A0A090KKK9_HUMAN Loading...

HLA class I antigen

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

AlphaFold DB , UniProt , Accession A0A090KKK9, 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	32.3	Very low	42.2	Very low	242 Å²	242	144.3 Å²	144.3	100%	1.192	73%	0.727	S	S	*	*				0	136.7	0	-67.3	153.5	174.5	0	0	108.2
2	R	33.9	Very low	42.4	Very low	250 Å²	250	143.5 Å²	143.5	94%	0.943	73%	0.725	S	S	*	*			trans	-119.2	111.8	165.1	-90.3	-176.7	170.8	167.8	-2.5	106.7	M4	R2-M4 PolarHBondContact O-N 3.33Å
3	V	37	Very low	42.2	Very low	145 Å²	145	140.2 Å²	140.2	88%	0.879	71%	0.71	S	S	*	*			trans	-75.6	113.2	173.1	179.3	0	0	0	0	107	A5	V3-A5 PolarHBondContact O-N 2.68Å
4	M	40.5	Very low	42.1	Very low	174 Å²	174	134.6 Å²	134.6	86%	0.857	69%	0.69	S	S	*	*			trans	-87.4	103.1	177.1	-144.3	168.6	70	0	0	107.5	R2	R2-M4 PolarHBondContact O-N 3.33Å
5	A	43.1	Very low	42.2	Very low	63 Å²	63	128.1 Å²	128.1	52%	0.521	67%	0.669	S	S	.	*			trans	-60.7	145.7	179	0	0	0	0	0	111	V3 R7	V3-A5 PolarHBondContact O-N 2.68Å; A5-R7 PolarHBondContact O-N 3.42Å
6	P	44	Very low	42.3	Very low	77 Å²	77	123.3 Å²	123.3	50%	0.5	65%	0.654	S	S	.	*			trans	-64.3	120.1	-179.7	-18.9	31.6	0	0	0	110.9	T8 L9	P6-T8 PolarHBondContact O-N 2.68Å; P6-T8 VanDerWaalsContact O-N 3.14Å; P6-L9 PolarHBondContact O-N 2.91Å; P6-L9 VanDerWaalsContact O-N 3.08Å
7	R	46.8	Very low	42.1	Very low	210 Å²	210	122.4 Å²	122.4	79%	0.792	65%	0.649	S	S	*	*	H	α-helix	trans	-59.6	-24.6	178.7	-80.3	178.9	163.8	148.8	-6.5	113.4	A5 L11	A5-R7 PolarHBondContact O-N 3.42Å; R7-L11 PolarHBondContact O-N 3.2Å
8	T	49.3	Very low	41.9	Very low	100 Å²	100	118.5 Å²	118.5	61%	0.613	64%	0.637	S	S	*	*	H	α-helix	trans	-64.3	-40.7	174	41.3	0	0	0	0	112.9	P6 I10 L11 L12	P6-T8 PolarHBondContact O-N 2.68Å; P6-T8 VanDerWaalsContact O-N 3.14Å; T8-I10 VanDerWaalsContact C-N 3.32Å; T8-I10 PolarHBondContact O-N 2.96Å; T8-L11 PolarHBondContact O-N 2.81Å; T8-L12 PolarHBondContact O-N 3.06Å
9	L	43.8	Very low	41.7	Very low	107 Å²	107	117.8 Å²	117.8	56%	0.56	63%	0.632	S	S	*	*	H	α-helix	trans	-65	-38.5	-179.5	-137.3	93.6	0	0	0	111.6	P6 L11 L12 L13	P6-L9 PolarHBondContact O-N 2.91Å; P6-L9 VanDerWaalsContact O-N 3.08Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L12 PolarHBondContact O-N 2.97Å; L9-L13 WeakPolarHBondContact O-CG 3.5Å; L9-L13 PolarHBondContact O-N 3.09Å; L9-L13 VanDerWaalsContact O-N 3.1Å
10	I	44.6	Very low	41.6	Very low	93 Å²	93	115.8 Å²	115.8	48%	0.477	63%	0.625	S	S	.	*	H	α-helix	trans	-65.4	-38.6	179.4	-60	174.1	0	0	0	110.9	T8 S14	T8-I10 VanDerWaalsContact C-N 3.32Å; T8-I10 PolarHBondContact O-N 2.96Å; I10-S14 WeakPolarHBondContact O-CB 3.39Å; I10-S14 PolarHBondContact O-N 3.24Å; I10-S14 PolarHBondContact O-OG 2.9Å
11	L	48.7	Very low	41.5	Very low	126 Å²	126	118.4 Å²	118.4	66%	0.66	63%	0.633	S	S	*	*	H	α-helix	trans	-69.6	-40.7	179.4	-73.4	167.1	0	0	0	112.5	R7 T8 L9 S14 G15	R7-L11 PolarHBondContact O-N 3.2Å; T8-L11 PolarHBondContact O-N 2.81Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L11-S14 PolarHBondContact O-N 3.02Å; L11-G15 PolarHBondContact O-N 2.97Å
12	L	45.2	Very low	42.1	Very low	135 Å²	135	111 Å²	111	71%	0.707	60%	0.601	S	S	*	*	H	α-helix	trans	-65	-44.5	175.4	-72.4	167.9	0	0	0	111.8	T8 L9 S14 G15 A16	T8-L12 PolarHBondContact O-N 3.06Å; L9-L12 PolarHBondContact O-N 2.97Å; L12-S14 VanDerWaalsContact C-N 3.29Å; L12-S14 PolarHBondContact O-N 2.81Å; L12-G15 PolarHBondContact O-N 3.31Å; L12-A16 PolarHBondContact O-N 3.41Å
13	L	39.2	Very low	42.8	Very low	100 Å²	100	104.1 Å²	104.1	52%	0.524	58%	0.575	S	S	.	*	H	α-helix	trans	-62	-36.3	173.5	-75.3	165.7	0	0	0	112.3	L9 L17	L9-L13 WeakPolarHBondContact O-CG 3.5Å; L9-L13 PolarHBondContact O-N 3.09Å; L9-L13 VanDerWaalsContact O-N 3.1Å; L13-L17 VanDerWaalsContact O-CB 3.29Å; L13-L17 WeakPolarHBondContact O-CB 3.16Å; L13-L17 WeakPolarHBondContact O-CD1 3.39Å; L13-L17 VanDerWaalsContact O-CG 3.26Å; L13-L17 WeakPolarHBondContact O-CG 3.42Å; L13-L17 PolarHBondContact O-N 2.92Å
14	S	41.4	Very low	43.7	Very low	62 Å²	62	100 Å²	100	43%	0.434	56%	0.557	S	S	.	*	H	α-helix	trans	-67.8	-37.7	176	-58.6	0	0	0	0	112.1	I10 L11 L12 A18	I10-S14 WeakPolarHBondContact O-CB 3.39Å; I10-S14 PolarHBondContact O-N 3.24Å; I10-S14 PolarHBondContact O-OG 2.9Å; L11-S14 PolarHBondContact O-N 3.02Å; L12-S14 VanDerWaalsContact C-N 3.29Å; L12-S14 PolarHBondContact O-N 2.81Å; S14-A18 VanDerWaalsContact O-CB 3.26Å; S14-A18 WeakPolarHBondContact O-CB 3.42Å; S14-A18 PolarHBondContact O-N 3.08Å
15	G	42.9	Very low	45.6	Very low	37 Å²	37	92.9 Å²	92.9	38%	0.381	53%	0.528	S	S	.	.	H	α-helix	trans	-64.7	-47.3	174	0	0	0	0	0	112.4	L11 L12 L19	L11-G15 PolarHBondContact O-N 2.97Å; L12-G15 PolarHBondContact O-N 3.31Å; G15-L19 WeakPolarHBondContact O-CB 3.35Å; G15-L19 PolarHBondContact O-N 3.14Å
16	A	44.2	Very low	47.9	Very low	51 Å²	51	92 Å²	92	42%	0.421	52%	0.518	S	S	.	.	H	α-helix	trans	-63.5	-45.4	176.7	0	0	0	0	0	112.3	L12 L19 T20	L12-A16 PolarHBondContact O-N 3.41Å; A16-L19 CarbonylContact O-C 3.55Å; A16-L19 PolarHBondContact O-N 3.1Å; A16-T20 PolarHBondContact O-N 3.22Å
17	L	38.4	Very low	50.4	Low	108 Å²	108	89.6 Å²	89.6	57%	0.565	50%	0.5	S	S	*	.	H	α-helix	trans	-64.8	-42.8	179	-75.2	166.7	0	0	0	112.3	L13 L19 T20 E21	L13-L17 VanDerWaalsContact O-CB 3.29Å; L13-L17 WeakPolarHBondContact O-CB 3.16Å; L13-L17 WeakPolarHBondContact O-CD1 3.39Å; L13-L17 VanDerWaalsContact O-CG 3.26Å; L13-L17 WeakPolarHBondContact O-CG 3.42Å; L13-L17 PolarHBondContact O-N 2.92Å; L17-L19 VanDerWaalsContact C-N 3.29Å; L17-L19 PolarHBondContact O-N 3.4Å; L17-T20 WeakPolarHBondContact CA-OG1 3.44Å; L17-T20 PolarHBondContact O-N 3.42Å; L17-T20 PolarHBondContact O-OG1 3.1Å; L17-E21 PolarHBondContact O-N 3.5Å
18	A	38.3	Very low	52.8	Low	53 Å²	53	80.7 Å²	80.7	44%	0.438	47%	0.469	S	S	.	.	H	α-helix	trans	-60.1	-40.1	174	0	0	0	0	0	111.8	S14 T20 E21 T22	S14-A18 VanDerWaalsContact O-CB 3.26Å; S14-A18 WeakPolarHBondContact O-CB 3.42Å; S14-A18 PolarHBondContact O-N 3.08Å; A18-T20 PolarHBondContact O-N 3.24Å; A18-E21 PolarHBondContact O-N 3.31Å; A18-T22 WeakPolarHBondContact O-CG2 3.46Å; A18-T22 PolarHBondContact O-N 3.14Å; A18-T22 PolarHBondContact O-OG1 3.49Å
19	L	39.1	Very low	55.2	Low	105 Å²	105	75.9 Å²	75.9	55%	0.55	44%	0.44	S	S	.	.	H	α-helix	trans	-72.1	-9.1	173.4	-89	163.5	0	0	0	114.5	G15 A16 L17 W23	G15-L19 WeakPolarHBondContact O-CB 3.35Å; G15-L19 PolarHBondContact O-N 3.14Å; A16-L19 CarbonylContact O-C 3.55Å; A16-L19 PolarHBondContact O-N 3.1Å; L17-L19 VanDerWaalsContact C-N 3.29Å; L17-L19 PolarHBondContact O-N 3.4Å; L19-W23 PolarHBondContact O-NE1 2.87Å
20	T	39.6	Very low	57.8	Low	78 Å²	78	73 Å²	73	48%	0.479	42%	0.422	S	S	.	.	H	α-helix	trans	-93.7	-36	166.3	53.6	0	0	0	0	112.5	A16 L17 A18 T22	A16-T20 PolarHBondContact O-N 3.22Å; L17-T20 WeakPolarHBondContact CA-OG1 3.44Å; L17-T20 PolarHBondContact O-N 3.42Å; L17-T20 PolarHBondContact O-OG1 3.1Å; A18-T20 PolarHBondContact O-N 3.24Å; T20-T22 PolarHBondContact O-N 3.46Å
21	E	38.9	Very low	60.4	Low	170 Å²	170	68.9 Å²	68.9	79%	0.794	40%	0.4	S	S	*	.	H	α-helix	trans	-71.4	-24.9	-179.9	-91.7	-170.8	143.3	0	0	114.1	L17 A18	L17-E21 PolarHBondContact O-N 3.5Å; A18-E21 PolarHBondContact O-N 3.31Å
22	T	44.4	Very low	62.8	Low	87 Å²	87	67 Å²	67	53%	0.534	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-21.3	-177.8	51.1	0	0	0	0	115.1	A18 T20 S26	A18-T22 WeakPolarHBondContact O-CG2 3.46Å; A18-T22 PolarHBondContact O-N 3.14Å; A18-T22 PolarHBondContact O-OG1 3.49Å; T20-T22 PolarHBondContact O-N 3.46Å; T22-S26 PolarHBondContact O-OG 2.98Å
23	W	48.2	Very low	65.3	Low	105 Å²	105	61 Å²	61	40%	0.398	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-47.9	-171.4	-68.4	79.8	0	0	0	112.6	L19 G25 S26 E236 E288	L19-W23 PolarHBondContact O-NE1 2.87Å; W23-G25 PolarHBondContact O-N 3.32Å; W23-S26 PolarHBondContact O-N 3.13Å; W23-E236 HydrophobicContact CE3-CB 4.35Å; W23-E236 HydrophobicContact CE3-CG 4.41Å; W23-E236 HydrophobicContact CH2-CB 3.9Å; W23-E236 HydrophobicContact CH2-CG 3.36Å; W23-E236 HydrophobicContact CZ2-CG 4.03Å; W23-E236 HydrophobicContact CZ3-CB 3.56Å; W23-E236 HydrophobicContact CZ3-CG 3.57Å; W23-E288 HydrophobicContact CB-CG 4.44Å
24	A	57.8	Low	68.2	Low	60 Å²	60	58.4 Å²	58.4	50%	0.496	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	99.6	-171	0	0	0	0	0	113.7	P129 E288	A24-P129 WeakPolarHBondContact O-CG 3.37Å; A24-E288 WeakPolarHBondContact CA-OE1 3.27Å
25	G	79	Confident	70.9	Confident	23 Å²	23	55.5 Å²	55.5	24%	0.237	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	16.2	176.6	0	0	0	0	0	116.7	W23 H27 P129 E288	W23-G25 PolarHBondContact O-N 3.32Å; G25-H27 PolarHBondContact O-CD2 3.29Å; G25-P129 WeakPolarHBondContact O-CA 3.44Å; G25-E288 PolarHBondContact N-OE1 3.2Å
26	S	92.3	Very high	73.5	Confident	44 Å²	44	55.6 Å²	55.6	31%	0.308	32%	0.316	S	S	.	.			trans	-77.6	140.2	160.6	-67.6	0	0	0	0	109.7	T22 W23 V127	T22-S26 PolarHBondContact O-OG 2.98Å; W23-S26 PolarHBondContact O-N 3.13Å; S26-V127 WeakPolarHBondContact CA-O 3.4Å
27	H	96.3	Very high	76.1	Confident	28 Å²	28	54 Å²	54	13%	0.13	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	157.9	-175.5	-69.8	-73.9	0	0	0	112.5	G25 D53 D126 V127 L192 L196	G25-H27 PolarHBondContact O-CD2 3.29Å; H27-D53 WeakPolarHBondContact CA-OD1 3.44Å; H27-D53 IonicContact CE1-OD2 2.65Å; H27-D53 IonicContact CG-OD2 2.68Å; H27-D53 IonicContact ND1-OD1 2.8Å; H27-D53 IonicContact ND1-OD2 3.63Å; H27-D53 PolarHBondContact ND1-OD2 2.9Å; H27-D126 CarbonylContact O-C 3.58Å; H27-D126 WeakPolarHBondContact O-CA 3.46Å; H27-V127 HydrophobicContact CB-CG2 4.08Å; H27-V127 PolarHBondContact N-O 3.14Å; H27-V127 PolarHBondContact O-N 2.86Å; H27-L192 HydrophobicContact CB-CD1 4.48Å; H27-L196 HydrophobicContact CB-CD1 3.69Å; H27-L196 HydrophobicContact CB-CD2 4.06Å; H27-L196 HydrophobicContact CB-CG 4.47Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.17Å
28	S	97.9	Very high	78.8	Confident	22 Å²	22	51.9 Å²	51.9	15%	0.154	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	150.7	-177.5	65.7	0	0	0	0	112.8	V52 D53 C125 D126	S28-V52 VanDerWaalsContact O-CA 3.32Å; S28-V52 WeakPolarHBondContact O-CA 3.45Å; S28-D53 PolarHBondContact N-OD1 3.23Å; S28-D53 PolarHBondContact O-N 2.71Å; S28-D53 PolarHBondContact OG-OD1 2.83Å; S28-C125 WeakPolarHBondContact CA-O 3.43Å; S28-D126 WeakPolarHBondContact CB-OD1 3.42Å
29	M	98.7	Very high	81.3	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	117.9	165.1	-179.3	174.6	61.3	0	0	109	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.19Å; M29-Y31 HydrophobicContact CG-CE2 4.09Å; M29-Y31 HydrophobicContact SD-CE2 3.95Å; M29-Y51 WeakPolarHBondContact CA-O 3.27Å; M29-V52 HydrophobicContact CB-CG2 4.45Å; M29-V52 HydrophobicContact CG-CG2 4.3Å; M29-F57 HydrophobicContact CG-CE1 4.36Å; M29-F57 HydrophobicContact SD-CZ 4.31Å; M29-G124 CarbonylContact O-C 3.59Å; M29-G124 WeakPolarHBondContact O-CA 3.46Å; M29-C125 PolarHBondContact N-O 3.41Å; M29-C125 PolarHBondContact O-N 2.74Å; M29-C188 HydrophobicContact CE-CB 4.16Å; M29-C188 WeakPolarHBondContact CE-O 3.29Å; M29-C188 WeakPolarHBondContact CE-SG 3.47Å; M29-W191 HydrophobicContact CE-CB 4.13Å; M29-W191 HydrophobicContact SD-CB 4.4Å; M29-L192 HydrophobicContact CB-CB 4.01Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 4.09Å; M29-L192 HydrophobicContact CB-CG 4.26Å; M29-L192 HydrophobicContact CE-CB 4.42Å; M29-Y195 HydrophobicContact SD-CD2 3.8Å; M29-Y195 HydrophobicContact SD-CE2 3.52Å; M29-Y195 VanDerWaalsContact SD-CE2 3.52Å
30	R	98.6	Very high	83.7	Confident	47 Å²	47	51.2 Å²	51.2	18%	0.177	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.8	-175	-53.4	-61.4	-171.5	75.3	3.8	110.7	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.5Å; R30-F32 HydrophobicContact CB-CE2 3.68Å; R30-F32 HydrophobicContact CB-CZ 3.99Å; R30-G50 WeakPolarHBondContact O-CA 3.45Å; R30-Y51 PolarHBondContact N-O 2.84Å; R30-Y51 PolarHBondContact O-N 2.83Å; R30-D126 IonicContact CZ-OD1 3.63Å; R30-D126 VanDerWaalsContact CZ-OD1 3.23Å; R30-D126 IonicContact CZ-OD2 2.79Å; R30-D126 IonicContact NE-OD1 3.89Å; R30-D126 PolarHBondContact NE-OD1 3.48Å; R30-D126 IonicContact NH2-OD1 3.36Å; R30-D126 PolarHBondContact NH2-OD1 2.94Å; R30-D126 IonicContact NH2-OD2 3.9Å; R30-D126 PolarHBondContact NH2-OD2 2.86Å; R30-Y137 VanDerWaalsContact NH2-CE2 3.31Å; R30-Y137 PolarHBondContact NH2-OH 2.6Å
31	Y	98.8	Very high	86.2	Confident	5 Å²	5	57.6 Å²	57.6	2%	0.02	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	133.2	172.4	-72.1	-90.6	0	0	0	109.6	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.19Å; M29-Y31 HydrophobicContact CG-CE2 4.09Å; M29-Y31 HydrophobicContact SD-CE2 3.95Å; Y31-Y33 HydrophobicContact CD1-CE1 4.34Å; Y31-V49 WeakPolarHBondContact CA-O 3.39Å; Y31-F57 HydrophobicContact CE1-CZ 4.11Å; Y31-F57 AromaticContact CZ-CZ 3.86Å; Y31-V58 HydrophobicContact CE1-CG1 4.11Å; Y31-M122 WeakPolarHBondContact O-CA 3.34Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.42Å; Y31-Y123 HydrophobicContact CD2-CE1 4.48Å; Y31-Y123 AromaticContact CD2-CE2 3.81Å; Y31-Y123 HydrophobicContact CD2-CE2 3.81Å; Y31-Y123 AromaticContact CD2-CZ 3.75Å; Y31-Y123 HydrophobicContact CG-CE1 4.12Å; Y31-Y123 HydrophobicContact CG-CE2 4.27Å; Y31-Y123 AromaticContact CG-CZ 3.74Å; Y31-Y123 PolarHBondContact N-O 3.5Å; Y31-Y123 PolarHBondContact O-N 3.42Å
32	F	98.9	Very high	88.6	Confident	87 Å²	87	52.4 Å²	52.4	38%	0.382	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	119	178.4	-56	-97.7	0	0	0	109.3	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.5Å; R30-F32 HydrophobicContact CB-CE2 3.68Å; R30-F32 HydrophobicContact CB-CZ 3.99Å; F32-A48 WeakPolarHBondContact O-CA 3.29Å; F32-V49 HydrophobicContact CB-CG2 3.86Å; F32-V49 HydrophobicContact CD2-CG2 4.36Å; F32-V49 PolarHBondContact N-O 3.44Å; F32-V49 PolarHBondContact O-N 2.84Å; F32-Y51 HydrophobicContact CD2-CD2 4.16Å; F32-Y51 HydrophobicContact CE2-CD2 4.2Å; F32-R121 WeakPolarHBondContact CA-O 3.44Å; F32-M122 HydrophobicContact CD1-CB 3.99Å; F32-M122 HydrophobicContact CD1-CG 3.59Å; F32-M122 HydrophobicContact CE1-CB 4.15Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CG-CG 4.4Å; F32-M122 HydrophobicContact CZ-CG 3.98Å
33	Y	98.8	Very high	91	Very high	8 Å²	8	52.7 Å²	52.7	3%	0.031	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	138.6	177.7	-58.2	-20.8	0	0	0	110.1	Y31 F46 I47 A48 Y91 Q94 Q120 R121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.34Å; Y33-F46 HydrophobicContact CD1-CZ 4.16Å; Y33-F46 HydrophobicContact CD2-CE2 4.48Å; Y33-F46 HydrophobicContact CD2-CZ 4.12Å; Y33-F46 HydrophobicContact CG-CE2 4.25Å; Y33-F46 AromaticContact CG-CZ 3.85Å; Y33-F46 HydrophobicContact CG-CZ 3.85Å; Y33-I47 WeakPolarHBondContact CA-O 3.32Å; Y33-A48 HydrophobicContact CD1-CB 3.26Å; Y33-A48 HydrophobicContact CE1-CB 3.41Å; Y33-A48 VanDerWaalsContact CE1-CB 3.41Å; Y33-A48 HydrophobicContact CG-CB 4.28Å; Y33-Y91 AromaticContact CE1-CD1 3.99Å; Y33-Y91 HydrophobicContact CE1-CD1 3.99Å; Y33-Y91 AromaticContact CE1-CE1 3.75Å; Y33-Y91 HydrophobicContact CE1-CE1 3.75Å; Y33-Y91 AromaticContact CZ-CE1 3.98Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.16Å; Y33-Q94 HydrophobicContact CD2-CG 3.55Å; Y33-Q94 HydrophobicContact CE2-CB 4.37Å; Y33-Q94 HydrophobicContact CE2-CG 3.69Å; Y33-Q94 HydrophobicContact CG-CG 4.48Å; Y33-Q120 CarbonylContact O-C 3.47Å; Y33-Q120 VanDerWaalsContact O-CA 3.28Å; Y33-Q120 WeakPolarHBondContact O-CA 3.21Å; Y33-R121 PolarHBondContact N-O 3.19Å; Y33-R121 PolarHBondContact O-N 3.44Å; Y33-Y123 HydrophobicContact CD2-CE1 4.11Å; Y33-Y123 HydrophobicContact CE1-CE1 4.27Å; Y33-Y123 HydrophobicContact CE2-CD1 4.39Å; Y33-Y123 AromaticContact CE2-CE1 3.47Å; Y33-Y123 HydrophobicContact CE2-CE1 3.47Å; Y33-Y123 VanDerWaalsContact CE2-CE1 3.47Å; Y33-Y123 AromaticContact CZ-CE1 3.58Å; Y33-Y123 PolarHBondContact OH-OH 3.37Å
34	T	98.8	Very high	93.3	Very high	46 Å²	46	48.9 Å²	48.9	28%	0.282	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	123.9	177.8	-58.4	0	0	0	0	109.5	V36 F46 I47 I118 I119 Q120	T34-V36 HydrophobicContact CG2-CG2 4.03Å; T34-F46 WeakPolarHBondContact O-CA 3.37Å; T34-I47 PolarHBondContact N-O 3.07Å; T34-I47 PolarHBondContact O-N 2.78Å; T34-I118 HydrophobicContact CG2-CG2 3.91Å; T34-I119 WeakPolarHBondContact CA-O 3.47Å; T34-Q120 HydrophobicContact CG2-CG 4.13Å
35	A	98.6	Very high	95.2	Very high	2 Å²	2	48 Å²	48	2%	0.017	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	113.1	177.6	0	0	0	0	0	110.4	H45 F46 D98 L102 I118 I119	A35-H45 CarbonylContact C-O 3.54Å; A35-H45 VanDerWaalsContact CA-O 3.29Å; A35-H45 WeakPolarHBondContact CA-O 3.42Å; A35-F46 HydrophobicContact CB-CD2 4.21Å; A35-D98 HydrophobicContact CB-CB 3.62Å; A35-L102 HydrophobicContact CB-CD1 4.05Å; A35-I118 WeakPolarHBondContact O-CA 3.44Å; A35-I119 HydrophobicContact CB-CB 4.43Å; A35-I119 PolarHBondContact N-O 3.39Å; A35-I119 PolarHBondContact O-N 2.99Å
36	V	98.4	Very high	96.1	Very high	38 Å²	38	47.1 Å²	47.1	23%	0.23	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	116.2	-176.9	-176.9	0	0	0	0	109.8	T34 P44 H45 I118	T34-V36 HydrophobicContact CG2-CG2 4.03Å; V36-P44 CarbonylContact O-C 3.44Å; V36-P44 WeakPolarHBondContact O-CA 3.34Å; V36-P44 WeakPolarHBondContact O-CB 3.01Å; V36-H45 HydrophobicContact CB-CB 4.39Å; V36-H45 PolarHBondContact N-O 2.9Å; V36-H45 PolarHBondContact O-N 3.45Å; V36-I118 HydrophobicContact CG1-CG1 4.27Å; V36-I118 HydrophobicContact CG2-CD1 4.4Å; V36-I118 HydrophobicContact CG2-CG1 4.18Å; V36-I118 HydrophobicContact CG2-CG2 4.29Å
37	S	97.6	Very high	96.5	Very high	18 Å²	18	47.5 Å²	47.5	13%	0.126	27%	0.265	C	S	.	.			trans	-71.1	143.4	175.3	78.8	0	0	0	0	111.7	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.37Å; S37-S116 PolarHBondContact O-OG 3.49Å; S37-H117 PolarHBondContact N-O 3.06Å; S37-H117 PolarHBondContact OG-N 2.94Å; S37-H117 PolarHBondContact OG-O 3.3Å
38	R	95.5	Very high	96.6	Very high	64 Å²	64	46.1 Å²	46.1	24%	0.242	26%	0.259	C	S	.	.			trans	-131	73.1	-173.2	-59.8	-172.5	-71.5	-164.6	-5.6	112.2	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.21Å; R38-R41 HydrophobicContact CB-CB 4.14Å; R38-R41 PolarHBondContact O-N 2.81Å; R38-E43 PolarHBondContact NE-O 2.83Å; R38-E43 PolarHBondContact NH2-O 2.89Å; R38-D63 IonicContact CZ-OD1 3.13Å; R38-D63 IonicContact CZ-OD2 2.76Å; R38-D63 IonicContact NH1-OD1 2.76Å; R38-D63 IonicContact NH1-OD2 3.33Å; R38-D63 PolarHBondContact NH1-OD2 2.8Å; R38-D63 IonicContact NH2-OD1 3.33Å; R38-D63 PolarHBondContact NH2-OD1 3.31Å; R38-D63 IonicContact NH2-OD2 2.68Å; R38-D63 PolarHBondContact NH2-OD2 3.01Å
39	P	91.4	Very high	96.6	Very high	52 Å²	52	46.4 Å²	46.4	34%	0.338	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	129.2	-178.9	-27.9	35.3	0	0	0	112.9	R41 E113 R115	P39-R41 PolarHBondContact O-N 2.99Å; P39-E113 WeakPolarHBondContact CB-O 3.43Å; P39-E113 VanDerWaalsContact CG-O 3.26Å; P39-E113 WeakPolarHBondContact CG-O 3.48Å; P39-R115 VanDerWaalsContact CG-O 3.3Å; P39-R115 WeakPolarHBondContact CG-O 3.32Å
40	G	89.4	Confident	96.6	Very high	91 Å²	91	46.4 Å²	46.4	94%	0.938	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	4	-178.5	0	0	0	0	0	116	R38	R38-G40 PolarHBondContact O-N 3.21Å
41	R	91.1	Very high	96.6	Very high	213 Å²	213	47.7 Å²	47.7	80%	0.804	27%	0.265	S	S	*	.	S	Bend	trans	-125.2	28.9	-177.9	-58.6	-175.2	-177.6	-166.8	1.1	113.2	R38 P39	R38-R41 HydrophobicContact CB-CB 4.14Å; R38-R41 PolarHBondContact O-N 2.81Å; P39-R41 PolarHBondContact O-N 2.99Å
42	G	90.4	Very high	96.6	Very high	61 Å²	61	47.4 Å²	47.4	63%	0.629	26%	0.264	S	S	*	.	S	Bend	trans	88.1	-149.7	179.6	0	0	0	0	0	113.4
43	E	93.8	Very high	96.5	Very high	92 Å²	92	44.7 Å²	44.7	43%	0.43	25%	0.253	S	S	.	.	S	Bend	trans	-80.9	160.2	-174.4	-65.7	-61.2	170.5	0	0	112.9	R38 H45 R99	R38-E43 PolarHBondContact NE-O 2.83Å; R38-E43 PolarHBondContact NH2-O 2.89Å; E43-H45 PolarHBondContact O-N 2.66Å; E43-R99 IonicContact OE1-CZ 2.92Å; E43-R99 IonicContact OE1-NE 3.84Å; E43-R99 PolarHBondContact OE1-NE 3.3Å; E43-R99 IonicContact OE1-NH2 3.39Å; E43-R99 PolarHBondContact OE1-NH2 2.88Å; E43-R99 WeakPolarHBondContact OE2-CD 3.49Å; E43-R99 IonicContact OE2-CZ 3.42Å; E43-R99 IonicContact OE2-NE 3.72Å; E43-R99 PolarHBondContact OE2-NE 2.91Å; E43-R99 IonicContact OE2-NH2 3.37Å
44	P	96.8	Very high	96.3	Very high	25 Å²	25	47.2 Å²	47.2	16%	0.162	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-53.6	138.3	174	-26.8	36.1	0	0	0	112.6	V36 F46 R99 L102	V36-P44 CarbonylContact O-C 3.44Å; V36-P44 WeakPolarHBondContact O-CA 3.34Å; V36-P44 WeakPolarHBondContact O-CB 3.01Å; P44-F46 PolarHBondContact O-N 3.41Å; P44-R99 HydrophobicContact CG-CB 4.33Å; P44-R99 HydrophobicContact CG-CG 4.28Å; P44-L102 HydrophobicContact CB-CD1 3.6Å; P44-L102 HydrophobicContact CG-CD1 3.66Å
45	H	98.3	Very high	96.2	Very high	43 Å²	43	46.2 Å²	46.2	20%	0.199	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	123.8	170.1	-164.3	174.9	0	0	0	107.8	A35 V36 E43 D61 S62 D63	A35-H45 CarbonylContact C-O 3.54Å; A35-H45 VanDerWaalsContact CA-O 3.29Å; A35-H45 WeakPolarHBondContact CA-O 3.42Å; V36-H45 HydrophobicContact CB-CB 4.39Å; V36-H45 PolarHBondContact N-O 2.9Å; V36-H45 PolarHBondContact O-N 3.45Å; E43-H45 PolarHBondContact O-N 2.66Å; H45-D61 IonicContact CD2-OD1 3.45Å; H45-D61 IonicContact CE1-OD1 3.45Å; H45-D61 IonicContact NE2-OD1 3.32Å; H45-D61 PolarHBondContact NE2-OD1 2.93Å; H45-D61 IonicContact NE2-OD2 3.79Å; H45-S62 PolarHBondContact CD2-OG 2.95Å; H45-D63 IonicContact CD2-OD1 2.65Å; H45-D63 PolarHBondContact CD2-OD1 3.28Å; H45-D63 IonicContact CG-OD1 3.28Å; H45-D63 IonicContact NE2-OD1 3.34Å
46	F	98.7	Very high	96.2	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.018	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	119.1	172.5	179.8	-90.6	0	0	0	110.1	Y33 T34 A35 P44 A48 F60 S62 Q94 A95	Y33-F46 HydrophobicContact CD1-CZ 4.16Å; Y33-F46 HydrophobicContact CD2-CE2 4.48Å; Y33-F46 HydrophobicContact CD2-CZ 4.12Å; Y33-F46 HydrophobicContact CG-CE2 4.25Å; Y33-F46 AromaticContact CG-CZ 3.85Å; Y33-F46 HydrophobicContact CG-CZ 3.85Å; T34-F46 WeakPolarHBondContact O-CA 3.37Å; A35-F46 HydrophobicContact CB-CD2 4.21Å; P44-F46 PolarHBondContact O-N 3.41Å; F46-A48 HydrophobicContact CE1-CB 3.66Å; F46-A48 HydrophobicContact CZ-CB 3.98Å; F46-F60 AromaticContact CD1-CD1 3.81Å; F46-F60 HydrophobicContact CD1-CD1 3.81Å; F46-F60 AromaticContact CD1-CE1 3.85Å; F46-F60 HydrophobicContact CD1-CE1 3.85Å; F46-F60 HydrophobicContact CE1-CD1 4.05Å; F46-F60 HydrophobicContact CE1-CE1 4.37Å; F46-S62 PolarHBondContact N-OG 3.01Å; F46-S62 PolarHBondContact O-N 2.92Å; F46-S62 PolarHBondContact O-OG 3.33Å; F46-Q94 HydrophobicContact CE2-CB 4.25Å; F46-Q94 HydrophobicContact CE2-CG 3.63Å; F46-Q94 HydrophobicContact CZ-CB 3.93Å; F46-Q94 HydrophobicContact CZ-CG 3.61Å; F46-A95 HydrophobicContact CB-CB 3.72Å; F46-A95 HydrophobicContact CD1-CB 3.82Å; F46-A95 HydrophobicContact CD2-CB 4.09Å; F46-A95 HydrophobicContact CE1-CB 4.48Å; F46-A95 HydrophobicContact CG-CB 3.6Å
47	I	98.7	Very high	96.2	Very high	51 Å²	51	46.9 Å²	46.9	26%	0.262	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.2	171.7	-60.4	172.9	0	0	0	107.9	Y33 T34 V49	Y33-I47 WeakPolarHBondContact CA-O 3.32Å; T34-I47 PolarHBondContact N-O 3.07Å; T34-I47 PolarHBondContact O-N 2.78Å; I47-V49 HydrophobicContact CG2-CG1 4.42Å
48	A	98.8	Very high	96.2	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	138.1	170.7	0	0	0	0	0	110.3	F32 Y33 F46 R59 F60 Y91	F32-A48 WeakPolarHBondContact O-CA 3.29Å; Y33-A48 HydrophobicContact CD1-CB 3.26Å; Y33-A48 HydrophobicContact CE1-CB 3.41Å; Y33-A48 VanDerWaalsContact CE1-CB 3.41Å; Y33-A48 HydrophobicContact CG-CB 4.28Å; F46-A48 HydrophobicContact CE1-CB 3.66Å; F46-A48 HydrophobicContact CZ-CB 3.98Å; A48-R59 CarbonylContact O-C 3.55Å; A48-R59 WeakPolarHBondContact O-CA 3.32Å; A48-F60 HydrophobicContact CB-CB 4.24Å; A48-F60 PolarHBondContact N-O 2.54Å; A48-F60 PolarHBondContact O-N 3.09Å; A48-Y91 HydrophobicContact CB-CD1 3.7Å; A48-Y91 HydrophobicContact CB-CE1 3.85Å; A48-Y91 HydrophobicContact CB-CG 4.44Å
49	V	98.8	Very high	96.4	Very high	27 Å²	27	47.1 Å²	47.1	16%	0.164	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	148.7	172.3	-62	0	0	0	0	110.1	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.39Å; F32-V49 HydrophobicContact CB-CG2 3.86Å; F32-V49 HydrophobicContact CD2-CG2 4.36Å; F32-V49 PolarHBondContact N-O 3.44Å; F32-V49 PolarHBondContact O-N 2.84Å; I47-V49 HydrophobicContact CG2-CG1 4.42Å; V49-Y51 HydrophobicContact CB-CE2 4.15Å; V49-Y51 HydrophobicContact CG2-CD2 4.33Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.28Å; V49-V58 WeakPolarHBondContact CA-O 3.33Å; V49-R59 HydrophobicContact CG1-CG 4.35Å
50	G	98.7	Very high	96.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	138.5	176.2	0	0	0	0	0	110.9	R30 F57 V58	R30-G50 WeakPolarHBondContact O-CA 3.45Å; G50-F57 VanDerWaalsContact C-CD1 3.41Å; G50-F57 WeakPolarHBondContact O-CD1 3.34Å; G50-F57 PolarHBondContact O-N 2.88Å; G50-V58 PolarHBondContact N-O 2.95Å; G50-V58 PolarHBondContact O-N 3.44Å
51	Y	98.7	Very high	97.1	Very high	74 Å²	74	41.6 Å²	41.6	29%	0.29	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	143.2	-176.2	-78.1	-105.5	0	0	0	110.3	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.27Å; R30-Y51 PolarHBondContact N-O 2.84Å; R30-Y51 PolarHBondContact O-N 2.83Å; F32-Y51 HydrophobicContact CD2-CD2 4.16Å; F32-Y51 HydrophobicContact CE2-CD2 4.2Å; V49-Y51 HydrophobicContact CB-CE2 4.15Å; V49-Y51 HydrophobicContact CG2-CD2 4.33Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; Y51-T55 WeakPolarHBondContact CA-O 3.14Å; Y51-Q56 HydrophobicContact CD1-CB 4.09Å; Y51-Q56 HydrophobicContact CD2-CB 4.43Å; Y51-Q56 HydrophobicContact CD2-CG 4.24Å; Y51-Q56 HydrophobicContact CE1-CB 3.66Å; Y51-Q56 HydrophobicContact CE1-CG 4.38Å; Y51-Q56 HydrophobicContact CE2-CB 4.02Å; Y51-Q56 HydrophobicContact CE2-CG 3.81Å; Y51-Q56 HydrophobicContact CG-CB 4.45Å
52	V	98.4	Very high	97.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	118.1	157.5	174.2	0	0	0	0	105.7	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 VanDerWaalsContact O-CA 3.32Å; S28-V52 WeakPolarHBondContact O-CA 3.45Å; M29-V52 HydrophobicContact CB-CG2 4.45Å; M29-V52 HydrophobicContact CG-CG2 4.3Å; V52-D54 PolarHBondContact O-N 2.85Å; V52-T55 PolarHBondContact N-O 2.78Å; V52-T55 WeakPolarHBondContact O-CB 3.4Å; V52-T55 PolarHBondContact O-N 3.11Å; V52-F57 HydrophobicContact CG2-CD1 3.93Å; V52-F57 HydrophobicContact CG2-CE1 3.94Å; V52-W75 HydrophobicContact CB-CH2 4.21Å; V52-W75 HydrophobicContact CB-CZ2 4.33Å; V52-W75 HydrophobicContact CG2-CH2 3.83Å; V52-W75 HydrophobicContact CG2-CZ2 4.44Å; V52-L192 HydrophobicContact CG1-CD1 3.59Å; V52-L192 HydrophobicContact CG2-CD1 4.23Å; V52-Y195 HydrophobicContact CG2-CD2 3.75Å; V52-Y195 HydrophobicContact CG2-CG 4.32Å; V52-L196 HydrophobicContact CG1-CD2 4.01Å; V52-L203 HydrophobicContact CB-CD1 4.36Å; V52-L203 HydrophobicContact CB-CD2 4.26Å; V52-L203 HydrophobicContact CG1-CD1 3.89Å; V52-L203 HydrophobicContact CG1-CD2 4.11Å
