A0A089WV06_HUMAN Loading...

MHC class I antigen

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

AlphaFold DB , UniProt , Accession A0A089WV06, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 338 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	33.9	Very low	42.3	Very low	238 Å²	238	144.2 Å²	144.2	100%	1.172	72%	0.723	S	S	*	*				0	102.6	0	-74.3	166.9	171.1	0	0	108.1
2	R	34.2	Very low	42.5	Very low	251 Å²	251	143.4 Å²	143.4	95%	0.947	72%	0.721	S	S	*	*			trans	-86.8	107.3	170.9	-104.1	179.7	174.4	167.1	-1.9	106.4	M4	R2-M4 PolarHBondContact O-N 3.12Å; R2-M4 VanDerWaalsContact O-N 3.12Å
3	V	37.4	Very low	42.1	Very low	141 Å²	141	140.2 Å²	140.2	86%	0.855	71%	0.707	S	S	*	*			trans	-71.4	104.8	171.9	179.4	0	0	0	0	106.5	A5	V3-A5 PolarHBondContact O-N 3.27Å
4	M	41.1	Very low	42	Very low	181 Å²	181	134.7 Å²	134.7	89%	0.892	69%	0.688	S	S	*	*			trans	-79.1	100.7	174.3	-140	167.9	67.3	0	0	106.3	R2	R2-M4 PolarHBondContact O-N 3.12Å; R2-M4 VanDerWaalsContact O-N 3.12Å
5	A	45.3	Very low	42	Very low	59 Å²	59	128.1 Å²	128.1	49%	0.488	67%	0.666	S	S	.	*			trans	-60.5	137.9	171.9	0	0	0	0	0	108.9	V3 R7	V3-A5 PolarHBondContact O-N 3.27Å; A5-R7 PolarHBondContact O-N 3.27Å
6	P	43.3	Very low	41.8	Very low	71 Å²	71	123.2 Å²	123.2	46%	0.461	65%	0.65	S	S	.	*			trans	-62.5	127	-178.6	-14.3	27.3	0	0	0	109.4	T8 L9	P6-T8 PolarHBondContact O-N 2.88Å; P6-L9 HydrophobicContact CG-CD1 4.15Å; P6-L9 WeakPolarHBondContact O-CB 3.46Å; P6-L9 PolarHBondContact O-N 3.35Å
7	R	47.6	Very low	41.3	Very low	220 Å²	220	122.6 Å²	122.6	83%	0.83	65%	0.647	S	S	*	*	H	α-helix	trans	-53.2	-25.1	175.4	-86	177.6	162.9	149.9	-6.2	113	A5 L11	A5-R7 PolarHBondContact O-N 3.27Å; R7-L11 PolarHBondContact O-N 3.03Å
8	T	47.3	Very low	41.2	Very low	101 Å²	101	118.9 Å²	118.9	62%	0.62	64%	0.637	S	S	*	*	H	α-helix	trans	-66.5	-34.1	173.2	19.8	0	0	0	0	113.8	P6 L12	P6-T8 PolarHBondContact O-N 2.88Å; T8-L12 WeakPolarHBondContact O-CG 3.45Å; T8-L12 PolarHBondContact O-N 3.23Å
9	L	41.3	Very low	41	Very low	101 Å²	101	117.3 Å²	117.3	53%	0.529	63%	0.627	S	S	.	*	H	α-helix	trans	-72.7	-33.7	179	-122.3	115.8	0	0	0	111.8	P6 L13	P6-L9 HydrophobicContact CG-CD1 4.15Å; P6-L9 WeakPolarHBondContact O-CB 3.46Å; P6-L9 PolarHBondContact O-N 3.35Å; L9-L13 WeakPolarHBondContact O-CD1 3.43Å; L9-L13 WeakPolarHBondContact O-CG 3.37Å; L9-L13 PolarHBondContact O-N 2.99Å; L9-L13 VanDerWaalsContact O-N 3.15Å
10	I	45.4	Very low	40.7	Very low	98 Å²	98	116.2 Å²	116.2	50%	0.503	63%	0.625	S	S	.	*	H	α-helix	trans	-71	-38.5	178.5	-62.4	172.3	0	0	0	110.6	L13 S14	I10-L13 PolarHBondContact O-N 3.23Å; I10-S14 PolarHBondContact O-N 3.15Å; I10-S14 PolarHBondContact O-OG 3.01Å
11	L	48.9	Very low	40.6	Very low	125 Å²	125	118.5 Å²	118.5	65%	0.654	63%	0.632	S	S	*	*	H	α-helix	trans	-68.2	-39.5	176.2	-76.3	164.1	0	0	0	112.8	R7 S14 G15	R7-L11 PolarHBondContact O-N 3.03Å; L11-S14 WeakPolarHBondContact O-CB 3.43Å; L11-S14 PolarHBondContact O-N 3.47Å; L11-G15 PolarHBondContact O-N 2.65Å
12	L	44.3	Very low	41	Very low	135 Å²	135	112 Å²	112	71%	0.707	61%	0.606	S	S	*	*	H	α-helix	trans	-64.7	-39.1	175	-76.5	164.6	0	0	0	112.3	T8 S14 A16	T8-L12 WeakPolarHBondContact O-CG 3.45Å; T8-L12 PolarHBondContact O-N 3.23Å; L12-S14 VanDerWaalsContact C-N 3.33Å; L12-A16 WeakPolarHBondContact O-CB 3.23Å; L12-A16 PolarHBondContact O-N 3.18Å
