.2	Very low	35.1	Very low	125 Å²	125	136.5 Å²	136.5	87%	0.874	85%	0.851	S	S	*	*			cis	-164.7	172.8	17.8	-52.7	0	0	0	0	109.6
358	D	38.1	Very low	35	Very low	157 Å²	157	133.4 Å²	133.4	84%	0.84	85%	0.848	S	S	*	*			trans	-49.9	148.8	-175	-61.5	-57	0	0	0	119
359	E	32.6	Very low	35.1	Very low	184 Å²	184	135.9 Å²	135.9	86%	0.86	86%	0.855	S	S	*	*				179.7	134.3	110.6	-107.9	-167.4	140.6	0	0	115
360	S	31.7	Very low	35.1	Very low	93 Å²	93	138.4 Å²	138.4	65%	0.65	86%	0.86	S	S	*	*			trans	21.7	123.5	152.8	72.2	0	0	0	0	125.6
361	L	32.8	Very low	35.1	Very low	153 Å²	153	140.4 Å²	140.4	80%	0.801	87%	0.867	S	S	*	*				58.6	124.5	120.3	-69.8	168.1	0	0	0	123.8
362	I	33.2	Very low	35.2	Very low	154 Å²	154	141.7 Å²	141.7	79%	0.79	87%	0.868	S	S	*	*			trans	75.9	114.4	136.9	-59.1	165.8	0	0	0	118.4
363	A	33.6	Very low	34.9	Very low	99 Å²	99	140.1 Å²	140.1	82%	0.818	87%	0.868	S	S	*	*				-174.2	135.9	107.4	0	0	0	0	0	112
364	C	32.5	Very low	34.9	Very low	125 Å²	125	140.9 Å²	140.9	85%	0.845	87%	0.865	S	S	*	*			trans	-77.5	150.1	-173.8	-80.3	0	0	0	0	114.7
365	K	34	Very low	34.4	Very low	202 Å²	202	144.7 Å²	144.7	88%	0.878	87%	0.871	S	S	*	*				15.6	130.1	125.3	-98.9	176.9	173.2	177.8	0	117.4
366	A	39.2	Very low	34	Very low	173 Å²	173	139.5 Å²	139.5	100%	1.43	86%	0.864	S	S	*	*				-145.5	0	88.7	0	0	0	0	0	109.4

Retrieved 366 of 366 residues in 1619.3 ms (Link to these results)

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