53	D	96.3	Very high	97.8	Very high	30 Å²	30	34.2 Å²	34.2	16%	0.16	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	-133.3	-165.4	-50.7	-45.1	0	0	0	110.1	H27 S28 T55	H27-D53 WeakPolarHBondContact CA-OD1 3.44Å; H27-D53 IonicContact CE1-OD2 2.65Å; H27-D53 IonicContact CG-OD2 2.68Å; H27-D53 IonicContact ND1-OD1 2.8Å; H27-D53 IonicContact ND1-OD2 3.63Å; H27-D53 PolarHBondContact ND1-OD2 2.9Å; S28-D53 PolarHBondContact N-OD1 3.23Å; S28-D53 PolarHBondContact O-N 2.71Å; S28-D53 PolarHBondContact OG-OD1 2.83Å; D53-T55 PolarHBondContact O-N 2.94Å
54	D	95.9	Very high	98	Very high	60 Å²	60	31.6 Å²	31.6	32%	0.321	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	0.2	177.9	-61.2	-63.9	0	0	0	114.3	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.85Å; D54-Y233 HydrophobicContact CB-CE2 4.01Å; D54-P234 VanDerWaalsContact OD2-CB 3.31Å; D54-P234 WeakPolarHBondContact OD2-CB 3.46Å; D54-A235 HydrophobicContact CB-CB 4.22Å; D54-A235 WeakPolarHBondContact OD1-CB 3.38Å; D54-A235 WeakPolarHBondContact OD2-CB 3.36Å; D54-A235 PolarHBondContact OD2-N 3.34Å; D54-F265 HydrophobicContact CB-CE2 3.71Å; D54-F265 HydrophobicContact CB-CZ 3.76Å
55	T	96.8	Very high	98	Very high	26 Å²	26	36 Å²	36	16%	0.16	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	111.7	-175.7	-63.9	0	0	0	0	111.9	Y51 V52 D53 F57 A73 W75 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.14Å; V52-T55 PolarHBondContact N-O 2.78Å; V52-T55 WeakPolarHBondContact O-CB 3.4Å; V52-T55 PolarHBondContact O-N 3.11Å; D53-T55 PolarHBondContact O-N 2.94Å; T55-F57 PolarHBondContact O-N 2.92Å; T55-A73 HydrophobicContact CG2-CB 4.25Å; T55-W75 HydrophobicContact CG2-CZ2 4.37Å; T55-L203 HydrophobicContact CG2-CD2 4.01Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.3Å; T55-Y233 PolarHBondContact OG1-OH 2.84Å
56	Q	97.6	Very high	97.8	Very high	53 Å²	53	37.9 Å²	37.9	25%	0.248	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	125.4	171.3	-166.6	-175	1.6	0	0	110.5	V49 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.28Å; Y51-Q56 HydrophobicContact CD1-CB 4.09Å; Y51-Q56 HydrophobicContact CD2-CB 4.43Å; Y51-Q56 HydrophobicContact CD2-CG 4.24Å; Y51-Q56 HydrophobicContact CE1-CB 3.66Å; Y51-Q56 HydrophobicContact CE1-CG 4.38Å; Y51-Q56 HydrophobicContact CE2-CB 4.02Å; Y51-Q56 HydrophobicContact CE2-CG 3.81Å; Y51-Q56 HydrophobicContact CG-CB 4.45Å; Q56-V58 PolarHBondContact NE2-O 2.91Å; Q56-R72 HydrophobicContact CG-CB 4.16Å; Q56-R72 HydrophobicContact CG-CG 4.44Å; Q56-R72 CarbonylContact O-C 3.58Å
57	F	98.1	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	-113.9	-20.4	178.5	75.4	-88.7	0	0	0	114.3	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.36Å; M29-F57 HydrophobicContact SD-CZ 4.31Å; Y31-F57 HydrophobicContact CE1-CZ 4.11Å; Y31-F57 AromaticContact CZ-CZ 3.86Å; G50-F57 VanDerWaalsContact C-CD1 3.41Å; G50-F57 WeakPolarHBondContact O-CD1 3.34Å; G50-F57 PolarHBondContact O-N 2.88Å; V52-F57 HydrophobicContact CG2-CD1 3.93Å; V52-F57 HydrophobicContact CG2-CE1 3.94Å; T55-F57 PolarHBondContact O-N 2.92Å; F57-R72 PolarHBondContact O-N 2.93Å; F57-A73 HydrophobicContact CB-CB 4.2Å; F57-W75 HydrophobicContact CB-CH2 3.17Å; F57-W75 HydrophobicContact CB-CZ2 3.48Å; F57-W75 VanDerWaalsContact CB-CZ2 3.48Å; F57-W75 HydrophobicContact CB-CZ3 3.86Å; F57-W75 AromaticContact CD1-CH2 3.94Å; F57-W75 HydrophobicContact CD1-CH2 3.94Å; F57-W75 HydrophobicContact CD2-CH2 4.07Å; F57-W75 HydrophobicContact CD2-CZ3 4.23Å; F57-W75 AromaticContact CG-CH2 3.5Å; F57-W75 HydrophobicContact CG-CH2 3.5Å; F57-W75 VanDerWaalsContact CG-CH2 3.5Å; F57-W75 HydrophobicContact CG-CZ2 4.25Å; F57-W75 HydrophobicContact CG-CZ3 4.1Å; F57-V76 HydrophobicContact CB-CG1 4.37Å; F57-V76 HydrophobicContact CD2-CB 4.46Å; F57-V76 HydrophobicContact CD2-CG1 4.39Å; F57-V76 HydrophobicContact CD2-CG2 4.21Å; F57-V76 VanDerWaalsContact O-CG1 3.29Å; F57-V76 WeakPolarHBondContact O-CG1 3.42Å; F57-Y195 HydrophobicContact CD2-CE2 4.44Å; F57-Y195 HydrophobicContact CE1-CE2 4.39Å; F57-Y195 HydrophobicContact CE2-CD2 4.38Å; F57-Y195 AromaticContact CE2-CE2 3.66Å; F57-Y195 HydrophobicContact CE2-CE2 3.66Å; F57-Y195 AromaticContact CE2-CZ 3.84Å; F57-Y195 HydrophobicContact CZ-CD2 4.26Å; F57-Y195 AromaticContact CZ-CE2 3.63Å; F57-Y195 HydrophobicContact CZ-CE2 3.63Å
58	V	98.4	Very high	97.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	148.4	-179.2	63.2	0	0	0	0	112.9	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG1 4.11Å; V49-V58 WeakPolarHBondContact CA-O 3.33Å; G50-V58 PolarHBondContact N-O 2.95Å; G50-V58 PolarHBondContact O-N 3.44Å; Q56-V58 PolarHBondContact NE2-O 2.91Å; V58-E70 WeakPolarHBondContact CA-O 3.26Å; V58-W84 HydrophobicContact CG2-CZ3 4.1Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.11Å; V58-Y91 HydrophobicContact CG2-CE2 4.2Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.35Å
59	R	98.4	Very high	97.7	Very high	87 Å²	87	44.1 Å²	44.1	33%	0.328	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	150.1	166.2	-178.3	173	174.7	148.2	-3	110.4	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.55Å; A48-R59 WeakPolarHBondContact O-CA 3.32Å; V49-R59 HydrophobicContact CG1-CG 4.35Å; R59-D61 IonicContact CZ-OD2 3.13Å; R59-D61 IonicContact NE-OD2 2.72Å; R59-D61 IonicContact NH2-OD2 2.99Å; R59-D61 PolarHBondContact NH2-OD2 3.08Å; R59-E70 PolarHBondContact N-O 3.02Å; R59-E70 PolarHBondContact O-N 2.85Å; R59-R72 HydrophobicContact CB-CG 4.03Å
60	F	98.8	Very high	97.6	Very high	3 Å²	3	45.3 Å²	45.3	1%	0.013	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	146.2	159.1	172.6	-77.2	0	0	0	108.4	F46 A48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.81Å; F46-F60 HydrophobicContact CD1-CD1 3.81Å; F46-F60 AromaticContact CD1-CE1 3.85Å; F46-F60 HydrophobicContact CD1-CE1 3.85Å; F46-F60 HydrophobicContact CE1-CD1 4.05Å; F46-F60 HydrophobicContact CE1-CE1 4.37Å; A48-F60 HydrophobicContact CB-CB 4.24Å; A48-F60 PolarHBondContact N-O 2.54Å; A48-F60 PolarHBondContact O-N 3.09Å; F60-P67 HydrophobicContact CE1-CB 4.49Å; F60-P67 HydrophobicContact CE2-CB 3.9Å; F60-P67 HydrophobicContact CZ-CB 3.66Å; F60-R68 VanDerWaalsContact CD2-C 3.41Å; F60-R68 WeakPolarHBondContact CD2-O 3.34Å; F60-Y91 HydrophobicContact CB-CD1 4.37Å; F60-Y91 HydrophobicContact CB-CD2 3.47Å; F60-Y91 VanDerWaalsContact CB-CD2 3.47Å; F60-Y91 HydrophobicContact CB-CE2 3.95Å; F60-Y91 HydrophobicContact CB-CG 3.71Å; F60-Y91 HydrophobicContact CD1-CG 4.42Å; F60-Y91 AromaticContact CD2-CD2 3.67Å; F60-Y91 HydrophobicContact CD2-CD2 3.67Å; F60-Y91 AromaticContact CD2-CG 3.94Å; F60-Y91 HydrophobicContact CD2-CG 3.94Å; F60-Y91 AromaticContact CG-CD2 3.76Å; F60-Y91 HydrophobicContact CG-CD2 3.76Å; F60-Y91 AromaticContact CG-CG 3.78Å; F60-Y91 HydrophobicContact CG-CG 3.78Å; F60-K92 HydrophobicContact CE2-CG 4.02Å; F60-K92 HydrophobicContact CZ-CG 3.9Å
61	D	98.6	Very high	97.6	Very high	24 Å²	24	47.6 Å²	47.6	13%	0.128	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	123.3	179.6	-160.2	-45.5	0	0	0	109.4	H45 R59 D63 A64	H45-D61 IonicContact CD2-OD1 3.45Å; H45-D61 IonicContact CE1-OD1 3.45Å; H45-D61 IonicContact NE2-OD1 3.32Å; H45-D61 PolarHBondContact NE2-OD1 2.93Å; H45-D61 IonicContact NE2-OD2 3.79Å; R59-D61 IonicContact CZ-OD2 3.13Å; R59-D61 IonicContact NE-OD2 2.72Å; R59-D61 IonicContact NH2-OD2 2.99Å; R59-D61 PolarHBondContact NH2-OD2 3.08Å; D61-D63 PolarHBondContact O-N 2.88Å; D61-D63 PolarHBondContact OD1-N 2.97Å; D61-D63 VanDerWaalsContact OD1-N 3.15Å; D61-A64 HydrophobicContact CB-CB 4.35Å; D61-A64 PolarHBondContact O-N 3.43Å
62	S	98.2	Very high	97.5	Very high	35 Å²	35	49.9 Å²	49.9	25%	0.245	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-21.7	-178.1	65.7	0	0	0	0	114	H45 F46 P67	H45-S62 PolarHBondContact CD2-OG 2.95Å; F46-S62 PolarHBondContact N-OG 3.01Å; F46-S62 PolarHBondContact O-N 2.92Å; F46-S62 PolarHBondContact O-OG 3.33Å; S62-P67 WeakPolarHBondContact O-CG 3.2Å
63	D	97.2	Very high	97.4	Very high	84 Å²	84	50.2 Å²	50.2	45%	0.449	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-3.3	-174.2	-77.4	37.7	0	0	0	112.5	R38 H45 D61	R38-D63 IonicContact CZ-OD1 3.13Å; R38-D63 IonicContact CZ-OD2 2.76Å; R38-D63 IonicContact NH1-OD1 2.76Å; R38-D63 IonicContact NH1-OD2 3.33Å; R38-D63 PolarHBondContact NH1-OD2 2.8Å; R38-D63 IonicContact NH2-OD1 3.33Å; R38-D63 PolarHBondContact NH2-OD1 3.31Å; R38-D63 IonicContact NH2-OD2 2.68Å; R38-D63 PolarHBondContact NH2-OD2 3.01Å; H45-D63 IonicContact CD2-OD1 2.65Å; H45-D63 PolarHBondContact CD2-OD1 3.28Å; H45-D63 IonicContact CG-OD1 3.28Å; H45-D63 IonicContact NE2-OD1 3.34Å; D61-D63 PolarHBondContact O-N 2.88Å; D61-D63 PolarHBondContact OD1-N 2.97Å; D61-D63 VanDerWaalsContact OD1-N 3.15Å
64	A	97.3	Very high	97.4	Very high	37 Å²	37	53.4 Å²	53.4	31%	0.306	30%	0.299	S	S	.	.	S	Bend	trans	-61.7	146.5	170.6	0	0	0	0	0	111.1	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.35Å; D61-A64 PolarHBondContact O-N 3.43Å; A64-S66 PolarHBondContact O-N 3.24Å; A64-P67 WeakPolarHBondContact O-CD 3.32Å; A64-P67 VanDerWaalsContact O-CG 3.31Å; A64-P67 WeakPolarHBondContact O-CG 3.38Å
65	A	96.8	Very high	97.4	Very high	117 Å²	117	51.3 Å²	51.3	97%	0.967	29%	0.286	S	S	*	.	S	Bend	trans	-60.3	-19	-179	0	0	0	0	0	114.4
66	S	95.9	Very high	97.4	Very high	84 Å²	84	50 Å²	50	59%	0.587	28%	0.279	S	S	*	.	S	Bend	trans	-142.9	91	167.5	-173.3	0	0	0	0	109.1	A64 R68	A64-S66 PolarHBondContact O-N 3.24Å; S66-R68 PolarHBondContact O-N 3.06Å; S66-R68 VanDerWaalsContact O-N 3.15Å
67	P	97.1	Very high	97.3	Very high	34 Å²	34	53.4 Å²	53.4	22%	0.221	29%	0.294	C	S	.	.			trans	-64.5	115.8	-174	-25.4	36.6	0	0	0	111.7	F60 S62 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.49Å; F60-P67 HydrophobicContact CE2-CB 3.9Å; F60-P67 HydrophobicContact CZ-CB 3.66Å; S62-P67 WeakPolarHBondContact O-CG 3.2Å; A64-P67 WeakPolarHBondContact O-CD 3.32Å; A64-P67 VanDerWaalsContact O-CG 3.31Å; A64-P67 WeakPolarHBondContact O-CG 3.38Å; P67-K92 WeakPolarHBondContact O-CE 3.24Å; P67-K92 PolarHBondContact O-NZ 2.91Å
68	R	97.7	Very high	97.1	Very high	147 Å²	147	59.5 Å²	59.5	56%	0.555	32%	0.323	S	S	*	.			trans	-149.2	163.4	178.7	63.4	-177.9	176.3	172.4	0.4	110.3	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.41Å; F60-R68 WeakPolarHBondContact CD2-O 3.34Å; S66-R68 PolarHBondContact O-N 3.06Å; S66-R68 VanDerWaalsContact O-N 3.15Å; R68-E70 HydrophobicContact CG-CG 4.14Å; R68-T88 HydrophobicContact CB-CG2 4.26Å
69	G	97.4	Very high	97	Very high	5 Å²	5	60 Å²	60	5%	0.052	33%	0.326	C	S	.	.			trans	-67.1	133	165	0	0	0	0	0	109.5	T88	G69-T88 PolarHBondContact N-OG1 3.43Å
70	E	97.6	Very high	96.9	Very high	52 Å²	52	57.6 Å²	57.6	24%	0.243	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	134.8	-178.8	-60.8	-175.3	142.1	0	0	110.2	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.26Å; R59-E70 PolarHBondContact N-O 3.02Å; R59-E70 PolarHBondContact O-N 2.85Å; R68-E70 HydrophobicContact CG-CG 4.14Å; E70-R72 IonicContact OE2-CZ 2.85Å; E70-R72 IonicContact OE2-NH2 3.67Å; E70-R72 PolarHBondContact OE2-NH2 3.24Å
71	P	97.9	Very high	96.8	Very high	48 Å²	48	62.1 Å²	62.1	31%	0.312	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	148.1	173.4	28.4	-34.8	0	0	0	111.3	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.89Å; P71-E77 HydrophobicContact CB-CG 3.63Å; P71-E77 HydrophobicContact CG-CG 3.89Å; P71-W84 HydrophobicContact CB-CH2 3.7Å; P71-W84 HydrophobicContact CB-CZ2 3.89Å; P71-W84 HydrophobicContact CG-CH2 4.3Å; P71-W84 HydrophobicContact CG-CZ2 4.33Å
72	R	97.4	Very high	96.7	Very high	122 Å²	122	69 Å²	69	46%	0.46	39%	0.388	S	S	.	.	S	Bend	trans	-131.8	-2.8	174.5	-59.8	-66.4	164.9	173.8	-5.1	113.5	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.16Å; Q56-R72 HydrophobicContact CG-CG 4.44Å; Q56-R72 CarbonylContact O-C 3.58Å; F57-R72 PolarHBondContact O-N 2.93Å; R59-R72 HydrophobicContact CB-CG 4.03Å; E70-R72 IonicContact OE2-CZ 2.85Å; E70-R72 IonicContact OE2-NH2 3.67Å; E70-R72 PolarHBondContact OE2-NH2 3.24Å
73	A	96.1	Very high	96.7	Very high	6 Å²	6	67.6 Å²	67.6	5%	0.05	38%	0.378	C	S	.	.	S	Bend	trans	-137.1	142.2	170.4	0	0	0	0	0	110.6	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.25Å; F57-A73 HydrophobicContact CB-CB 4.2Å; A73-W75 VanDerWaalsContact C-N 3.26Å; A73-W75 HydrophobicContact CB-CD2 4.24Å; A73-W75 HydrophobicContact CB-CG 4.41Å; A73-W75 HydrophobicContact CB-CZ2 4.1Å; A73-W75 PolarHBondContact O-N 2.87Å; A73-W75 VanDerWaalsContact O-N 3.17Å; A73-V76 WeakPolarHBondContact O-CG1 3.44Å; A73-V76 PolarHBondContact O-N 3.01Å
74	P	96	Very high	96.7	Very high	98 Å²	98	65.6 Å²	65.6	64%	0.636	36%	0.364	S	S	*	.	H	α-helix	trans	-58.5	-33.7	-174.5	-27.3	35.5	0	0	0	114.5	V76 E77	P74-V76 PolarHBondContact O-N 3.04Å; P74-V76 VanDerWaalsContact O-N 3.16Å; P74-E77 WeakPolarHBondContact O-CB 3.49Å; P74-E77 PolarHBondContact O-N 2.81Å
75	W	95.8	Very high	96.7	Very high	15 Å²	15	68.9 Å²	68.9	6%	0.057	38%	0.376	C	S	.	.	H	α-helix	trans	-70.1	-9.2	-176.1	54.6	-107.8	0	0	0	115.2	V52 T55 F57 A73 Q78 Y195 N198 T202 L203	V52-W75 HydrophobicContact CB-CH2 4.21Å; V52-W75 HydrophobicContact CB-CZ2 4.33Å; V52-W75 HydrophobicContact CG2-CH2 3.83Å; V52-W75 HydrophobicContact CG2-CZ2 4.44Å; T55-W75 HydrophobicContact CG2-CZ2 4.37Å; F57-W75 HydrophobicContact CB-CH2 3.17Å; F57-W75 HydrophobicContact CB-CZ2 3.48Å; F57-W75 VanDerWaalsContact CB-CZ2 3.48Å; F57-W75 HydrophobicContact CB-CZ3 3.86Å; F57-W75 AromaticContact CD1-CH2 3.94Å; F57-W75 HydrophobicContact CD1-CH2 3.94Å; F57-W75 HydrophobicContact CD2-CH2 4.07Å; F57-W75 HydrophobicContact CD2-CZ3 4.23Å; F57-W75 AromaticContact CG-CH2 3.5Å; F57-W75 HydrophobicContact CG-CH2 3.5Å; F57-W75 VanDerWaalsContact CG-CH2 3.5Å; F57-W75 HydrophobicContact CG-CZ2 4.25Å; F57-W75 HydrophobicContact CG-CZ3 4.1Å; A73-W75 VanDerWaalsContact C-N 3.26Å; A73-W75 HydrophobicContact CB-CD2 4.24Å; A73-W75 HydrophobicContact CB-CG 4.41Å; A73-W75 HydrophobicContact CB-CZ2 4.1Å; A73-W75 PolarHBondContact O-N 2.87Å; A73-W75 VanDerWaalsContact O-N 3.17Å; W75-Q78 WeakPolarHBondContact O-CG 3.26Å; W75-Y195 HydrophobicContact CE3-CD1 4.23Å; W75-Y195 HydrophobicContact CE3-CG 4.39Å; W75-Y195 HydrophobicContact CH2-CD2 4.4Å; W75-Y195 HydrophobicContact CH2-CG 4.04Å; W75-Y195 VanDerWaalsContact CZ3-CB 3.49Å; W75-Y195 AromaticContact CZ3-CD1 3.58Å; W75-Y195 HydrophobicContact CZ3-CD1 3.58Å; W75-Y195 HydrophobicContact CZ3-CD2 4.19Å; W75-Y195 HydrophobicContact CZ3-CE1 4.35Å; W75-Y195 AromaticContact CZ3-CG 3.49Å; W75-Y195 HydrophobicContact CZ3-CG 3.49Å; W75-Y195 VanDerWaalsContact CZ3-CG 3.49Å; W75-N198 HydrophobicContact CB-CB 4.27Å; W75-T202 PolarHBondContact NE1-OG1 3.16Å; W75-L203 HydrophobicContact CD2-CD1 4.37Å; W75-L203 HydrophobicContact CH2-CD1 4.31Å; W75-L203 HydrophobicContact CZ2-CD1 3.74Å; W75-L203 HydrophobicContact CZ2-CD2 4.02Å; W75-L203 HydrophobicContact CZ2-CG 4.3Å
76	V	97.1	Very high	96.7	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-101	-13.6	170	77.2	0	0	0	0	112.6	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.37Å; F57-V76 HydrophobicContact CD2-CB 4.46Å; F57-V76 HydrophobicContact CD2-CG1 4.39Å; F57-V76 HydrophobicContact CD2-CG2 4.21Å; F57-V76 VanDerWaalsContact O-CG1 3.29Å; F57-V76 WeakPolarHBondContact O-CG1 3.42Å; P71-V76 HydrophobicContact CB-CG1 3.89Å; A73-V76 WeakPolarHBondContact O-CG1 3.44Å; A73-V76 PolarHBondContact O-N 3.01Å; P74-V76 PolarHBondContact O-N 3.04Å; P74-V76 VanDerWaalsContact O-N 3.16Å; V76-Q78 PolarHBondContact O-N 2.02Å; V76-E79 HydrophobicContact CG2-CB 4.38Å; V76-E79 HydrophobicContact CG2-CG 3.73Å; V76-E79 VanDerWaalsContact O-CB 3.3Å; V76-E79 WeakPolarHBondContact O-CB 3.46Å; V76-E79 WeakPolarHBondContact O-CG 3.42Å; V76-E79 PolarHBondContact O-N 3.25Å; V76-Y83 HydrophobicContact CG2-CE1 4.03Å; V76-W84 HydrophobicContact CG1-CH2 3.92Å; V76-W84 HydrophobicContact CG1-CZ2 4.09Å; V76-W84 HydrophobicContact CG2-CH2 4.13Å; V76-W84 HydrophobicContact CG2-CZ2 4.04Å; V76-W84 WeakPolarHBondContact O-CZ2 3.29Å; V76-Y195 HydrophobicContact CG2-CE1 4.23Å
77	E	95.4	Very high	96.8	Very high	123 Å²	123	64.2 Å²	64.2	58%	0.575	32%	0.321	S	S	*	.	H	α-helix	trans	-63	-25.8	177.9	-64	-178.7	-169.4	0	0	112.7	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.63Å; P71-E77 HydrophobicContact CG-CG 3.89Å; P74-E77 WeakPolarHBondContact O-CB 3.49Å; P74-E77 PolarHBondContact O-N 2.81Å; E77-E79 PolarHBondContact O-N 2.85Å
78	Q	94.1	Very high	96.9	Very high	128 Å²	128	63 Å²	63	60%	0.598	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-5.5	173.2	65.5	174.6	20.8	0	0	114.7	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.26Å; V76-Q78 PolarHBondContact O-N 2.02Å; Q78-N198 PolarHBondContact NE2-ND2 2.88Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.11Å; Q78-N198 PolarHBondContact NE2-OD1 2.87Å
79	E	96.5	Very high	96.9	Very high	12 Å²	12	60.9 Å²	60.9	6%	0.056	31%	0.309	C	S	.	.	S	Bend	trans	-73.1	133.2	174.2	-66.4	-61.9	158.1	0	0	111.1	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CB 4.38Å; V76-E79 HydrophobicContact CG2-CG 3.73Å; V76-E79 VanDerWaalsContact O-CB 3.3Å; V76-E79 WeakPolarHBondContact O-CB 3.46Å; V76-E79 WeakPolarHBondContact O-CG 3.42Å; V76-E79 PolarHBondContact O-N 3.25Å; E77-E79 PolarHBondContact O-N 2.85Å; 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 4.05Å; E79-Y83 HydrophobicContact CB-CG 3.75Å; E79-Y83 HydrophobicContact CG-CD1 4.18Å; E79-Y83 HydrophobicContact CG-CE1 4.35Å; E79-Y83 HydrophobicContact CG-CG 4.28Å; E79-W84 VanDerWaalsContact O-CD1 3.23Å; E79-W84 PolarHBondContact O-NE1 2.94Å; E79-R194 VanDerWaalsContact CD-NH2 3.3Å; E79-R194 IonicContact OE1-CZ 3.16Å; E79-R194 IonicContact OE1-NE 2.76Å; E79-R194 PolarHBondContact OE1-NE 2.84Å; E79-R194 IonicContact OE1-NH2 2.95Å; E79-R194 PolarHBondContact OE1-NH2 2.98Å; E79-R194 VanDerWaalsContact OE1-NH2 3.13Å; E79-R194 IonicContact OE2-CZ 3.52Å; E79-R194 IonicContact OE2-NE 2.7Å; E79-R194 PolarHBondContact OE2-NE 2.86Å; E79-R194 IonicContact OE2-NH2 2.67Å; E79-R194 PolarHBondContact OE2-NH2 2.81Å; E79-N198 PolarHBondContact OE1-ND2 2.89Å; E79-N198 VanDerWaalsContact OE1-ND2 3.13Å
80	G	95.6	Very high	96.9	Very high	36 Å²	36	63.6 Å²	63.6	37%	0.371	32%	0.32	S	S	.	.			trans	-69.5	169.4	-171.6	0	0	0	0	0	115	E82 Y83 W84	G80-E82 VanDerWaalsContact C-N 3.27Å; G80-E82 PolarHBondContact O-N 2.86Å; G80-Y83 WeakPolarHBondContact O-CB 3.35Å; G80-Y83 PolarHBondContact O-N 3.27Å; G80-W84 PolarHBondContact O-N 2.72Å
81	P	96.6	Very high	96.9	Very high	97 Å²	97	61.1 Å²	61.1	63%	0.63	31%	0.308	S	S	*	.	H	α-helix	trans	-57.1	-37.5	-176.7	22.5	-33.4	0	0	0	113.1	Y83 W84 D85	P81-Y83 PolarHBondContact O-N 2.85Å; P81-W84 PolarHBondContact O-N 2.81Å; P81-W84 VanDerWaalsContact O-N 3.09Å; P81-D85 PolarHBondContact O-N 2.84Å
82	E	97.3	Very high	96.9	Very high	168 Å²	168	62.7 Å²	62.7	79%	0.785	31%	0.31	S	S	*	.	H	α-helix	trans	-58.2	-33.5	176.6	-61.3	-178.4	178.7	0	0	113.4	G80 R86	G80-E82 VanDerWaalsContact C-N 3.27Å; G80-E82 PolarHBondContact O-N 2.86Å; E82-R86 WeakPolarHBondContact O-CB 3.39Å; E82-R86 PolarHBondContact O-N 3.19Å; E82-R86 VanDerWaalsContact O-N 3.12Å
83	Y	97.3	Very high	97	Very high	7 Å²	7	64.4 Å²	64.4	3%	0.027	32%	0.317	C	S	.	.	H	α-helix	trans	-67.1	-53.4	173.1	166.7	-90.3	0	0	0	109.8	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.03Å; 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 4.05Å; E79-Y83 HydrophobicContact CB-CG 3.75Å; E79-Y83 HydrophobicContact CG-CD1 4.18Å; E79-Y83 HydrophobicContact CG-CE1 4.35Å; E79-Y83 HydrophobicContact CG-CG 4.28Å; G80-Y83 WeakPolarHBondContact O-CB 3.35Å; G80-Y83 PolarHBondContact O-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.85Å; Y83-D85 PolarHBondContact O-N 3.15Å; Y83-R86 VanDerWaalsContact CD2-NH2 3.33Å; Y83-R86 PolarHBondContact O-N 2.71Å; Y83-R86 VanDerWaalsContact O-N 3.16Å; Y83-E87 HydrophobicContact CD1-CG 4.4Å; Y83-E87 HydrophobicContact CD2-CG 4.06Å; Y83-E87 HydrophobicContact CE1-CG 4.06Å; Y83-E87 HydrophobicContact CE2-CG 3.66Å; Y83-E87 HydrophobicContact CG-CG 4.38Å; Y83-E87 WeakPolarHBondContact O-CG 3.44Å; Y83-E87 PolarHBondContact O-N 2.86Å; Y83-W191 HydrophobicContact CD2-CE3 4.49Å; Y83-W191 AromaticContact CD2-CH2 3.7Å; Y83-W191 HydrophobicContact CD2-CH2 3.7Å; Y83-W191 HydrophobicContact CD2-CZ2 4.45Å; Y83-W191 AromaticContact CD2-CZ3 3.71Å; Y83-W191 HydrophobicContact CD2-CZ3 3.71Å; Y83-W191 HydrophobicContact CE2-CE3 4.19Å; Y83-W191 HydrophobicContact CE2-CH2 4.21Å; Y83-W191 AromaticContact CE2-CZ3 3.82Å; Y83-W191 HydrophobicContact CE2-CZ3 3.82Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.28Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.37Å; Y83-Y195 PolarHBondContact OH-OH 2.97Å
84	W	97.9	Very high	97.1	Very high	41 Å²	41	65.2 Å²	65.2	16%	0.155	32%	0.32	C	S	.	.	H	α-helix	trans	-63.1	-37.9	-177.1	-67.5	108.6	0	0	0	113.4	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 4.1Å; P71-W84 HydrophobicContact CB-CH2 3.7Å; P71-W84 HydrophobicContact CB-CZ2 3.89Å; P71-W84 HydrophobicContact CG-CH2 4.3Å; P71-W84 HydrophobicContact CG-CZ2 4.33Å; V76-W84 HydrophobicContact CG1-CH2 3.92Å; V76-W84 HydrophobicContact CG1-CZ2 4.09Å; V76-W84 HydrophobicContact CG2-CH2 4.13Å; V76-W84 HydrophobicContact CG2-CZ2 4.04Å; V76-W84 WeakPolarHBondContact O-CZ2 3.29Å; E79-W84 VanDerWaalsContact O-CD1 3.23Å; E79-W84 PolarHBondContact O-NE1 2.94Å; G80-W84 PolarHBondContact O-N 2.72Å; P81-W84 PolarHBondContact O-N 2.81Å; P81-W84 VanDerWaalsContact O-N 3.09Å; W84-T88 WeakPolarHBondContact O-CB 3.4Å; W84-T88 PolarHBondContact O-N 3.46Å; W84-T88 PolarHBondContact O-OG1 2.93Å
85	D	97.9	Very high	97.2	Very high	106 Å²	106	61.4 Å²	61.4	57%	0.567	30%	0.296	S	S	*	.	H	α-helix	trans	-64.7	-48.1	172.4	-79.3	-34.2	0	0	0	111.2	P81 Y83 E87 T88 Q89	P81-D85 PolarHBondContact O-N 2.84Å; Y83-D85 PolarHBondContact O-N 3.15Å; D85-E87 PolarHBondContact O-N 2.92Å; D85-T88 WeakPolarHBondContact O-CB 3.46Å; D85-T88 PolarHBondContact O-N 2.94Å; D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.4Å; D85-Q89 PolarHBondContact O-N 3.4Å
86	R	97.1	Very high	97.3	Very high	99 Å²	99	65.4 Å²	65.4	37%	0.374	32%	0.316	S	S	.	.	H	α-helix	trans	-62.3	-44.4	180	-174.6	-171	69.2	-147.4	-1.3	112.4	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.39Å; E82-R86 PolarHBondContact O-N 3.19Å; E82-R86 VanDerWaalsContact O-N 3.12Å; Y83-R86 VanDerWaalsContact CD2-NH2 3.33Å; Y83-R86 PolarHBondContact O-N 2.71Å; Y83-R86 VanDerWaalsContact O-N 3.16Å; R86-Q89 PolarHBondContact O-N 2.99Å; R86-K90 PolarHBondContact O-N 3.31Å
87	E	97.2	Very high	97.3	Very high	4 Å²	4	68.6 Å²	68.6	2%	0.019	34%	0.335	C	S	.	.	H	α-helix	trans	-67.8	-40.9	176.4	-57.2	-42.3	115.9	0	0	111	Y83 D85 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.4Å; Y83-E87 HydrophobicContact CD2-CG 4.06Å; Y83-E87 HydrophobicContact CE1-CG 4.06Å; Y83-E87 HydrophobicContact CE2-CG 3.66Å; Y83-E87 HydrophobicContact CG-CG 4.38Å; Y83-E87 WeakPolarHBondContact O-CG 3.44Å; Y83-E87 PolarHBondContact O-N 2.86Å; D85-E87 PolarHBondContact O-N 2.92Å; E87-Q89 VanDerWaalsContact C-N 3.29Å; E87-Q89 PolarHBondContact O-N 2.97Å; E87-K90 WeakPolarHBondContact O-CB 3.15Å; E87-K90 PolarHBondContact O-N 3.46Å; E87-K90 IonicContact OE1-NZ 2.77Å; E87-K90 PolarHBondContact OE1-NZ 2.91Å; E87-K90 WeakPolarHBondContact OE2-CD 3.18Å; E87-K90 WeakPolarHBondContact OE2-CE 2.94Å; E87-K90 IonicContact OE2-NZ 3.73Å; E87-K90 PolarHBondContact OE2-NZ 2.93Å; E87-Y91 HydrophobicContact CB-CE2 4.03Å; E87-Y91 WeakPolarHBondContact O-CD2 3.49Å; E87-Y91 PolarHBondContact O-N 3.31Å
88	T	98.4	Very high	97.4	Very high	9 Å²	9	62.9 Å²	62.9	6%	0.055	31%	0.309	C	S	.	.	H	α-helix	trans	-55.9	-41.9	171.6	-65.4	0	0	0	0	112.4	R68 G69 W84 D85 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.26Å; G69-T88 PolarHBondContact N-OG1 3.43Å; W84-T88 WeakPolarHBondContact O-CB 3.4Å; W84-T88 PolarHBondContact O-N 3.46Å; W84-T88 PolarHBondContact O-OG1 2.93Å; D85-T88 WeakPolarHBondContact O-CB 3.46Å; D85-T88 PolarHBondContact O-N 2.94Å; T88-Y91 PolarHBondContact O-N 3.5Å; T88-K92 HydrophobicContact CG2-CD 3.93Å; T88-K92 WeakPolarHBondContact O-CB 3.16Å; T88-K92 WeakPolarHBondContact O-CG 3.11Å; T88-K92 PolarHBondContact O-N 3.36Å
89	Q	98.3	Very high	97.6	Very high	102 Å²	102	60.1 Å²	60.1	48%	0.477	29%	0.293	S	S	.	.	H	α-helix	trans	-76.3	-20.4	177.3	-63.7	-62.8	-7.9	0	0	113.5	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.4Å; D85-Q89 PolarHBondContact O-N 3.4Å; R86-Q89 PolarHBondContact O-N 2.99Å; E87-Q89 VanDerWaalsContact C-N 3.29Å; E87-Q89 PolarHBondContact O-N 2.97Å; Q89-R93 WeakPolarHBondContact O-CB 3.34Å; Q89-R93 VanDerWaalsContact O-CG 3.3Å; Q89-R93 WeakPolarHBondContact O-CG 3.36Å; Q89-R93 PolarHBondContact O-N 3.02Å; Q89-R93 PolarHBondContact O-NE 2.88Å
90	K	97.1	Very high	97.6	Very high	63 Å²	63	62.9 Å²	62.9	27%	0.274	31%	0.31	S	S	.	.	H	α-helix	trans	-69.6	-53.5	165.7	-73.7	167.7	177.6	172.5	0	110.2	R86 E87 K92 R93 Q94	R86-K90 PolarHBondContact O-N 3.31Å; E87-K90 WeakPolarHBondContact O-CB 3.15Å; E87-K90 PolarHBondContact O-N 3.46Å; E87-K90 IonicContact OE1-NZ 2.77Å; E87-K90 PolarHBondContact OE1-NZ 2.91Å; E87-K90 WeakPolarHBondContact OE2-CD 3.18Å; E87-K90 WeakPolarHBondContact OE2-CE 2.94Å; E87-K90 IonicContact OE2-NZ 3.73Å; E87-K90 PolarHBondContact OE2-NZ 2.93Å; K90-K92 PolarHBondContact O-N 3.36Å; K90-R93 PolarHBondContact O-N 3.4Å; K90-R93 VanDerWaalsContact O-N 3.14Å; K90-Q94 PolarHBondContact O-N 3.41Å
91	Y	98.4	Very high	97.7	Very high	0 Å²	0	63 Å²	63	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-59.3	-43.3	-179.4	-58.3	-48.1	0	0	0	112.2	Y33 A48 V58 F60 E87 T88 R93 Q94 A95	Y33-Y91 AromaticContact CE1-CD1 3.99Å; Y33-Y91 HydrophobicContact CE1-CD1 3.99Å; Y33-Y91 AromaticContact CE1-CE1 3.75Å; Y33-Y91 HydrophobicContact CE1-CE1 3.75Å; Y33-Y91 AromaticContact CZ-CE1 3.98Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.16Å; A48-Y91 HydrophobicContact CB-CD1 3.7Å; A48-Y91 HydrophobicContact CB-CE1 3.85Å; A48-Y91 HydrophobicContact CB-CG 4.44Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.11Å; V58-Y91 HydrophobicContact CG2-CE2 4.2Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.35Å; F60-Y91 HydrophobicContact CB-CD1 4.37Å; F60-Y91 HydrophobicContact CB-CD2 3.47Å; F60-Y91 VanDerWaalsContact CB-CD2 3.47Å; F60-Y91 HydrophobicContact CB-CE2 3.95Å; F60-Y91 HydrophobicContact CB-CG 3.71Å; F60-Y91 HydrophobicContact CD1-CG 4.42Å; F60-Y91 AromaticContact CD2-CD2 3.67Å; F60-Y91 HydrophobicContact CD2-CD2 3.67Å; F60-Y91 AromaticContact CD2-CG 3.94Å; F60-Y91 HydrophobicContact CD2-CG 3.94Å; F60-Y91 AromaticContact CG-CD2 3.76Å; F60-Y91 HydrophobicContact CG-CD2 3.76Å; F60-Y91 AromaticContact CG-CG 3.78Å; F60-Y91 HydrophobicContact CG-CG 3.78Å; E87-Y91 HydrophobicContact CB-CE2 4.03Å; E87-Y91 WeakPolarHBondContact O-CD2 3.49Å; E87-Y91 PolarHBondContact O-N 3.31Å; T88-Y91 PolarHBondContact O-N 3.5Å; Y91-R93 PolarHBondContact O-N 2.93Å; Y91-Q94 PolarHBondContact O-N 3.43Å; Y91-A95 WeakPolarHBondContact O-CB 3.32Å; Y91-A95 PolarHBondContact O-N 2.93Å