13	L	37.5	Very low	41.8	Very low	102 Å²	102	104.3 Å²	104.3	53%	0.534	58%	0.577	S	S	.	*	H	α-helix	trans	-68.5	-32.1	173.9	-78	160.1	0	0	0	112.4	L9 I10 L17	L9-L13 WeakPolarHBondContact O-CD1 3.43Å; L9-L13 WeakPolarHBondContact O-CG 3.37Å; L9-L13 PolarHBondContact O-N 2.99Å; L9-L13 VanDerWaalsContact O-N 3.15Å; I10-L13 PolarHBondContact O-N 3.23Å; L13-L17 WeakPolarHBondContact O-CB 3.48Å; L13-L17 WeakPolarHBondContact O-CD1 3.25Å; L13-L17 WeakPolarHBondContact O-CG 3.47Å; L13-L17 PolarHBondContact O-N 3Å
14	S	41	Very low	42.6	Very low	63 Å²	63	99.9 Å²	99.9	44%	0.441	56%	0.555	S	S	.	*	H	α-helix	trans	-69.9	-42	176.6	-50.1	0	0	0	0	111.9	I10 L11 L12 A18	I10-S14 PolarHBondContact O-N 3.15Å; I10-S14 PolarHBondContact O-OG 3.01Å; L11-S14 WeakPolarHBondContact O-CB 3.43Å; L11-S14 PolarHBondContact O-N 3.47Å; L12-S14 VanDerWaalsContact C-N 3.33Å; S14-A18 WeakPolarHBondContact O-CB 3.37Å; S14-A18 PolarHBondContact O-N 2.89Å; S14-A18 VanDerWaalsContact O-N 3.09Å
15	G	42	Very low	44.1	Very low	35 Å²	35	93.7 Å²	93.7	36%	0.361	53%	0.53	S	S	.	.	H	α-helix	trans	-66.7	-40.9	174.8	0	0	0	0	0	112.4	L11 L19	L11-G15 PolarHBondContact O-N 2.65Å; G15-L19 WeakPolarHBondContact O-CB 3.34Å; G15-L19 WeakPolarHBondContact O-CD1 3.41Å; G15-L19 WeakPolarHBondContact O-CG 3.36Å; G15-L19 PolarHBondContact O-N 2.73Å
16	A	39	Very low	46.2	Very low	50 Å²	50	94.3 Å²	94.3	41%	0.413	53%	0.53	S	S	.	.	H	α-helix	trans	-67.2	-39.4	176.6	0	0	0	0	0	113	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.23Å; L12-A16 PolarHBondContact O-N 3.18Å; A16-L19 PolarHBondContact O-N 2.97Å; A16-T20 WeakPolarHBondContact O-CG2 3.27Å; A16-T20 PolarHBondContact O-N 3.03Å; A16-T20 PolarHBondContact O-OG1 2.8Å
17	L	33.5	Very low	48.7	Very low	113 Å²	113	92.1 Å²	92.1	59%	0.592	51%	0.514	S	S	*	.	H	α-helix	trans	-68	-39.4	176.2	-81.2	160.6	0	0	0	112.2	L13 L19 T20 E21	L13-L17 WeakPolarHBondContact O-CB 3.48Å; L13-L17 WeakPolarHBondContact O-CD1 3.25Å; L13-L17 WeakPolarHBondContact O-CG 3.47Å; L13-L17 PolarHBondContact O-N 3Å; L17-L19 VanDerWaalsContact C-N 3.34Å; L17-T20 WeakPolarHBondContact CA-OG1 3.37Å; L17-T20 PolarHBondContact O-N 3.09Å; L17-T20 PolarHBondContact O-OG1 3.08Å; L17-E21 PolarHBondContact O-N 2.91Å; L17-E21 VanDerWaalsContact O-N 3.15Å
18	A	38.1	Very low	51.1	Low	56 Å²	56	82.5 Å²	82.5	46%	0.463	48%	0.48	S	S	.	.	H	α-helix	trans	-67.1	-33.4	173.4	0	0	0	0	0	112.8	S14 T22	S14-A18 WeakPolarHBondContact O-CB 3.37Å; S14-A18 PolarHBondContact O-N 2.89Å; S14-A18 VanDerWaalsContact O-N 3.09Å; A18-T22 PolarHBondContact O-OG1 2.65Å
19	L	37.6	Very low	53.5	Low	88 Å²	88	77.7 Å²	77.7	46%	0.461	45%	0.451	S	S	.	.	H	α-helix	trans	-69.6	-31.5	173.4	-84.6	158.5	0	0	0	112.7	G15 A16 L17 T22 W23	G15-L19 WeakPolarHBondContact O-CB 3.34Å; G15-L19 WeakPolarHBondContact O-CD1 3.41Å; G15-L19 WeakPolarHBondContact O-CG 3.36Å; G15-L19 PolarHBondContact O-N 2.73Å; A16-L19 PolarHBondContact O-N 2.97Å; L17-L19 VanDerWaalsContact C-N 3.34Å; L19-T22 PolarHBondContact O-OG1 3.04Å; L19-W23 VanDerWaalsContact O-CD1 3.22Å