92	K	98.3	Very high	97.8	Very high	80 Å²	80	58.9 Å²	58.9	35%	0.348	28%	0.275	S	S	.	.	H	α-helix	trans	-63.5	-36.3	176.3	-75.4	175.2	-180	168.3	0	113.5	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.02Å; F60-K92 HydrophobicContact CZ-CG 3.9Å; P67-K92 WeakPolarHBondContact O-CE 3.24Å; P67-K92 PolarHBondContact O-NZ 2.91Å; T88-K92 HydrophobicContact CG2-CD 3.93Å; T88-K92 WeakPolarHBondContact O-CB 3.16Å; T88-K92 WeakPolarHBondContact O-CG 3.11Å; T88-K92 PolarHBondContact O-N 3.36Å; K90-K92 PolarHBondContact O-N 3.36Å; K92-Q96 PolarHBondContact O-N 3.31Å
93	R	98.2	Very high	97.7	Very high	158 Å²	158	56.8 Å²	56.8	60%	0.596	26%	0.26	S	S	*	.	H	α-helix	trans	-69.3	-46.8	173.2	-77	-178.2	-67	163.6	0.4	111.4	Q89 K90 Y91 A95 Q96 T97	Q89-R93 WeakPolarHBondContact O-CB 3.34Å; Q89-R93 VanDerWaalsContact O-CG 3.3Å; Q89-R93 WeakPolarHBondContact O-CG 3.36Å; Q89-R93 PolarHBondContact O-N 3.02Å; Q89-R93 PolarHBondContact O-NE 2.88Å; K90-R93 PolarHBondContact O-N 3.4Å; K90-R93 VanDerWaalsContact O-N 3.14Å; Y91-R93 PolarHBondContact O-N 2.93Å; R93-A95 VanDerWaalsContact C-N 3.32Å; R93-A95 PolarHBondContact O-N 3.35Å; R93-Q96 PolarHBondContact O-N 3Å; R93-Q96 VanDerWaalsContact O-N 3.08Å; R93-T97 PolarHBondContact O-N 3.5Å; R93-T97 PolarHBondContact O-OG1 3.4Å
94	Q	98.1	Very high	97.6	Very high	24 Å²	24	59.7 Å²	59.7	11%	0.112	28%	0.276	C	S	.	.	H	α-helix	trans	-57.9	-43.1	177.3	-174.3	69.3	45.1	0	0	111.9	Y33 F46 K90 Y91 Q96 T97 D98 R121	Y33-Q94 HydrophobicContact CD2-CG 3.55Å; Y33-Q94 HydrophobicContact CE2-CB 4.37Å; Y33-Q94 HydrophobicContact CE2-CG 3.69Å; Y33-Q94 HydrophobicContact CG-CG 4.48Å; F46-Q94 HydrophobicContact CE2-CB 4.25Å; F46-Q94 HydrophobicContact CE2-CG 3.63Å; F46-Q94 HydrophobicContact CZ-CB 3.93Å; F46-Q94 HydrophobicContact CZ-CG 3.61Å; K90-Q94 PolarHBondContact O-N 3.41Å; Y91-Q94 PolarHBondContact O-N 3.43Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 2.93Å; Q94-T97 CarbonylContact O-C 3.58Å; Q94-T97 WeakPolarHBondContact O-CA 3.47Å; Q94-T97 WeakPolarHBondContact O-CB 3.44Å; Q94-T97 PolarHBondContact O-N 3.37Å; Q94-T97 VanDerWaalsContact O-N 3.07Å; Q94-D98 WeakPolarHBondContact CG-OD2 3.38Å; Q94-D98 VanDerWaalsContact NE2-CG 3.29Å; Q94-D98 PolarHBondContact NE2-OD1 3.49Å; Q94-D98 PolarHBondContact NE2-OD2 2.86Å; Q94-D98 PolarHBondContact O-N 2.93Å; Q94-R121 VanDerWaalsContact OE1-NH1 3.11Å
95	A	98.2	Very high	97.6	Very high	17 Å²	17	58.2 Å²	58.2	14%	0.14	27%	0.271	C	S	.	.	H	α-helix	trans	-58.1	-36.9	175.7	0	0	0	0	0	113.1	F46 Y91 R93 R99	F46-A95 HydrophobicContact CB-CB 3.72Å; F46-A95 HydrophobicContact CD1-CB 3.82Å; F46-A95 HydrophobicContact CD2-CB 4.09Å; F46-A95 HydrophobicContact CE1-CB 4.48Å; F46-A95 HydrophobicContact CG-CB 3.6Å; Y91-A95 WeakPolarHBondContact O-CB 3.32Å; Y91-A95 PolarHBondContact O-N 2.93Å; R93-A95 VanDerWaalsContact C-N 3.32Å; R93-A95 PolarHBondContact O-N 3.35Å; A95-R99 WeakPolarHBondContact O-CB 3.39Å; A95-R99 PolarHBondContact O-N 3.3Å
96	Q	97.9	Very high	97.5	Very high	100 Å²	100	56.2 Å²	56.2	47%	0.467	26%	0.255	S	S	.	.	H	α-helix	trans	-74.6	-36.4	173.6	-63.7	-56.7	-46.8	0	0	112.5	K92 R93 Q94 R99 V100	K92-Q96 PolarHBondContact O-N 3.31Å; R93-Q96 PolarHBondContact O-N 3Å; R93-Q96 VanDerWaalsContact O-N 3.08Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 2.93Å; Q96-R99 VanDerWaalsContact OE1-CD 3.23Å; Q96-V100 WeakPolarHBondContact O-CG2 3.4Å; Q96-V100 PolarHBondContact O-N 3.35Å; Q96-V100 VanDerWaalsContact O-N 3.17Å
97	T	97.8	Very high	97.5	Very high	67 Å²	67	53.6 Å²	53.6	41%	0.411	26%	0.259	S	S	.	.	H	α-helix	trans	-59.4	-49.1	172.2	-61.2	0	0	0	0	110.9	R93 Q94 V100 N101	R93-T97 PolarHBondContact O-N 3.5Å; R93-T97 PolarHBondContact O-OG1 3.4Å; Q94-T97 CarbonylContact O-C 3.58Å; Q94-T97 WeakPolarHBondContact O-CA 3.47Å; Q94-T97 WeakPolarHBondContact O-CB 3.44Å; Q94-T97 PolarHBondContact O-N 3.37Å; Q94-T97 VanDerWaalsContact O-N 3.07Å; T97-V100 CarbonylContact O-C 3.48Å; T97-V100 WeakPolarHBondContact O-CA 3.39Å; T97-V100 WeakPolarHBondContact O-CB 3.46Å; T97-V100 PolarHBondContact O-N 3.49Å; T97-N101 VanDerWaalsContact O-CG 3.28Å; T97-N101 PolarHBondContact O-N 2.76Å; T97-N101 PolarHBondContact O-ND2 3.49Å
98	D	97.8	Very high	97.5	Very high	3 Å²	3	56 Å²	56	2%	0.016	27%	0.268	C	S	.	.	H	α-helix	trans	-74.6	-28.4	-177.8	-66.2	-35.7	0	0	0	113.2	A35 Q94 V100 N101 L102	A35-D98 HydrophobicContact CB-CB 3.62Å; Q94-D98 WeakPolarHBondContact CG-OD2 3.38Å; Q94-D98 VanDerWaalsContact NE2-CG 3.29Å; Q94-D98 PolarHBondContact NE2-OD1 3.49Å; Q94-D98 PolarHBondContact NE2-OD2 2.86Å; Q94-D98 PolarHBondContact O-N 2.93Å; D98-V100 PolarHBondContact O-N 3.3Å; D98-N101 PolarHBondContact O-N 2.99Å; D98-N101 PolarHBondContact OD1-ND2 3.23Å; D98-L102 WeakPolarHBondContact O-CB 3.5Å; D98-L102 VanDerWaalsContact O-CG 3.3Å; D98-L102 WeakPolarHBondContact O-CG 3.49Å; D98-L102 PolarHBondContact O-N 3.37Å
99	R	97.3	Very high	97.5	Very high	70 Å²	70	58.9 Å²	58.9	26%	0.264	28%	0.278	S	S	.	.	H	α-helix	trans	-58.5	-33.1	165.3	176.1	-167.9	-176.7	-142.9	-0.2	112.7	E43 P44 A95 Q96 R103	E43-R99 IonicContact OE1-CZ 2.92Å; E43-R99 IonicContact OE1-NE 3.84Å; E43-R99 PolarHBondContact OE1-NE 3.3Å; E43-R99 IonicContact OE1-NH2 3.39Å; E43-R99 PolarHBondContact OE1-NH2 2.88Å; E43-R99 WeakPolarHBondContact OE2-CD 3.49Å; E43-R99 IonicContact OE2-CZ 3.42Å; E43-R99 IonicContact OE2-NE 3.72Å; E43-R99 PolarHBondContact OE2-NE 2.91Å; E43-R99 IonicContact OE2-NH2 3.37Å; P44-R99 HydrophobicContact CG-CB 4.33Å; P44-R99 HydrophobicContact CG-CG 4.28Å; A95-R99 WeakPolarHBondContact O-CB 3.39Å; A95-R99 PolarHBondContact O-N 3.3Å; Q96-R99 VanDerWaalsContact OE1-CD 3.23Å; R99-R103 WeakPolarHBondContact O-CG 3.38Å; R99-R103 PolarHBondContact O-NE 3.49Å
100	V	97.3	Very high	97.4	Very high	70 Å²	70	61.1 Å²	61.1	42%	0.424	29%	0.294	S	S	.	.	H	α-helix	trans	-80.4	-43.7	173.4	171.6	0	0	0	0	110.7	Q96 T97 D98 L102 R103 N104	Q96-V100 WeakPolarHBondContact O-CG2 3.4Å; Q96-V100 PolarHBondContact O-N 3.35Å; Q96-V100 VanDerWaalsContact O-N 3.17Å; T97-V100 CarbonylContact O-C 3.48Å; T97-V100 WeakPolarHBondContact O-CA 3.39Å; T97-V100 WeakPolarHBondContact O-CB 3.46Å; T97-V100 PolarHBondContact O-N 3.49Å; D98-V100 PolarHBondContact O-N 3.3Å; V100-L102 VanDerWaalsContact C-N 3.34Å; V100-L102 PolarHBondContact O-N 3.32Å; V100-R103 WeakPolarHBondContact O-CB 3.36Å; V100-R103 PolarHBondContact O-N 2.93Å; V100-R103 VanDerWaalsContact O-N 3.08Å; V100-N104 PolarHBondContact O-N 3.37Å
101	N	97.6	Very high	97.3	Very high	39 Å²	39	61 Å²	61	21%	0.209	29%	0.294	C	S	.	.	H	α-helix	trans	-57.8	-43.8	177.2	-64.7	-26.8	0	0	0	111.9	T97 D98 R103 N104 L105 I119	T97-N101 VanDerWaalsContact O-CG 3.28Å; T97-N101 PolarHBondContact O-N 2.76Å; T97-N101 PolarHBondContact O-ND2 3.49Å; D98-N101 PolarHBondContact O-N 2.99Å; D98-N101 PolarHBondContact OD1-ND2 3.23Å; N101-R103 PolarHBondContact O-N 3.4Å; N101-R103 VanDerWaalsContact O-N 3.16Å; N101-N104 PolarHBondContact O-N 3.37Å; N101-L105 WeakPolarHBondContact O-CG 3.42Å; N101-L105 PolarHBondContact O-N 3.46Å; N101-I119 HydrophobicContact CB-CD1 3.36Å
102	L	97.6	Very high	97.1	Very high	9 Å²	9	64.6 Å²	64.6	5%	0.047	32%	0.32	C	S	.	.	H	α-helix	trans	-56.6	-31.9	177.1	-80.7	164.3	0	0	0	113	A35 P44 D98 V100 R106 H117 I119 Y142	A35-L102 HydrophobicContact CB-CD1 4.05Å; P44-L102 HydrophobicContact CB-CD1 3.6Å; P44-L102 HydrophobicContact CG-CD1 3.66Å; D98-L102 WeakPolarHBondContact O-CB 3.5Å; D98-L102 VanDerWaalsContact O-CG 3.3Å; D98-L102 WeakPolarHBondContact O-CG 3.49Å; D98-L102 PolarHBondContact O-N 3.37Å; V100-L102 VanDerWaalsContact C-N 3.34Å; V100-L102 PolarHBondContact O-N 3.32Å; L102-R106 VanDerWaalsContact O-CB 3.24Å; L102-R106 WeakPolarHBondContact O-CB 3.31Å; L102-R106 PolarHBondContact O-N 2.81Å; L102-H117 HydrophobicContact CD2-CB 4.15Å; L102-I119 HydrophobicContact CB-CD1 4.46Å; L102-I119 HydrophobicContact CD2-CD1 4.07Å; L102-I119 HydrophobicContact CD2-CG1 3.8Å; L102-I119 HydrophobicContact CG-CD1 3.81Å; L102-I119 HydrophobicContact CG-CG1 4.07Å; L102-Y142 HydrophobicContact CD2-CE2 4.27Å
103	R	95.6	Very high	96.7	Very high	124 Å²	124	67.2 Å²	67.2	47%	0.468	33%	0.333	S	S	.	.	H	α-helix	trans	-77.7	-42.1	174.6	-58.1	173.3	-165.7	-176.1	-0.3	111.4	R99 V100 N101 G107	R99-R103 WeakPolarHBondContact O-CG 3.38Å; R99-R103 PolarHBondContact O-NE 3.49Å; V100-R103 WeakPolarHBondContact O-CB 3.36Å; V100-R103 PolarHBondContact O-N 2.93Å; V100-R103 VanDerWaalsContact O-N 3.08Å; N101-R103 PolarHBondContact O-N 3.4Å; N101-R103 VanDerWaalsContact O-N 3.16Å; R103-G107 PolarHBondContact O-N 3.18Å; R103-G107 VanDerWaalsContact O-N 3.08Å
104	N	96.6	Very high	96.3	Very high	69 Å²	69	63.9 Å²	63.9	37%	0.369	34%	0.339	S	S	.	.	H	α-helix	trans	-63.6	-49.1	-179.9	-68.1	-20.6	0	0	0	111.6	V100 N101 G107 Y108	V100-N104 PolarHBondContact O-N 3.37Å; N101-N104 PolarHBondContact O-N 3.37Å; N104-G107 CarbonylContact O-C 3.59Å; N104-G107 WeakPolarHBondContact O-CA 3.47Å; N104-G107 PolarHBondContact O-N 3.37Å; N104-G107 VanDerWaalsContact O-N 3.14Å; N104-Y108 VanDerWaalsContact O-CD1 3.31Å; N104-Y108 WeakPolarHBondContact O-CD1 3.47Å; N104-Y108 PolarHBondContact O-N 3.44Å
105	L	97.6	Very high	96	Very high	10 Å²	10	70 Å²	70	5%	0.052	36%	0.361	C	S	.	.	H	α-helix	trans	-63.3	-48.3	179.8	-62.7	-176.5	0	0	0	111.3	N101 G107 Y108 Y109 I119 Y142 Y147	N101-L105 WeakPolarHBondContact O-CG 3.42Å; N101-L105 PolarHBondContact O-N 3.46Å; L105-G107 PolarHBondContact O-N 2.97Å; L105-G107 VanDerWaalsContact O-N 3.14Å; L105-Y108 HydrophobicContact CD2-CD2 4.01Å; L105-Y108 HydrophobicContact CD2-CE2 4.3Å; L105-Y108 PolarHBondContact O-N 2.97Å; L105-Y109 HydrophobicContact CB-CD2 4.38Å; L105-Y109 HydrophobicContact CB-CE2 4.5Å; L105-Y109 VanDerWaalsContact O-CD2 3.23Å; L105-Y109 WeakPolarHBondContact O-CD2 3.48Å; L105-Y109 PolarHBondContact O-N 2.9Å; L105-I119 HydrophobicContact CD1-CD1 3.58Å; L105-I119 HydrophobicContact CD1-CG1 3.72Å; L105-I119 HydrophobicContact CG-CD1 4.46Å; L105-Y142 HydrophobicContact CB-CD1 4.23Å; L105-Y142 HydrophobicContact CB-CD2 4.27Å; L105-Y142 HydrophobicContact CB-CE1 3.82Å; L105-Y142 HydrophobicContact CB-CE2 3.88Å; L105-Y142 HydrophobicContact CB-CG 4.42Å; L105-Y142 HydrophobicContact CD1-CD1 4.25Å; L105-Y142 HydrophobicContact CD1-CD2 3.42Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.42Å; L105-Y142 HydrophobicContact CD1-CE2 3.79Å; L105-Y142 HydrophobicContact CD1-CG 3.67Å; L105-Y142 HydrophobicContact CG-CD2 4.49Å; L105-Y142 HydrophobicContact CG-CE2 4.5Å; L105-Y147 HydrophobicContact CD2-CD2 4.36Å; L105-Y147 HydrophobicContact CD2-CE1 3.82Å; L105-Y147 HydrophobicContact CD2-CE2 3.57Å; L105-Y147 VanDerWaalsContact CD2-OH 3.23Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.29Å
106	R	96.1	Very high	96	Very high	64 Å²	64	72.1 Å²	72.1	24%	0.242	38%	0.375	C	S	.	.	H	α-helix	trans	-53.1	-36.5	173.4	-172	-165.6	67.3	171.4	10	111.8	L102 N110 Q111 E113 Y142	L102-R106 VanDerWaalsContact O-CB 3.24Å; L102-R106 WeakPolarHBondContact O-CB 3.31Å; L102-R106 PolarHBondContact O-N 2.81Å; R106-N110 PolarHBondContact O-N 2.93Å; R106-Q111 HydrophobicContact CG-CB 3.75Å; R106-Q111 PolarHBondContact O-N 3.35Å; R106-E113 IonicContact CZ-OE1 3.35Å; R106-E113 IonicContact NH1-OE1 3.18Å; R106-E113 PolarHBondContact NH1-OE1 3.28Å; R106-E113 IonicContact NH2-OE1 3.89Å; R106-E113 PolarHBondContact NH2-OE1 3.23Å; R106-Y142 PolarHBondContact N-OH 3.25Å
107	G	96.1	Very high	96	Very high	43 Å²	43	67.5 Å²	67.5	44%	0.443	35%	0.353	S	S	.	.	H	α-helix	trans	-67.5	-50.7	171.3	0	0	0	0	0	113.7	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.18Å; R103-G107 VanDerWaalsContact O-N 3.08Å; N104-G107 CarbonylContact O-C 3.59Å; N104-G107 WeakPolarHBondContact O-CA 3.47Å; N104-G107 PolarHBondContact O-N 3.37Å; N104-G107 VanDerWaalsContact O-N 3.14Å; L105-G107 PolarHBondContact O-N 2.97Å; L105-G107 VanDerWaalsContact O-N 3.14Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 2.94Å; G107-N110 PolarHBondContact O-N 3.41Å; G107-N110 VanDerWaalsContact O-N 3.09Å
108	Y	97.6	Very high	96	Very high	56 Å²	56	67.1 Å²	67.1	22%	0.22	35%	0.348	C	S	.	.	H	α-helix	trans	-58.6	-38	178.8	-61.6	-11.5	0	0	0	112.4	N104 L105 A163 I166 K170	N104-Y108 VanDerWaalsContact O-CD1 3.31Å; N104-Y108 WeakPolarHBondContact O-CD1 3.47Å; N104-Y108 PolarHBondContact O-N 3.44Å; L105-Y108 HydrophobicContact CD2-CD2 4.01Å; L105-Y108 HydrophobicContact CD2-CE2 4.3Å; L105-Y108 PolarHBondContact O-N 2.97Å; Y108-A163 HydrophobicContact CD2-CB 4.3Å; Y108-I166 HydrophobicContact CD1-CD1 4.16Å; Y108-I166 HydrophobicContact CD2-CB 4.46Å; Y108-I166 HydrophobicContact CD2-CD1 4.34Å; Y108-I166 HydrophobicContact CE1-CD1 4.47Å; Y108-I166 HydrophobicContact CE1-CG2 4.04Å; Y108-I166 HydrophobicContact CE2-CB 4.05Å; Y108-I166 HydrophobicContact CE2-CG2 4.11Å; Y108-I166 HydrophobicContact CG-CD1 4.1Å; Y108-K170 PolarHBondContact OH-NZ 3.44Å
109	Y	97.4	Very high	96	Very high	68 Å²	68	67.2 Å²	67.2	27%	0.267	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	2.6	178.5	-68.2	-69.9	0	0	0	114.3	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CB-CD2 4.38Å; L105-Y109 HydrophobicContact CB-CE2 4.5Å; L105-Y109 VanDerWaalsContact O-CD2 3.23Å; L105-Y109 WeakPolarHBondContact O-CD2 3.48Å; L105-Y109 PolarHBondContact O-N 2.9Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 2.94Å; Y109-Q111 VanDerWaalsContact C-N 3.26Å; Y109-Q111 PolarHBondContact O-N 3.47Å; Y109-Y142 AromaticContact CD2-CD1 3.67Å; Y109-Y142 HydrophobicContact CD2-CD1 3.67Å; Y109-Y142 AromaticContact CD2-CE1 3.45Å; Y109-Y142 HydrophobicContact CD2-CE1 3.45Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.45Å; Y109-Y142 AromaticContact CE2-CD1 3.43Å; Y109-Y142 HydrophobicContact CE2-CD1 3.43Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.43Å; Y109-Y142 AromaticContact CE2-CE1 3.75Å; Y109-Y142 HydrophobicContact CE2-CE1 3.75Å; Y109-Y142 HydrophobicContact CE2-CG 4.47Å; Y109-Y142 HydrophobicContact CG-CE1 4.41Å; Y109-Y147 HydrophobicContact CE2-CD2 4.37Å; Y109-Y147 HydrophobicContact CE2-CE2 4.12Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.31Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.37Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.2Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.23Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.29Å; Y109-D161 PolarHBondContact OH-OD1 3.25Å; Y109-D161 PolarHBondContact OH-OD2 3.3Å; Y109-A163 HydrophobicContact CD1-CB 4.25Å; Y109-A163 HydrophobicContact CE1-CB 3.72Å; Y109-A163 HydrophobicContact CE2-CB 4.03Å
110	N	96.1	Very high	96.1	Very high	149 Å²	149	67.7 Å²	67.7	80%	0.797	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	37.8	-178.8	-57.7	-81.5	0	0	0	114	R106 G107	R106-N110 PolarHBondContact O-N 2.93Å; G107-N110 PolarHBondContact O-N 3.41Å; G107-N110 VanDerWaalsContact O-N 3.09Å
111	Q	96	Very high	96.2	Very high	60 Å²	60	65.8 Å²	65.8	28%	0.28	34%	0.339	S	S	.	.			trans	-87.7	154.4	-175.3	-69.1	166.7	-31.3	0	0	112.5	R106 Y109 H117 Y142	R106-Q111 HydrophobicContact CG-CB 3.75Å; R106-Q111 PolarHBondContact O-N 3.35Å; Y109-Q111 VanDerWaalsContact C-N 3.26Å; Y109-Q111 PolarHBondContact O-N 3.47Å; Q111-H117 PolarHBondContact OE1-CE1 2.87Å; Q111-Y142 PolarHBondContact OE1-OH 3.5Å
112	S	93.3	Very high	96.2	Very high	77 Å²	77	65.1 Å²	65.1	54%	0.538	34%	0.335	S	S	.	.			trans	-78	151	-176.4	66.3	0	0	0	0	113.3	A114	S112-A114 PolarHBondContact O-N 2.94Å
113	E	89.8	Confident	96.3	Very high	135 Å²	135	65.6 Å²	65.6	63%	0.631	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-19.8	-178.8	-56.5	-144.4	101.6	0	0	114.4	P39 R106 R115	P39-E113 WeakPolarHBondContact CB-O 3.43Å; P39-E113 VanDerWaalsContact CG-O 3.26Å; P39-E113 WeakPolarHBondContact CG-O 3.48Å; R106-E113 IonicContact CZ-OE1 3.35Å; R106-E113 IonicContact NH1-OE1 3.18Å; R106-E113 PolarHBondContact NH1-OE1 3.28Å; R106-E113 IonicContact NH2-OE1 3.89Å; R106-E113 PolarHBondContact NH2-OE1 3.23Å; E113-R115 VanDerWaalsContact C-N 3.35Å
114	A	91.1	Very high	96.4	Very high	88 Å²	88	59.7 Å²	59.7	73%	0.727	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-12.4	-174.8	0	0	0	0	0	114	S112	S112-A114 PolarHBondContact O-N 2.94Å
115	R	92.3	Very high	96.5	Very high	153 Å²	153	56.4 Å²	56.4	58%	0.577	30%	0.296	S	S	*	.	S	Bend	trans	-91.5	138.4	-177.2	177.4	167.6	173	150.9	-0.3	111.7	P39 E113 H117	P39-R115 VanDerWaalsContact CG-O 3.3Å; P39-R115 WeakPolarHBondContact CG-O 3.32Å; E113-R115 VanDerWaalsContact C-N 3.35Å; R115-H117 PolarHBondContact O-CD2 3.14Å
116	S	96.8	Very high	96.5	Very high	61 Å²	61	57.2 Å²	57.2	43%	0.427	30%	0.301	S	S	.	.			trans	-76.5	135.7	167.6	-178.4	0	0	0	0	109.6	S37	S37-S116 WeakPolarHBondContact O-CB 3.37Å; S37-S116 PolarHBondContact O-OG 3.49Å
117	H	97.9	Very high	96.6	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.009	29%	0.29	C	S	.	.			trans	-132.3	151.5	-176.1	-69.2	-76.6	0	0	0	110.1	S37 L102 Q111 R115 Y142 D143	S37-H117 PolarHBondContact N-O 3.06Å; S37-H117 PolarHBondContact OG-N 2.94Å; S37-H117 PolarHBondContact OG-O 3.3Å; L102-H117 HydrophobicContact CD2-CB 4.15Å; Q111-H117 PolarHBondContact OE1-CE1 2.87Å; R115-H117 PolarHBondContact O-CD2 3.14Å; H117-Y142 HydrophobicContact CB-CE2 3.95Å; H117-Y142 AromaticContact ND1-CZ 4Å; H117-Y142 PolarHBondContact ND1-OH 3.48Å; H117-D143 WeakPolarHBondContact CA-OD1 3.37Å; H117-D143 WeakPolarHBondContact CB-OD1 3.42Å; H117-D143 IonicContact CE1-OD2 3.62Å; H117-D143 PolarHBondContact CE1-OD2 2.82Å; H117-D143 IonicContact CG-OD1 2.74Å; H117-D143 IonicContact CG-OD2 3.69Å; H117-D143 IonicContact ND1-OD1 3.1Å; H117-D143 PolarHBondContact ND1-OD1 3.15Å; H117-D143 IonicContact ND1-OD2 2.71Å; H117-D143 PolarHBondContact ND1-OD2 2.86Å
118	I	98.4	Very high	96.5	Very high	59 Å²	59	52.4 Å²	52.4	30%	0.303	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.8	-174.4	-52.4	-177	0	0	0	110	T34 A35 V36 Q120 Y142 D143	T34-I118 HydrophobicContact CG2-CG2 3.91Å; A35-I118 WeakPolarHBondContact O-CA 3.44Å; V36-I118 HydrophobicContact CG1-CG1 4.27Å; V36-I118 HydrophobicContact CG2-CD1 4.4Å; V36-I118 HydrophobicContact CG2-CG1 4.18Å; V36-I118 HydrophobicContact CG2-CG2 4.29Å; I118-Q120 HydrophobicContact CG2-CG 4.01Å; I118-Y142 CarbonylContact O-C 3.52Å; I118-Y142 WeakPolarHBondContact O-CA 3.17Å; I118-Y142 WeakPolarHBondContact O-CD2 3.44Å; I118-D143 PolarHBondContact N-OD1 3.46Å; I118-D143 PolarHBondContact O-N 2.88Å
119	I	98.4	Very high	96.2	Very high	5 Å²	5	54.5 Å²	54.5	3%	0.026	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	136.2	160.1	-64.9	175.6	0	0	0	108.2	T34 A35 N101 L102 L105 Y140 A141 Y142	T34-I119 WeakPolarHBondContact CA-O 3.47Å; A35-I119 HydrophobicContact CB-CB 4.43Å; A35-I119 PolarHBondContact N-O 3.39Å; A35-I119 PolarHBondContact O-N 2.99Å; N101-I119 HydrophobicContact CB-CD1 3.36Å; L102-I119 HydrophobicContact CB-CD1 4.46Å; L102-I119 HydrophobicContact CD2-CD1 4.07Å; L102-I119 HydrophobicContact CD2-CG1 3.8Å; L102-I119 HydrophobicContact CG-CD1 3.81Å; L102-I119 HydrophobicContact CG-CG1 4.07Å; L105-I119 HydrophobicContact CD1-CD1 3.58Å; L105-I119 HydrophobicContact CD1-CG1 3.72Å; L105-I119 HydrophobicContact CG-CD1 4.46Å; I119-Y140 HydrophobicContact CG2-CD1 4.02Å; I119-A141 WeakPolarHBondContact CA-O 3.38Å; I119-Y142 HydrophobicContact CG1-CD2 3.75Å; I119-Y142 HydrophobicContact CG1-CE2 4.12Å
120	Q	98.8	Very high	95.9	Very high	81 Å²	81	55.4 Å²	55.4	38%	0.379	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	146.6	167.1	-69	167.8	-93.8	0	0	109.4	Y33 T34 I118 Y140 A141	Y33-Q120 CarbonylContact O-C 3.47Å; Y33-Q120 VanDerWaalsContact O-CA 3.28Å; Y33-Q120 WeakPolarHBondContact O-CA 3.21Å; T34-Q120 HydrophobicContact CG2-CG 4.13Å; I118-Q120 HydrophobicContact CG2-CG 4.01Å; Q120-Y140 CarbonylContact O-C 3.52Å; Q120-Y140 VanDerWaalsContact O-CA 3.28Å; Q120-Y140 WeakPolarHBondContact O-CA 3.39Å; Q120-A141 HydrophobicContact CB-CB 4.24Å; Q120-A141 PolarHBondContact N-O 2.66Å; Q120-A141 PolarHBondContact O-N 3.26Å
121	R	98.6	Very high	95.7	Very high	30 Å²	30	48.9 Å²	48.9	11%	0.113	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	132.2	170.4	-175.7	-167.5	-172.8	169.7	5.5	109.1	F32 Y33 Q94 Y123 D138 Q139 Y140	F32-R121 WeakPolarHBondContact CA-O 3.44Å; Y33-R121 PolarHBondContact N-O 3.19Å; Y33-R121 PolarHBondContact O-N 3.44Å; Q94-R121 VanDerWaalsContact OE1-NH1 3.11Å; R121-Y123 HydrophobicContact CG-CD1 4.27Å; R121-D138 IonicContact CZ-OD1 3.77Å; R121-D138 IonicContact NE-OD1 3.32Å; R121-D138 PolarHBondContact NE-OD1 2.99Å; R121-D138 IonicContact NH2-OD1 2.71Å; R121-D138 PolarHBondContact NH2-OD1 3.03Å; R121-D138 IonicContact NH2-OD2 2.68Å; R121-Q139 CarbonylContact C-O 3.5Å; R121-Q139 VanDerWaalsContact CA-O 3.31Å; R121-Q139 WeakPolarHBondContact CA-O 3.41Å; R121-Y140 HydrophobicContact CB-CD1 3.95Å; R121-Y140 HydrophobicContact CB-CE1 3.87Å; R121-Y140 HydrophobicContact CB-CG 4.37Å; R121-Y140 VanDerWaalsContact CD-CZ 3.45Å; R121-Y140 WeakPolarHBondContact CD-OH 3.3Å; R121-Y140 HydrophobicContact CG-CD1 4.16Å; R121-Y140 HydrophobicContact CG-CD2 4.06Å; R121-Y140 HydrophobicContact CG-CE1 3.89Å; R121-Y140 HydrophobicContact CG-CE2 3.75Å; R121-Y140 HydrophobicContact CG-CG 4.27Å; R121-Y140 VanDerWaalsContact CZ-OH 3.27Å; R121-Y140 PolarHBondContact NE-OH 3.47Å; R121-Y140 PolarHBondContact NH1-OH 2.66Å
122	M	98.7	Very high	95.7	Very high	25 Å²	25	54 Å²	54	12%	0.123	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130.9	162.4	-171.7	-77.9	-73.6	0	0	108.3	Y31 F32 Y137 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.34Å; F32-M122 HydrophobicContact CD1-CB 3.99Å; F32-M122 HydrophobicContact CD1-CG 3.59Å; F32-M122 HydrophobicContact CE1-CB 4.15Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CG-CG 4.4Å; F32-M122 HydrophobicContact CZ-CG 3.98Å; M122-Y137 HydrophobicContact CE-CD1 3.86Å; M122-Y137 HydrophobicContact CE-CG 4.03Å; M122-Q139 HydrophobicContact CB-CG 4.08Å; M122-Q139 HydrophobicContact CE-CG 4.11Å; M122-Q139 VanDerWaalsContact CE-OE1 3.28Å; M122-Q139 PolarHBondContact N-O 2.94Å; M122-Q139 PolarHBondContact O-N 2.96Å
123	Y	98.7	Very high	95.9	Very high	18 Å²	18	52.7 Å²	52.7	7%	0.071	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	155.3	171.7	77.4	-85.4	0	0	0	110.7	Y31 Y33 R121 Y137 D138 Y183	Y31-Y123 VanDerWaalsContact CB-CE1 3.42Å; Y31-Y123 HydrophobicContact CD2-CE1 4.48Å; Y31-Y123 AromaticContact CD2-CE2 3.81Å; Y31-Y123 HydrophobicContact CD2-CE2 3.81Å; Y31-Y123 AromaticContact CD2-CZ 3.75Å; Y31-Y123 HydrophobicContact CG-CE1 4.12Å; Y31-Y123 HydrophobicContact CG-CE2 4.27Å; Y31-Y123 AromaticContact CG-CZ 3.74Å; Y31-Y123 PolarHBondContact N-O 3.5Å; Y31-Y123 PolarHBondContact O-N 3.42Å; Y33-Y123 HydrophobicContact CD2-CE1 4.11Å; Y33-Y123 HydrophobicContact CE1-CE1 4.27Å; Y33-Y123 HydrophobicContact CE2-CD1 4.39Å; Y33-Y123 AromaticContact CE2-CE1 3.47Å; Y33-Y123 HydrophobicContact CE2-CE1 3.47Å; Y33-Y123 VanDerWaalsContact CE2-CE1 3.47Å; Y33-Y123 AromaticContact CZ-CE1 3.58Å; Y33-Y123 PolarHBondContact OH-OH 3.37Å; R121-Y123 HydrophobicContact CG-CD1 4.27Å; Y123-Y137 WeakPolarHBondContact CA-O 3.21Å; Y123-Y137 VanDerWaalsContact CB-O 3.29Å; Y123-Y137 WeakPolarHBondContact CB-O 3.26Å; Y123-D138 VanDerWaalsContact CB-OD1 3.25Å; Y123-D138 WeakPolarHBondContact CB-OD1 3.42Å; Y123-Y183 AromaticContact CD2-CE1 3.85Å; Y123-Y183 HydrophobicContact CD2-CE1 3.85Å; Y123-Y183 AromaticContact CE2-CE1 3.62Å; Y123-Y183 HydrophobicContact CE2-CE1 3.62Å; Y123-Y183 AromaticContact CE2-CZ 3.96Å
124	G	98.6	Very high	96.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.3	-177.6	-173.5	0	0	0	0	0	114.1	M29 Y137 L184	M29-G124 CarbonylContact O-C 3.59Å; M29-G124 WeakPolarHBondContact O-CA 3.46Å; G124-Y137 PolarHBondContact N-O 2.84Å; G124-Y137 PolarHBondContact O-N 3.3Å; G124-L184 WeakPolarHBondContact O-CD2 3.29Å
125	C	98.6	Very high	96.5	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	146.4	-178	52.3	0	0	0	0	111	S28 M29 L133 R135 L184 C188	S28-C125 WeakPolarHBondContact CA-O 3.43Å; M29-C125 PolarHBondContact N-O 3.41Å; M29-C125 PolarHBondContact O-N 2.74Å; C125-L133 HydrophobicContact CB-CD1 3.54Å; C125-R135 WeakPolarHBondContact CA-O 3.34Å; C125-L184 HydrophobicContact CB-CD2 4.47Å; C125-C188 HydrophobicContact CB-CB 3.85Å; C125-C188 WeakPolarHBondContact CB-SG 3.43Å; C125-C188 PolarHBondContact N-SG 2.72Å; C125-C188 VanDerWaalsContact N-SG 3.38Å; C125-C188 WeakPolarHBondContact SG-CB 3.38Å; C125-C188 CovalentContact SG-SG 2.03Å; C125-C188 PolarHBondContact SG-SG 3.03Å
126	D	98.3	Very high	96.8	Very high	28 Å²	28	44.9 Å²	44.9	15%	0.15	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	140.5	173.1	-59.8	-3.4	0	0	0	108.9	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.58Å; H27-D126 WeakPolarHBondContact O-CA 3.46Å; S28-D126 WeakPolarHBondContact CB-OD1 3.42Å; R30-D126 IonicContact CZ-OD1 3.63Å; R30-D126 VanDerWaalsContact CZ-OD1 3.23Å; R30-D126 IonicContact CZ-OD2 2.79Å; R30-D126 IonicContact NE-OD1 3.89Å; R30-D126 PolarHBondContact NE-OD1 3.48Å; R30-D126 IonicContact NH2-OD1 3.36Å; R30-D126 PolarHBondContact NH2-OD1 2.94Å; R30-D126 IonicContact NH2-OD2 3.9Å; R30-D126 PolarHBondContact NH2-OD2 2.86Å; D126-L134 PolarHBondContact O-N 2.86Å; D126-R135 PolarHBondContact N-O 3.37Å; D126-R135 PolarHBondContact O-N 3.25Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.32Å; D126-Y137 PolarHBondContact OD2-OH 2.77Å
127	V	97.5	Very high	96.9	Very high	2 Å²	2	44 Å²	44	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146.2	-179.3	-59.3	0	0	0	0	111.3	S26 H27 R132 V189 L192	S26-V127 WeakPolarHBondContact CA-O 3.4Å; H27-V127 HydrophobicContact CB-CG2 4.08Å; H27-V127 PolarHBondContact N-O 3.14Å; H27-V127 PolarHBondContact O-N 2.86Å; V127-R132 WeakPolarHBondContact CA-O 3.42Å; V127-R132 WeakPolarHBondContact CB-O 3.43Å; V127-V189 HydrophobicContact CG1-CB 4.39Å; V127-V189 HydrophobicContact CG1-CG1 4.06Å; V127-V189 HydrophobicContact CG1-CG2 3.84Å; V127-L192 HydrophobicContact CB-CD2 4.4Å; V127-L192 HydrophobicContact CG1-CD2 3.99Å; V127-L192 HydrophobicContact CG2-CD2 3.63Å; V127-L192 HydrophobicContact CG2-CG 4.21Å
128	G	94.5	Very high	96.9	Very high	4 Å²	4	44 Å²	44	4%	0.041	22%	0.216	C	C	.	.			trans	-83.3	-177.3	175	0	0	0	0	0	112.7	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.09Å; G128-D130 VanDerWaalsContact O-N 3.15Å; G128-G131 VanDerWaalsContact O-CA 3.29Å; G128-G131 WeakPolarHBondContact O-CA 3.34Å; G128-G131 PolarHBondContact O-N 2.91Å; G128-R132 PolarHBondContact N-O 3.22Å; G128-R132 VanDerWaalsContact N-O 3.11Å
129	P	91.5	Very high	96.9	Very high	99 Å²	99	44.6 Å²	44.6	64%	0.643	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.4	178.5	-26.1	35.2	0	0	0	115.2	A24 G25 G131	A24-P129 WeakPolarHBondContact O-CG 3.37Å; G25-P129 WeakPolarHBondContact O-CA 3.44Å; P129-G131 PolarHBondContact O-N 2.95Å
130	D	91	Very high	96.9	Very high	87 Å²	87	45.4 Å²	45.4	47%	0.465	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	1.4	171.2	77	-11.5	0	0	0	113.4	G128 R132	G128-D130 PolarHBondContact O-N 3.09Å; G128-D130 VanDerWaalsContact O-N 3.15Å; D130-R132 VanDerWaalsContact C-N 3.26Å; D130-R132 PolarHBondContact O-N 3.27Å; D130-R132 VanDerWaalsContact OD1-CB 3.28Å; D130-R132 WeakPolarHBondContact OD1-CB 3.19Å; D130-R132 WeakPolarHBondContact OD1-CG 3.46Å; D130-R132 PolarHBondContact OD1-N 3.23Å; D130-R132 WeakPolarHBondContact OD2-CD 3.39Å; D130-R132 WeakPolarHBondContact OD2-CG 3.39Å; D130-R132 IonicContact OD2-CZ 2.68Å; D130-R132 IonicContact OD2-NE 3.7Å; D130-R132 PolarHBondContact OD2-NE 2.81Å; D130-R132 IonicContact OD2-NH1 2.81Å; D130-R132 PolarHBondContact OD2-NH1 3.45Å
131	G	91.2	Very high	96.9	Very high	13 Å²	13	42.4 Å²	42.4	13%	0.134	21%	0.209	C	C	.	.			trans	70.2	7.7	-177.9	0	0	0	0	0	114.9	G128 P129 V189 R193	G128-G131 VanDerWaalsContact O-CA 3.29Å; G128-G131 WeakPolarHBondContact O-CA 3.34Å; G128-G131 PolarHBondContact O-N 2.91Å; P129-G131 PolarHBondContact O-N 2.95Å; G131-V189 VanDerWaalsContact O-CG1 3.31Å; G131-V189 WeakPolarHBondContact O-CG1 3.37Å; G131-R193 VanDerWaalsContact C-NH2 3.34Å; G131-R193 PolarHBondContact O-NE 3Å; G131-R193 PolarHBondContact O-NH2 3.18Å
132	R	95.1	Very high	96.9	Very high	167 Å²	167	41.6 Å²	41.6	63%	0.63	21%	0.206	S	C	*	.			trans	-80	151.9	176.6	-64.3	-176	-177.8	126.8	-9.3	111.2	V127 G128 D130 L134	V127-R132 WeakPolarHBondContact CA-O 3.42Å; V127-R132 WeakPolarHBondContact CB-O 3.43Å; G128-R132 PolarHBondContact N-O 3.22Å; G128-R132 VanDerWaalsContact N-O 3.11Å; D130-R132 VanDerWaalsContact C-N 3.26Å; D130-R132 PolarHBondContact O-N 3.27Å; D130-R132 VanDerWaalsContact OD1-CB 3.28Å; D130-R132 WeakPolarHBondContact OD1-CB 3.19Å; D130-R132 WeakPolarHBondContact OD1-CG 3.46Å; D130-R132 PolarHBondContact OD1-N 3.23Å; D130-R132 WeakPolarHBondContact OD2-CD 3.39Å; D130-R132 WeakPolarHBondContact OD2-CG 3.39Å; D130-R132 IonicContact OD2-CZ 2.68Å; D130-R132 IonicContact OD2-NE 3.7Å; D130-R132 PolarHBondContact OD2-NE 2.81Å; D130-R132 IonicContact OD2-NH1 2.81Å; D130-R132 PolarHBondContact OD2-NH1 3.45Å; R132-L134 PolarHBondContact O-N 3.39Å
133	L	97.4	Very high	96.9	Very high	50 Å²	50	42.8 Å²	42.8	26%	0.262	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	123.3	173.7	-172.4	74	0	0	0	110.4	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.54Å; L133-R135 VanDerWaalsContact CD1-O 3.3Å; L133-R135 WeakPolarHBondContact CD1-O 3.38Å; L133-L154 HydrophobicContact CD2-CD1 4.04Å; L133-E185 HydrophobicContact CD2-CG 3.81Å; L133-V189 HydrophobicContact CB-CG2 4.01Å; L133-V189 HydrophobicContact CD1-CG2 3.94Å
134	L	97.3	Very high	96.8	Very high	114 Å²	114	44.7 Å²	44.7	60%	0.597	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	-44.5	165.3	-62.1	177.5	0	0	0	110.4	D126 R132	D126-L134 PolarHBondContact O-N 2.86Å; R132-L134 PolarHBondContact O-N 3.39Å
135	R	97.4	Very high	96.8	Very high	93 Å²	93	52.5 Å²	52.5	35%	0.351	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	141.5	-175.1	-171.7	164.3	172.6	134.7	9.6	111.8	C125 D126 L133 Y137 E152	C125-R135 WeakPolarHBondContact CA-O 3.34Å; D126-R135 PolarHBondContact N-O 3.37Å; D126-R135 PolarHBondContact O-N 3.25Å; L133-R135 VanDerWaalsContact CD1-O 3.3Å; L133-R135 WeakPolarHBondContact CD1-O 3.38Å; R135-Y137 HydrophobicContact CB-CE2 4.08Å; R135-Y137 VanDerWaalsContact CD-CZ 3.49Å; R135-Y137 VanDerWaalsContact CD-OH 3.28Å; R135-Y137 WeakPolarHBondContact CD-OH 3.32Å; R135-Y137 HydrophobicContact CG-CD2 4.3Å; R135-Y137 HydrophobicContact CG-CE1 4.35Å; R135-Y137 HydrophobicContact CG-CE2 3.69Å; R135-Y137 PolarHBondContact NE-OH 2.88Å; R135-E152 VanDerWaalsContact CZ-CD 3.4Å; R135-E152 IonicContact CZ-OE1 2.77Å; R135-E152 IonicContact NH1-OE1 3.88Å; R135-E152 PolarHBondContact NH1-OE1 2.78Å; R135-E152 IonicContact NH1-OE2 3.37Å; R135-E152 PolarHBondContact NH1-OE2 2.9Å; R135-E152 VanDerWaalsContact NH2-CD 3.32Å; R135-E152 VanDerWaalsContact NH2-CG 3.35Å; R135-E152 IonicContact NH2-OE1 2.68Å; R135-E152 PolarHBondContact NH2-OE1 2.87Å
136	G	98.2	Very high	96.8	Very high	5 Å²	5	58.1 Å²	58.1	5%	0.052	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	153.9	169	0	0	0	0	0	111.1
137	Y	98.4	Very high	96.9	Very high	41 Å²	41	57.2 Å²	57.2	16%	0.161	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	138.4	-178.7	-59.1	-99.4	0	0	0	110.5	R30 M122 Y123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CE2 3.31Å; R30-Y137 PolarHBondContact NH2-OH 2.6Å; M122-Y137 HydrophobicContact CE-CD1 3.86Å; M122-Y137 HydrophobicContact CE-CG 4.03Å; Y123-Y137 WeakPolarHBondContact CA-O 3.21Å; Y123-Y137 VanDerWaalsContact CB-O 3.29Å; Y123-Y137 WeakPolarHBondContact CB-O 3.26Å; G124-Y137 PolarHBondContact N-O 2.84Å; G124-Y137 PolarHBondContact O-N 3.3Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.32Å; D126-Y137 PolarHBondContact OD2-OH 2.77Å; R135-Y137 HydrophobicContact CB-CE2 4.08Å; R135-Y137 VanDerWaalsContact CD-CZ 3.49Å; R135-Y137 VanDerWaalsContact CD-OH 3.28Å; R135-Y137 WeakPolarHBondContact CD-OH 3.32Å; R135-Y137 HydrophobicContact CG-CD2 4.3Å; R135-Y137 HydrophobicContact CG-CE1 4.35Å; R135-Y137 HydrophobicContact CG-CE2 3.69Å; R135-Y137 PolarHBondContact NE-OH 2.88Å
138	D	98.6	Very high	96.9	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.016	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	111.6	157.7	-173.2	58.6	0	0	0	108.2	R121 Y123 L150 L180	R121-D138 IonicContact CZ-OD1 3.77Å; R121-D138 IonicContact NE-OD1 3.32Å; R121-D138 PolarHBondContact NE-OD1 2.99Å; R121-D138 IonicContact NH2-OD1 2.71Å; R121-D138 PolarHBondContact NH2-OD1 3.03Å; R121-D138 IonicContact NH2-OD2 2.68Å; Y123-D138 VanDerWaalsContact CB-OD1 3.25Å; Y123-D138 WeakPolarHBondContact CB-OD1 3.42Å; D138-L150 HydrophobicContact CB-CB 4.03Å; D138-L150 HydrophobicContact CB-CD2 4.18Å; D138-L150 WeakPolarHBondContact O-CB 3.26Å; D138-L150 PolarHBondContact O-N 3.45Å; D138-L180 HydrophobicContact CB-CD1 4.23Å; D138-L180 WeakPolarHBondContact OD2-CD1 3.47Å
139	Q	98.6	Very high	97.1	Very high	71 Å²	71	58.7 Å²	58.7	33%	0.332	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	141.2	-176.5	63	-174.3	89.4	0	0	111.8	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.5Å; R121-Q139 VanDerWaalsContact CA-O 3.31Å; R121-Q139 WeakPolarHBondContact CA-O 3.41Å; M122-Q139 HydrophobicContact CB-CG 4.08Å; M122-Q139 HydrophobicContact CE-CG 4.11Å; M122-Q139 VanDerWaalsContact CE-OE1 3.28Å; M122-Q139 PolarHBondContact N-O 2.94Å; M122-Q139 PolarHBondContact O-N 2.96Å; Q139-I148 WeakPolarHBondContact CA-O 3.44Å; Q139-A149 HydrophobicContact CB-CB 3.84Å
140	Y	98.7	Very high	97.5	Very high	23 Å²	23	54.6 Å²	54.6	9%	0.09	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	143	-179.2	-75.2	-104.7	0	0	0	111.1	I119 Q120 R121 Y147 I148 W171	I119-Y140 HydrophobicContact CG2-CD1 4.02Å; Q120-Y140 CarbonylContact O-C 3.52Å; Q120-Y140 VanDerWaalsContact O-CA 3.28Å; Q120-Y140 WeakPolarHBondContact O-CA 3.39Å; R121-Y140 HydrophobicContact CB-CD1 3.95Å; R121-Y140 HydrophobicContact CB-CE1 3.87Å; R121-Y140 HydrophobicContact CB-CG 4.37Å; R121-Y140 VanDerWaalsContact CD-CZ 3.45Å; R121-Y140 WeakPolarHBondContact CD-OH 3.3Å; R121-Y140 HydrophobicContact CG-CD1 4.16Å; R121-Y140 HydrophobicContact CG-CD2 4.06Å; R121-Y140 HydrophobicContact CG-CE1 3.89Å; R121-Y140 HydrophobicContact CG-CE2 3.75Å; R121-Y140 HydrophobicContact CG-CG 4.27Å; R121-Y140 VanDerWaalsContact CZ-OH 3.27Å; R121-Y140 PolarHBondContact NE-OH 3.47Å; R121-Y140 PolarHBondContact NH1-OH 2.66Å; Y140-Y147 WeakPolarHBondContact O-CB 3.28Å; Y140-Y147 PolarHBondContact O-N 2.88Å; Y140-I148 HydrophobicContact CD2-CG2 4.44Å; Y140-I148 PolarHBondContact N-O 3.03Å; Y140-I148 PolarHBondContact O-N 2.9Å; Y140-W171 AromaticContact CD2-CH2 3.84Å; Y140-W171 HydrophobicContact CD2-CH2 3.84Å; Y140-W171 HydrophobicContact CD2-CZ3 4.39Å; Y140-W171 AromaticContact CE2-CH2 3.58Å; Y140-W171 HydrophobicContact CE2-CH2 3.58Å; Y140-W171 HydrophobicContact CE2-CZ2 4.47Å; Y140-W171 HydrophobicContact CE2-CZ3 4.33Å
141	A	98.8	Very high	97.8	Very high	18 Å²	18	52.6 Å²	52.6	15%	0.149	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	149.2	173	0	0	0	0	0	110.3	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 3.38Å; Q120-A141 HydrophobicContact CB-CB 4.24Å; Q120-A141 PolarHBondContact N-O 2.66Å; Q120-A141 PolarHBondContact O-N 3.26Å; A141-K145 CarbonylContact C-O 3.49Å; A141-K145 WeakPolarHBondContact CA-O 3.4Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.47Å
142	Y	98.7	Very high	98.1	Very high	12 Å²	12	58.5 Å²	58.5	5%	0.047	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	131.1	175.2	-171.4	-126	0	0	0	111	L102 L105 R106 Y109 Q111 H117 I118 I119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.27Å; L105-Y142 HydrophobicContact CB-CD1 4.23Å; L105-Y142 HydrophobicContact CB-CD2 4.27Å; L105-Y142 HydrophobicContact CB-CE1 3.82Å; L105-Y142 HydrophobicContact CB-CE2 3.88Å; L105-Y142 HydrophobicContact CB-CG 4.42Å; L105-Y142 HydrophobicContact CD1-CD1 4.25Å; L105-Y142 HydrophobicContact CD1-CD2 3.42Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.42Å; L105-Y142 HydrophobicContact CD1-CE2 3.79Å; L105-Y142 HydrophobicContact CD1-CG 3.67Å; L105-Y142 HydrophobicContact CG-CD2 4.49Å; L105-Y142 HydrophobicContact CG-CE2 4.5Å; R106-Y142 PolarHBondContact N-OH 3.25Å; Y109-Y142 AromaticContact CD2-CD1 3.67Å; Y109-Y142 HydrophobicContact CD2-CD1 3.67Å; Y109-Y142 AromaticContact CD2-CE1 3.45Å; Y109-Y142 HydrophobicContact CD2-CE1 3.45Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.45Å; Y109-Y142 AromaticContact CE2-CD1 3.43Å; Y109-Y142 HydrophobicContact CE2-CD1 3.43Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.43Å; Y109-Y142 AromaticContact CE2-CE1 3.75Å; Y109-Y142 HydrophobicContact CE2-CE1 3.75Å; Y109-Y142 HydrophobicContact CE2-CG 4.47Å; Y109-Y142 HydrophobicContact CG-CE1 4.41Å; Q111-Y142 PolarHBondContact OE1-OH 3.5Å; H117-Y142 HydrophobicContact CB-CE2 3.95Å; H117-Y142 AromaticContact ND1-CZ 4Å; H117-Y142 PolarHBondContact ND1-OH 3.48Å; I118-Y142 CarbonylContact O-C 3.52Å; I118-Y142 WeakPolarHBondContact O-CA 3.17Å; I118-Y142 WeakPolarHBondContact O-CD2 3.44Å; I119-Y142 HydrophobicContact CG1-CD2 3.75Å; I119-Y142 HydrophobicContact CG1-CE2 4.12Å; Y142-G144 PolarHBondContact O-N 2.92Å; Y142-G144 VanDerWaalsContact O-N 3.09Å; Y142-K145 PolarHBondContact N-O 3.06Å; Y142-K145 PolarHBondContact O-N 3.4Å
143	D	98	Very high	98.2	Very high	50 Å²	50	54 Å²	54	27%	0.267	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	37	-175.1	-74.2	-3.2	0	0	0	113.6	H117 I118	H117-D143 WeakPolarHBondContact CA-OD1 3.37Å; H117-D143 WeakPolarHBondContact CB-OD1 3.42Å; H117-D143 IonicContact CE1-OD2 3.62Å; H117-D143 PolarHBondContact CE1-OD2 2.82Å; H117-D143 IonicContact CG-OD1 2.74Å; H117-D143 IonicContact CG-OD2 3.69Å; H117-D143 IonicContact ND1-OD1 3.1Å; H117-D143 PolarHBondContact ND1-OD1 3.15Å; H117-D143 IonicContact ND1-OD2 2.71Å; H117-D143 PolarHBondContact ND1-OD2 2.86Å; I118-D143 PolarHBondContact N-OD1 3.46Å; I118-D143 PolarHBondContact O-N 2.88Å
144	G	97.1	Very high	98.3	Very high	58 Å²	58	52 Å²	52	60%	0.598	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	15.6	179.1	0	0	0	0	0	115.6	Y142	Y142-G144 PolarHBondContact O-N 2.92Å; Y142-G144 VanDerWaalsContact O-N 3.09Å
145	K	98.4	Very high	98.3	Very high	164 Å²	164	54.3 Å²	54.3	71%	0.713	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	149	175.4	-61.4	-176.4	178.9	-174.4	0	111.2	A141 Y142 Y147	A141-K145 CarbonylContact C-O 3.49Å; A141-K145 WeakPolarHBondContact CA-O 3.4Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.47Å; Y142-K145 PolarHBondContact N-O 3.06Å; Y142-K145 PolarHBondContact O-N 3.4Å; K145-Y147 PolarHBondContact O-N 3.44Å
146	D	98.7	Very high	98.3	Very high	118 Å²	118	51.9 Å²	51.9	63%	0.631	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.1	139.5	173.9	-62.6	-46.2	0	0	0	111.5	A160	D146-A160 HydrophobicContact CB-CB 4.37Å; D146-A160 WeakPolarHBondContact O-CB 3.28Å
147	Y	98.8	Very high	98.3	Very high	10 Å²	10	52.1 Å²	52.1	4%	0.039	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-63.7	178.8	179.7	-107.6	0	0	0	110.3	L105 Y109 Y140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD2 4.36Å; L105-Y147 HydrophobicContact CD2-CE1 3.82Å; L105-Y147 HydrophobicContact CD2-CE2 3.57Å; L105-Y147 VanDerWaalsContact CD2-OH 3.23Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.29Å; Y109-Y147 HydrophobicContact CE2-CD2 4.37Å; Y109-Y147 HydrophobicContact CE2-CE2 4.12Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.31Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.37Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.2Å; Y140-Y147 WeakPolarHBondContact O-CB 3.28Å; Y140-Y147 PolarHBondContact O-N 2.88Å; K145-Y147 PolarHBondContact O-N 3.44Å; Y147-A160 WeakPolarHBondContact O-CB 3.49Å; Y147-A160 PolarHBondContact O-N 2.85Å; Y147-A163 HydrophobicContact CE2-CB 4.43Å; Y147-A163 PolarHBondContact OH-O 2.87Å; Y147-A164 HydrophobicContact CD2-CB 3.87Å; Y147-A164 HydrophobicContact CE1-CB 4.46Å; Y147-A164 VanDerWaalsContact CE2-CA 3.5Å; Y147-A164 HydrophobicContact CE2-CB 3.74Å; Y147-A164 HydrophobicContact CG-CB 4.3Å; Y147-A164 VanDerWaalsContact CZ-CA 3.5Å; Y147-A164 WeakPolarHBondContact O-CB 3.46Å; Y147-T167 HydrophobicContact CE1-CG2 4.22Å; Y147-T167 PolarHBondContact OH-OG1 2.82Å
148	I	98.8	Very high	98.4	Very high	4 Å²	4	54 Å²	54	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	141.9	177	-162.5	174.3	0	0	0	110.5	Q139 Y140 W157 T158 A159 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.44Å; Y140-I148 HydrophobicContact CD2-CG2 4.44Å; Y140-I148 PolarHBondContact N-O 3.03Å; Y140-I148 PolarHBondContact O-N 2.9Å; I148-W157 HydrophobicContact CD1-CB 4.16Å; I148-W157 HydrophobicContact CD1-CD2 4.29Å; I148-W157 HydrophobicContact CD1-CE3 4.09Å; I148-W157 HydrophobicContact CD1-CG 4.34Å; I148-W157 HydrophobicContact CG1-CB 4.33Å; I148-W157 HydrophobicContact CG1-CE3 4.01Å; I148-T158 WeakPolarHBondContact CA-O 3.31Å; I148-T158 WeakPolarHBondContact CG1-O 3.16Å; I148-A159 HydrophobicContact CG1-CB 4.49Å; I148-T167 HydrophobicContact CD1-CG2 4.12Å; I148-T167 HydrophobicContact CG2-CG2 4.45Å; I148-Q168 HydrophobicContact CD1-CB 3.84Å; I148-W171 HydrophobicContact CD1-CE3 3.98Å; I148-W171 HydrophobicContact CD1-CZ3 4.2Å; I148-W171 HydrophobicContact CG2-CE3 4.33Å; I148-W171 HydrophobicContact CG2-CH2 3.94Å; I148-W171 HydrophobicContact CG2-CZ3 3.51Å
149	A	98.8	Very high	98.4	Very high	32 Å²	32	54.9 Å²	54.9	26%	0.264	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	141.2	177	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.84Å; A149-W157 WeakPolarHBondContact O-CA 3.49Å; A149-T158 PolarHBondContact N-O 2.84Å; A149-T158 PolarHBondContact O-N 2.98Å
150	L	98.8	Very high	98.4	Very high	14 Å²	14	54.4 Å²	54.4	7%	0.073	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	129.8	168.4	-176.5	67	0	0	0	108.6	D138 L154 W157 A177 L180 L184	D138-L150 HydrophobicContact CB-CB 4.03Å; D138-L150 HydrophobicContact CB-CD2 4.18Å; D138-L150 WeakPolarHBondContact O-CB 3.26Å; D138-L150 PolarHBondContact O-N 3.45Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.28Å; L150-W157 HydrophobicContact CB-CE3 4.05Å; L150-W157 HydrophobicContact CB-CH2 4.16Å; L150-W157 HydrophobicContact CB-CZ3 3.68Å; L150-W157 HydrophobicContact CD1-CD2 4.29Å; L150-W157 HydrophobicContact CD1-CE3 4.33Å; L150-W157 HydrophobicContact CD1-CH2 4.11Å; L150-W157 HydrophobicContact CD1-CZ2 4.04Å; L150-W157 HydrophobicContact CD1-CZ3 4.24Å; L150-A177 HydrophobicContact CD1-CB 3.87Å; L150-L180 HydrophobicContact CD2-CB 4.2Å; L150-L184 HydrophobicContact CD2-CD1 3.91Å
151	N	98.6	Very high	98.3	Very high	44 Å²	44	55.8 Å²	55.8	24%	0.235	31%	0.31	C	S	.	.			trans	-76.2	164.4	-178.9	-66.2	-23.9	0	0	0	111.7	D153 L154 S156 W157 T158	N151-D153 PolarHBondContact O-N 2.81Å; N151-L154 PolarHBondContact O-N 3.33Å; N151-S156 WeakPolarHBondContact CB-O 3.48Å; N151-S156 PolarHBondContact N-O 3.16Å; N151-S156 PolarHBondContact ND2-OG 3.2Å; N151-W157 PolarHBondContact ND2-N 2.89Å; N151-T158 WeakPolarHBondContact OD1-CB 3.35Å; N151-T158 PolarHBondContact OD1-N 3.36Å; N151-T158 PolarHBondContact OD1-OG1 2.77Å
152	E	97.6	Very high	98.3	Very high	138 Å²	138	60.3 Å²	60.3	65%	0.645	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.4	-177.9	-61.2	179.9	-162.3	0	0	113.9	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.4Å; R135-E152 IonicContact CZ-OE1 2.77Å; R135-E152 IonicContact NH1-OE1 3.88Å; R135-E152 PolarHBondContact NH1-OE1 2.78Å; R135-E152 IonicContact NH1-OE2 3.37Å; R135-E152 PolarHBondContact NH1-OE2 2.9Å; R135-E152 VanDerWaalsContact NH2-CD 3.32Å; R135-E152 VanDerWaalsContact NH2-CG 3.35Å; R135-E152 IonicContact NH2-OE1 2.68Å; R135-E152 PolarHBondContact NH2-OE1 2.87Å; E152-L154 PolarHBondContact O-N 2.75Å
153	D	97.5	Very high	98.3	Very high	72 Å²	72	60 Å²	60	39%	0.385	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-9.4	173.1	70.6	-2	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.81Å; D153-R155 VanDerWaalsContact O-CG 3.32Å; D153-R155 WeakPolarHBondContact O-CG 3.49Å; D153-R155 PolarHBondContact O-N 3.22Å; D153-R155 PolarHBondContact OD1-N 2.85Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.79Å; D153-S156 PolarHBondContact OD1-OG 2.88Å; D153-S156 WeakPolarHBondContact OD2-CB 3.49Å; D153-S156 PolarHBondContact OD2-N 2.91Å; D153-S156 PolarHBondContact OD2-OG 3.32Å
154	L	98.1	Very high	98.3	Very high	9 Å²	9	57.6 Å²	57.6	5%	0.047	32%	0.323	C	S	.	.	S	Bend	trans	52.5	32	-172.9	-53.8	-178.7	0	0	0	113.4	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.04Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.28Å; N151-L154 PolarHBondContact O-N 3.33Å; E152-L154 PolarHBondContact O-N 2.75Å; L154-R181 HydrophobicContact CB-CB 3.98Å; L154-R181 HydrophobicContact CB-CG 3.72Å; L154-R181 HydrophobicContact CD1-CG 4.16Å; L154-R181 WeakPolarHBondContact O-CD 3.34Å; L154-L184 HydrophobicContact CD1-CB 4.43Å; L154-L184 HydrophobicContact CD2-CD1 3.99Å; L154-E185 HydrophobicContact CD1-CG 4.22Å
155	R	97.6	Very high	98.4	Very high	162 Å²	162	58.1 Å²	58.1	61%	0.611	31%	0.31	S	S	*	.	S	Bend	trans	-138.3	-35.7	-174.5	-66.9	162.1	-167.9	-127.5	5.1	113.3	D153 A177	D153-R155 VanDerWaalsContact O-CG 3.32Å; D153-R155 WeakPolarHBondContact O-CG 3.49Å; D153-R155 PolarHBondContact O-N 3.22Å; D153-R155 PolarHBondContact OD1-N 2.85Å; R155-A177 WeakPolarHBondContact O-CB 3.18Å
156	S	97.9	Very high	98.4	Very high	42 Å²	42	53.2 Å²	53.2	29%	0.294	29%	0.291	S	S	.	.			trans	-111.3	164.9	-177.5	63	0	0	0	0	112	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.48Å; N151-S156 PolarHBondContact N-O 3.16Å; N151-S156 PolarHBondContact ND2-OG 3.2Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.79Å; D153-S156 PolarHBondContact OD1-OG 2.88Å; D153-S156 WeakPolarHBondContact OD2-CB 3.49Å; D153-S156 PolarHBondContact OD2-N 2.91Å; D153-S156 PolarHBondContact OD2-OG 3.32Å
157	W	98.7	Very high	98.3	Very high	10 Å²	10	48.3 Å²	48.3	4%	0.038	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	142.7	-175.2	-63.4	97.9	0	0	0	111.2	I148 A149 L150 N151 Q168 W171 E176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.16Å; I148-W157 HydrophobicContact CD1-CD2 4.29Å; I148-W157 HydrophobicContact CD1-CE3 4.09Å; I148-W157 HydrophobicContact CD1-CG 4.34Å; I148-W157 HydrophobicContact CG1-CB 4.33Å; I148-W157 HydrophobicContact CG1-CE3 4.01Å; A149-W157 WeakPolarHBondContact O-CA 3.49Å; L150-W157 HydrophobicContact CB-CE3 4.05Å; L150-W157 HydrophobicContact CB-CH2 4.16Å; L150-W157 HydrophobicContact CB-CZ3 3.68Å; L150-W157 HydrophobicContact CD1-CD2 4.29Å; L150-W157 HydrophobicContact CD1-CE3 4.33Å; L150-W157 HydrophobicContact CD1-CH2 4.11Å; L150-W157 HydrophobicContact CD1-CZ2 4.04Å; L150-W157 HydrophobicContact CD1-CZ3 4.24Å; N151-W157 PolarHBondContact ND2-N 2.89Å; W157-Q168 HydrophobicContact CB-CG 4.09Å; W157-Q168 PolarHBondContact O-NE2 3.06Å; W157-W171 HydrophobicContact CD2-CE3 4.09Å; W157-W171 AromaticContact CE2-CE3 3.89Å; W157-W171 AromaticContact CE3-CE3 3.94Å; W157-W171 HydrophobicContact CE3-CE3 3.94Å; W157-W171 HydrophobicContact CE3-CZ3 4.08Å; W157-W171 HydrophobicContact CH2-CD2 4.44Å; W157-W171 AromaticContact CH2-CE3 3.4Å; W157-W171 HydrophobicContact CH2-CE3 3.4Å; W157-W171 AromaticContact CH2-CZ3 3.52Å; W157-W171 HydrophobicContact CH2-CZ3 3.52Å; W157-W171 HydrophobicContact CZ2-CB 4.39Å; W157-W171 HydrophobicContact CZ2-CD2 4.34Å; W157-W171 AromaticContact CZ2-CE3 3.56Å; W157-W171 HydrophobicContact CZ2-CE3 3.56Å; W157-W171 HydrophobicContact CZ2-CZ3 4.18Å; W157-W171 AromaticContact CZ3-CE3 3.62Å; W157-W171 HydrophobicContact CZ3-CE3 3.62Å; W157-W171 AromaticContact CZ3-CZ3 3.48Å; W157-W171 HydrophobicContact CZ3-CZ3 3.48Å; W157-W171 VanDerWaalsContact CZ3-CZ3 3.48Å; W157-E176 HydrophobicContact CZ2-CB 4.39Å; W157-A177 HydrophobicContact CZ2-CB 4.22Å; W157-L180 HydrophobicContact CH2-CD1 3.43Å; W157-L180 VanDerWaalsContact CH2-CD1 3.43Å; W157-L180 HydrophobicContact CZ2-CD1 3.85Å
158	T	98.7	Very high	98.3	Very high	80 Å²	80	49.7 Å²	49.7	49%	0.491	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	116.7	164.9	-66.2	0	0	0	0	109	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.31Å; I148-T158 WeakPolarHBondContact CG1-O 3.16Å; A149-T158 PolarHBondContact N-O 2.84Å; A149-T158 PolarHBondContact O-N 2.98Å; N151-T158 WeakPolarHBondContact OD1-CB 3.35Å; N151-T158 PolarHBondContact OD1-N 3.36Å; N151-T158 PolarHBondContact OD1-OG1 2.77Å
159	A	98.7	Very high	98.3	Very high	22 Å²	22	56.7 Å²	56.7	18%	0.182	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	128.4	175	0	0	0	0	0	110.4	I148 A164 Q165 Q168	I148-A159 HydrophobicContact CG1-CB 4.49Å; A159-A164 HydrophobicContact CB-CB 3.67Å; A159-Q165 HydrophobicContact CB-CG 4.01Å; A159-Q168 HydrophobicContact CB-CB 4.39Å; A159-Q168 VanDerWaalsContact CB-OE1 3.29Å
160	A	98.5	Very high	98.3	Very high	60 Å²	60	60.7 Å²	60.7	50%	0.496	31%	0.31	S	S	.	.	S	Bend	trans	-72.4	-28.9	-175.3	0	0	0	0	0	113.7	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.37Å; D146-A160 WeakPolarHBondContact O-CB 3.28Å; Y147-A160 WeakPolarHBondContact O-CB 3.49Å; Y147-A160 PolarHBondContact O-N 2.85Å
161	D	98.3	Very high	98.3	Very high	53 Å²	53	62.5 Å²	62.5	28%	0.283	32%	0.315	S	S	.	.	S	Bend	trans	-150.2	-174.3	-179.4	69.8	30.9	0	0	0	113.8	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.23Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.29Å; Y109-D161 PolarHBondContact OH-OD1 3.25Å; Y109-D161 PolarHBondContact OH-OD2 3.3Å; D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 3.49Å; D161-A163 WeakPolarHBondContact OD1-CA 3.22Å; D161-A163 WeakPolarHBondContact OD1-CB 2.98Å; D161-A163 PolarHBondContact OD1-N 2.87Å; D161-A164 PolarHBondContact O-N 3.13Å; D161-A164 PolarHBondContact OD1-N 2.79Å; D161-Q165 WeakPolarHBondContact O-CG 3.26Å; D161-Q165 PolarHBondContact O-N 3.32Å
162	T	98.1	Very high	98.3	Very high	112 Å²	112	64.7 Å²	64.7	69%	0.687	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-20.9	-178.8	51	0	0	0	0	114.7
163	A	98	Very high	98.3	Very high	6 Å²	6	62.3 Å²	62.3	5%	0.05	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-42.6	171.2	0	0	0	0	0	110.3	Y108 Y109 Y147 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.3Å; Y109-A163 HydrophobicContact CD1-CB 4.25Å; Y109-A163 HydrophobicContact CE1-CB 3.72Å; Y109-A163 HydrophobicContact CE2-CB 4.03Å; Y147-A163 HydrophobicContact CE2-CB 4.43Å; Y147-A163 PolarHBondContact OH-O 2.87Å; D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 3.49Å; D161-A163 WeakPolarHBondContact OD1-CA 3.22Å; D161-A163 WeakPolarHBondContact OD1-CB 2.98Å; D161-A163 PolarHBondContact OD1-N 2.87Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 2.89Å; A163-I166 WeakPolarHBondContact O-CA 3.1Å; A163-I166 WeakPolarHBondContact O-CB 3.28Å; A163-I166 WeakPolarHBondContact O-CG1 3.34Å; A163-I166 PolarHBondContact O-N 2.99Å
164	A	98.4	Very high	98.3	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-58.1	-36.7	173	0	0	0	0	0	112.9	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.87Å; Y147-A164 HydrophobicContact CE1-CB 4.46Å; Y147-A164 VanDerWaalsContact CE2-CA 3.5Å; Y147-A164 HydrophobicContact CE2-CB 3.74Å; Y147-A164 HydrophobicContact CG-CB 4.3Å; Y147-A164 VanDerWaalsContact CZ-CA 3.5Å; Y147-A164 WeakPolarHBondContact O-CB 3.46Å; A159-A164 HydrophobicContact CB-CB 3.67Å; D161-A164 PolarHBondContact O-N 3.13Å; D161-A164 PolarHBondContact OD1-N 2.79Å; A164-I166 PolarHBondContact O-N 3.09Å; A164-I166 VanDerWaalsContact O-N 3.16Å; A164-T167 WeakPolarHBondContact O-CA 3.31Å; A164-T167 WeakPolarHBondContact O-CB 3.41Å; A164-T167 PolarHBondContact O-N 2.8Å; A164-Q168 PolarHBondContact O-N 2.85Å
165	Q	98.6	Very high	98.3	Very high	68 Å²	68	68 Å²	68	32%	0.318	36%	0.355	S	S	.	.	H	α-helix	trans	-59	-23.9	171.9	-73.2	176.2	23.4	0	0	113.8	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.01Å; D161-Q165 WeakPolarHBondContact O-CG 3.26Å; D161-Q165 PolarHBondContact O-N 3.32Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 2.89Å; Q165-R169 WeakPolarHBondContact O-CD 3.34Å; Q165-R169 VanDerWaalsContact O-CG 3.26Å; Q165-R169 WeakPolarHBondContact O-CG 3.49Å; Q165-R169 PolarHBondContact O-N 3.14Å
166	I	98.3	Very high	98.3	Very high	61 Å²	61	63.2 Å²	63.2	31%	0.313	34%	0.339	S	S	.	.	H	α-helix	trans	-72.8	-37.5	173.8	-52.1	173	0	0	0	110.3	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.16Å; Y108-I166 HydrophobicContact CD2-CB 4.46Å; Y108-I166 HydrophobicContact CD2-CD1 4.34Å; Y108-I166 HydrophobicContact CE1-CD1 4.47Å; Y108-I166 HydrophobicContact CE1-CG2 4.04Å; Y108-I166 HydrophobicContact CE2-CB 4.05Å; Y108-I166 HydrophobicContact CE2-CG2 4.11Å; Y108-I166 HydrophobicContact CG-CD1 4.1Å; A163-I166 WeakPolarHBondContact O-CA 3.1Å; A163-I166 WeakPolarHBondContact O-CB 3.28Å; A163-I166 WeakPolarHBondContact O-CG1 3.34Å; A163-I166 PolarHBondContact O-N 2.99Å; A164-I166 PolarHBondContact O-N 3.09Å; A164-I166 VanDerWaalsContact O-N 3.16Å; I166-K170 WeakPolarHBondContact O-CD 3.2Å; I166-K170 WeakPolarHBondContact O-CG 3.23Å