20	T	36	Very low	56.2	Low	96 Å²	96	75.6 Å²	75.6	59%	0.589	44%	0.437	S	S	*	.	H	α-helix	trans	-81.1	-30	177.7	49.2	0	0	0	0	113.9	A16 L17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.27Å; A16-T20 PolarHBondContact O-N 3.03Å; A16-T20 PolarHBondContact O-OG1 2.8Å; L17-T20 WeakPolarHBondContact CA-OG1 3.37Å; L17-T20 PolarHBondContact O-N 3.09Å; L17-T20 PolarHBondContact O-OG1 3.08Å; T20-T22 VanDerWaalsContact C-N 3.32Å
21	E	37.9	Very low	58.8	Low	164 Å²	164	71.5 Å²	71.5	77%	0.766	42%	0.416	S	S	*	.	H	α-helix	trans	-71.9	-25.8	177.6	-98	-176.8	165.7	0	0	113	L17 W23	L17-E21 PolarHBondContact O-N 2.91Å; L17-E21 VanDerWaalsContact O-N 3.15Å; E21-W23 VanDerWaalsContact C-N 3.27Å; E21-W23 PolarHBondContact O-N 3.03Å
22	T	42.2	Very low	61.1	Low	102 Å²	102	69.4 Å²	69.4	63%	0.626	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-5.8	-176.6	37.7	0	0	0	0	114.4	A18 L19 T20	A18-T22 PolarHBondContact O-OG1 2.65Å; L19-T22 PolarHBondContact O-OG1 3.04Å; T20-T22 VanDerWaalsContact C-N 3.32Å
23	W	51.1	Low	63.7	Low	89 Å²	89	63.7 Å²	63.7	34%	0.337	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.9	16.7	-174.3	-66	70.1	0	0	0	112.8	L19 E21 C25 H287 E288 L290	L19-W23 VanDerWaalsContact O-CD1 3.22Å; E21-W23 VanDerWaalsContact C-N 3.27Å; E21-W23 PolarHBondContact O-N 3.03Å; W23-C25 PolarHBondContact O-N 2.89Å; W23-H287 WeakPolarHBondContact CH2-O 3.38Å; W23-H287 WeakPolarHBondContact CZ3-O 3.1Å; W23-E288 VanDerWaalsContact CE3-CA 3.48Å; W23-E288 HydrophobicContact CE3-CB 4.26Å; W23-E288 HydrophobicContact CE3-CG 4.04Å; W23-E288 HydrophobicContact CZ3-CB 4.31Å; W23-E288 HydrophobicContact CZ3-CG 4.44Å; W23-E288 WeakPolarHBondContact CZ3-O 3.32Å; W23-L290 WeakPolarHBondContact CH2-O 3.38Å; W23-L290 WeakPolarHBondContact CZ3-O 3.45Å
24	A	54.9	Low	66.7	Low	48 Å²	48	60.8 Å²	60.8	40%	0.397	36%	0.358	S	S	.	.	S	Bend	trans	-74	97.9	169.9	0	0	0	0	0	106.9	S26 P129	A24-S26 PolarHBondContact O-N 3.49Å; A24-P129 HydrophobicContact CB-CG 3.36Å
25	C	71.5	Confident	69.4	Low	52 Å²	52	57.9 Å²	57.9	35%	0.351	34%	0.337	S	S	.	.			trans	-47.6	101.6	-174.2	-155.9	0	0	0	0	110.7	W23 P129 E288	W23-C25 PolarHBondContact O-N 2.89Å; C25-P129 WeakPolarHBondContact O-CA 3.49Å; C25-E288 PolarHBondContact SG-OE1 2.91Å
26	S	90.4	Very high	72.1	Confident	71 Å²	71	58.7 Å²	58.7	50%	0.497	34%	0.335	S	S	.	.			trans	-107.5	142.9	179.5	63.1	0	0	0	0	108.4	A24 L127	A24-S26 PolarHBondContact O-N 3.49Å; S26-L127 WeakPolarHBondContact CA-O 3.36Å; S26-L127 WeakPolarHBondContact CB-O 3.33Å
27	H	95.2	Very high	74.9	Confident	25 Å²	25	57.1 Å²	57.1	12%	0.116	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	149.9	-179	-66.7	-73.9	0	0	0	110.9	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.23Å; H27-D53 WeakPolarHBondContact CA-OD1 3.39Å; H27-D53 IonicContact CE1-OD2 2.8Å; H27-D53 IonicContact CG-OD2 3.36Å; H27-D53 IonicContact ND1-OD1 3.58Å; H27-D53 IonicContact ND1-OD2 2.66Å; H27-D53 PolarHBondContact ND1-OD2 2.84Å; H27-D126 CarbonylContact O-C 3.54Å; H27-D126 WeakPolarHBondContact O-CA 3.32Å; H27-L127 PolarHBondContact N-O 2.65Å; H27-L127 VanDerWaalsContact N-O 3.15Å; H27-L127 PolarHBondContact O-N 3.28Å; H27-L192 HydrophobicContact CB-CD1 4.41Å; H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 3.96Å; H27-L196 HydrophobicContact CB-CG 4.39Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.44Å
28	S	97.3	Very high	77.9	Confident	18 Å²	18	55.2 Å²	55.2	13%	0.126	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148.2	179.2	67.5	0	0	0	0	111.9	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.48Å; S28-D53 PolarHBondContact N-OD1 3.24Å; S28-D53 PolarHBondContact O-N 2.89Å; S28-C125 CarbonylContact C-O 3.57Å; S28-C125 WeakPolarHBondContact CA-O 3.46Å; S28-D126 WeakPolarHBondContact CB-OD1 3.4Å
29	M	98.5	Very high	80.5	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.3	168	-176.7	168.3	65.8	0	0	108.5	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.27Å; M29-Y31 HydrophobicContact CG-CE2 4.05Å; M29-Y31 HydrophobicContact SD-CE2 4.1Å; M29-Y51 WeakPolarHBondContact CA-O 3.46Å; M29-V52 HydrophobicContact CG-CG2 4.35Å; M29-F57 HydrophobicContact CG-CE1 4.48Å; M29-F57 HydrophobicContact SD-CZ 4.33Å; M29-G124 CarbonylContact O-C 3.58Å; M29-G124 WeakPolarHBondContact O-CA 3.34Å; M29-C125 PolarHBondContact N-O 2.82Å; M29-C125 PolarHBondContact O-N 3.19Å; M29-C188 HydrophobicContact CE-CB 4.23Å; M29-C188 WeakPolarHBondContact CE-O 3.25Å; M29-C188 VanDerWaalsContact CE-SG 3.55Å; M29-W191 HydrophobicContact CE-CB 3.95Å; M29-W191 HydrophobicContact SD-CB 4.43Å; M29-L192 HydrophobicContact CB-CB 4.03Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 3.93Å; M29-L192 HydrophobicContact CB-CG 4.21Å; M29-L192 HydrophobicContact CE-CB 4.2Å; M29-L192 HydrophobicContact SD-CB 4.34Å; M29-Y195 HydrophobicContact SD-CD2 3.64Å; M29-Y195 HydrophobicContact SD-CE2 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å
30	K	98.6	Very high	83.1	Confident	56 Å²	56	55.2 Å²	55.2	24%	0.243	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.5	-176.1	-65.3	177.1	-176.8	165.7	0	110.7	F32 G50 Y51 M122	K30-F32 HydrophobicContact CB-CD2 4.49Å; K30-F32 HydrophobicContact CB-CE2 3.65Å; K30-F32 HydrophobicContact CB-CZ 3.9Å; K30-F32 HydrophobicContact CD-CZ 4.25Å; K30-G50 WeakPolarHBondContact O-CA 3.5Å; K30-Y51 PolarHBondContact N-O 3.37Å; K30-Y51 PolarHBondContact O-N 2.96Å; K30-M122 HydrophobicContact CG-SD 4.41Å
31	Y	98.8	Very high	85.9	Confident	13 Å²	13	60.5 Å²	60.5	5%	0.051	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135.3	169.3	-68.4	-93.8	0	0	0	109.3	M29 F33 V49 F57 V58 M122 C123	M29-Y31 HydrophobicContact CE-CE2 4.27Å; M29-Y31 HydrophobicContact CG-CE2 4.05Å; M29-Y31 HydrophobicContact SD-CE2 4.1Å; Y31-F33 HydrophobicContact CD1-CZ 4.42Å; Y31-F33 HydrophobicContact CG-CZ 4.29Å; Y31-V49 WeakPolarHBondContact CA-O 2.78Å; Y31-F57 HydrophobicContact CE1-CZ 4.04Å; Y31-F57 AromaticContact CZ-CZ 3.74Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.35Å; Y31-V58 HydrophobicContact CE1-CG2 3.91Å; Y31-M122 WeakPolarHBondContact O-CA 3.37Å; Y31-C123 PolarHBondContact N-O 3.16Å; Y31-C123 PolarHBondContact O-N 2.85Å; Y31-C123 VanDerWaalsContact O-N 3.1Å