167	T	98.3	Very high	98.3	Very high	16 Å²	16	61.5 Å²	61.5	10%	0.098	33%	0.328	C	S	.	.	H	α-helix	trans	-69.7	-47	172.1	-71.4	0	0	0	0	111	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.22Å; Y147-T167 PolarHBondContact OH-OG1 2.82Å; I148-T167 HydrophobicContact CD1-CG2 4.12Å; I148-T167 HydrophobicContact CG2-CG2 4.45Å; A164-T167 WeakPolarHBondContact O-CA 3.31Å; A164-T167 WeakPolarHBondContact O-CB 3.41Å; A164-T167 PolarHBondContact O-N 2.8Å; T167-R169 PolarHBondContact O-N 2.82Å; T167-K170 WeakPolarHBondContact O-CB 3.47Å; T167-K170 PolarHBondContact O-N 3.15Å; T167-W171 HydrophobicContact CG2-CD2 3.51Å; T167-W171 VanDerWaalsContact CG2-CE2 3.42Å; T167-W171 HydrophobicContact CG2-CE3 3.81Å; T167-W171 HydrophobicContact CG2-CG 4.08Å; T167-W171 HydrophobicContact CG2-CH2 3.97Å; T167-W171 HydrophobicContact CG2-CZ2 3.68Å; T167-W171 HydrophobicContact CG2-CZ3 4.04Å; T167-W171 PolarHBondContact O-N 2.63Å
168	Q	98.6	Very high	98.3	Very high	39 Å²	39	65.9 Å²	65.9	18%	0.182	35%	0.349	C	S	.	.	H	α-helix	trans	-49.5	-56.1	177.9	174.9	170.4	8.9	0	0	111.9	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.84Å; W157-Q168 HydrophobicContact CB-CG 4.09Å; W157-Q168 PolarHBondContact O-NE2 3.06Å; A159-Q168 HydrophobicContact CB-CB 4.39Å; A159-Q168 VanDerWaalsContact CB-OE1 3.29Å; A164-Q168 PolarHBondContact O-N 2.85Å; Q168-K170 PolarHBondContact O-N 2.92Å; Q168-W171 PolarHBondContact O-N 3.28Å; Q168-E172 VanDerWaalsContact CG-CD 3.43Å; Q168-E172 HydrophobicContact CG-CG 4.21Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.49Å; Q168-E172 PolarHBondContact NE2-OE1 3.48Å; Q168-E172 WeakPolarHBondContact O-CB 3.39Å; Q168-E172 WeakPolarHBondContact O-CG 3.45Å; Q168-E172 PolarHBondContact O-N 3.21Å
169	R	98.6	Very high	98.2	Very high	151 Å²	151	68 Å²	68	57%	0.57	35%	0.353	S	S	*	.	H	α-helix	trans	-60.6	-30.4	-178.4	-66.6	167.5	-162.6	156.2	10.1	113.1	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CD 3.34Å; Q165-R169 VanDerWaalsContact O-CG 3.26Å; Q165-R169 WeakPolarHBondContact O-CG 3.49Å; Q165-R169 PolarHBondContact O-N 3.14Å; T167-R169 PolarHBondContact O-N 2.82Å; R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.39Å; R169-A173 PolarHBondContact O-N 2.75Å
170	K	98.2	Very high	98.1	Very high	116 Å²	116	68.3 Å²	68.3	50%	0.504	35%	0.351	S	S	.	.	H	α-helix	trans	-73.1	-43.4	175	-71.2	173.3	179.8	-177.9	0	111.3	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.44Å; I166-K170 WeakPolarHBondContact O-CD 3.2Å; I166-K170 WeakPolarHBondContact O-CG 3.23Å; T167-K170 WeakPolarHBondContact O-CB 3.47Å; T167-K170 PolarHBondContact O-N 3.15Å; Q168-K170 PolarHBondContact O-N 2.92Å; K170-A173 PolarHBondContact O-N 3.34Å; K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.5Å; K170-A174 PolarHBondContact O-N 2.9Å
171	W	98.3	Very high	98.1	Very high	51 Å²	51	68.9 Å²	68.9	19%	0.193	34%	0.341	C	S	.	.	H	α-helix	trans	-72.5	-32.7	-179.9	-71.8	-3.8	0	0	0	113.2	Y140 I148 W157 T167 Q168 R175 E176	Y140-W171 AromaticContact CD2-CH2 3.84Å; Y140-W171 HydrophobicContact CD2-CH2 3.84Å; Y140-W171 HydrophobicContact CD2-CZ3 4.39Å; Y140-W171 AromaticContact CE2-CH2 3.58Å; Y140-W171 HydrophobicContact CE2-CH2 3.58Å; Y140-W171 HydrophobicContact CE2-CZ2 4.47Å; Y140-W171 HydrophobicContact CE2-CZ3 4.33Å; I148-W171 HydrophobicContact CD1-CE3 3.98Å; I148-W171 HydrophobicContact CD1-CZ3 4.2Å; I148-W171 HydrophobicContact CG2-CE3 4.33Å; I148-W171 HydrophobicContact CG2-CH2 3.94Å; I148-W171 HydrophobicContact CG2-CZ3 3.51Å; W157-W171 HydrophobicContact CD2-CE3 4.09Å; W157-W171 AromaticContact CE2-CE3 3.89Å; W157-W171 AromaticContact CE3-CE3 3.94Å; W157-W171 HydrophobicContact CE3-CE3 3.94Å; W157-W171 HydrophobicContact CE3-CZ3 4.08Å; W157-W171 HydrophobicContact CH2-CD2 4.44Å; W157-W171 AromaticContact CH2-CE3 3.4Å; W157-W171 HydrophobicContact CH2-CE3 3.4Å; W157-W171 AromaticContact CH2-CZ3 3.52Å; W157-W171 HydrophobicContact CH2-CZ3 3.52Å; W157-W171 HydrophobicContact CZ2-CB 4.39Å; W157-W171 HydrophobicContact CZ2-CD2 4.34Å; W157-W171 AromaticContact CZ2-CE3 3.56Å; W157-W171 HydrophobicContact CZ2-CE3 3.56Å; W157-W171 HydrophobicContact CZ2-CZ3 4.18Å; W157-W171 AromaticContact CZ3-CE3 3.62Å; W157-W171 HydrophobicContact CZ3-CE3 3.62Å; W157-W171 AromaticContact CZ3-CZ3 3.48Å; W157-W171 HydrophobicContact CZ3-CZ3 3.48Å; W157-W171 VanDerWaalsContact CZ3-CZ3 3.48Å; T167-W171 HydrophobicContact CG2-CD2 3.51Å; T167-W171 VanDerWaalsContact CG2-CE2 3.42Å; T167-W171 HydrophobicContact CG2-CE3 3.81Å; T167-W171 HydrophobicContact CG2-CG 4.08Å; T167-W171 HydrophobicContact CG2-CH2 3.97Å; T167-W171 HydrophobicContact CG2-CZ2 3.68Å; T167-W171 HydrophobicContact CG2-CZ3 4.04Å; T167-W171 PolarHBondContact O-N 2.63Å; Q168-W171 PolarHBondContact O-N 3.28Å; W171-R175 WeakPolarHBondContact O-CA 3.43Å; W171-R175 PolarHBondContact O-N 2.88Å; W171-E176 HydrophobicContact CB-CB 4.07Å; W171-E176 HydrophobicContact CB-CG 3.88Å; W171-E176 HydrophobicContact CG-CB 4.26Å; W171-E176 HydrophobicContact CG-CG 3.86Å; W171-E176 PolarHBondContact O-N 3.09Å
172	E	98.4	Very high	98.1	Very high	90 Å²	90	69.6 Å²	69.6	42%	0.421	35%	0.354	S	S	.	.	H	α-helix	trans	-64.6	-49	169.2	-71.2	167.4	165.3	0	0	110.9	Q168 A174 R175	Q168-E172 VanDerWaalsContact CG-CD 3.43Å; Q168-E172 HydrophobicContact CG-CG 4.21Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.49Å; Q168-E172 PolarHBondContact NE2-OE1 3.48Å; Q168-E172 WeakPolarHBondContact O-CB 3.39Å; Q168-E172 WeakPolarHBondContact O-CG 3.45Å; Q168-E172 PolarHBondContact O-N 3.21Å; E172-A174 VanDerWaalsContact C-N 3.3Å; E172-A174 PolarHBondContact O-N 2.98Å; E172-R175 PolarHBondContact O-N 3.19Å; E172-R175 VanDerWaalsContact O-N 3.09Å
173	A	98.4	Very high	98.1	Very high	88 Å²	88	66.4 Å²	66.4	73%	0.727	33%	0.329	S	S	*	.	H	α-helix	trans	-63.8	-32	177.3	0	0	0	0	0	113.5	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.39Å; R169-A173 PolarHBondContact O-N 2.75Å; K170-A173 PolarHBondContact O-N 3.34Å
174	A	97.9	Very high	98.1	Very high	53 Å²	53	66.1 Å²	66.1	44%	0.438	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-3.8	174.8	0	0	0	0	0	114.1	K170 E172 E176	K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.5Å; K170-A174 PolarHBondContact O-N 2.9Å; E172-A174 VanDerWaalsContact C-N 3.3Å; E172-A174 PolarHBondContact O-N 2.98Å; A174-E176 VanDerWaalsContact C-N 3.26Å; A174-E176 HydrophobicContact CB-CG 3.98Å; A174-E176 PolarHBondContact O-N 3.49Å
175	R	97.7	Very high	98.1	Very high	149 Å²	149	70.4 Å²	70.4	56%	0.562	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	34.6	-178.1	-57.1	171.9	69.7	-172.8	-0.2	113.8	W171 E172 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.43Å; W171-R175 PolarHBondContact O-N 2.88Å; E172-R175 PolarHBondContact O-N 3.19Å; E172-R175 VanDerWaalsContact O-N 3.09Å; R175-A177 PolarHBondContact O-N 2.65Å; R175-E178 HydrophobicContact CB-CG 4.46Å; R175-E178 IonicContact CZ-OE1 2.79Å; R175-E178 IonicContact CZ-OE2 3.23Å; R175-E178 VanDerWaalsContact CZ-OE2 3.28Å; R175-E178 VanDerWaalsContact NE-CD 3.35Å; R175-E178 IonicContact NE-OE1 3.85Å; R175-E178 PolarHBondContact NE-OE1 2.88Å; R175-E178 IonicContact NE-OE2 3.6Å; R175-E178 PolarHBondContact NE-OE2 3.33Å; R175-E178 IonicContact NH2-OE1 2.75Å; R175-E178 PolarHBondContact NH2-OE1 3.45Å; R175-E178 IonicContact NH2-OE2 3.48Å; R175-E178 PolarHBondContact NH2-OE2 2.99Å; R175-E178 WeakPolarHBondContact O-CB 3.13Å; R175-E178 PolarHBondContact O-N 3.11Å
176	E	97.5	Very high	98.1	Very high	60 Å²	60	68.3 Å²	68.3	28%	0.28	34%	0.344	S	S	.	.	H	α-helix	trans	-58.2	-33.8	-175.6	-60.9	-72.3	-167.3	0	0	113	W157 W171 A174 E178 Q179 L180	W157-E176 HydrophobicContact CZ2-CB 4.39Å; W171-E176 HydrophobicContact CB-CB 4.07Å; W171-E176 HydrophobicContact CB-CG 3.88Å; W171-E176 HydrophobicContact CG-CB 4.26Å; W171-E176 HydrophobicContact CG-CG 3.86Å; W171-E176 PolarHBondContact O-N 3.09Å; A174-E176 VanDerWaalsContact C-N 3.26Å; A174-E176 HydrophobicContact CB-CG 3.98Å; A174-E176 PolarHBondContact O-N 3.49Å; E176-E178 PolarHBondContact O-N 3.28Å; E176-Q179 PolarHBondContact O-N 2.74Å; E176-Q179 VanDerWaalsContact O-N 3.09Å; E176-Q179 PolarHBondContact OE2-NE2 3.33Å; E176-L180 PolarHBondContact O-N 2.72Å
177	A	98.2	Very high	98	Very high	6 Å²	6	69.5 Å²	69.5	5%	0.05	35%	0.35	C	S	.	.	H	α-helix	trans	-57.3	-31.9	176.2	0	0	0	0	0	112.6	L150 R155 W157 R175 R181	L150-A177 HydrophobicContact CD1-CB 3.87Å; R155-A177 WeakPolarHBondContact O-CB 3.18Å; W157-A177 HydrophobicContact CZ2-CB 4.22Å; R175-A177 PolarHBondContact O-N 2.65Å; A177-R181 WeakPolarHBondContact O-CB 3.46Å; A177-R181 PolarHBondContact O-N 2.76Å
178	E	97.8	Very high	98.1	Very high	103 Å²	103	68.7 Å²	68.7	48%	0.481	35%	0.345	S	S	.	.	H	α-helix	trans	-72.3	-35.6	178	-62.3	180	-158.4	0	0	112.2	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.46Å; R175-E178 IonicContact CZ-OE1 2.79Å; R175-E178 IonicContact CZ-OE2 3.23Å; R175-E178 VanDerWaalsContact CZ-OE2 3.28Å; R175-E178 VanDerWaalsContact NE-CD 3.35Å; R175-E178 IonicContact NE-OE1 3.85Å; R175-E178 PolarHBondContact NE-OE1 2.88Å; R175-E178 IonicContact NE-OE2 3.6Å; R175-E178 PolarHBondContact NE-OE2 3.33Å; R175-E178 IonicContact NH2-OE1 2.75Å; R175-E178 PolarHBondContact NH2-OE1 3.45Å; R175-E178 IonicContact NH2-OE2 3.48Å; R175-E178 PolarHBondContact NH2-OE2 2.99Å; R175-E178 WeakPolarHBondContact O-CB 3.13Å; R175-E178 PolarHBondContact O-N 3.11Å; E176-E178 PolarHBondContact O-N 3.28Å; E178-A182 WeakPolarHBondContact O-CB 3.13Å; E178-A182 PolarHBondContact O-N 2.78Å
179	Q	96.6	Very high	98	Very high	125 Å²	125	67.2 Å²	67.2	58%	0.584	34%	0.339	S	S	*	.	H	α-helix	trans	-68.9	-43.5	174.4	-62.9	-178.2	65.4	0	0	111.1	E176 A182 Y183	E176-Q179 PolarHBondContact O-N 2.74Å; E176-Q179 VanDerWaalsContact O-N 3.09Å; E176-Q179 PolarHBondContact OE2-NE2 3.33Å; Q179-A182 PolarHBondContact O-N 3.2Å; Q179-Y183 PolarHBondContact O-N 2.87Å
180	L	97.8	Very high	98	Very high	27 Å²	27	65.5 Å²	65.5	14%	0.141	34%	0.337	C	S	.	.	H	α-helix	trans	-64.7	-45	175.9	-68.5	167.6	0	0	0	111.2	D138 L150 W157 E176 A182 Y183 L184	D138-L180 HydrophobicContact CB-CD1 4.23Å; D138-L180 WeakPolarHBondContact OD2-CD1 3.47Å; L150-L180 HydrophobicContact CD2-CB 4.2Å; W157-L180 HydrophobicContact CH2-CD1 3.43Å; W157-L180 VanDerWaalsContact CH2-CD1 3.43Å; W157-L180 HydrophobicContact CZ2-CD1 3.85Å; E176-L180 PolarHBondContact O-N 2.72Å; L180-A182 PolarHBondContact O-N 3.45Å; L180-Y183 WeakPolarHBondContact O-CB 3.34Å; L180-Y183 PolarHBondContact O-N 3.49Å; L180-Y183 VanDerWaalsContact O-N 3.14Å; L180-L184 WeakPolarHBondContact O-CB 3.31Å; L180-L184 VanDerWaalsContact O-CG 3.22Å; L180-L184 WeakPolarHBondContact O-CG 3.38Å; L180-L184 PolarHBondContact O-N 2.79Å
181	R	98.3	Very high	98	Very high	73 Å²	73	62 Å²	62	28%	0.275	32%	0.321	S	S	.	.	H	α-helix	trans	-59	-44	175.2	-174.9	171.5	176.5	-112.5	-20.5	112.1	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 3.98Å; L154-R181 HydrophobicContact CB-CG 3.72Å; L154-R181 HydrophobicContact CD1-CG 4.16Å; L154-R181 WeakPolarHBondContact O-CD 3.34Å; A177-R181 WeakPolarHBondContact O-CB 3.46Å; A177-R181 PolarHBondContact O-N 2.76Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 2.84Å; R181-L184 PolarHBondContact O-N 3.06Å; R181-E185 HydrophobicContact CG-CG 4.03Å; R181-E185 IonicContact CZ-OE1 3.27Å; R181-E185 IonicContact CZ-OE2 3.81Å; R181-E185 VanDerWaalsContact CZ-OE2 3.28Å; R181-E185 VanDerWaalsContact NE-CD 3.29Å; R181-E185 IonicContact NE-OE1 2.72Å; R181-E185 PolarHBondContact NE-OE1 3.15Å; R181-E185 IonicContact NE-OE2 2.74Å; R181-E185 PolarHBondContact NE-OE2 3.09Å; R181-E185 VanDerWaalsContact NH2-CD 3.27Å; R181-E185 IonicContact NH2-OE1 3.08Å; R181-E185 PolarHBondContact NH2-OE1 3.36Å; R181-E185 IonicContact NH2-OE2 3.44Å; R181-E185 PolarHBondContact NH2-OE2 2.82Å; R181-E185 WeakPolarHBondContact O-CB 3.49Å; R181-E185 WeakPolarHBondContact O-CG 3.14Å; R181-E185 PolarHBondContact O-N 2.94Å
182	A	98.3	Very high	98	Very high	67 Å²	67	59.5 Å²	59.5	55%	0.554	31%	0.312	S	S	*	.	H	α-helix	trans	-63.3	-34.8	175.7	0	0	0	0	0	113.1	E178 Q179 L180 G186	E178-A182 WeakPolarHBondContact O-CB 3.13Å; E178-A182 PolarHBondContact O-N 2.78Å; Q179-A182 PolarHBondContact O-N 3.2Å; L180-A182 PolarHBondContact O-N 3.45Å; A182-G186 PolarHBondContact O-N 3.17Å
183	Y	98	Very high	98	Very high	45 Å²	45	61 Å²	61	18%	0.176	31%	0.313	C	S	.	.	I	π-helix	trans	-68.8	-45.2	170.9	169.8	-100.7	0	0	0	112.2	Y123 Q179 L180 R181 G186 L187 C188	Y123-Y183 AromaticContact CD2-CE1 3.85Å; Y123-Y183 HydrophobicContact CD2-CE1 3.85Å; Y123-Y183 AromaticContact CE2-CE1 3.62Å; Y123-Y183 HydrophobicContact CE2-CE1 3.62Å; Y123-Y183 AromaticContact CE2-CZ 3.96Å; Q179-Y183 PolarHBondContact O-N 2.87Å; L180-Y183 WeakPolarHBondContact O-CB 3.34Å; L180-Y183 PolarHBondContact O-N 3.49Å; L180-Y183 VanDerWaalsContact O-N 3.14Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 2.84Å; Y183-G186 CarbonylContact O-C 3.58Å; Y183-L187 HydrophobicContact CD2-CB 3.76Å; Y183-L187 HydrophobicContact CD2-CD1 4.22Å; Y183-L187 HydrophobicContact CE2-CB 4Å; Y183-L187 PolarHBondContact O-N 2.94Å; Y183-L187 VanDerWaalsContact O-N 3.16Å; Y183-C188 HydrophobicContact CD1-CB 4.33Å; Y183-C188 HydrophobicContact CE1-CB 3.84Å; Y183-C188 HydrophobicContact CE2-CB 4.42Å; Y183-C188 WeakPolarHBondContact O-CB 3.28Å; Y183-C188 PolarHBondContact O-N 2.96Å
184	L	98.6	Very high	97.9	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.005	30%	0.3	C	S	.	.	I	π-helix	trans	-71.9	-42.9	-174.3	-70.5	171.4	0	0	0	112.9	G124 C125 L150 L154 L180 R181 C188	G124-L184 WeakPolarHBondContact O-CD2 3.29Å; C125-L184 HydrophobicContact CB-CD2 4.47Å; L150-L184 HydrophobicContact CD2-CD1 3.91Å; L154-L184 HydrophobicContact CD1-CB 4.43Å; L154-L184 HydrophobicContact CD2-CD1 3.99Å; L180-L184 WeakPolarHBondContact O-CB 3.31Å; L180-L184 VanDerWaalsContact O-CG 3.22Å; L180-L184 WeakPolarHBondContact O-CG 3.38Å; L180-L184 PolarHBondContact O-N 2.79Å; R181-L184 PolarHBondContact O-N 3.06Å; L184-C188 HydrophobicContact CD2-CB 4.47Å
185	E	98	Very high	97.9	Very high	90 Å²	90	59.9 Å²	59.9	42%	0.421	28%	0.279	S	S	.	.	I	π-helix	trans	-75.3	-25.2	177.3	-66.7	-178.1	160.1	0	0	113.1	L133 L154 R181	L133-E185 HydrophobicContact CD2-CG 3.81Å; L154-E185 HydrophobicContact CD1-CG 4.22Å; R181-E185 HydrophobicContact CG-CG 4.03Å; R181-E185 IonicContact CZ-OE1 3.27Å; R181-E185 IonicContact CZ-OE2 3.81Å; R181-E185 VanDerWaalsContact CZ-OE2 3.28Å; R181-E185 VanDerWaalsContact NE-CD 3.29Å; R181-E185 IonicContact NE-OE1 2.72Å; R181-E185 PolarHBondContact NE-OE1 3.15Å; R181-E185 IonicContact NE-OE2 2.74Å; R181-E185 PolarHBondContact NE-OE2 3.09Å; R181-E185 VanDerWaalsContact NH2-CD 3.27Å; R181-E185 IonicContact NH2-OE1 3.08Å; R181-E185 PolarHBondContact NH2-OE1 3.36Å; R181-E185 IonicContact NH2-OE2 3.44Å; R181-E185 PolarHBondContact NH2-OE2 2.82Å; R181-E185 WeakPolarHBondContact O-CB 3.49Å; R181-E185 WeakPolarHBondContact O-CG 3.14Å; R181-E185 PolarHBondContact O-N 2.94Å
186	G	97.9	Very high	97.8	Very high	23 Å²	23	53.3 Å²	53.3	24%	0.237	26%	0.255	C	S	.	.	I	π-helix	trans	-108.1	-96.2	-178.8	0	0	0	0	0	113.1	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.17Å; Y183-G186 CarbonylContact O-C 3.58Å; G186-C188 VanDerWaalsContact C-N 3.26Å; G186-C188 PolarHBondContact O-N 2.83Å; G186-C188 VanDerWaalsContact O-N 3.12Å; G186-V189 PolarHBondContact O-N 3.38Å; G186-E190 PolarHBondContact O-N 3.2Å
187	L	97.8	Very high	97.7	Very high	86 Å²	86	58.5 Å²	58.5	45%	0.45	28%	0.276	S	S	.	.	I	π-helix	trans	-53	-37.8	-169.1	-71.9	172.8	0	0	0	114	Y183 E190 W191	Y183-L187 HydrophobicContact CD2-CB 3.76Å; Y183-L187 HydrophobicContact CD2-CD1 4.22Å; Y183-L187 HydrophobicContact CE2-CB 4Å; Y183-L187 PolarHBondContact O-N 2.94Å; Y183-L187 VanDerWaalsContact O-N 3.16Å; L187-E190 PolarHBondContact O-N 2.96Å; L187-W191 PolarHBondContact O-N 3.03Å
188	C	98.5	Very high	97.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.286	C	S	.	.	I	π-helix	trans	-61.5	-49.8	179	-168.9	0	0	0	0	111	M29 C125 Y183 L184 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.16Å; M29-C188 WeakPolarHBondContact CE-O 3.29Å; M29-C188 WeakPolarHBondContact CE-SG 3.47Å; C125-C188 HydrophobicContact CB-CB 3.85Å; C125-C188 WeakPolarHBondContact CB-SG 3.43Å; C125-C188 PolarHBondContact N-SG 2.72Å; C125-C188 VanDerWaalsContact N-SG 3.38Å; C125-C188 WeakPolarHBondContact SG-CB 3.38Å; C125-C188 CovalentContact SG-SG 2.03Å; C125-C188 PolarHBondContact SG-SG 3.03Å; Y183-C188 HydrophobicContact CD1-CB 4.33Å; Y183-C188 HydrophobicContact CE1-CB 3.84Å; Y183-C188 HydrophobicContact CE2-CB 4.42Å; Y183-C188 WeakPolarHBondContact O-CB 3.28Å; Y183-C188 PolarHBondContact O-N 2.96Å; L184-C188 HydrophobicContact CD2-CB 4.47Å; G186-C188 VanDerWaalsContact C-N 3.26Å; G186-C188 PolarHBondContact O-N 2.83Å; G186-C188 VanDerWaalsContact O-N 3.12Å; C188-E190 PolarHBondContact O-N 2.72Å; C188-W191 PolarHBondContact O-N 2.97Å; C188-L192 WeakPolarHBondContact O-CB 3.33Å; C188-L192 PolarHBondContact O-N 2.88Å
189	V	98.4	Very high	97.5	Very high	7 Å²	7	55.6 Å²	55.6	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-63.3	-40.2	176	174.2	0	0	0	0	111.8	V127 G131 L133 G186 R193	V127-V189 HydrophobicContact CG1-CB 4.39Å; V127-V189 HydrophobicContact CG1-CG1 4.06Å; V127-V189 HydrophobicContact CG1-CG2 3.84Å; G131-V189 VanDerWaalsContact O-CG1 3.31Å; G131-V189 WeakPolarHBondContact O-CG1 3.37Å; L133-V189 HydrophobicContact CB-CG2 4.01Å; L133-V189 HydrophobicContact CD1-CG2 3.94Å; G186-V189 PolarHBondContact O-N 3.38Å; V189-R193 HydrophobicContact CG1-CG 4.38Å; V189-R193 VanDerWaalsContact CG1-NE 3.35Å; V189-R193 WeakPolarHBondContact O-CB 3.14Å; V189-R193 WeakPolarHBondContact O-CG 3.21Å; V189-R193 PolarHBondContact O-N 2.85Å
190	E	98.2	Very high	97.4	Very high	116 Å²	116	55.6 Å²	55.6	54%	0.542	26%	0.262	S	S	.	.	H	α-helix	trans	-62.9	-45.9	177.5	-69.6	178.8	169.9	0	0	112.7	G186 L187 C188 R194	G186-E190 PolarHBondContact O-N 3.2Å; L187-E190 PolarHBondContact O-N 2.96Å; C188-E190 PolarHBondContact O-N 2.72Å; E190-R194 WeakPolarHBondContact O-CB 3.37Å; E190-R194 PolarHBondContact O-N 2.77Å
191	W	98.1	Very high	97	Very high	41 Å²	41	62.9 Å²	62.9	16%	0.155	30%	0.296	C	S	.	.	H	α-helix	trans	-70.2	-40.4	178.2	-78.8	99.7	0	0	0	112	M29 Y83 L187 C188 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.13Å; M29-W191 HydrophobicContact SD-CB 4.4Å; Y83-W191 HydrophobicContact CD2-CE3 4.49Å; Y83-W191 AromaticContact CD2-CH2 3.7Å; Y83-W191 HydrophobicContact CD2-CH2 3.7Å; Y83-W191 HydrophobicContact CD2-CZ2 4.45Å; Y83-W191 AromaticContact CD2-CZ3 3.71Å; Y83-W191 HydrophobicContact CD2-CZ3 3.71Å; Y83-W191 HydrophobicContact CE2-CE3 4.19Å; Y83-W191 HydrophobicContact CE2-CH2 4.21Å; Y83-W191 AromaticContact CE2-CZ3 3.82Å; Y83-W191 HydrophobicContact CE2-CZ3 3.82Å; L187-W191 PolarHBondContact O-N 3.03Å; C188-W191 PolarHBondContact O-N 2.97Å; W191-R194 WeakPolarHBondContact O-CB 3.42Å; W191-R194 PolarHBondContact O-N 2.7Å; W191-Y195 HydrophobicContact CB-CE2 4.08Å; W191-Y195 AromaticContact CE3-CE1 3.62Å; W191-Y195 HydrophobicContact CE3-CE1 3.62Å; W191-Y195 AromaticContact CE3-CZ 3.6Å; W191-Y195 VanDerWaalsContact CE3-OH 3.32Å; W191-Y195 HydrophobicContact CZ3-CE1 4.13Å; W191-Y195 VanDerWaalsContact O-CD2 3.26Å; W191-Y195 WeakPolarHBondContact O-CD2 3.05Å; W191-Y195 PolarHBondContact O-N 3.06Å
192	L	98.4	Very high	96.6	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.1	-48.8	173.7	175.2	51.6	0	0	0	111.6	H27 M29 V52 V127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.48Å; M29-L192 HydrophobicContact CB-CB 4.01Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 4.09Å; M29-L192 HydrophobicContact CB-CG 4.26Å; M29-L192 HydrophobicContact CE-CB 4.42Å; V52-L192 HydrophobicContact CG1-CD1 3.59Å; V52-L192 HydrophobicContact CG2-CD1 4.23Å; V127-L192 HydrophobicContact CB-CD2 4.4Å; V127-L192 HydrophobicContact CG1-CD2 3.99Å; V127-L192 HydrophobicContact CG2-CD2 3.63Å; V127-L192 HydrophobicContact CG2-CG 4.21Å; C188-L192 WeakPolarHBondContact O-CB 3.33Å; C188-L192 PolarHBondContact O-N 2.88Å; L192-R194 VanDerWaalsContact C-N 3.28Å; L192-R194 PolarHBondContact O-N 2.76Å; L192-Y195 PolarHBondContact O-N 3.36Å; L192-Y195 VanDerWaalsContact O-N 3.16Å; L192-L196 HydrophobicContact CD1-CD1 3.74Å; L192-L196 HydrophobicContact CD1-CD2 4.34Å; L192-L196 HydrophobicContact CD1-CG 3.8Å; L192-L196 HydrophobicContact CG-CD1 3.93Å; L192-L196 HydrophobicContact CG-CG 4.44Å; L192-L196 WeakPolarHBondContact O-CB 3.39Å; L192-L196 VanDerWaalsContact O-CG 3.31Å; L192-L196 WeakPolarHBondContact O-CG 3.32Å; L192-L196 PolarHBondContact O-N 2.95Å
193	R	97	Very high	96.3	Very high	120 Å²	120	58.7 Å²	58.7	45%	0.453	27%	0.271	S	S	.	.	H	α-helix	trans	-58.3	-37.8	174.7	-72.5	170.4	-179.7	-177.1	2.1	112.8	G131 V189 K197	G131-R193 VanDerWaalsContact C-NH2 3.34Å; G131-R193 PolarHBondContact O-NE 3Å; G131-R193 PolarHBondContact O-NH2 3.18Å; V189-R193 HydrophobicContact CG1-CG 4.38Å; V189-R193 VanDerWaalsContact CG1-NE 3.35Å; V189-R193 WeakPolarHBondContact O-CB 3.14Å; V189-R193 WeakPolarHBondContact O-CG 3.21Å; V189-R193 PolarHBondContact O-N 2.85Å; R193-K197 WeakPolarHBondContact O-CB 3.29Å; R193-K197 PolarHBondContact O-N 3.12Å; R193-K197 VanDerWaalsContact O-N 3.12Å
194	R	97.2	Very high	95.9	Very high	117 Å²	117	61 Å²	61	44%	0.442	28%	0.284	S	S	.	.	H	α-helix	trans	-65.8	-45.8	175.1	179.5	176.9	175	119.5	-3.3	111.3	E79 E190 W191 L192 K197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.3Å; E79-R194 IonicContact OE1-CZ 3.16Å; E79-R194 IonicContact OE1-NE 2.76Å; E79-R194 PolarHBondContact OE1-NE 2.84Å; E79-R194 IonicContact OE1-NH2 2.95Å; E79-R194 PolarHBondContact OE1-NH2 2.98Å; E79-R194 VanDerWaalsContact OE1-NH2 3.13Å; E79-R194 IonicContact OE2-CZ 3.52Å; E79-R194 IonicContact OE2-NE 2.7Å; E79-R194 PolarHBondContact OE2-NE 2.86Å; E79-R194 IonicContact OE2-NH2 2.67Å; E79-R194 PolarHBondContact OE2-NH2 2.81Å; E190-R194 WeakPolarHBondContact O-CB 3.37Å; E190-R194 PolarHBondContact O-N 2.77Å; W191-R194 WeakPolarHBondContact O-CB 3.42Å; W191-R194 PolarHBondContact O-N 2.7Å; L192-R194 VanDerWaalsContact C-N 3.28Å; L192-R194 PolarHBondContact O-N 2.76Å; R194-K197 PolarHBondContact O-N 2.92Å; R194-N198 WeakPolarHBondContact O-CB 3.01Å; R194-N198 PolarHBondContact O-N 3.07Å; R194-N198 PolarHBondContact O-OD1 2.86Å; R194-N198 VanDerWaalsContact O-OD1 3.13Å
195	Y	97.6	Very high	95.5	Very high	1 Å²	1	64.9 Å²	64.9	0%	0.004	30%	0.298	C	S	.	.	H	α-helix	trans	-65.7	-43.5	178.5	-61.3	-29	0	0	0	112.6	M29 V52 F57 W75 V76 Y83 W191 L192 K197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.8Å; M29-Y195 HydrophobicContact SD-CE2 3.52Å; M29-Y195 VanDerWaalsContact SD-CE2 3.52Å; V52-Y195 HydrophobicContact CG2-CD2 3.75Å; V52-Y195 HydrophobicContact CG2-CG 4.32Å; F57-Y195 HydrophobicContact CD2-CE2 4.44Å; F57-Y195 HydrophobicContact CE1-CE2 4.39Å; F57-Y195 HydrophobicContact CE2-CD2 4.38Å; F57-Y195 AromaticContact CE2-CE2 3.66Å; F57-Y195 HydrophobicContact CE2-CE2 3.66Å; F57-Y195 AromaticContact CE2-CZ 3.84Å; F57-Y195 HydrophobicContact CZ-CD2 4.26Å; F57-Y195 AromaticContact CZ-CE2 3.63Å; F57-Y195 HydrophobicContact CZ-CE2 3.63Å; W75-Y195 HydrophobicContact CE3-CD1 4.23Å; W75-Y195 HydrophobicContact CE3-CG 4.39Å; W75-Y195 HydrophobicContact CH2-CD2 4.4Å; W75-Y195 HydrophobicContact CH2-CG 4.04Å; W75-Y195 VanDerWaalsContact CZ3-CB 3.49Å; W75-Y195 AromaticContact CZ3-CD1 3.58Å; W75-Y195 HydrophobicContact CZ3-CD1 3.58Å; W75-Y195 HydrophobicContact CZ3-CD2 4.19Å; W75-Y195 HydrophobicContact CZ3-CE1 4.35Å; W75-Y195 AromaticContact CZ3-CG 3.49Å; W75-Y195 HydrophobicContact CZ3-CG 3.49Å; W75-Y195 VanDerWaalsContact CZ3-CG 3.49Å; V76-Y195 HydrophobicContact CG2-CE1 4.23Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.28Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.37Å; Y83-Y195 PolarHBondContact OH-OH 2.97Å; W191-Y195 HydrophobicContact CB-CE2 4.08Å; W191-Y195 AromaticContact CE3-CE1 3.62Å; W191-Y195 HydrophobicContact CE3-CE1 3.62Å; W191-Y195 AromaticContact CE3-CZ 3.6Å; W191-Y195 VanDerWaalsContact CE3-OH 3.32Å; W191-Y195 HydrophobicContact CZ3-CE1 4.13Å; W191-Y195 VanDerWaalsContact O-CD2 3.26Å; W191-Y195 WeakPolarHBondContact O-CD2 3.05Å; W191-Y195 PolarHBondContact O-N 3.06Å; L192-Y195 PolarHBondContact O-N 3.36Å; L192-Y195 VanDerWaalsContact O-N 3.16Å; Y195-K197 VanDerWaalsContact C-N 3.27Å; Y195-K197 PolarHBondContact O-N 3.39Å; Y195-N198 PolarHBondContact O-N 3.43Å; Y195-N198 VanDerWaalsContact O-N 3.15Å; Y195-G199 PolarHBondContact O-N 3.36Å; Y195-L203 WeakPolarHBondContact O-CD1 3.42Å
196	L	96.3	Very high	95.2	Very high	11 Å²	11	62.6 Å²	62.6	6%	0.058	30%	0.295	C	S	.	.	H	α-helix	trans	-59.9	-35.9	173.8	-68.9	169.6	0	0	0	112.6	H27 V52 L192 K200 L203	H27-L196 HydrophobicContact CB-CD1 3.69Å; H27-L196 HydrophobicContact CB-CD2 4.06Å; H27-L196 HydrophobicContact CB-CG 4.47Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.17Å; V52-L196 HydrophobicContact CG1-CD2 4.01Å; L192-L196 HydrophobicContact CD1-CD1 3.74Å; L192-L196 HydrophobicContact CD1-CD2 4.34Å; L192-L196 HydrophobicContact CD1-CG 3.8Å; L192-L196 HydrophobicContact CG-CD1 3.93Å; L192-L196 HydrophobicContact CG-CG 4.44Å; L192-L196 WeakPolarHBondContact O-CB 3.39Å; L192-L196 VanDerWaalsContact O-CG 3.31Å; L192-L196 WeakPolarHBondContact O-CG 3.32Å; L192-L196 PolarHBondContact O-N 2.95Å; L196-K200 WeakPolarHBondContact O-CA 3.39Å; L196-K200 PolarHBondContact O-N 2.84Å; L196-L203 HydrophobicContact CD2-CB 4.08Å; L196-L203 HydrophobicContact CD2-CD1 4.25Å
197	K	95.9	Very high	95	Very high	169 Å²	169	64.2 Å²	64.2	74%	0.735	30%	0.296	S	S	*	.	H	α-helix	trans	-70.3	-43.6	172.9	-178.8	179.9	175.3	-177	0	112.4	R193 R194 Y195	R193-K197 WeakPolarHBondContact O-CB 3.29Å; R193-K197 PolarHBondContact O-N 3.12Å; R193-K197 VanDerWaalsContact O-N 3.12Å; R194-K197 PolarHBondContact O-N 2.92Å; Y195-K197 VanDerWaalsContact C-N 3.27Å; Y195-K197 PolarHBondContact O-N 3.39Å
198	N	96.4	Very high	94.9	Very high	46 Å²	46	65.1 Å²	65.1	25%	0.246	30%	0.298	C	S	.	.	H	α-helix	trans	-67.7	-47.1	-178.8	-70.1	1.8	0	0	0	111.7	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.27Å; Q78-N198 PolarHBondContact NE2-ND2 2.88Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.11Å; Q78-N198 PolarHBondContact NE2-OD1 2.87Å; E79-N198 PolarHBondContact OE1-ND2 2.89Å; E79-N198 VanDerWaalsContact OE1-ND2 3.13Å; R194-N198 WeakPolarHBondContact O-CB 3.01Å; R194-N198 PolarHBondContact O-N 3.07Å; R194-N198 PolarHBondContact O-OD1 2.86Å; R194-N198 VanDerWaalsContact O-OD1 3.13Å; Y195-N198 PolarHBondContact O-N 3.43Å; Y195-N198 VanDerWaalsContact O-N 3.15Å
199	G	95.4	Very high	94.8	Very high	3 Å²	3	65.5 Å²	65.5	3%	0.031	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	25.7	-175.4	0	0	0	0	0	113.9	Y195 E201 T202 L203	Y195-G199 PolarHBondContact O-N 3.36Å; G199-E201 VanDerWaalsContact C-N 3.27Å; G199-E201 PolarHBondContact O-N 2.88Å; G199-E201 VanDerWaalsContact O-N 3.17Å; G199-T202 PolarHBondContact O-N 2.87Å; G199-T202 PolarHBondContact O-OG1 3.33Å; G199-L203 WeakPolarHBondContact O-CB 3.5Å; G199-L203 WeakPolarHBondContact O-CG 3.32Å; G199-L203 PolarHBondContact O-N 2.87Å