32	F	98.8	Very high	88.4	Confident	80 Å²	80	55.5 Å²	55.5	35%	0.351	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.3	175.9	-56.1	-94.7	0	0	0	108.4	K30 S48 V49 Y51 M122	K30-F32 HydrophobicContact CB-CD2 4.49Å; K30-F32 HydrophobicContact CB-CE2 3.65Å; K30-F32 HydrophobicContact CB-CZ 3.9Å; K30-F32 HydrophobicContact CD-CZ 4.25Å; F32-S48 CarbonylContact O-C 3.53Å; F32-S48 WeakPolarHBondContact O-CA 3.33Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.29Å; F32-V49 PolarHBondContact N-O 3.03Å; F32-V49 PolarHBondContact O-N 3.05Å; F32-Y51 HydrophobicContact CD2-CD2 4.16Å; F32-Y51 HydrophobicContact CE2-CD2 4.14Å; F32-M122 HydrophobicContact CD1-CB 4.09Å; F32-M122 HydrophobicContact CD1-CG 3.61Å; F32-M122 HydrophobicContact CE1-CB 4.29Å; F32-M122 HydrophobicContact CE1-CG 3.42Å; F32-M122 VanDerWaalsContact CE1-CG 3.42Å; F32-M122 HydrophobicContact CG-CG 4.43Å; F32-M122 HydrophobicContact CZ-CG 4.1Å
33	F	98.8	Very high	91	Very high	15 Å²	15	54.9 Å²	54.9	7%	0.066	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	135.6	177.3	-50.4	-87.6	0	0	0	109	Y31 F46 I47 S48 Y91 Q120 W121	Y31-F33 HydrophobicContact CD1-CZ 4.42Å; Y31-F33 HydrophobicContact CG-CZ 4.29Å; F33-F46 HydrophobicContact CB-CE2 4.13Å; F33-F46 HydrophobicContact CB-CZ 4.39Å; F33-F46 HydrophobicContact CD1-CE1 4.4Å; F33-F46 HydrophobicContact CD1-CE2 4.05Å; F33-F46 AromaticContact CD1-CZ 3.49Å; F33-F46 HydrophobicContact CD1-CZ 3.49Å; F33-F46 VanDerWaalsContact CD1-CZ 3.49Å; F33-F46 HydrophobicContact CE1-CZ 4.21Å; F33-F46 HydrophobicContact CG-CE2 4.5Å; F33-F46 HydrophobicContact CG-CZ 4.35Å; F33-I47 CarbonylContact C-O 3.59Å; F33-I47 WeakPolarHBondContact CA-O 3.33Å; F33-S48 VanDerWaalsContact CD1-CB 3.49Å; F33-S48 WeakPolarHBondContact CD1-OG 3.31Å; F33-S48 WeakPolarHBondContact CE1-OG 3.04Å; F33-Y91 HydrophobicContact CE1-CD1 4.01Å; F33-Y91 AromaticContact CE1-CE1 3.97Å; F33-Y91 HydrophobicContact CE1-CE1 3.97Å; F33-Q120 CarbonylContact O-C 3.58Å; F33-Q120 VanDerWaalsContact O-CA 3.27Å; F33-Q120 WeakPolarHBondContact O-CA 3.47Å; F33-W121 HydrophobicContact CB-CB 4.22Å; F33-W121 HydrophobicContact CB-CE3 4.46Å; F33-W121 HydrophobicContact CD2-CB 4.14Å; F33-W121 AromaticContact CD2-CD2 3.68Å; F33-W121 HydrophobicContact CD2-CD2 3.68Å; F33-W121 AromaticContact CD2-CE3 3.29Å; F33-W121 HydrophobicContact CD2-CE3 3.29Å; F33-W121 HydrophobicContact CD2-CG 4.07Å; F33-W121 AromaticContact CD2-CZ3 3.88Å; F33-W121 HydrophobicContact CD2-CZ3 3.88Å; F33-W121 WeakPolarHBondContact CD2-O 3.4Å; F33-W121 HydrophobicContact CE2-CD2 4.01Å; F33-W121 AromaticContact CE2-CE3 3.55Å; F33-W121 HydrophobicContact CE2-CE3 3.55Å; F33-W121 HydrophobicContact CE2-CH2 4.22Å; F33-W121 AromaticContact CE2-CZ3 3.64Å; F33-W121 HydrophobicContact CE2-CZ3 3.64Å; F33-W121 AromaticContact CG-CE3 3.9Å; F33-W121 HydrophobicContact CG-CE3 3.9Å; F33-W121 HydrophobicContact CZ-CE3 4.34Å; F33-W121 HydrophobicContact CZ-CZ3 4.09Å; F33-W121 PolarHBondContact N-O 3Å; F33-W121 PolarHBondContact O-N 3.12Å
34	T	98.9	Very high	93.2	Very high	42 Å²	42	52 Å²	52	26%	0.258	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	121.6	177.6	-57.4	0	0	0	0	109.3	V36 F46 I47 T118 Q120	T34-V36 HydrophobicContact CG2-CG2 4.01Å; T34-F46 WeakPolarHBondContact O-CA 3.35Å; T34-I47 PolarHBondContact N-O 2.84Å; T34-I47 PolarHBondContact O-N 2.92Å; T34-T118 HydrophobicContact CG2-CG2 4.08Å; T34-Q120 HydrophobicContact CG2-CG 4.17Å
35	S	98.8	Very high	95.3	Very high	1 Å²	1	54 Å²	54	1%	0.007	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	119.6	177	-76	0	0	0	0	110.3	R45 F46 D98 T118 L119	S35-R45 CarbonylContact C-O 3.55Å; S35-R45 VanDerWaalsContact CA-O 3.31Å; S35-R45 WeakPolarHBondContact CA-O 3.47Å; S35-F46 VanDerWaalsContact OG-CD2 3.29Å; S35-F46 WeakPolarHBondContact OG-CD2 3.15Å; S35-D98 WeakPolarHBondContact OG-CB 3.41Å; S35-D98 PolarHBondContact OG-OD2 3.01Å; S35-T118 CarbonylContact O-C 3.51Å; S35-T118 WeakPolarHBondContact O-CA 3.45Å; S35-L119 PolarHBondContact N-O 2.92Å; S35-L119 PolarHBondContact O-N 2.88Å
36	V	98.6	Very high	96.6	Very high	52 Å²	52	51.6 Å²	51.6	32%	0.315	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	114.7	-178.3	-172.8	0	0	0	0	109.6	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 4.01Å; V36-P44 CarbonylContact O-C 3.47Å; V36-P44 WeakPolarHBondContact O-CA 3.39Å; V36-P44 WeakPolarHBondContact O-CB 3.48Å; V36-R45 PolarHBondContact N-O 3.18Å; V36-R45 PolarHBondContact O-N 3.47Å; V36-H117 WeakPolarHBondContact CA-O 3.36Å; V36-T118 HydrophobicContact CG2-CG2 4.25Å
37	S	98.1	Very high	97	Very high	18 Å²	18	50.6 Å²	50.6	13%	0.126	28%	0.276	C	S	.	.			trans	-69.2	144.8	174.5	75.8	0	0	0	0	110.5	S116 H117	S37-S116 PolarHBondContact O-OG 3.09Å; S37-H117 PolarHBondContact N-O 3.07Å; S37-H117 PolarHBondContact OG-N 3.35Å; S37-H117 PolarHBondContact OG-O 2.96Å
38	R	96.4	Very high	97.1	Very high	73 Å²	73	49.4 Å²	49.4	28%	0.275	27%	0.271	S	S	.	.			trans	-137.5	73.8	-178.8	54.1	174.3	174.4	-160.9	-13.3	111.2	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 2.88Å; R38-R41 HydrophobicContact CB-CB 4.09Å; R38-R41 WeakPolarHBondContact CD-O 3.25Å; R38-R41 HydrophobicContact CG-CB 4.12Å; R38-R41 PolarHBondContact NE-O 2.92Å; R38-R41 WeakPolarHBondContact O-CA 3.35Å; R38-R41 PolarHBondContact O-N 3.3Å; R38-E43 VanDerWaalsContact CZ-O 3.29Å; R38-E43 PolarHBondContact NE-O 3.2Å; R38-E43 PolarHBondContact NH2-O 3.26Å; R38-D63 IonicContact CZ-OD1 3.49Å; R38-D63 IonicContact CZ-OD2 2.81Å; R38-D63 IonicContact NH1-OD1 3.39Å; R38-D63 PolarHBondContact NH1-OD1 2.8Å; R38-D63 IonicContact NH1-OD2 3.86Å; R38-D63 PolarHBondContact NH1-OD2 2.99Å; R38-D63 IonicContact NH2-OD1 2.76Å; R38-D63 PolarHBondContact NH2-OD1 2.89Å; R38-D63 IonicContact NH2-OD2 2.8Å
39	P	92.9	Very high	97.2	Very high	55 Å²	55	50.1 Å²	50.1	36%	0.357	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	130.6	-176.8	-26.8	34.4	0	0	0	112.4	R41 E113 G115	P39-R41 PolarHBondContact O-N 2.94Å; P39-E113 VanDerWaalsContact CB-O 3.32Å; P39-E113 WeakPolarHBondContact CB-O 3.14Å; P39-E113 WeakPolarHBondContact CG-O 3.34Å; P39-G115 WeakPolarHBondContact CG-O 3.23Å
40	G	91.7	Very high	97.2	Very high	89 Å²	89	50 Å²	50	92%	0.918	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	0.9	-177.5	0	0	0	0	0	115.8	R38	R38-G40 PolarHBondContact O-N 2.88Å
41	R	93.6	Very high	97.2	Very high	207 Å²	207	50.7 Å²	50.7	78%	0.781	28%	0.275	S	S	*	.	S	Bend	trans	-123.1	22.3	179.6	-58.8	-174.4	-179.8	-172	0.4	113.5	R38 P39	R38-R41 HydrophobicContact CB-CB 4.09Å; R38-R41 WeakPolarHBondContact CD-O 3.25Å; R38-R41 HydrophobicContact CG-CB 4.12Å; R38-R41 PolarHBondContact NE-O 2.92Å; R38-R41 WeakPolarHBondContact O-CA 3.35Å; R38-R41 PolarHBondContact O-N 3.3Å; P39-R41 PolarHBondContact O-N 2.94Å