200	K	93.1	Very high	94.8	Very high	125 Å²	125	72 Å²	72	54%	0.543	33%	0.328	S	S	.	.	H	α-helix	trans	-49.4	-46.8	-171.9	-178.2	173.6	-177	-172.8	0	113	L196 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.39Å; L196-K200 PolarHBondContact O-N 2.84Å; K200-T202 PolarHBondContact O-N 3.14Å; K200-Q204 VanDerWaalsContact CE-OE1 3.28Å; K200-Q204 HydrophobicContact CG-CB 4.18Å; K200-Q204 HydrophobicContact CG-CG 4.41Å; K200-Q204 WeakPolarHBondContact O-CA 3.49Å; K200-Q204 WeakPolarHBondContact O-CB 3.32Å; K200-Q204 PolarHBondContact O-N 2.83Å
201	E	90.6	Very high	94.8	Very high	180 Å²	180	68 Å²	68	84%	0.841	31%	0.312	S	S	*	.	H	α-helix	trans	-65.8	-18.1	-177.6	-59.9	-179.5	167.9	0	0	113.7	G199 R205	G199-E201 VanDerWaalsContact C-N 3.27Å; G199-E201 PolarHBondContact O-N 2.88Å; G199-E201 VanDerWaalsContact O-N 3.17Å; E201-R205 WeakPolarHBondContact O-CD 3.25Å
202	T	90.2	Very high	94.7	Very high	46 Å²	46	70 Å²	70	28%	0.282	32%	0.322	S	S	.	.	H	α-helix	trans	-110.4	-26.9	-179.2	49.9	0	0	0	0	114.4	W75 G199 K200 R205	W75-T202 PolarHBondContact NE1-OG1 3.16Å; G199-T202 PolarHBondContact O-N 2.87Å; G199-T202 PolarHBondContact O-OG1 3.33Å; K200-T202 PolarHBondContact O-N 3.14Å; T202-R205 WeakPolarHBondContact O-CG 3.43Å; T202-R205 PolarHBondContact O-NE 3.02Å; T202-R205 VanDerWaalsContact O-NE 3.12Å
203	L	91.8	Very high	94.7	Very high	5 Å²	5	71 Å²	71	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-104.1	-30.7	-174.2	-60.5	173	0	0	0	112.7	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.36Å; V52-L203 HydrophobicContact CB-CD2 4.26Å; V52-L203 HydrophobicContact CG1-CD1 3.89Å; V52-L203 HydrophobicContact CG1-CD2 4.11Å; T55-L203 HydrophobicContact CG2-CD2 4.01Å; W75-L203 HydrophobicContact CD2-CD1 4.37Å; W75-L203 HydrophobicContact CH2-CD1 4.31Å; W75-L203 HydrophobicContact CZ2-CD1 3.74Å; W75-L203 HydrophobicContact CZ2-CD2 4.02Å; W75-L203 HydrophobicContact CZ2-CG 4.3Å; Y195-L203 WeakPolarHBondContact O-CD1 3.42Å; L196-L203 HydrophobicContact CD2-CB 4.08Å; L196-L203 HydrophobicContact CD2-CD1 4.25Å; G199-L203 WeakPolarHBondContact O-CB 3.5Å; G199-L203 WeakPolarHBondContact O-CG 3.32Å; G199-L203 PolarHBondContact O-N 2.87Å; L203-R205 VanDerWaalsContact C-N 3.35Å
204	Q	89	Confident	94.7	Very high	95 Å²	95	66.9 Å²	66.9	44%	0.444	32%	0.317	S	S	.	.	S	Bend	trans	-103.2	33.3	176.3	-58.6	-174.8	-12.3	0	0	111.2	K200	K200-Q204 VanDerWaalsContact CE-OE1 3.28Å; K200-Q204 HydrophobicContact CG-CB 4.18Å; K200-Q204 HydrophobicContact CG-CG 4.41Å; K200-Q204 WeakPolarHBondContact O-CA 3.49Å; K200-Q204 WeakPolarHBondContact O-CB 3.32Å; K200-Q204 PolarHBondContact O-N 2.83Å
205	R	89.9	Confident	94.6	Very high	82 Å²	82	64 Å²	64	31%	0.309	31%	0.308	S	S	.	.			trans	-107.3	146.5	169.5	71.8	-176	175.9	165	14.3	108.4	E201 T202 L203 E207 Y233	E201-R205 WeakPolarHBondContact O-CD 3.25Å; T202-R205 WeakPolarHBondContact O-CG 3.43Å; T202-R205 PolarHBondContact O-NE 3.02Å; T202-R205 VanDerWaalsContact O-NE 3.12Å; L203-R205 VanDerWaalsContact C-N 3.35Å; R205-E207 IonicContact CZ-OE1 2.75Å; R205-E207 IonicContact NE-OE1 2.85Å; R205-E207 PolarHBondContact NE-OE1 2.91Å; R205-E207 IonicContact NH1-OE1 3.81Å; R205-E207 PolarHBondContact NH1-OE1 3.08Å; R205-E207 IonicContact NH2-OE1 3.55Å; R205-E207 PolarHBondContact NH2-OE1 3.45Å; R205-Y233 HydrophobicContact CG-CD1 4.12Å; R205-Y233 HydrophobicContact CG-CE1 4.47Å; R205-Y233 WeakPolarHBondContact O-CD1 3.43Å
206	A	91.4	Very high	94.5	Very high	42 Å²	42	67.5 Å²	67.5	35%	0.347	33%	0.325	S	S	.	.			trans	-116.7	127.4	160.2	0	0	0	0	0	108.2	Y233 G289	A206-Y233 CarbonylContact C-O 3.53Å; A206-Y233 VanDerWaalsContact CA-O 3.29Å; A206-Y233 WeakPolarHBondContact CA-O 3.49Å; A206-G289 VanDerWaalsContact CB-CA 3.45Å
207	E	94.1	Very high	94.4	Very high	57 Å²	57	71.9 Å²	71.9	27%	0.266	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-102.1	118.4	173.7	-67.3	-170.7	-132.6	0	0	108.3	R205 F232 Y233 H287	R205-E207 IonicContact CZ-OE1 2.75Å; R205-E207 IonicContact NE-OE1 2.85Å; R205-E207 PolarHBondContact NE-OE1 2.91Å; R205-E207 IonicContact NH1-OE1 3.81Å; R205-E207 PolarHBondContact NH1-OE1 3.08Å; R205-E207 IonicContact NH2-OE1 3.55Å; R205-E207 PolarHBondContact NH2-OE1 3.45Å; E207-F232 WeakPolarHBondContact O-CA 3.37Å; E207-F232 VanDerWaalsContact O-CB 3.28Å; E207-F232 WeakPolarHBondContact O-CB 3.42Å; E207-Y233 PolarHBondContact N-O 3.33Å; E207-Y233 PolarHBondContact O-N 3.06Å; E207-Y233 VanDerWaalsContact O-N 3.13Å; E207-H287 PolarHBondContact O-CE1 2.71Å; E207-H287 VanDerWaalsContact O-CE1 3.22Å
208	H	95	Very high	94.2	Very high	104 Å²	104	68.2 Å²	68.2	48%	0.481	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-67.4	143.3	-177	-47.3	-95.5	0	0	0	111.7	K210 G289 L290	H208-K210 PolarHBondContact O-N 3.4Å; H208-G289 PolarHBondContact CE1-O 3.17Å; H208-G289 VanDerWaalsContact ND1-C 3.26Å; H208-G289 PolarHBondContact ND1-O 2.65Å; H208-L290 HydrophobicContact CB-CD2 4.15Å
209	P	97.5	Very high	94	Very high	8 Å²	8	68.4 Å²	68.4	5%	0.052	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-64.9	129.1	174.7	28	-35.9	0	0	0	112.1	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.9Å; P209-T211 HydrophobicContact CG-CG2 4.11Å; P209-T211 PolarHBondContact O-N 3.49Å; P209-A229 HydrophobicContact CB-CB 3.81Å; P209-F232 HydrophobicContact CB-CB 3.99Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.23Å; P209-I237 HydrophobicContact CB-CD1 3.81Å; P209-I237 HydrophobicContact CG-CD1 3.94Å; P209-V285 HydrophobicContact CG-CG1 3.92Å; P209-H287 HydrophobicContact CG-CB 4.15Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CD2 4.39Å; P209-L290 HydrophobicContact CG-CG 4.2Å
210	K	97.8	Very high	93.7	Very high	143 Å²	143	75.3 Å²	75.3	62%	0.622	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	99.2	167.7	-64.6	157.2	-170.6	151.8	0	107.6	H208 L230	H208-K210 PolarHBondContact O-N 3.4Å; K210-L230 WeakPolarHBondContact CB-O 3.28Å; K210-L230 PolarHBondContact N-O 3.14Å; K210-L230 PolarHBondContact O-N 2.82Å
211	T	97.8	Very high	93.6	Very high	34 Å²	34	76.2 Å²	76.2	21%	0.209	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	143	-170	56.3	0	0	0	0	113.8	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.9Å; P209-T211 HydrophobicContact CG-CG2 4.11Å; P209-T211 PolarHBondContact O-N 3.49Å; T211-W228 WeakPolarHBondContact CA-O 3.37Å; T211-A229 HydrophobicContact CG2-CB 4.33Å; T211-V285 HydrophobicContact CG2-CB 4.36Å; T211-V285 HydrophobicContact CG2-CG1 4.08Å; T211-V285 HydrophobicContact CG2-CG2 4.02Å; T211-L294 HydrophobicContact CG2-CD1 4.27Å; T211-L296 HydrophobicContact CG2-CD1 4.12Å
212	H	97.1	Very high	93.9	Very high	81 Å²	81	72.1 Å²	72.1	38%	0.375	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	161	170.8	63.6	-72.7	0	0	0	111.2	W228	H212-W228 AromaticContact CE1-CD1 3.96Å; H212-W228 AromaticContact CE1-CG 3.75Å; H212-W228 PolarHBondContact N-O 2.82Å; H212-W228 AromaticContact NE2-CD1 3.6Å; H212-W228 AromaticContact NE2-CG 3.85Å; H212-W228 PolarHBondContact O-N 3Å
213	V	98	Very high	94.1	Very high	22 Å²	22	70 Å²	70	13%	0.133	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.8	175.6	179.5	0	0	0	0	109.7	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.32Å; V213-L225 HydrophobicContact CG1-CD2 4.4Å; V213-R226 CarbonylContact C-O 3.57Å; V213-R226 WeakPolarHBondContact CA-O 3.4Å; V213-C227 HydrophobicContact CG2-CB 4.33Å; V213-W241 HydrophobicContact CG1-CH2 3.83Å; V213-W241 HydrophobicContact CG1-CZ2 4.24Å; V213-W241 HydrophobicContact CG2-CH2 4.18Å; V213-L296 HydrophobicContact CG2-CB 4.07Å; V213-W298 HydrophobicContact CB-CB 4.47Å; V213-W298 HydrophobicContact CG1-CB 3.85Å
214	T	96.7	Very high	94.4	Very high	34 Å²	34	70.9 Å²	70.9	21%	0.209	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	144.1	170.8	61.1	0	0	0	0	110.8	H216 L225 R226 W228	T214-H216 WeakPolarHBondContact CB-NE2 3.45Å; T214-H216 PolarHBondContact OG1-NE2 3.16Å; T214-L225 WeakPolarHBondContact O-CA 3.31Å; T214-R226 PolarHBondContact N-O 3.43Å; T214-R226 PolarHBondContact O-N 3.44Å; T214-W228 PolarHBondContact OG1-NE1 3.25Å; T214-W228 VanDerWaalsContact OG1-NE1 3.15Å
215	H	95.8	Very high	94.8	Very high	55 Å²	55	66.4 Å²	66.4	26%	0.255	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	130.7	179.3	165.3	-90.7	0	0	0	109.7	A223 L225 W298	H215-A223 VanDerWaalsContact NE2-CB 3.29Å; H215-A223 WeakPolarHBondContact NE2-CB 3.48Å; H215-L225 HydrophobicContact CB-CD2 3.92Å; H215-W298 HydrophobicContact CB-CD2 3.97Å; H215-W298 HydrophobicContact CB-CG 4.02Å; H215-W298 HydrophobicContact CB-CZ2 4.05Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.81Å; H215-W298 AromaticContact ND1-CZ2 3.89Å
216	H	94.8	Very high	95.2	Very high	76 Å²	76	64.6 Å²	64.6	35%	0.352	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	105.6	-177	-52.4	-76.2	0	0	0	109.7	T214 V218 A223 T224	T214-H216 WeakPolarHBondContact CB-NE2 3.45Å; T214-H216 PolarHBondContact OG1-NE2 3.16Å; H216-V218 PolarHBondContact O-N 2.91Å; H216-A223 CarbonylContact O-C 3.53Å; H216-A223 WeakPolarHBondContact O-CA 3.39Å; H216-T224 PolarHBondContact N-O 3.18Å; H216-T224 PolarHBondContact O-N 3.21Å
217	P	93.6	Very high	95.5	Very high	102 Å²	102	62.6 Å²	62.6	66%	0.662	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.7	135.3	173.6	-23	32.9	0	0	0	111.4
218	V	91.4	Very high	95.7	Very high	92 Å²	92	62.4 Å²	62.4	56%	0.558	32%	0.318	S	S	*	.			trans	-109.8	-40.2	176.3	-178.6	0	0	0	0	110.1	H216 E222 T224	H216-V218 PolarHBondContact O-N 2.91Å; V218-E222 PolarHBondContact N-O 3.09Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.5Å
219	S	92.1	Very high	95.9	Very high	51 Å²	51	57.4 Å²	57.4	36%	0.357	30%	0.296	S	S	.	.	S	Bend	trans	-146.7	-177.6	172.6	72	0	0	0	0	110.3	H221 E222	S219-H221 PolarHBondContact O-N 2.78Å; S219-H221 PolarHBondContact OG-N 2.65Å; S219-H221 VanDerWaalsContact OG-N 3.1Å; S219-E222 PolarHBondContact N-O 2.99Å; S219-E222 PolarHBondContact OG-N 2.77Å; S219-E222 VanDerWaalsContact OG-N 3.14Å
220	D	89.3	Confident	95.9	Very high	148 Å²	148	59.7 Å²	59.7	79%	0.791	31%	0.307	S	S	*	.	S	Bend	trans	-63.9	-16.9	170.3	-63.3	-32.5	0	0	0	112.5	S275	D220-S275 PolarHBondContact O-OG 3.37Å
221	H	92.6	Very high	95.9	Very high	143 Å²	143	53.5 Å²	53.5	66%	0.662	28%	0.283	S	S	*	.	S	Bend	trans	-110	-15.8	-173.7	-53.6	-33.9	0	0	0	114.1	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.78Å; S219-H221 PolarHBondContact OG-N 2.65Å; S219-H221 VanDerWaalsContact OG-N 3.1Å; H221-P274 WeakPolarHBondContact O-CA 3.48Å; H221-S275 WeakPolarHBondContact CA-OG 3.3Å; H221-S275 PolarHBondContact O-N 2.76Å; H221-S275 PolarHBondContact O-OG 3.37Å
222	E	95	Very high	95.8	Very high	94 Å²	94	51.9 Å²	51.9	44%	0.439	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	141	-170.4	-66.6	176	170.2	0	0	112.2	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 3.09Å; S219-E222 PolarHBondContact N-O 2.99Å; S219-E222 PolarHBondContact OG-N 2.77Å; S219-E222 VanDerWaalsContact OG-N 3.14Å; E222-V272 HydrophobicContact CB-CG1 4.09Å; E222-V272 HydrophobicContact CG-CG1 4.31Å; E222-V273 WeakPolarHBondContact CA-O 3.47Å; E222-S275 PolarHBondContact N-OG 2.83Å
223	A	95.5	Very high	95.8	Very high	2 Å²	2	48.2 Å²	48.2	2%	0.017	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	156.7	169.9	0	0	0	0	0	111.1	H215 H216 V272 V273	H215-A223 VanDerWaalsContact NE2-CB 3.29Å; H215-A223 WeakPolarHBondContact NE2-CB 3.48Å; H216-A223 CarbonylContact O-C 3.53Å; H216-A223 WeakPolarHBondContact O-CA 3.39Å; A223-V272 WeakPolarHBondContact O-CA 3.49Å; A223-V273 HydrophobicContact CB-CG2 4.45Å; A223-V273 PolarHBondContact N-O 3.08Å; A223-V273 PolarHBondContact O-N 3.06Å
224	T	97.1	Very high	95.6	Very high	24 Å²	24	48.1 Å²	48.1	15%	0.147	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	120.3	167.8	-51.6	0	0	0	0	109.7	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 3.18Å; H216-T224 PolarHBondContact O-N 3.21Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.5Å; T224-A270 HydrophobicContact CG2-CB 3.9Å; T224-V271 WeakPolarHBondContact CA-O 3.39Å
225	L	97.8	Very high	95.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	130.8	162.3	-61.9	-175.9	0	0	0	108.8	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.32Å; V213-L225 HydrophobicContact CG1-CD2 4.4Å; T214-L225 WeakPolarHBondContact O-CA 3.31Å; H215-L225 HydrophobicContact CB-CD2 3.92Å; L225-W241 HydrophobicContact CB-CH2 3.67Å; L225-W241 HydrophobicContact CB-CZ2 3.74Å; L225-W241 HydrophobicContact CD1-CH2 3.89Å; L225-W241 HydrophobicContact CD1-CZ3 4.09Å; L225-W241 HydrophobicContact CG-CH2 4.43Å; L225-A270 CarbonylContact O-C 3.55Å; L225-A270 WeakPolarHBondContact O-CA 3.48Å; L225-A270 WeakPolarHBondContact O-CB 3.37Å; L225-V271 HydrophobicContact CB-CG2 4.22Å; L225-V271 PolarHBondContact N-O 3.36Å; L225-V271 PolarHBondContact O-N 2.9Å; L225-V273 HydrophobicContact CD1-CG1 4.03Å; L225-V273 HydrophobicContact CD1-CG2 4.18Å; L225-V273 HydrophobicContact CG-CG1 4.1Å; L225-V273 HydrophobicContact CG-CG2 3.88Å; L225-E278 HydrophobicContact CD1-CB 4.14Å; L225-E278 HydrophobicContact CD2-CB 4.42Å; L225-E278 HydrophobicContact CD2-CG 4.43Å; L225-W298 HydrophobicContact CD1-CB 4.48Å; L225-W298 HydrophobicContact CD2-CB 3.84Å; L225-W298 HydrophobicContact CD2-CD2 4.43Å; L225-W298 HydrophobicContact CD2-CG 4.06Å
226	R	98.1	Very high	95.6	Very high	44 Å²	44	49.4 Å²	49.4	17%	0.166	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	113.3	175.2	-178.8	174	-73	101.9	3.7	110.2	V213 T214 W228 E253 W268 A270	V213-R226 CarbonylContact C-O 3.57Å; V213-R226 WeakPolarHBondContact CA-O 3.4Å; T214-R226 PolarHBondContact N-O 3.43Å; T214-R226 PolarHBondContact O-N 3.44Å; R226-W228 VanDerWaalsContact CD-CZ2 3.49Å; R226-W228 HydrophobicContact CG-CZ2 4.38Å; R226-E253 IonicContact NH2-OE2 2.76Å; R226-E253 PolarHBondContact NH2-OE2 3.16Å; R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.02Å; R226-W268 HydrophobicContact CG-CE3 3.79Å; R226-W268 HydrophobicContact CG-CG 4.18Å; R226-A270 HydrophobicContact CB-CB 3.94Å; R226-A270 HydrophobicContact CG-CB 4.07Å
227	C	98.3	Very high	95.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	122.9	173.8	-174.3	0	0	0	0	109.4	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.33Å; C227-W241 HydrophobicContact CB-CH2 4.45Å; C227-W241 HydrophobicContact CB-CZ2 3.61Å; C227-W268 CarbonylContact O-C 3.53Å; C227-W268 WeakPolarHBondContact O-CA 3.31Å; C227-W268 WeakPolarHBondContact O-CB 3.41Å; C227-A269 PolarHBondContact N-O 3Å; C227-A269 PolarHBondContact O-N 3.04Å; C227-C283 HydrophobicContact CB-CB 3.47Å; C227-C283 VanDerWaalsContact CB-CB 3.47Å; C227-C283 WeakPolarHBondContact CB-SG 3.48Å; C227-C283 WeakPolarHBondContact SG-CB 3.39Å; C227-C283 CovalentContact SG-SG 2.02Å; C227-C283 PolarHBondContact SG-SG 2.89Å
228	W	98.4	Very high	95.8	Very high	53 Å²	53	44.1 Å²	44.1	20%	0.201	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	143.1	179.3	-66.8	87.3	0	0	0	111	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.37Å; H212-W228 AromaticContact CE1-CD1 3.96Å; H212-W228 AromaticContact CE1-CG 3.75Å; H212-W228 PolarHBondContact N-O 2.82Å; H212-W228 AromaticContact NE2-CD1 3.6Å; H212-W228 AromaticContact NE2-CG 3.85Å; H212-W228 PolarHBondContact O-N 3Å; T214-W228 PolarHBondContact OG1-NE1 3.25Å; T214-W228 VanDerWaalsContact OG1-NE1 3.15Å; R226-W228 VanDerWaalsContact CD-CZ2 3.49Å; R226-W228 HydrophobicContact CG-CZ2 4.38Å; W228-L230 HydrophobicContact CE3-CD2 4Å; W228-W268 HydrophobicContact CD2-CB 4Å; W228-W268 HydrophobicContact CD2-CG 4.4Å; W228-W268 HydrophobicContact CE3-CB 3.91Å; W228-W268 AromaticContact CE3-CD1 3.7Å; W228-W268 HydrophobicContact CE3-CG 4.09Å; W228-W268 HydrophobicContact CG-CB 4.36Å; W228-W268 AromaticContact CH2-CD1 3.75Å; W228-W268 HydrophobicContact CH2-CG 4.39Å; W228-W268 HydrophobicContact CZ3-CB 4.42Å; W228-W268 AromaticContact CZ3-CD1 3.34Å; W228-W268 HydrophobicContact CZ3-CG 4.09Å; W228-W268 AromaticContact CZ3-NE1 3.98Å
229	A	98.4	Very high	96.1	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.6	160.6	0	0	0	0	0	108.4	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.81Å; T211-A229 HydrophobicContact CG2-CB 4.33Å; A229-F232 HydrophobicContact CB-CD1 4.06Å; A229-F232 HydrophobicContact CB-CE1 3.78Å; A229-F232 WeakPolarHBondContact O-CE1 3.41Å; A229-I237 HydrophobicContact CB-CD1 3.61Å; A229-L239 HydrophobicContact CB-CD1 4.02Å; A229-L239 HydrophobicContact CB-CD2 4.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.49Å; A229-K267 PolarHBondContact N-O 2.76Å; A229-K267 PolarHBondContact O-N 2.91Å; A229-K267 VanDerWaalsContact O-O 3.04Å
230	L	98.2	Very high	96.4	Very high	56 Å²	56	39.3 Å²	39.3	29%	0.293	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	142.9	-174.7	-60.4	177.2	0	0	0	111.3	K210 W228 Q266	K210-L230 WeakPolarHBondContact CB-O 3.28Å; K210-L230 PolarHBondContact N-O 3.14Å; K210-L230 PolarHBondContact O-N 2.82Å; W228-L230 HydrophobicContact CE3-CD2 4Å; L230-Q266 HydrophobicContact CD2-CB 3.61Å
231	G	97.3	Very high	96.8	Very high	12 Å²	12	32.3 Å²	32.3	12%	0.124	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.2	40.6	168.4	0	0	0	0	0	113.9	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.46Å; G231-F265 PolarHBondContact N-O 2.99Å
232	F	97.2	Very high	97	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	158.6	179.3	58.8	-92.2	0	0	0	113.3	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.37Å; E207-F232 VanDerWaalsContact O-CB 3.28Å; E207-F232 WeakPolarHBondContact O-CB 3.42Å; P209-F232 HydrophobicContact CB-CB 3.99Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.23Å; A229-F232 HydrophobicContact CB-CD1 4.06Å; A229-F232 HydrophobicContact CB-CE1 3.78Å; A229-F232 WeakPolarHBondContact O-CE1 3.41Å; F232-P234 WeakPolarHBondContact CD2-O 3.37Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.3Å; F232-I237 HydrophobicContact CD2-CD1 4.11Å; F232-I237 HydrophobicContact CE1-CD1 3.82Å; F232-I237 HydrophobicContact CE1-CG2 4.24Å; F232-I237 HydrophobicContact CE2-CB 3.77Å; F232-I237 HydrophobicContact CE2-CD1 4.08Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 4.04Å; F232-I237 HydrophobicContact CZ-CB 4.06Å; F232-I237 HydrophobicContact CZ-CD1 3.96Å; F232-I237 HydrophobicContact CZ-CG2 3.43Å; F232-I237 VanDerWaalsContact CZ-CG2 3.43Å; F232-T257 HydrophobicContact CE2-CG2 3.99Å; F232-T257 HydrophobicContact CZ-CG2 3.81Å; F232-T264 CarbonylContact O-C 3.57Å; F232-T264 WeakPolarHBondContact O-CA 3.37Å; F232-T264 WeakPolarHBondContact O-CB 3.24Å; F232-F265 WeakPolarHBondContact CD1-O 3.31Å; F232-F265 HydrophobicContact CD2-CB 3.88Å; F232-F265 HydrophobicContact CE1-CB 4.39Å; F232-F265 WeakPolarHBondContact CE1-O 3.38Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.72Å; F232-F265 PolarHBondContact N-O 3.43Å; F232-F265 PolarHBondContact O-N 2.82Å; F232-K267 HydrophobicContact CE1-CB 4.42Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; F232-H287 AromaticContact CD2-CD2 3.89Å; F232-H287 AromaticContact CD2-NE2 3.73Å
233	Y	95.8	Very high	97	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.016	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-155	136	174.5	178.9	-82.9	0	0	0	108.7	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.01Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.3Å; T55-Y233 PolarHBondContact OG1-OH 2.84Å; R205-Y233 HydrophobicContact CG-CD1 4.12Å; R205-Y233 HydrophobicContact CG-CE1 4.47Å; R205-Y233 WeakPolarHBondContact O-CD1 3.43Å; A206-Y233 CarbonylContact C-O 3.53Å; A206-Y233 VanDerWaalsContact CA-O 3.29Å; A206-Y233 WeakPolarHBondContact CA-O 3.49Å; E207-Y233 PolarHBondContact N-O 3.33Å; E207-Y233 PolarHBondContact O-N 3.06Å; E207-Y233 VanDerWaalsContact O-N 3.13Å; Y233-G263 WeakPolarHBondContact CD2-O 3.26Å; Y233-F265 HydrophobicContact CD2-CD2 4.49Å; Y233-F265 HydrophobicContact CD2-CE2 4.13Å; Y233-H287 PolarHBondContact O-CE1 2.74Å; Y233-H287 VanDerWaalsContact O-CE1 3.23Å
234	P	95.2	Very high	96.8	Very high	21 Å²	21	31.3 Å²	31.3	14%	0.136	16%	0.16	C	C	.	.	S	Bend	cis	-67.9	178.3	1	29.9	-37.1	0	0	0	113.3	D54 F232 H287	D54-P234 VanDerWaalsContact OD2-CB 3.31Å; D54-P234 WeakPolarHBondContact OD2-CB 3.46Å; F232-P234 WeakPolarHBondContact CD2-O 3.37Å; P234-H287 PolarHBondContact O-NE2 2.94Å
235	A	96.3	Very high	96.4	Very high	13 Å²	13	32.4 Å²	32.4	11%	0.107	18%	0.175	C	C	.	.	S	Bend	trans	-76.1	-21.2	-173.2	0	0	0	0	0	114.6	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.22Å; D54-A235 WeakPolarHBondContact OD1-CB 3.38Å; D54-A235 WeakPolarHBondContact OD2-CB 3.36Å; D54-A235 PolarHBondContact OD2-N 3.34Å; A235-I237 PolarHBondContact O-N 3.22Å; A235-T257 WeakPolarHBondContact O-CG2 3.45Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.67Å; A235-F265 HydrophobicContact CB-CE1 3.76Å; A235-F265 HydrophobicContact CB-CE2 3.72Å; A235-F265 HydrophobicContact CB-CG 3.69Å; A235-F265 HydrophobicContact CB-CZ 3.77Å
236	E	95.6	Very high	96.2	Very high	102 Å²	102	38.7 Å²	38.7	48%	0.477	21%	0.205	S	C	.	.			trans	-65.9	125.2	174.7	-170.4	78.8	164.7	0	0	109.9	W23 H287	W23-E236 HydrophobicContact CE3-CB 4.35Å; W23-E236 HydrophobicContact CE3-CG 4.41Å; W23-E236 HydrophobicContact CH2-CB 3.9Å; W23-E236 HydrophobicContact CH2-CG 3.36Å; W23-E236 HydrophobicContact CZ2-CG 4.03Å; W23-E236 HydrophobicContact CZ3-CB 3.56Å; W23-E236 HydrophobicContact CZ3-CG 3.57Å; E236-H287 PolarHBondContact O-CD2 3.36Å
237	I	96.3	Very high	95.9	Very high	7 Å²	7	41 Å²	41	4%	0.036	22%	0.221	C	C	.	.			trans	-151.1	135.1	172.9	-163	171.3	0	0	0	109.5	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 3.81Å; P209-I237 HydrophobicContact CG-CD1 3.94Å; A229-I237 HydrophobicContact CB-CD1 3.61Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.3Å; F232-I237 HydrophobicContact CD2-CD1 4.11Å; F232-I237 HydrophobicContact CE1-CD1 3.82Å; F232-I237 HydrophobicContact CE1-CG2 4.24Å; F232-I237 HydrophobicContact CE2-CB 3.77Å; F232-I237 HydrophobicContact CE2-CD1 4.08Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 4.04Å; F232-I237 HydrophobicContact CZ-CB 4.06Å; F232-I237 HydrophobicContact CZ-CD1 3.96Å; F232-I237 HydrophobicContact CZ-CG2 3.43Å; F232-I237 VanDerWaalsContact CZ-CG2 3.43Å; A235-I237 PolarHBondContact O-N 3.22Å; I237-L239 HydrophobicContact CB-CD1 4.43Å; I237-L239 HydrophobicContact CD1-CD1 3.77Å; I237-L239 HydrophobicContact CG1-CD1 3.68Å; I237-L239 HydrophobicContact CG2-CD1 4.02Å; I237-K267 HydrophobicContact CG2-CB 4.02Å; I237-K267 HydrophobicContact CG2-CD 3.46Å; I237-K267 VanDerWaalsContact CG2-CD 3.46Å; I237-K267 HydrophobicContact CG2-CG 4.4Å; I237-V285 HydrophobicContact CD1-CG1 3.85Å; I237-V285 HydrophobicContact CG1-CG1 4.17Å; I237-Q286 WeakPolarHBondContact CG1-O 3.26Å; I237-H287 HydrophobicContact CD1-CB 4.28Å; I237-H287 HydrophobicContact CG1-CB 4.06Å
238	T	96.9	Very high	95.7	Very high	61 Å²	61	42.7 Å²	42.7	37%	0.374	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121.5	172.9	-66.9	0	0	0	0	109.4	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.07Å; T238-V285 WeakPolarHBondContact O-CA 3.47Å; T238-Q286 PolarHBondContact N-O 3.4Å; T238-Q286 PolarHBondContact O-N 3.16Å
239	L	97.5	Very high	95.1	Very high	6 Å²	6	45 Å²	45	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.1	170.6	-89.3	61.1	0	0	0	107.8	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.02Å; A229-L239 HydrophobicContact CB-CD2 4.29Å; I237-L239 HydrophobicContact CB-CD1 4.43Å; I237-L239 HydrophobicContact CD1-CD1 3.77Å; I237-L239 HydrophobicContact CG1-CD1 3.68Å; I237-L239 HydrophobicContact CG2-CD1 4.02Å; L239-L254 HydrophobicContact CB-CD1 4.13Å; L239-K267 HydrophobicContact CD1-CD 4.37Å; L239-K267 HydrophobicContact CD2-CB 4.41Å; L239-K267 HydrophobicContact CD2-CG 4.49Å; L239-A269 HydrophobicContact CB-CB 3.97Å; L239-A269 HydrophobicContact CD2-CB 4.22Å; L239-H284 WeakPolarHBondContact CA-O 3.44Å; L239-V285 HydrophobicContact CD1-CG1 4Å; L239-V285 HydrophobicContact CD1-CG2 4.35Å; L239-V285 HydrophobicContact CG-CG2 4.23Å
240	T	97	Very high	94.4	Very high	36 Å²	36	54.1 Å²	54.1	22%	0.221	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	152.8	171.8	59.3	0	0	0	0	111.2	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.07Å; T240-C283 CarbonylContact O-C 3.59Å; T240-C283 WeakPolarHBondContact O-CA 3.45Å; T240-H284 PolarHBondContact N-O 2.87Å; T240-H284 PolarHBondContact O-N 3.47Å
241	W	97.8	Very high	93.8	Very high	1 Å²	1	57.2 Å²	57.2	0%	0.004	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	138.6	167.6	-82.6	104.5	0	0	0	109.8	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.83Å; V213-W241 HydrophobicContact CG1-CZ2 4.24Å; V213-W241 HydrophobicContact CG2-CH2 4.18Å; L225-W241 HydrophobicContact CB-CH2 3.67Å; L225-W241 HydrophobicContact CB-CZ2 3.74Å; L225-W241 HydrophobicContact CD1-CH2 3.89Å; L225-W241 HydrophobicContact CD1-CZ3 4.09Å; L225-W241 HydrophobicContact CG-CH2 4.43Å; C227-W241 HydrophobicContact CB-CH2 4.45Å; C227-W241 HydrophobicContact CB-CZ2 3.61Å; W241-Q248 HydrophobicContact CB-CB 4.3Å; W241-Q248 PolarHBondContact O-N 2.94Å; W241-A269 PolarHBondContact NE1-O 2.82Å; W241-V271 HydrophobicContact CB-CG1 3.78Å; W241-V271 HydrophobicContact CB-CG2 4.44Å; W241-V271 HydrophobicContact CD2-CG1 4.48Å; W241-V271 HydrophobicContact CD2-CG2 3.69Å; W241-V271 HydrophobicContact CE3-CG2 4.12Å; W241-V271 HydrophobicContact CG-CB 4.45Å; W241-V271 HydrophobicContact CG-CG1 3.74Å; W241-V271 HydrophobicContact CG-CG2 3.84Å; W241-V271 HydrophobicContact CZ2-CG2 4.33Å; W241-T282 CarbonylContact C-O 3.39Å; W241-T282 WeakPolarHBondContact CA-O 3.36Å; W241-C283 HydrophobicContact CD2-CB 4.07Å; W241-C283 HydrophobicContact CE3-CB 4.01Å; W241-C283 HydrophobicContact CH2-CB 4.01Å; W241-C283 HydrophobicContact CZ2-CB 4.07Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å
242	Q	97.1	Very high	93.7	Very high	38 Å²	38	57.8 Å²	57.8	18%	0.178	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144.8	173.2	-71.9	-175.4	-5.5	0	0	110.6	E246 D247 Y281 T282	Q242-E246 VanDerWaalsContact CA-O 3.27Å; Q242-E246 WeakPolarHBondContact CA-O 3.35Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.48Å; Q242-D247 PolarHBondContact NE2-OD1 3.32Å; Q242-Y281 CarbonylContact O-C 3.53Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.33Å; Q242-T282 PolarHBondContact N-O 3.41Å; Q242-T282 PolarHBondContact O-N 2.97Å