42	G	92.4	Very high	97.2	Very high	58 Å²	58	50.1 Å²	50.1	60%	0.598	27%	0.273	S	S	*	.	S	Bend	trans	97.7	-160.2	178.3	0	0	0	0	0	113.8
43	E	95.1	Very high	97	Very high	90 Å²	90	47.7 Å²	47.7	42%	0.421	26%	0.264	S	S	.	.	S	Bend	trans	-70.3	154.5	-178.6	-63.5	-55.9	160	0	0	112.6	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.29Å; R38-E43 PolarHBondContact NE-O 3.2Å; R38-E43 PolarHBondContact NH2-O 3.26Å; E43-R45 PolarHBondContact O-N 2.98Å; E43-R99 IonicContact OE1-CZ 3.67Å; E43-R99 IonicContact OE1-NE 2.7Å; E43-R99 IonicContact OE1-NH1 2.79Å; E43-R99 PolarHBondContact OE1-NH1 2.94Å; E43-R99 IonicContact OE1-NH2 3.91Å; E43-R99 PolarHBondContact OE1-NH2 2.99Å; E43-R99 VanDerWaalsContact OE2-CD 3.31Å; E43-R99 WeakPolarHBondContact OE2-CD 3.48Å; E43-R99 IonicContact OE2-CZ 3.5Å; E43-R99 IonicContact OE2-NE 3.53Å; E43-R99 PolarHBondContact OE2-NE 3.47Å; E43-R99 IonicContact OE2-NH1 3.39Å; E43-R99 PolarHBondContact OE2-NH1 3.41Å; E43-R99 IonicContact OE2-NH2 3.58Å; E43-R99 PolarHBondContact OE2-NH2 3.41Å
44	P	97.7	Very high	96.9	Very high	27 Å²	27	50 Å²	50	18%	0.175	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-50.6	134.6	172.4	-25.5	34.6	0	0	0	111.7	V36 R99 L102	V36-P44 CarbonylContact O-C 3.47Å; V36-P44 WeakPolarHBondContact O-CA 3.39Å; V36-P44 WeakPolarHBondContact O-CB 3.48Å; P44-R99 HydrophobicContact CG-CB 4.47Å; P44-R99 HydrophobicContact CG-CG 4.26Å; P44-L102 HydrophobicContact CB-CD1 3.68Å; P44-L102 HydrophobicContact CG-CD1 3.78Å
45	R	98.5	Very high	96.8	Very high	91 Å²	91	49.4 Å²	49.4	34%	0.343	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	128.6	173.4	-176.6	-179.3	-178.5	-174.8	-1.5	108.4	S35 V36 E43 I47 D61 D63	S35-R45 CarbonylContact C-O 3.55Å; S35-R45 VanDerWaalsContact CA-O 3.31Å; S35-R45 WeakPolarHBondContact CA-O 3.47Å; V36-R45 PolarHBondContact N-O 3.18Å; V36-R45 PolarHBondContact O-N 3.47Å; E43-R45 PolarHBondContact O-N 2.98Å; R45-I47 HydrophobicContact CG-CG1 4.32Å; R45-D61 IonicContact CZ-OD1 2.62Å; R45-D61 IonicContact CZ-OD2 3.69Å; R45-D61 IonicContact NE-OD1 3Å; R45-D61 PolarHBondContact NE-OD1 3.05Å; R45-D61 IonicContact NE-OD2 3.39Å; R45-D61 IonicContact NH2-OD1 3.28Å; R45-D61 PolarHBondContact NH2-OD1 3.36Å; R45-D61 IonicContact NH2-OD2 3.85Å; R45-D61 PolarHBondContact NH2-OD2 2.92Å; R45-D63 WeakPolarHBondContact CD-OD2 3.44Å; R45-D63 HydrophobicContact CG-CB 4.41Å; R45-D63 IonicContact NE-OD2 3.78Å
46	F	98.8	Very high	96.7	Very high	2 Å²	2	52 Å²	52	1%	0.009	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.4	177.5	174.5	-88.1	0	0	0	109.8	F33 T34 S35 F60 S62 Y91 Q94 A95	F33-F46 HydrophobicContact CB-CE2 4.13Å; F33-F46 HydrophobicContact CB-CZ 4.39Å; F33-F46 HydrophobicContact CD1-CE1 4.4Å; F33-F46 HydrophobicContact CD1-CE2 4.05Å; F33-F46 AromaticContact CD1-CZ 3.49Å; F33-F46 HydrophobicContact CD1-CZ 3.49Å; F33-F46 VanDerWaalsContact CD1-CZ 3.49Å; F33-F46 HydrophobicContact CE1-CZ 4.21Å; F33-F46 HydrophobicContact CG-CE2 4.5Å; F33-F46 HydrophobicContact CG-CZ 4.35Å; T34-F46 WeakPolarHBondContact O-CA 3.35Å; S35-F46 VanDerWaalsContact OG-CD2 3.29Å; S35-F46 WeakPolarHBondContact OG-CD2 3.15Å; F46-F60 AromaticContact CD1-CD1 3.61Å; F46-F60 HydrophobicContact CD1-CD1 