243	W	95	Very high	93.6	Very high	76 Å²	76	63 Å²	63	29%	0.288	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	114.1	171.4	175.9	81	0	0	0	107.9	G245 E246 Q248 E277 R280 Y281	W243-G245 PolarHBondContact O-N 3.01Å; W243-E246 PolarHBondContact N-O 3.12Å; W243-E246 PolarHBondContact O-N 3.38Å; W243-Q248 HydrophobicContact CB-CG 3.97Å; W243-E277 PolarHBondContact NE1-OE2 3.48Å; W243-E277 VanDerWaalsContact NE1-OE2 3.09Å; W243-R280 VanDerWaalsContact CE2-CZ 3.41Å; W243-R280 VanDerWaalsContact CZ2-CZ 3.42Å; W243-Y281 HydrophobicContact CB-CD1 4.13Å; W243-Y281 HydrophobicContact CB-CE1 3.92Å; W243-Y281 AromaticContact CD1-CD2 3.94Å; W243-Y281 AromaticContact CD1-CE1 3.81Å; W243-Y281 AromaticContact CD1-CE2 3.45Å; W243-Y281 VanDerWaalsContact CD1-CE2 3.45Å; W243-Y281 AromaticContact CD1-CZ 3.38Å; W243-Y281 HydrophobicContact CG-CE1 4.16Å; W243-Y281 AromaticContact NE1-CE2 3.98Å
244	D	92.4	Very high	93.6	Very high	104 Å²	104	67 Å²	67	56%	0.556	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	19.3	-171.1	-68.6	-21.9	0	0	0	115.8	R280	D244-R280 PolarHBondContact N-O 3.06Å; D244-R280 WeakPolarHBondContact OD1-CB 3.22Å; D244-R280 IonicContact OD1-NE 2.78Å; D244-R280 IonicContact OD2-CZ 3.33Å; D244-R280 IonicContact OD2-NE 3.17Å; D244-R280 PolarHBondContact OD2-NE 3.12Å; D244-R280 IonicContact OD2-NH2 3.28Å; D244-R280 PolarHBondContact OD2-NH2 2.97Å
245	G	88.7	Confident	93.7	Very high	46 Å²	46	67.8 Å²	67.8	47%	0.474	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.4	-2.1	-179.4	0	0	0	0	0	115.8	W243	W243-G245 PolarHBondContact O-N 3.01Å
246	E	92.8	Very high	93.7	Very high	133 Å²	133	75.4 Å²	75.4	62%	0.621	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.4	176.5	-61.6	-168.8	161.5	0	0	111.5	Q242 W243 Q248	Q242-E246 VanDerWaalsContact CA-O 3.27Å; Q242-E246 WeakPolarHBondContact CA-O 3.35Å; W243-E246 PolarHBondContact N-O 3.12Å; W243-E246 PolarHBondContact O-N 3.38Å; E246-Q248 PolarHBondContact O-N 3.3Å; E246-Q248 PolarHBondContact O-NE2 3.33Å
247	D	92.8	Very high	93.8	Very high	93 Å²	93	72.7 Å²	72.7	50%	0.497	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	125.4	-176.6	-68.6	-46.2	0	0	0	113.1	Q242 T249	Q242-D247 WeakPolarHBondContact CG-OD1 3.48Å; Q242-D247 PolarHBondContact NE2-OD1 3.32Å; D247-T249 VanDerWaalsContact C-N 3.32Å; D247-T249 PolarHBondContact O-N 2.95Å
248	Q	92.8	Very high	93.9	Very high	34 Å²	34	77.1 Å²	77.1	16%	0.159	40%	0.399	C	S	.	.			trans	-94.1	38.2	-174.5	-56.4	-61.2	-74	0	0	112.6	W241 W243 E246 Q250 D251 T252 V271 Y281	W241-Q248 HydrophobicContact CB-CB 4.3Å; W241-Q248 PolarHBondContact O-N 2.94Å; W243-Q248 HydrophobicContact CB-CG 3.97Å; E246-Q248 PolarHBondContact O-N 3.3Å; E246-Q248 PolarHBondContact O-NE2 3.33Å; Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 2.87Å; Q248-D251 PolarHBondContact O-N 2.89Å; Q248-T252 WeakPolarHBondContact O-CB 3.21Å; Q248-T252 PolarHBondContact O-N 3.01Å; Q248-T252 VanDerWaalsContact O-N 3.13Å; Q248-T252 PolarHBondContact O-OG1 2.03Å; Q248-V271 HydrophobicContact CB-CG1 4.44Å; Q248-Y281 HydrophobicContact CG-CE1 4.36Å
249	T	85.6	Confident	93.9	Very high	101 Å²	101	78.4 Å²	78.4	62%	0.62	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-25.7	-164.6	-51.1	0	0	0	0	114.7	D247	D247-T249 VanDerWaalsContact C-N 3.32Å; D247-T249 PolarHBondContact O-N 2.95Å
250	Q	85	Confident	93.8	Very high	193 Å²	193	80.5 Å²	80.5	90%	0.902	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-32.7	178.7	-62.9	-171.9	22.7	0	0	112.4	Q248	Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 2.87Å
251	D	85.5	Confident	93.6	Very high	121 Å²	121	82.4 Å²	82.4	65%	0.647	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	3.6	-177.1	-51.1	-82.2	0	0	0	112.7	Q248	Q248-D251 PolarHBondContact O-N 2.89Å
252	T	93.6	Very high	93.4	Very high	24 Å²	24	87.8 Å²	87.8	15%	0.147	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	116.7	177.5	-62.3	0	0	0	0	112	Q248 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 3.21Å; Q248-T252 PolarHBondContact O-N 3.01Å; Q248-T252 VanDerWaalsContact O-N 3.13Å; Q248-T252 PolarHBondContact O-OG1 2.03Å; T252-L254 HydrophobicContact CG2-CB 4.28Å; T252-L254 PolarHBondContact O-N 2.78Å; T252-L254 VanDerWaalsContact O-N 3.11Å; T252-A269 HydrophobicContact CG2-CB 3.89Å; T252-A270 CarbonylContact C-O 3.57Å; T252-A270 WeakPolarHBondContact CA-O 3.38Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.31Å
253	E	96.3	Very high	93.1	Very high	109 Å²	109	87.9 Å²	87.9	51%	0.509	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	96.2	162.8	-175.3	-171.6	-154.5	0	0	109.3	R226 W268 A269 A270	R226-E253 IonicContact NH2-OE2 2.76Å; R226-E253 PolarHBondContact NH2-OE2 3.16Å; E253-W268 HydrophobicContact CB-CZ3 4.3Å; E253-W268 HydrophobicContact CG-CH2 3.97Å; E253-W268 HydrophobicContact CG-CZ3 3.76Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.42Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.45Å; E253-A269 CarbonylContact O-C 3.58Å; E253-A269 WeakPolarHBondContact O-CA 3.47Å; E253-A270 HydrophobicContact CB-CB 4.33Å; E253-A270 PolarHBondContact N-O 3.15Å; E253-A270 PolarHBondContact O-N 3.31Å
254	L	96.4	Very high	93.2	Very high	89 Å²	89	84.7 Å²	84.7	47%	0.466	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	119.6	177.4	-174.5	68.5	0	0	0	110.7	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.13Å; T252-L254 HydrophobicContact CG2-CB 4.28Å; T252-L254 PolarHBondContact O-N 2.78Å; T252-L254 VanDerWaalsContact O-N 3.11Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; L254-A269 HydrophobicContact CD1-CB 3.7Å
255	V	96.5	Very high	93.4	Very high	36 Å²	36	81 Å²	81	22%	0.218	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-84.6	153.1	175.5	-63.6	0	0	0	0	112.8	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 WeakPolarHBondContact O-CE 3.43Å; V255-K267 WeakPolarHBondContact O-CG 3.32Å; V255-K267 PolarHBondContact O-NZ 3.24Å; V255-W268 HydrophobicContact CG1-CD2 4.04Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.72Å; V255-W268 HydrophobicContact CG1-CZ2 3.42Å; V255-W268 VanDerWaalsContact CG1-CZ2 3.42Å; V255-W268 HydrophobicContact CG1-CZ3 4.13Å; V255-W268 HydrophobicContact CG2-CD2 3.86Å; V255-W268 HydrophobicContact CG2-CG 3.82Å; V255-W268 WeakPolarHBondContact CG2-O 3.21Å; V255-W268 PolarHBondContact N-O 3.28Å
256	E	96.5	Very high	93.9	Very high	174 Å²	174	80.8 Å²	80.8	81%	0.813	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-54	147	165.4	-66.5	-176.1	164.1	0	0	111	R258	E256-R258 PolarHBondContact O-N 2.85Å
257	T	97.7	Very high	94.1	Very high	44 Å²	44	75.5 Å²	75.5	27%	0.27	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-72	128.5	175.2	-53.5	0	0	0	0	108.8	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 3.99Å; F232-T257 HydrophobicContact CZ-CG2 3.81Å; A235-T257 WeakPolarHBondContact O-CG2 3.45Å; T257-F265 HydrophobicContact CG2-CB 3.88Å; T257-F265 HydrophobicContact CG2-CD1 4.1Å; T257-F265 HydrophobicContact CG2-CG 4.31Å; T257-K267 WeakPolarHBondContact OG1-CD 3.44Å; T257-K267 PolarHBondContact OG1-NZ 2.94Å
258	R	97.2	Very high	94.4	Very high	101 Å²	101	72.3 Å²	72.3	38%	0.381	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	146.1	-174.6	70.4	-164.1	-175.9	-173.4	3.5	111	E256 Q266	E256-R258 PolarHBondContact O-N 2.85Å; R258-Q266 HydrophobicContact CG-CG 3.67Å; R258-Q266 PolarHBondContact N-O 2.84Å; R258-Q266 VanDerWaalsContact NE-CD 3.27Å; R258-Q266 VanDerWaalsContact O-CG 3.26Å; R258-Q266 WeakPolarHBondContact O-CG 3.45Å; R258-Q266 PolarHBondContact O-N 3.43Å
259	P	97.1	Very high	94.7	Very high	88 Å²	88	70.7 Å²	70.7	57%	0.571	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	152.4	176.7	27.7	-34.6	0	0	0	111.6	F265 Q266	P259-F265 HydrophobicContact CB-CD1 4.36Å; P259-F265 HydrophobicContact CB-CE1 4.11Å; P259-Q266 PolarHBondContact O-NE2 2.92Å; P259-Q266 VanDerWaalsContact O-NE2 3.15Å
260	A	96.3	Very high	95.2	Very high	50 Å²	50	65.9 Å²	65.9	41%	0.413	37%	0.367	S	S	.	.			trans	-90	-22.2	168.9	0	0	0	0	0	112.6	D262 T264 Q266	A260-D262 WeakPolarHBondContact CB-OD1 3.16Å; A260-T264 WeakPolarHBondContact CB-O 3.5Å; A260-T264 PolarHBondContact N-O 3.2Å; A260-Q266 HydrophobicContact CB-CG 4.46Å
261	G	92.9	Very high	95.8	Very high	76 Å²	76	57 Å²	57	78%	0.784	33%	0.325	S	S	*	.	S	Bend	trans	100.1	-8	177.7	0	0	0	0	0	115
262	D	92.4	Very high	96.4	Very high	114 Å²	114	55.1 Å²	55.1	61%	0.61	32%	0.318	S	S	*	.	S	Bend	trans	-97.7	3.9	174.5	57	7	0	0	0	113.4	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.16Å; D262-T264 WeakPolarHBondContact OD1-CB 3.01Å; D262-T264 PolarHBondContact OD1-N 3.17Å; D262-T264 PolarHBondContact OD1-OG1 3.32Å; D262-T264 PolarHBondContact OD2-OG1 3.32Å
263	G	91.5	Very high	96.5	Very high	39 Å²	39	54 Å²	54	40%	0.402	31%	0.312	S	S	.	.	S	Bend	trans	96.2	-1.8	-171.8	0	0	0	0	0	114.2	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.26Å
264	T	96.4	Very high	96.4	Very high	9 Å²	9	51.4 Å²	51.4	6%	0.055	30%	0.304	C	S	.	.			trans	-104.4	172.2	173.2	74.7	0	0	0	0	112.3	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.46Å; F232-T264 CarbonylContact O-C 3.57Å; F232-T264 WeakPolarHBondContact O-CA 3.37Å; F232-T264 WeakPolarHBondContact O-CB 3.24Å; A260-T264 WeakPolarHBondContact CB-O 3.5Å; A260-T264 PolarHBondContact N-O 3.2Å; D262-T264 WeakPolarHBondContact OD1-CB 3.01Å; D262-T264 PolarHBondContact OD1-N 3.17Å; D262-T264 PolarHBondContact OD1-OG1 3.32Å; D262-T264 PolarHBondContact OD2-OG1 3.32Å
265	F	98	Very high	96.2	Very high	27 Å²	27	50 Å²	50	12%	0.118	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	164.7	-176.1	-66.7	-86.6	0	0	0	112.7	D54 G231 F232 Y233 A235 T257 P259	D54-F265 HydrophobicContact CB-CE2 3.71Å; D54-F265 HydrophobicContact CB-CZ 3.76Å; G231-F265 PolarHBondContact N-O 2.99Å; F232-F265 WeakPolarHBondContact CD1-O 3.31Å; F232-F265 HydrophobicContact CD2-CB 3.88Å; F232-F265 HydrophobicContact CE1-CB 4.39Å; F232-F265 WeakPolarHBondContact CE1-O 3.38Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.72Å; F232-F265 PolarHBondContact N-O 3.43Å; F232-F265 PolarHBondContact O-N 2.82Å; Y233-F265 HydrophobicContact CD2-CD2 4.49Å; Y233-F265 HydrophobicContact CD2-CE2 4.13Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.67Å; A235-F265 HydrophobicContact CB-CE1 3.76Å; A235-F265 HydrophobicContact CB-CE2 3.72Å; A235-F265 HydrophobicContact CB-CG 3.69Å; A235-F265 HydrophobicContact CB-CZ 3.77Å; T257-F265 HydrophobicContact CG2-CB 3.88Å; T257-F265 HydrophobicContact CG2-CD1 4.1Å; T257-F265 HydrophobicContact CG2-CG 4.31Å; P259-F265 HydrophobicContact CB-CD1 4.36Å; P259-F265 HydrophobicContact CB-CE1 4.11Å
266	Q	98.2	Very high	95.9	Very high	42 Å²	42	51.3 Å²	51.3	20%	0.196	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	143.1	178.9	38.3	161.8	-25	0	0	110.1	A229 L230 R258 P259 A260	A229-Q266 WeakPolarHBondContact O-CA 3.49Å; L230-Q266 HydrophobicContact CD2-CB 3.61Å; R258-Q266 HydrophobicContact CG-CG 3.67Å; R258-Q266 PolarHBondContact N-O 2.84Å; R258-Q266 VanDerWaalsContact NE-CD 3.27Å; R258-Q266 VanDerWaalsContact O-CG 3.26Å; R258-Q266 WeakPolarHBondContact O-CG 3.45Å; R258-Q266 PolarHBondContact O-N 3.43Å; P259-Q266 PolarHBondContact O-NE2 2.92Å; P259-Q266 VanDerWaalsContact O-NE2 3.15Å; A260-Q266 HydrophobicContact CB-CG 4.46Å
267	K	98.5	Very high	95.8	Very high	21 Å²	21	45.8 Å²	45.8	9%	0.091	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	158.5	177.4	-160.3	-175.8	-169.4	64.9	0	109.1	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.76Å; A229-K267 PolarHBondContact O-N 2.91Å; A229-K267 VanDerWaalsContact O-O 3.04Å; F232-K267 HydrophobicContact CE1-CB 4.42Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; I237-K267 HydrophobicContact CG2-CB 4.02Å; I237-K267 HydrophobicContact CG2-CD 3.46Å; I237-K267 VanDerWaalsContact CG2-CD 3.46Å; I237-K267 HydrophobicContact CG2-CG 4.4Å; L239-K267 HydrophobicContact CD1-CD 4.37Å; L239-K267 HydrophobicContact CD2-CB 4.41Å; L239-K267 HydrophobicContact CD2-CG 4.49Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 WeakPolarHBondContact O-CE 3.43Å; V255-K267 WeakPolarHBondContact O-CG 3.32Å; V255-K267 PolarHBondContact O-NZ 3.24Å; T257-K267 WeakPolarHBondContact OG1-CD 3.44Å; T257-K267 PolarHBondContact OG1-NZ 2.94Å
268	W	98.3	Very high	95.6	Very high	26 Å²	26	44.8 Å²	44.8	10%	0.098	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	158.1	167.3	56.4	-96.9	0	0	0	111.6	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.02Å; R226-W268 HydrophobicContact CG-CE3 3.79Å; R226-W268 HydrophobicContact CG-CG 4.18Å; C227-W268 CarbonylContact O-C 3.53Å; C227-W268 WeakPolarHBondContact O-CA 3.31Å; C227-W268 WeakPolarHBondContact O-CB 3.41Å; W228-W268 HydrophobicContact CD2-CB 4Å; W228-W268 HydrophobicContact CD2-CG 4.4Å; W228-W268 HydrophobicContact CE3-CB 3.91Å; W228-W268 AromaticContact CE3-CD1 3.7Å; W228-W268 HydrophobicContact CE3-CG 4.09Å; W228-W268 HydrophobicContact CG-CB 4.36Å; W228-W268 AromaticContact CH2-CD1 3.75Å; W228-W268 HydrophobicContact CH2-CG 4.39Å; W228-W268 HydrophobicContact CZ3-CB 4.42Å; W228-W268 AromaticContact CZ3-CD1 3.34Å; W228-W268 HydrophobicContact CZ3-CG 4.09Å; W228-W268 AromaticContact CZ3-NE1 3.98Å; E253-W268 HydrophobicContact CB-CZ3 4.3Å; E253-W268 HydrophobicContact CG-CH2 3.97Å; E253-W268 HydrophobicContact CG-CZ3 3.76Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.42Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.45Å; V255-W268 HydrophobicContact CG1-CD2 4.04Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.72Å; V255-W268 HydrophobicContact CG1-CZ2 3.42Å; V255-W268 VanDerWaalsContact CG1-CZ2 3.42Å; V255-W268 HydrophobicContact CG1-CZ3 4.13Å; V255-W268 HydrophobicContact CG2-CD2 3.86Å; V255-W268 HydrophobicContact CG2-CG 3.82Å; V255-W268 WeakPolarHBondContact CG2-O 3.21Å; V255-W268 PolarHBondContact N-O 3.28Å; W268-A270 HydrophobicContact CE3-CB 3.98Å; W268-A270 HydrophobicContact CZ3-CB 3.73Å
269	A	98.2	Very high	95.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.1	174.5	0	0	0	0	0	108.2	C227 L239 W241 T252 E253 L254	C227-A269 PolarHBondContact N-O 3Å; C227-A269 PolarHBondContact O-N 3.04Å; L239-A269 HydrophobicContact CB-CB 3.97Å; L239-A269 HydrophobicContact CD2-CB 4.22Å; W241-A269 PolarHBondContact NE1-O 2.82Å; T252-A269 HydrophobicContact CG2-CB 3.89Å; E253-A269 CarbonylContact O-C 3.58Å; E253-A269 WeakPolarHBondContact O-CA 3.47Å; L254-A269 HydrophobicContact CD1-CB 3.7Å
270	A	97.8	Very high	95.3	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.008	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	146.6	179	0	0	0	0	0	112.5	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.9Å; L225-A270 CarbonylContact O-C 3.55Å; L225-A270 WeakPolarHBondContact O-CA 3.48Å; L225-A270 WeakPolarHBondContact O-CB 3.37Å; R226-A270 HydrophobicContact CB-CB 3.94Å; R226-A270 HydrophobicContact CG-CB 4.07Å; T252-A270 CarbonylContact C-O 3.57Å; T252-A270 WeakPolarHBondContact CA-O 3.38Å; E253-A270 HydrophobicContact CB-CB 4.33Å; E253-A270 PolarHBondContact N-O 3.15Å; E253-A270 PolarHBondContact O-N 3.31Å; W268-A270 HydrophobicContact CE3-CB 3.98Å; W268-A270 HydrophobicContact CZ3-CB 3.73Å
271	V	97.3	Very high	95.4	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.03	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	146.9	173.7	-75.2	0	0	0	0	109.5	T224 L225 W241 Q248 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.39Å; L225-V271 HydrophobicContact CB-CG2 4.22Å; L225-V271 PolarHBondContact N-O 3.36Å; L225-V271 PolarHBondContact O-N 2.9Å; W241-V271 HydrophobicContact CB-CG1 3.78Å; W241-V271 HydrophobicContact CB-CG2 4.44Å; W241-V271 HydrophobicContact CD2-CG1 4.48Å; W241-V271 HydrophobicContact CD2-CG2 3.69Å; W241-V271 HydrophobicContact CE3-CG2 4.12Å; W241-V271 HydrophobicContact CG-CB 4.45Å; W241-V271 HydrophobicContact CG-CG1 3.74Å; W241-V271 HydrophobicContact CG-CG2 3.84Å; W241-V271 HydrophobicContact CZ2-CG2 4.33Å; Q248-V271 HydrophobicContact CB-CG1 4.44Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.31Å; V271-V273 HydrophobicContact CB-CG1 4.36Å; V271-V273 HydrophobicContact CG2-CG1 3.73Å; V271-Y281 HydrophobicContact CG2-CD1 4.15Å
272	V	96.7	Very high	95.6	Very high	83 Å²	83	38.7 Å²	38.7	50%	0.503	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	132.5	165.1	-177	0	0	0	0	107.8	E222 A223	E222-V272 HydrophobicContact CB-CG1 4.09Å; E222-V272 HydrophobicContact CG-CG1 4.31Å; A223-V272 WeakPolarHBondContact O-CA 3.49Å
273	V	95.6	Very high	95.9	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	146.2	-175.5	-51.5	0	0	0	0	110.5	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.47Å; A223-V273 HydrophobicContact CB-CG2 4.45Å; A223-V273 PolarHBondContact N-O 3.08Å; A223-V273 PolarHBondContact O-N 3.06Å; L225-V273 HydrophobicContact CD1-CG1 4.03Å; L225-V273 HydrophobicContact CD1-CG2 4.18Å; L225-V273 HydrophobicContact CG-CG1 4.1Å; L225-V273 HydrophobicContact CG-CG2 3.88Å; V271-V273 HydrophobicContact CB-CG1 4.36Å; V271-V273 HydrophobicContact CG2-CG1 3.73Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; V273-Y281 HydrophobicContact CB-CD2 3.87Å; V273-Y281 HydrophobicContact CB-CE2 3.54Å; V273-Y281 HydrophobicContact CG1-CD1 3.84Å; V273-Y281 HydrophobicContact CG1-CD2 3.52Å; V273-Y281 HydrophobicContact CG1-CE1 3.79Å; V273-Y281 HydrophobicContact CG1-CE2 3.47Å; V273-Y281 VanDerWaalsContact CG1-CE2 3.47Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å
274	P	95.3	Very high	96.1	Very high	53 Å²	53	33.8 Å²	33.8	34%	0.344	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	141.2	171.9	-20	32.3	0	0	0	112.2	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.48Å; P274-G276 PolarHBondContact O-N 3.28Å; P274-E277 HydrophobicContact CB-CB 4.28Å; P274-E277 HydrophobicContact CB-CG 4.18Å; P274-E277 HydrophobicContact CG-CB 4.49Å; P274-E277 HydrophobicContact CG-CG 4.47Å; P274-E277 PolarHBondContact O-N 3.05Å
275	S	91.5	Very high	96.2	Very high	59 Å²	59	33.3 Å²	33.3	41%	0.413	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	121.6	173.6	-64.8	0	0	0	0	111.3	D220 H221 E222	D220-S275 PolarHBondContact O-OG 3.37Å; H221-S275 WeakPolarHBondContact CA-OG 3.3Å; H221-S275 PolarHBondContact O-N 2.76Å; H221-S275 PolarHBondContact O-OG 3.37Å; E222-S275 PolarHBondContact N-OG 2.83Å
276	G	90.4	Very high	96.1	Very high	64 Å²	64	35.9 Å²	35.9	66%	0.66	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.1	-5.4	-178	0	0	0	0	0	115.5	P274 E278	P274-G276 PolarHBondContact O-N 3.28Å; G276-E278 VanDerWaalsContact C-OE2 3.23Å; G276-E278 WeakPolarHBondContact CA-OE2 3.35Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 2.84Å; G276-E278 PolarHBondContact N-OE2 2.82Å
277	E	93.9	Very high	96	Very high	59 Å²	59	34.6 Å²	34.6	28%	0.276	19%	0.191	S	C	.	.			trans	-96.6	0.5	174	-71.7	-153.7	-156.6	0	0	113.9	W243 P274 Q279 R280 Y281	W243-E277 PolarHBondContact NE1-OE2 3.48Å; W243-E277 VanDerWaalsContact NE1-OE2 3.09Å; P274-E277 HydrophobicContact CB-CB 4.28Å; P274-E277 HydrophobicContact CB-CG 4.18Å; P274-E277 HydrophobicContact CG-CB 4.49Å; P274-E277 HydrophobicContact CG-CG 4.47Å; P274-E277 PolarHBondContact O-N 3.05Å; E277-Q279 PolarHBondContact O-N 3.35Å; E277-R280 WeakPolarHBondContact O-CB 3.29Å; E277-R280 PolarHBondContact O-N 2.88Å; E277-R280 IonicContact OE1-NH1 3.6Å; E277-R280 WeakPolarHBondContact OE2-CD 3.45Å; E277-R280 IonicContact OE2-CZ 3.54Å; E277-R280 IonicContact OE2-NE 3.16Å; E277-R280 IonicContact OE2-NH1 2.68Å; E277-R280 PolarHBondContact OE2-NH1 2.95Å; E277-Y281 HydrophobicContact CB-CE2 4.29Å; E277-Y281 WeakPolarHBondContact O-CD2 3.44Å
278	E	94	Very high	95.7	Very high	22 Å²	22	37.4 Å²	37.4	10%	0.103	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-26.2	-168.9	-50.2	83.7	179.1	0	0	113.5	L225 V273 G276 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.14Å; L225-E278 HydrophobicContact CD2-CB 4.42Å; L225-E278 HydrophobicContact CD2-CG 4.43Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; G276-E278 VanDerWaalsContact C-OE2 3.23Å; G276-E278 WeakPolarHBondContact CA-OE2 3.35Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 2.84Å; G276-E278 PolarHBondContact N-OE2 2.82Å; E278-Y281 PolarHBondContact O-N 2.81Å; E278-W298 HydrophobicContact CB-CE3 3.51Å; E278-W298 HydrophobicContact CB-CZ3 3.94Å; E278-W298 HydrophobicContact CG-CE3 3.81Å; E278-W298 HydrophobicContact CG-CZ3 3.83Å
279	Q	93.9	Very high	95.3	Very high	82 Å²	82	36.9 Å²	36.9	38%	0.383	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-13	179.2	-62.7	-58.2	-45.4	0	0	114.4	E277 R297 W298	E277-Q279 PolarHBondContact O-N 3.35Å; Q279-R297 VanDerWaalsContact O-CZ 3.26Å; Q279-R297 PolarHBondContact O-NE 3.37Å; Q279-R297 PolarHBondContact O-NH1 3.13Å; Q279-W298 PolarHBondContact NE2-O 3.06Å
280	R	95.4	Very high	95.1	Very high	77 Å²	77	38 Å²	38	29%	0.291	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-23.1	171.4	-59.8	178	72	-166.1	-2.2	111.7	W243 D244 E277	W243-R280 VanDerWaalsContact CE2-CZ 3.41Å; W243-R280 VanDerWaalsContact CZ2-CZ 3.42Å; D244-R280 PolarHBondContact N-O 3.06Å; D244-R280 WeakPolarHBondContact OD1-CB 3.22Å; D244-R280 IonicContact OD1-NE 2.78Å; D244-R280 IonicContact OD2-CZ 3.33Å; D244-R280 IonicContact OD2-NE 3.17Å; D244-R280 PolarHBondContact OD2-NE 3.12Å; D244-R280 IonicContact OD2-NH2 3.28Å; D244-R280 PolarHBondContact OD2-NH2 2.97Å; E277-R280 WeakPolarHBondContact O-CB 3.29Å; E277-R280 PolarHBondContact O-N 2.88Å; E277-R280 IonicContact OE1-NH1 3.6Å; E277-R280 WeakPolarHBondContact OE2-CD 3.45Å; E277-R280 IonicContact OE2-CZ 3.54Å; E277-R280 IonicContact OE2-NE 3.16Å; E277-R280 IonicContact OE2-NH1 2.68Å; E277-R280 PolarHBondContact OE2-NH1 2.95Å
281	Y	96.6	Very high	94.7	Very high	19 Å²	19	43.8 Å²	43.8	8%	0.075	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	128.5	179.5	-68.8	-91.8	0	0	0	111.4	Q242 W243 Q248 V271 V273 E277 E278	Q242-Y281 CarbonylContact O-C 3.53Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.33Å; W243-Y281 HydrophobicContact CB-CD1 4.13Å; W243-Y281 HydrophobicContact CB-CE1 3.92Å; W243-Y281 AromaticContact CD1-CD2 3.94Å; W243-Y281 AromaticContact CD1-CE1 3.81Å; W243-Y281 AromaticContact CD1-CE2 3.45Å; W243-Y281 VanDerWaalsContact CD1-CE2 3.45Å; W243-Y281 AromaticContact CD1-CZ 3.38Å; W243-Y281 HydrophobicContact CG-CE1 4.16Å; W243-Y281 AromaticContact NE1-CE2 3.98Å; Q248-Y281 HydrophobicContact CG-CE1 4.36Å; V271-Y281 HydrophobicContact CG2-CD1 4.15Å; V273-Y281 HydrophobicContact CB-CD2 3.87Å; V273-Y281 HydrophobicContact CB-CE2 3.54Å; V273-Y281 HydrophobicContact CG1-CD1 3.84Å; V273-Y281 HydrophobicContact CG1-CD2 3.52Å; V273-Y281 HydrophobicContact CG1-CE1 3.79Å; V273-Y281 HydrophobicContact CG1-CE2 3.47Å; V273-Y281 VanDerWaalsContact CG1-CE2 3.47Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å; E277-Y281 HydrophobicContact CB-CE2 4.29Å; E277-Y281 WeakPolarHBondContact O-CD2 3.44Å; E278-Y281 PolarHBondContact O-N 2.81Å
282	T	97.6	Very high	94.5	Very high	10 Å²	10	50.8 Å²	50.8	6%	0.061	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.6	174	43.6	0	0	0	0	110.9	W241 Q242 T295 L296 R297	W241-T282 CarbonylContact C-O 3.39Å; W241-T282 WeakPolarHBondContact CA-O 3.36Å; Q242-T282 PolarHBondContact N-O 3.41Å; Q242-T282 PolarHBondContact O-N 2.97Å; T282-T295 HydrophobicContact CG2-CG2 3.88Å; T282-L296 CarbonylContact C-O 3.52Å; T282-L296 WeakPolarHBondContact CA-O 3.49Å; T282-R297 HydrophobicContact CG2-CG 3.7Å; T282-R297 VanDerWaalsContact CG2-NE 3.31Å
283	C	97.9	Very high	94.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	130.8	168.1	173.8	0	0	0	0	109.3	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.47Å; C227-C283 VanDerWaalsContact CB-CB 3.47Å; C227-C283 WeakPolarHBondContact CB-SG 3.48Å; C227-C283 WeakPolarHBondContact SG-CB 3.39Å; C227-C283 CovalentContact SG-SG 2.02Å; C227-C283 PolarHBondContact SG-SG 2.89Å; T240-C283 CarbonylContact O-C 3.59Å; T240-C283 WeakPolarHBondContact O-CA 3.45Å; W241-C283 HydrophobicContact CD2-CB 4.07Å; W241-C283 HydrophobicContact CE3-CB 4.01Å; W241-C283 HydrophobicContact CH2-CB 4.01Å; W241-C283 HydrophobicContact CZ2-CB 4.07Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å; C283-T295 CarbonylContact O-C 3.57Å; C283-T295 WeakPolarHBondContact O-CA 3.09Å; C283-L296 HydrophobicContact CB-CB 4.28Å; C283-L296 PolarHBondContact N-O 2.68Å; C283-L296 PolarHBondContact O-N 3.44Å
284	H	97.5	Very high	94.4	Very high	49 Å²	49	53 Å²	53	23%	0.227	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.6	174	-61.7	-94.8	0	0	0	109.9	L239 T240 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.44Å; T240-H284 PolarHBondContact N-O 2.87Å; T240-H284 PolarHBondContact O-N 3.47Å; H284-L294 CarbonylContact C-O 3.55Å; H284-L294 WeakPolarHBondContact CA-O 3.41Å; H284-T295 PolarHBondContact CE1-OG1 3.47Å; H284-T295 PolarHBondContact ND1-OG1 2.93Å; H284-T295 VanDerWaalsContact ND1-OG1 3.09Å; H284-T295 WeakPolarHBondContact NE2-CG2 3.42Å; H284-T295 PolarHBondContact NE2-OG1 2.79Å; H284-T295 VanDerWaalsContact NE2-OG1 3.07Å
285	V	97.8	Very high	94.5	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	120.5	-178.4	-175.7	0	0	0	0	109.7	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.92Å; T211-V285 HydrophobicContact CG2-CB 4.36Å; T211-V285 HydrophobicContact CG2-CG1 4.08Å; T211-V285 HydrophobicContact CG2-CG2 4.02Å; I237-V285 HydrophobicContact CD1-CG1 3.85Å; I237-V285 HydrophobicContact CG1-CG1 4.17Å; T238-V285 WeakPolarHBondContact O-CA 3.47Å; L239-V285 HydrophobicContact CD1-CG1 4Å; L239-V285 HydrophobicContact CD1-CG2 4.35Å; L239-V285 HydrophobicContact CG-CG2 4.23Å; V285-L290 HydrophobicContact CG1-CD1 4.16Å; V285-P293 WeakPolarHBondContact O-CA 3.17Å; V285-L294 HydrophobicContact CB-CB 4.37Å; V285-L294 PolarHBondContact N-O 2.87Å; V285-L294 PolarHBondContact O-N 3.18Å; V285-L296 HydrophobicContact CG2-CD1 3.89Å
286	Q	96.6	Very high	94.8	Very high	80 Å²	80	52.9 Å²	52.9	37%	0.374	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	130.1	175.9	-54.5	-179.6	13.7	0	0	109.5	I237 T238 P293	I237-Q286 WeakPolarHBondContact CG1-O 3.26Å; T238-Q286 PolarHBondContact N-O 3.4Å; T238-Q286 PolarHBondContact O-N 3.16Å; Q286-P293 HydrophobicContact CG-CB 4.02Å; Q286-P293 HydrophobicContact CG-CG 4.11Å
287	H	95.3	Very high	95	Very high	15 Å²	15	56.1 Å²	56.1	7%	0.069	28%	0.282	C	S	.	.			trans	-156.4	143.2	-175.5	-175.7	-100.6	0	0	0	108.8	E207 P209 F232 Y233 P234 E236 I237 G289 L290	E207-H287 PolarHBondContact O-CE1 2.71Å; E207-H287 VanDerWaalsContact O-CE1 3.22Å; P209-H287 HydrophobicContact CG-CB 4.15Å; F232-H287 AromaticContact CD2-CD2 3.89Å; F232-H287 AromaticContact CD2-NE2 3.73Å; Y233-H287 PolarHBondContact O-CE1 2.74Å; Y233-H287 VanDerWaalsContact O-CE1 3.23Å; P234-H287 PolarHBondContact O-NE2 2.94Å; E236-H287 PolarHBondContact O-CD2 3.36Å; I237-H287 HydrophobicContact CD1-CB 4.28Å; I237-H287 HydrophobicContact CG1-CB 4.06Å; H287-G289 PolarHBondContact ND1-N 2.91Å; H287-G289 PolarHBondContact O-N 3.3Å; H287-G289 VanDerWaalsContact O-N 3.14Å; H287-L290 HydrophobicContact CB-CD1 3.95Å; H287-L290 HydrophobicContact CB-CG 4.1Å; H287-L290 WeakPolarHBondContact O-CB 3.44Å; H287-L290 PolarHBondContact O-N 2.94Å
288	E	91.4	Very high	95.1	Very high	81 Å²	81	55.5 Å²	55.5	38%	0.379	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-30.9	-176.9	-173.9	-176.7	164.1	0	0	113.4	W23 A24 G25 L290	W23-E288 HydrophobicContact CB-CG 4.44Å; A24-E288 WeakPolarHBondContact CA-OE1 3.27Å; G25-E288 PolarHBondContact N-OE1 3.2Å; E288-L290 VanDerWaalsContact C-N 3.33Å; E288-L290 PolarHBondContact O-N 3.43Å
289	G	90.9	Very high	94.8	Very high	14 Å²	14	62 Å²	62	14%	0.144	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-31.5	175.8	0	0	0	0	0	113.4	A206 H208 H287	A206-G289 VanDerWaalsContact CB-CA 3.45Å; H208-G289 PolarHBondContact CE1-O 3.17Å; H208-G289 VanDerWaalsContact ND1-C 3.26Å; H208-G289 PolarHBondContact ND1-O 2.65Å; H287-G289 PolarHBondContact ND1-N 2.91Å; H287-G289 PolarHBondContact O-N 3.3Å; H287-G289 VanDerWaalsContact O-N 3.14Å
290	L	93.3	Very high	94.2	Very high	25 Å²	25	61.9 Å²	61.9	13%	0.131	31%	0.314	C	S	.	.			trans	-74.4	124.5	-175.4	-66.2	171.9	0	0	0	110.7	H208 P209 V285 H287 E288 E292 L294	H208-L290 HydrophobicContact CB-CD2 4.15Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CD2 4.39Å; P209-L290 HydrophobicContact CG-CG 4.2Å; V285-L290 HydrophobicContact CG1-CD1 4.16Å; H287-L290 HydrophobicContact CB-CD1 3.95Å; H287-L290 HydrophobicContact CB-CG 4.1Å; H287-L290 WeakPolarHBondContact O-CB 3.44Å; H287-L290 PolarHBondContact O-N 2.94Å; E288-L290 VanDerWaalsContact C-N 3.33Å; E288-L290 PolarHBondContact O-N 3.43Å; L290-E292 VanDerWaalsContact C-N 3.25Å; L290-E292 PolarHBondContact O-N 3.06Å; L290-L294 HydrophobicContact CD1-CD1 4.05Å; L290-L294 HydrophobicContact CD1-CG 3.92Å; L290-L294 HydrophobicContact CD2-CD1 3.69Å; L290-L294 HydrophobicContact CD2-CG 3.88Å
291	P	90.8	Very high	92.7	Very high	122 Å²	122	63.2 Å²	63.2	79%	0.792	34%	0.335	S	S	*	.	S	Bend	trans	-69.4	-26	178.9	29.5	-35.5	0	0	0	112.6
292	E	91.9	Very high	90.5	Very high	152 Å²	152	67.7 Å²	67.7	71%	0.71	37%	0.369	S	S	*	.	S	Bend	trans	-141.6	147.3	171.6	-65.2	-175.8	174.6	0	0	108.6	L290 L294	L290-E292 VanDerWaalsContact C-N 3.25Å; L290-E292 PolarHBondContact O-N 3.06Å; E292-L294 PolarHBondContact O-N 3.3Å
293	P	94.8	Very high	88	Confident	69 Å²	69	75.2 Å²	75.2	45%	0.448	40%	0.403	S	S	.	.			trans	-55.4	134.1	175.3	-28.6	37	0	0	0	113.4	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.17Å; Q286-P293 HydrophobicContact CG-CB 4.02Å; Q286-P293 HydrophobicContact CG-CG 4.11Å
294	L	96.1	Very high	85.5	Confident	62 Å²	62	80.1 Å²	80.1	33%	0.325	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	130.4	175.2	-64.5	177.6	0	0	0	110.3	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.27Å; H284-L294 CarbonylContact C-O 3.55Å; H284-L294 WeakPolarHBondContact CA-O 3.41Å; V285-L294 HydrophobicContact CB-CB 4.37Å; V285-L294 PolarHBondContact N-O 2.87Å; V285-L294 PolarHBondContact O-N 3.18Å; L290-L294 HydrophobicContact CD1-CD1 4.05Å; L290-L294 HydrophobicContact CD1-CG 3.92Å; L290-L294 HydrophobicContact CD2-CD1 3.69Å; L290-L294 HydrophobicContact CD2-CG 3.88Å; E292-L294 PolarHBondContact O-N 3.3Å
295	T	97.2	Very high	83.3	Confident	73 Å²	73	84.2 Å²	84.2	45%	0.448	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	126	168.4	-54.8	0	0	0	0	109.1	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.88Å; C283-T295 CarbonylContact O-C 3.57Å; C283-T295 WeakPolarHBondContact O-CA 3.09Å; H284-T295 PolarHBondContact CE1-OG1 3.47Å; H284-T295 PolarHBondContact ND1-OG1 2.93Å; H284-T295 VanDerWaalsContact ND1-OG1 3.09Å; H284-T295 WeakPolarHBondContact NE2-CG2 3.42Å; H284-T295 PolarHBondContact NE2-OG1 2.79Å; H284-T295 VanDerWaalsContact NE2-OG1 3.07Å
296	L	96.6	Very high	81.2	Confident	36 Å²	36	89.2 Å²	89.2	19%	0.188	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	146	-171.4	-60.5	158.6	0	0	0	110.2	T211 V213 T282 C283 V285	T211-L296 HydrophobicContact CG2-CD1 4.12Å; V213-L296 HydrophobicContact CG2-CB 4.07Å; T282-L296 CarbonylContact C-O 3.52Å; T282-L296 WeakPolarHBondContact CA-O 3.49Å; C283-L296 HydrophobicContact CB-CB 4.28Å; C283-L296 PolarHBondContact N-O 2.68Å; C283-L296 PolarHBondContact O-N 3.44Å; V285-L296 HydrophobicContact CG2-CD1 3.89Å
297	R	95.6	Very high	79.3	Confident	132 Å²	132	89.5 Å²	89.5	50%	0.498	50%	0.499	S	S	.	.			trans	-121.6	166.1	167.9	-69.3	-174	175.3	-173.9	-6.4	109.5	Q279 T282 E299	Q279-R297 VanDerWaalsContact O-CZ 3.26Å; Q279-R297 PolarHBondContact O-NE 3.37Å; Q279-R297 PolarHBondContact O-NH1 3.13Å; T282-R297 HydrophobicContact CG2-CG 3.7Å; T282-R297 VanDerWaalsContact CG2-NE 3.31Å; R297-E299 PolarHBondContact O-N 3.13Å
298	W	95.2	Very high	77.7	Confident	45 Å²	45	94.6 Å²	94.6	17%	0.17	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-72.6	122.3	164.7	170.5	54.7	0	0	0	110.1	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.47Å; V213-W298 HydrophobicContact CG1-CB 3.85Å; H215-W298 HydrophobicContact CB-CD2 3.97Å; H215-W298 HydrophobicContact CB-CG 4.02Å; H215-W298 HydrophobicContact CB-CZ2 4.05Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.81Å; H215-W298 AromaticContact ND1-CZ2 3.89Å; L225-W298 HydrophobicContact CD1-CB 4.48Å; L225-W298 HydrophobicContact CD2-CB 3.84Å; L225-W298 HydrophobicContact CD2-CD2 4.43Å; L225-W298 HydrophobicContact CD2-CG 4.06Å; E278-W298 HydrophobicContact CB-CE3 3.51Å; E278-W298 HydrophobicContact CB-CZ3 3.94Å; E278-W298 HydrophobicContact CG-CE3 3.81Å; E278-W298 HydrophobicContact CG-CZ3 3.83Å; Q279-W298 PolarHBondContact NE2-O 3.06Å; W298-P300 HydrophobicContact CD2-CG 4.49Å; W298-P300 HydrophobicContact CE3-CG 4.33Å; W298-P300 HydrophobicContact CH2-CB 4.21Å; W298-P300 HydrophobicContact CH2-CG 3.86Å; W298-P300 HydrophobicContact CZ2-CB 3.97Å; W298-P300 HydrophobicContact CZ2-CG 3.96Å; W298-P300 HydrophobicContact CZ3-CG 4.04Å
299	E	88.9	Confident	76.2	Confident	160 Å²	160	96.7 Å²	96.7	75%	0.748	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-96.7	120.3	167.1	-65.6	-171.4	162.8	0	0	109.3	R297 S301	R297-E299 PolarHBondContact O-N 3.13Å; E299-S301 PolarHBondContact O-N 3.11Å
300	P	80.7	Confident	75	Confident	78 Å²	78	98.1 Å²	98.1	51%	0.506	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-57.3	130.4	169.8	-23.2	33.4	0	0	0	109.9	W298 S302	W298-P300 HydrophobicContact CD2-CG 4.49Å; W298-P300 HydrophobicContact CE3-CG 4.33Å; W298-P300 HydrophobicContact CH2-CB 4.21Å; W298-P300 HydrophobicContact CH2-CG 3.86Å; W298-P300 HydrophobicContact CZ2-CB 3.97Å; W298-P300 HydrophobicContact CZ2-CG 3.96Å; W298-P300 HydrophobicContact CZ3-CG 4.04Å; P300-S302 PolarHBondContact O-N 2.68Å
301	S	64.6	Low	74	Confident	105 Å²	105	101.3 Å²	101.3	73%	0.734	57%	0.574	S	S	*	*			trans	-63.9	107.3	-170.8	59.6	0	0	0	0	111.4	E299 Q303	E299-S301 PolarHBondContact O-N 3.11Å; S301-Q303 PolarHBondContact O-N 2.89Å
302	S	50	Low	73.2	Confident	113 Å²	113	99.8 Å²	99.8	79%	0.79	56%	0.562	S	S	*	*			trans	-74.9	52.8	174.8	53.5	0	0	0	0	112	P300 P304	P300-S302 PolarHBondContact O-N 2.68Å; S302-P304 WeakPolarHBondContact O-CD 3.46Å; S302-P304 VanDerWaalsContact O-N 3.15Å
303	Q	45.5	Very low	72.4	Confident	168 Å²	168	95 Å²	95	79%	0.785	55%	0.548	S	S	*	.			trans	-62	113.3	158.1	-75.7	-166.4	-10.1	0	0	107.1	S301 T305	S301-Q303 PolarHBondContact O-N 2.89Å; Q303-T305 PolarHBondContact O-N 2.8Å; Q303-T305 VanDerWaalsContact O-N 3.08Å
304	P	44.3	Very low	71.7	Confident	104 Å²	104	93.4 Å²	93.4	68%	0.675	54%	0.544	S	S	*	.			trans	-64.8	118.1	169.3	28.2	-31.8	0	0	0	106.5	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.46Å; S302-P304 VanDerWaalsContact O-N 3.15Å; P304-I306 HydrophobicContact CB-CG1 4.46Å; P304-I306 HydrophobicContact CG-CG1 4.36Å; P304-I306 PolarHBondContact O-N 3.04Å
305	T	51.4	Low	71.1	Confident	135 Å²	135	95.6 Å²	95.6	83%	0.828	56%	0.556	S	S	*	*			trans	-68.2	76	167	-49.9	0	0	0	0	107.8	Q303 P307	Q303-T305 PolarHBondContact O-N 2.8Å; Q303-T305 VanDerWaalsContact O-N 3.08Å; T305-P307 WeakPolarHBondContact O-CD 3.28Å
306	I	54.4	Low	70.3	Confident	104 Å²	104	94.8 Å²	94.8	53%	0.533	56%	0.556	S	S	.	*			trans	-50.9	118.7	173	-65.3	172.6	0	0	0	105.2	P304 I308 I311	P304-I306 HydrophobicContact CB-CG1 4.46Å; P304-I306 HydrophobicContact CG-CG1 4.36Å; P304-I306 PolarHBondContact O-N 3.04Å; I306-I308 PolarHBondContact O-N 3.23Å; I306-I311 HydrophobicContact CG2-CD1 3.8Å
307	P	57.4	Low	69.7	Low	87 Å²	87	97.2 Å²	97.2	57%	0.565	57%	0.572	S	S	*	*			trans	-75.8	79.3	-172.4	29.4	-34.5	0	0	0	108.9	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.28Å; P307-V309 PolarHBondContact O-N 3.16Å; P307-G310 WeakPolarHBondContact O-CA 3.49Å; P307-G310 PolarHBondContact O-N 3.17Å; P307-I311 PolarHBondContact O-N 3.23Å
308	I	60.4	Low	69.1	Low	122 Å²	122	96.4 Å²	96.4	63%	0.626	58%	0.577	S	S	*	*	H	α-helix	trans	-53.2	-38.8	177.2	-68.8	159.3	0	0	0	109.4	I306 G310 I311 V312	I306-I308 PolarHBondContact O-N 3.23Å; I308-G310 VanDerWaalsContact C-N 3.35Å; I308-G310 PolarHBondContact O-N 3.08Å; I308-I311 PolarHBondContact O-N 3.38Å; I308-V312 HydrophobicContact CG2-CG2 4.23Å; I308-V312 WeakPolarHBondContact O-CB 3.38Å; I308-V312 VanDerWaalsContact O-CG2 3.24Å; I308-V312 WeakPolarHBondContact O-CG2 3.09Å; I308-V312 PolarHBondContact O-N 3.31Å
309	V	60.3	Low	68.6	Low	125 Å²	125	96.9 Å²	96.9	76%	0.758	59%	0.591	S	S	*	*	H	α-helix	trans	-56.8	-43.9	171.7	-178.4	0	0	0	0	112.2	P307 A313	P307-V309 PolarHBondContact O-N 3.16Å; V309-A313 WeakPolarHBondContact O-CB 3.37Å; V309-A313 PolarHBondContact O-N 2.9Å
310	G	65	Low	68.3	Low	43 Å²	43	93.5 Å²	93.5	44%	0.443	58%	0.581	S	S	.	*	H	α-helix	trans	-68.9	-39.2	178.2	0	0	0	0	0	113.1	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.49Å; P307-G310 PolarHBondContact O-N 3.17Å; I308-G310 VanDerWaalsContact C-N 3.35Å; I308-G310 PolarHBondContact O-N 3.08Å; G310-G314 PolarHBondContact O-N 3.01Å
311	I	72.3	Confident	68.4	Low	93 Å²	93	94.8 Å²	94.8	48%	0.477	58%	0.583	S	S	.	*	H	α-helix	trans	-66.7	-46.5	175.7	-61.2	175.3	0	0	0	110.3	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.8Å; P307-I311 PolarHBondContact O-N 3.23Å; I308-I311 PolarHBondContact O-N 3.38Å; I311-G314 PolarHBondContact O-N 2.81Å; I311-L315 HydrophobicContact CG2-CD1 4.01Å; I311-L315 WeakPolarHBondContact O-CB 3.48Å; I311-L315 WeakPolarHBondContact O-CG 3.41Å; I311-L315 PolarHBondContact O-N 2.94Å
312	V	74.3	Confident	69.2	Low	90 Å²	90	92.9 Å²	92.9	55%	0.545	57%	0.574	S	S	.	*	H	α-helix	trans	-63.5	-42.2	177.2	170.6	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.23Å; I308-V312 WeakPolarHBondContact O-CB 3.38Å; I308-V312 VanDerWaalsContact O-CG2 3.24Å; I308-V312 WeakPolarHBondContact O-CG2 3.09Å; I308-V312 PolarHBondContact O-N 3.31Å; V312-L315 PolarHBondContact O-N 3.49Å; V312-A316 WeakPolarHBondContact O-CB 3.44Å; V312-A316 PolarHBondContact O-N 2.96Å
313	A	74.7	Confident	70.7	Confident	51 Å²	51	92 Å²	92	42%	0.421	56%	0.563	S	S	.	*	H	α-helix	trans	-63.2	-44.4	174.8	0	0	0	0	0	112.2	V309 A316 V317	V309-A313 WeakPolarHBondContact O-CB 3.37Å; V309-A313 PolarHBondContact O-N 2.9Å; A313-A316 PolarHBondContact O-N 3.38Å; A313-V317 WeakPolarHBondContact O-CG2 3.44Å; A313-V317 PolarHBondContact O-N 3.14Å
314	G	79.9	Confident	72.4	Confident	35 Å²	35	88.8 Å²	88.8	36%	0.361	55%	0.551	S	S	.	*	H	α-helix	trans	-61.2	-43.7	176.3	0	0	0	0	0	112.9	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.01Å; I311-G314 PolarHBondContact O-N 2.81Å; G314-V317 PolarHBondContact O-N 2.9Å; G314-L318 WeakPolarHBondContact O-CB 3.39Å; G314-L318 WeakPolarHBondContact O-CG 3.29Å; G314-L318 PolarHBondContact O-N 3.17Å
315	L	83.9	Confident	74.1	Confident	109 Å²	109	85.8 Å²	85.8	57%	0.571	54%	0.539	S	S	*	.	H	α-helix	trans	-65.5	-39.6	175.6	-71.2	171.5	0	0	0	112.3	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.01Å; I311-L315 WeakPolarHBondContact O-CB 3.48Å; I311-L315 WeakPolarHBondContact O-CG 3.41Å; I311-L315 PolarHBondContact O-N 2.94Å; V312-L315 PolarHBondContact O-N 3.49Å; L315-L318 PolarHBondContact O-N 3.07Å; L315-A319 WeakPolarHBondContact O-CB 3.48Å; L315-A319 PolarHBondContact O-N 3.29Å
316	A	81.4	Confident	75.3	Confident	55 Å²	55	82.1 Å²	82.1	46%	0.455	52%	0.522	S	S	.	.	H	α-helix	trans	-63.5	-43.4	175.5	0	0	0	0	0	112	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.44Å; V312-A316 PolarHBondContact O-N 2.96Å; A313-A316 PolarHBondContact O-N 3.38Å; A316-A319 PolarHBondContact O-N 3.15Å; A316-V320 WeakPolarHBondContact O-CG2 3.21Å; A316-V320 PolarHBondContact O-N 3.43Å
317	V	83.8	Confident	76.4	Confident	87 Å²	87	81 Å²	81	53%	0.527	52%	0.521	S	S	.	.	H	α-helix	trans	-63.4	-44.1	175.3	171.2	0	0	0	0	111.2	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.44Å; A313-V317 PolarHBondContact O-N 3.14Å; G314-V317 PolarHBondContact O-N 2.9Å; V317-A319 PolarHBondContact O-N 3.34Å; V317-V320 PolarHBondContact O-N 2.68Å; V317-L321 HydrophobicContact CG1-CD1 3.91Å; V317-L321 HydrophobicContact CG1-CG 4.38Å; V317-L321 WeakPolarHBondContact O-CB 3.35Å; V317-L321 WeakPolarHBondContact O-CG 3.46Å; V317-L321 PolarHBondContact O-N 2.82Å
318	L	83.8	Confident	77.3	Confident	115 Å²	115	81 Å²	81	60%	0.602	52%	0.518	S	S	*	.	H	α-helix	trans	-60.7	-41.7	175.5	-80	166.4	0	0	0	112.4	G314 L315 L321 A322	G314-L318 WeakPolarHBondContact O-CB 3.39Å; G314-L318 WeakPolarHBondContact O-CG 3.29Å; G314-L318 PolarHBondContact O-N 3.17Å; L315-L318 PolarHBondContact O-N 3.07Å; L318-L321 PolarHBondContact O-N 2.71Å; L318-A322 WeakPolarHBondContact O-CB 3.46Å; L318-A322 PolarHBondContact O-N 3.32Å
319	A	83.1	Confident	77.8	Confident	56 Å²	56	77.7 Å²	77.7	46%	0.463	51%	0.509	S	S	.	.	H	α-helix	trans	-63.3	-43.9	176.3	0	0	0	0	0	112.2	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.48Å; L315-A319 PolarHBondContact O-N 3.29Å; A316-A319 PolarHBondContact O-N 3.15Å; V317-A319 PolarHBondContact O-N 3.34Å; A319-A322 PolarHBondContact O-N 3Å; A319-V323 WeakPolarHBondContact O-CG2 3.37Å; A319-V323 PolarHBondContact O-N 3.46Å
320	V	83.6	Confident	78.4	Confident	89 Å²	89	75.6 Å²	75.6	54%	0.539	50%	0.496	S	S	.	.	H	α-helix	trans	-62.6	-44.2	175.7	170.5	0	0	0	0	111.3	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.21Å; A316-V320 PolarHBondContact O-N 3.43Å; V317-V320 PolarHBondContact O-N 2.68Å; V320-A322 PolarHBondContact O-N 3.18Å; V320-V323 PolarHBondContact O-N 2.89Å; V320-L324 HydrophobicContact CG1-CD1 3.99Å; V320-L324 HydrophobicContact CG1-CG 4.46Å; V320-L324 WeakPolarHBondContact O-CB 3.15Å; V320-L324 WeakPolarHBondContact O-CG 3.39Å; V320-L324 PolarHBondContact O-N 3.48Å
321	L	83.4	Confident	78.7	Confident	105 Å²	105	77.5 Å²	77.5	55%	0.55	50%	0.499	S	S	.	.	H	α-helix	trans	-64	-39.3	177	-70.9	172.2	0	0	0	112.4	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 3.91Å; V317-L321 HydrophobicContact CG1-CG 4.38Å; V317-L321 WeakPolarHBondContact O-CB 3.35Å; V317-L321 WeakPolarHBondContact O-CG 3.46Å; V317-L321 PolarHBondContact O-N 2.82Å; L318-L321 PolarHBondContact O-N 2.71Å; L321-L324 PolarHBondContact O-N 2.68Å; L321-G325 PolarHBondContact O-N 2.98Å
322	A	81.2	Confident	78.7	Confident	64 Å²	64	79.2 Å²	79.2	53%	0.529	51%	0.507	S	S	.	.	H	α-helix	trans	-63.9	-43.2	175	0	0	0	0	0	112.3	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.46Å; L318-A322 PolarHBondContact O-N 3.32Å; A319-A322 PolarHBondContact O-N 3Å; V320-A322 PolarHBondContact O-N 3.18Å; A322-G325 PolarHBondContact O-N 3.35Å; A322-A326 WeakPolarHBondContact O-CB 3.3Å; A322-A326 PolarHBondContact O-N 2.85Å
323	V	81.3	Confident	78	Confident	95 Å²	95	79.1 Å²	79.1	58%	0.576	51%	0.509	S	S	*	.	H	α-helix	trans	-63.6	-44.9	175.2	171.1	0	0	0	0	111.1	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.37Å; A319-V323 PolarHBondContact O-N 3.46Å; V320-V323 PolarHBondContact O-N 2.89Å; V323-G325 PolarHBondContact O-N 2.88Å; V323-A326 PolarHBondContact O-N 3.45Å; V323-V327 WeakPolarHBondContact O-CG2 3.3Å; V323-V327 PolarHBondContact O-N 2.76Å
324	L	80.1	Confident	77.3	Confident	100 Å²	100	85.7 Å²	85.7	52%	0.524	52%	0.523	S	S	.	.	H	α-helix	trans	-61.3	-44	176	-73.1	172.3	0	0	0	112	V320 L321 A326 V327 V328	V320-L324 HydrophobicContact CG1-CD1 3.99Å; V320-L324 HydrophobicContact CG1-CG 4.46Å; V320-L324 WeakPolarHBondContact O-CB 3.15Å; V320-L324 WeakPolarHBondContact O-CG 3.39Å; V320-L324 PolarHBondContact O-N 3.48Å; L321-L324 PolarHBondContact O-N 2.68Å; L324-A326 PolarHBondContact O-N 3.13Å; L324-V327 PolarHBondContact O-N 2.94Å; L324-V328 WeakPolarHBondContact O-CG2 3.15Å; L324-V328 PolarHBondContact O-N 3.38Å
325	G	79.8	Confident	76.2	Confident	42 Å²	42	94.1 Å²	94.1	43%	0.433	54%	0.544	S	S	.	.	H	α-helix	trans	-60.2	-43.5	175.1	0	0	0	0	0	112.7	L321 A322 V323 V328 A329	L321-G325 PolarHBondContact O-N 2.98Å; A322-G325 PolarHBondContact O-N 3.35Å; V323-G325 PolarHBondContact O-N 2.88Å; G325-V328 PolarHBondContact O-N 3.35Å; G325-A329 WeakPolarHBondContact O-CB 3.39Å; G325-A329 PolarHBondContact O-N 3.05Å
326	A	77.1	Confident	74.6	Confident	57 Å²	57	97.6 Å²	97.6	47%	0.471	56%	0.555	S	S	.	*	H	α-helix	trans	-64.1	-41.7	175.8	0	0	0	0	0	112.3	A322 V323 L324 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.3Å; A322-A326 PolarHBondContact O-N 2.85Å; V323-A326 PolarHBondContact O-N 3.45Å; L324-A326 PolarHBondContact O-N 3.13Å; A326-A329 PolarHBondContact O-N 3.43Å; A326-V330 WeakPolarHBondContact O-CG2 3.46Å; A326-V330 PolarHBondContact O-N 3.48Å
327	V	77.6	Confident	73.1	Confident	82 Å²	82	99.5 Å²	99.5	50%	0.497	56%	0.564	S	S	.	*	H	α-helix	trans	-62.8	-45.4	175.4	169.4	0	0	0	0	111.1	V323 L324 A329 V330 V331	V323-V327 WeakPolarHBondContact O-CG2 3.3Å; V323-V327 PolarHBondContact O-N 2.76Å; L324-V327 PolarHBondContact O-N 2.94Å; V327-A329 PolarHBondContact O-N 3.35Å; V327-V330 PolarHBondContact O-N 3.31Å; V327-V331 HydrophobicContact CG1-CG2 4.45Å; V327-V331 WeakPolarHBondContact O-CB 3.35Å; V327-V331 VanDerWaalsContact O-CG2 3.31Å; V327-V331 WeakPolarHBondContact O-CG2 3.42Å; V327-V331 PolarHBondContact O-N 3.16Å
328	V	75.4	Confident	71.5	Confident	86 Å²	86	100.1 Å²	100.1	52%	0.521	57%	0.573	S	S	.	*	H	α-helix	trans	-61.6	-44.1	176.1	172.3	0	0	0	0	111.1	L324 G325 V330 V331 M332	L324-V328 WeakPolarHBondContact O-CG2 3.15Å; L324-V328 PolarHBondContact O-N 3.38Å; G325-V328 PolarHBondContact O-N 3.35Å; V328-V330 PolarHBondContact O-N 2.97Å; V328-V331 PolarHBondContact O-N 3.2Å; V328-M332 HydrophobicContact CG1-CG 4.37Å; V328-M332 HydrophobicContact CG1-SD 4.14Å; V328-M332 WeakPolarHBondContact O-CB 2.93Å; V328-M332 WeakPolarHBondContact O-CG 3.35Å; V328-M332 PolarHBondContact O-N 2.94Å
329	A	72.6	Confident	69.6	Low	52 Å²	52	97.7 Å²	97.7	43%	0.43	58%	0.575	S	S	.	*	H	α-helix	trans	-60	-46.6	176.4	0	0	0	0	0	112.1	G325 A326 V327 V331 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.39Å; G325-A329 PolarHBondContact O-N 3.05Å; A326-A329 PolarHBondContact O-N 3.43Å; V327-A329 PolarHBondContact O-N 3.35Å; A329-V331 PolarHBondContact O-N 2.97Å; A329-M332 PolarHBondContact O-N 3.29Å; A329-C333 WeakPolarHBondContact O-CB 3.39Å; A329-C333 PolarHBondContact O-N 3.05Å; A329-C333 PolarHBondContact O-SG 3.09Å; A329-C333 VanDerWaalsContact O-SG 3.41Å
330	V	72.8	Confident	67.3	Low	81 Å²	81	99 Å²	99	49%	0.491	60%	0.595	S	S	.	*	H	α-helix	trans	-63	-40.7	176.8	169.2	0	0	0	0	111.9	A326 V327 V328 C333 R334	A326-V330 WeakPolarHBondContact O-CG2 3.46Å; A326-V330 PolarHBondContact O-N 3.48Å; V327-V330 PolarHBondContact O-N 3.31Å; V328-V330 PolarHBondContact O-N 2.97Å; V330-C333 PolarHBondContact O-N 3.01Å; V330-R334 WeakPolarHBondContact O-CB 3.47Å; V330-R334 PolarHBondContact O-N 2.87Å
331	V	71.6	Confident	65	Low	83 Å²	83	105.2 Å²	105.2	50%	0.503	61%	0.614	S	S	.	*	H	α-helix	trans	-66.3	-41.4	176.1	170.2	0	0	0	0	111.2	V327 V328 A329 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.45Å; V327-V331 WeakPolarHBondContact O-CB 3.35Å; V327-V331 VanDerWaalsContact O-CG2 3.31Å; V327-V331 WeakPolarHBondContact O-CG2 3.42Å; V327-V331 PolarHBondContact O-N 3.16Å; V328-V331 PolarHBondContact O-N 3.2Å; A329-V331 PolarHBondContact O-N 2.97Å; V331-R334 PolarHBondContact O-N 2.69Å; V331-R335 WeakPolarHBondContact O-CB 3.31Å; V331-R335 PolarHBondContact O-N 2.9Å
332	M	70.8	Confident	62.6	Low	129 Å²	129	104 Å²	104	64%	0.635	63%	0.627	S	S	*	*	H	α-helix	trans	-65.8	-42.3	175.7	-73.4	-172.7	72.2	0	0	112.2	V328 A329 R334 R335 K336	V328-M332 HydrophobicContact CG1-CG 4.37Å; V328-M332 HydrophobicContact CG1-SD 4.14Å; V328-M332 WeakPolarHBondContact O-CB 2.93Å; V328-M332 WeakPolarHBondContact O-CG 3.35Å; V328-M332 PolarHBondContact O-N 2.94Å; A329-M332 PolarHBondContact O-N 3.29Å; M332-R334 PolarHBondContact O-N 3.15Å; M332-R335 PolarHBondContact O-N 2.76Å; M332-K336 WeakPolarHBondContact O-CB 3.2Å; M332-K336 PolarHBondContact O-N 2.67Å
333	C	60.9	Low	60.2	Low	88 Å²	88	104.9 Å²	104.9	60%	0.595	64%	0.643	S	S	*	*	H	α-helix	trans	-59.8	-44.6	172.5	-74.7	0	0	0	0	111.6	A329 V330 R335 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.39Å; A329-C333 PolarHBondContact O-N 3.05Å; A329-C333 PolarHBondContact O-SG 3.09Å; A329-C333 VanDerWaalsContact O-SG 3.41Å; V330-C333 PolarHBondContact O-N 3.01Å; C333-R335 PolarHBondContact O-N 3.41Å; C333-K336 PolarHBondContact O-N 3Å; C333-K336 VanDerWaalsContact O-N 3.14Å; C333-S337 PolarHBondContact O-N 3.12Å; C333-S337 PolarHBondContact O-OG 3.2Å
334	R	60.2	Low	58	Low	189 Å²	189	105.7 Å²	105.7	71%	0.713	65%	0.653	S	S	*	*	H	α-helix	trans	-65.1	-35.2	175.9	-81.9	-177.1	153.9	167.3	-5.4	113.6	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.47Å; V330-R334 PolarHBondContact O-N 2.87Å; V331-R334 PolarHBondContact O-N 2.69Å; M332-R334 PolarHBondContact O-N 3.15Å; R334-K336 VanDerWaalsContact C-N 3.32Å; R334-S337 WeakPolarHBondContact CA-OG 3.29Å; R334-S337 PolarHBondContact O-OG 2.86Å; R334-S337 VanDerWaalsContact O-OG 3.06Å
335	R	56.2	Low	55.8	Low	213 Å²	213	106.4 Å²	106.4	80%	0.804	66%	0.664	S	S	*	*	H	α-helix	trans	-69.4	-27.6	171.9	-116.8	179.4	175.7	177.9	-1.2	112.9	V331 M332 C333 S338	V331-R335 WeakPolarHBondContact O-CB 3.31Å; V331-R335 PolarHBondContact O-N 2.9Å; M332-R335 PolarHBondContact O-N 2.76Å; C333-R335 PolarHBondContact O-N 3.41Å; R335-S338 PolarHBondContact O-OG 3.24Å
336	K	49.5	Very low	53.5	Low	182 Å²	182	110.7 Å²	110.7	79%	0.791	69%	0.688	S	S	*	*	H	α-helix	trans	-84.9	-22.7	177.9	-164.3	170.1	-177.9	178.9	0	113.2	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.2Å; M332-K336 PolarHBondContact O-N 2.67Å; C333-K336 PolarHBondContact O-N 3Å; C333-K336 VanDerWaalsContact O-N 3.14Å; R334-K336 VanDerWaalsContact C-N 3.32Å
337	S	51.1	Low	51.5	Low	94 Å²	94	117.2 Å²	117.2	66%	0.657	71%	0.709	S	S	*	*	S	Bend	trans	-84.1	-5.6	177.4	57.8	0	0	0	0	115.1	C333 R334 G339	C333-S337 PolarHBondContact O-N 3.12Å; C333-S337 PolarHBondContact O-OG 3.2Å; R334-S337 WeakPolarHBondContact CA-OG 3.29Å; R334-S337 PolarHBondContact O-OG 2.86Å; R334-S337 VanDerWaalsContact O-OG 3.06Å; S337-G339 VanDerWaalsContact C-N 3.32Å; S337-G339 PolarHBondContact O-N 2.92Å
338	S	49.9	Very low	49.3	Very low	101 Å²	101	118 Å²	118	71%	0.706	72%	0.723	S	S	*	*	S	Bend	trans	-90.8	26.3	-177.8	66.5	0	0	0	0	114.6	R335	R335-S338 PolarHBondContact O-OG 3.24Å
339	G	43.2	Very low	47.2	Very low	63 Å²	63	118.5 Å²	118.5	65%	0.649	74%	0.736	S	S	*	*	S	Bend	trans	-174.2	139.2	173.4	0	0	0	0	0	113.6	S337	S337-G339 VanDerWaalsContact C-N 3.32Å; S337-G339 PolarHBondContact O-N 2.92Å
340	G	35.5	Very low	45.6	Very low	85 Å²	85	121.6 Å²	121.6	88%	0.876	76%	0.755	S	S	*	*			trans	104.1	72.2	169.3	0	0	0	0	0	116.4
341	K	34.2	Very low	43.7	Very low	219 Å²	219	123.3 Å²	123.3	95%	0.952	77%	0.771	S	S	*	*			trans	-67.7	131.6	172	174.9	-176.8	-177.1	177.4	0	112.6
342	G	34	Very low	42.1	Very low	79 Å²	79	127.6 Å²	127.6	81%	0.814	79%	0.791	S	S	*	*			trans	146.6	147.9	157.7	0	0	0	0	0	117.6
343	G	30.6	Very low	40.6	Very low	83 Å²	83	127.4 Å²	127.4	86%	0.856	80%	0.802	S	S	*	*			trans	112.3	138.9	170.4	0	0	0	0	0	115
344	S	35.6	Very low	39.5	Very low	112 Å²	112	128 Å²	128	78%	0.783	81%	0.814	S	S	*	*			trans	-150.2	151	-179.4	-170.6	0	0	0	0	112.9
345	C	32.9	Very low	38.4	Very low	114 Å²	114	128.8 Å²	128.8	77%	0.77	83%	0.825	S	S	*	*			trans	39.1	126.2	162.8	-71.2	0	0	0	0	122
346	S	31.2	Very low	37.2	Very low	132 Å²	132	121.8 Å²	121.8	92%	0.923	82%	0.82	S	S	*	*				-150.1	158.5	129.7	-64.2	0	0	0	0	109.3
347	Q	36.2	Very low	36.7	Very low	195 Å²	195	118.4 Å²	118.4	91%	0.911	82%	0.819	S	S	*	*			trans	-138.7	165.4	-173.7	-178.4	178.3	-4.1	0	0	110
348	A	30.4	Very low	36	Very low	98 Å²	98	121.1 Å²	121.1	81%	0.81	83%	0.826	S	S	*	*			trans	80.2	157.5	171.2	0	0	0	0	0	115.3
349	A	32.1	Very low	35.3	Very low	96 Å²	96	124.4 Å²	124.4	79%	0.793	83%	0.83	S	S	*	*			cis	-147.8	169.4	-0.4	0	0	0	0	0	112.3
350	S	39.3	Very low	34.8	Very low	117 Å²	117	127.3 Å²	127.3	82%	0.818	84%	0.841	S	S	*	*			trans	-76	157.5	167	53.3	0	0	0	0	113.1
351	S	33.1	Very low	34.8	Very low	118 Å²	118	130.5 Å²	130.5	83%	0.825	84%	0.837	S	S	*	*			trans	-140	138.4	155.8	52.6	0	0	0	0	111.8
352	N	37	Very low	34.7	Very low	173 Å²	173	127.4 Å²	127.4	93%	0.925	83%	0.829	S	S	*	*			trans	-119.3	154.9	169.1	-90	-10.1	0	0	0	108.1
353	S	38.7	Very low	34.6	Very low	125 Å²	125	128.4 Å²	128.4	87%	0.874	83%	0.83	S	S	*	*			trans	-147.8	151.4	161.8	50.9	0	0	0	0	109.8
354	A	38.6	Very low	34.7	Very low	101 Å²	101	130.6 Å²	130.6	84%	0.835	83%	0.83	S	S	*	*			trans	-153.3	153.1	-166.3	0	0	0	0	0	113.7
355	Q	37.4	Very low	34.7	Very low	204 Å²	204	134.7 Å²	134.7	95%	0.953	83%	0.834	S	S	*	*			trans	-165.2	148.5	165.8	-97.5	163	-23.2	0	0	105.2
356	G	31.5	Very low	34.9	Very low	67 Å²	67	137.4 Å²	137.4	69%	0.691	87%	0.865	S	S	*	*			cis	137.3	120.2	4.6	0	0	0	0	0	108.6
357	S	38	Very low	35.1	Very low	111 Å²	111	137.7 Å²	137.7	78%	0.776	86%	0.862	S	S	*	*			cis	-135	-136.9	8.7	-60	0	0	0	0	109.9
358	D	36.4	Very low	35.1	Very low	151 Å²	151	134.7 Å²	134.7	81%	0.807	86%	0.859	S	S	*	*			cis	-159.3	-176.7	3.6	-137.1	-51.6	0	0	0	112.2
359	E	35.5	Very low	35.3	Very low	170 Å²	170	136.7 Å²	136.7	79%	0.794	86%	0.862	S	S	*	*			trans	-76.6	150.9	-168.8	-62.5	-168.8	107	0	0	117.9
360	S	32.8	Very low	35.5	Very low	124 Å²	124	139.1 Å²	139.1	87%	0.867	87%	0.866	S	S	*	*				-172.9	160.2	117.3	35	0	0	0	0	112.2
361	L	34.5	Very low	35.3	Very low	152 Å²	152	140.5 Å²	140.5	80%	0.796	87%	0.869	S	S	*	*			trans	-135.8	156.4	-165.8	-106.7	172.1	0	0	0	112.8
362	I	33.1	Very low	35.4	Very low	154 Å²	154	142 Å²	142	79%	0.79	87%	0.872	S	S	*	*			trans	68.7	115.2	160.6	-59	153.5	0	0	0	117.8
363	A	32.8	Very low	35.3	Very low	100 Å²	100	139.8 Å²	139.8	83%	0.826	87%	0.868	S	S	*	*				-162.4	149.3	123.1	0	0	0	0	0	110.5
364	C	32.5	Very low	35	Very low	128 Å²	128	140.9 Å²	140.9	87%	0.865	87%	0.868	S	S	*	*			trans	-103.2	159.3	-173.8	-76.8	0	0	0	0	114.2
365	K	34.5	Very low	34.7	Very low	199 Å²	199	144.3 Å²	144.3	87%	0.865	87%	0.87	S	S	*	*			trans	-16.8	140.2	153.1	-72.9	178	166.8	-177.7	0	116.6
366	A	38.2	Very low	34.5	Very low	171 Å²	171	138.8 Å²	138.8	100%	1.413	86%	0.863	S	S	*	*				-110.1	0	108	0	0	0	0	0	107.5

Retrieved 366 of 366 residues in 203 ms (Link to these results)

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