3.61Å; F46-F60 AromaticContact CD1-CE1 3.72Å; F46-F60 HydrophobicContact CD1-CE1 3.72Å; F46-F60 AromaticContact CE1-CD1 3.78Å; F46-F60 HydrophobicContact CE1-CD1 3.78Å; F46-F60 HydrophobicContact CE1-CE1 4.14Å; F46-S62 PolarHBondContact N-OG 2.94Å; F46-S62 PolarHBondContact O-N 2.96Å; F46-S62 PolarHBondContact O-OG 3.21Å; F46-Y91 HydrophobicContact CE1-CD1 4.44Å; F46-Q94 HydrophobicContact CE2-CB 4.08Å; F46-Q94 HydrophobicContact CE2-CG 3.74Å; F46-Q94 HydrophobicContact CZ-CB 3.9Å; F46-Q94 HydrophobicContact CZ-CG 3.91Å; F46-A95 HydrophobicContact CB-CB 3.71Å; F46-A95 HydrophobicContact CD1-CB 3.9Å; F46-A95 HydrophobicContact CD2-CB 3.89Å; F46-A95 HydrophobicContact CE1-CB 4.47Å; F46-A95 HydrophobicContact CE2-CB 4.49Å; F46-A95 HydrophobicContact CG-CB 3.57Å
47	I	98.8	Very high	96.7	Very high	50 Å²	50	49.5 Å²	49.5	26%	0.256	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	134	175.3	-57.1	176.7	0	0	0	107.8	F33 T34 R45 F60	F33-I47 CarbonylContact C-O 3.59Å; F33-I47 WeakPolarHBondContact CA-O 3.33Å; T34-I47 PolarHBondContact N-O 2.84Å; T34-I47 PolarHBondContact O-N 2.92Å; R45-I47 HydrophobicContact CG-CG1 4.32Å; I47-F60 WeakPolarHBondContact CA-O 3.42Å
48	S	98.7	Very high	96.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	140.1	168.6	-178.4	0	0	0	0	110.3	F32 F33 R59 F60 Y91	F32-S48 CarbonylContact O-C 3.53Å; F32-S48 WeakPolarHBondContact O-CA 3.33Å; F33-S48 VanDerWaalsContact CD1-CB 3.49Å; F33-S48 WeakPolarHBondContact CD1-OG 3.31Å; F33-S48 WeakPolarHBondContact CE1-OG 3.04Å; S48-R59 CarbonylContact O-C 3.52Å; S48-R59 VanDerWaalsContact O-CA 3.3Å; S48-R59 WeakPolarHBondContact O-CA 3.47Å; S48-F60 PolarHBondContact N-O 3.23Å; S48-F60 PolarHBondContact O-N 3.31Å; S48-Y91 VanDerWaalsContact OG-CE1 3.28Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.17Å
49	V	98.8	Very high	96.8	Very high	32 Å²	32	49.1 Å²	49.1	19%	0.194	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	143.6	167.9	-62.6	0	0	0	0	109.7	Y31 F32 Y51 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 2.78Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.29Å; F32-V49 PolarHBondContact N-O 3.03Å; F32-V49 PolarHBondContact O-N 3.05Å; V49-Y51 HydrophobicContact CB-CE2 4.08Å; V49-Y51 HydrophobicContact CG2-CD2 4.36Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; V49-V58 WeakPolarHBondContact CA-O 3.38Å; V49-R59 HydrophobicContact CG1-CG 4.32Å
50	G	98.6	Very high	97.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	138.6	176.1	0	0	0	0	0	110.7	K30 Q56 F57 V58	K30-G50 WeakPolarHBondContact O-CA 3.5Å; G50-Q56 WeakPolarHBondContact O-CA 3.39Å; G50-F57 WeakPolarHBondContact O-CD1 3.37Å; G50-F57 PolarHBondContact O-N 3.37Å; G50-V58 PolarHBondContact N-O 2.79Å; G50-V58 PolarHBondContact O-N 2.96Å
51	Y	98.6	Very high	97.4	Very high	70 Å²	70	43.1 Å²	43.1	28%	0.275	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141.8	179.5	-75.5	-102.1	0	0	0	110.5	M29 K30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.46Å; K30-Y51 PolarHBondContact N-O 3.37Å; K30-Y51 PolarHBondContact O-N 2.96Å; F32-Y51 HydrophobicContact CD2-CD2 4.16Å; F32-Y51 HydrophobicContact CE2-CD2 4.14Å; V49-Y51 HydrophobicContact CB-CE2 4.08Å; V49-Y51 HydrophobicContact CG2-CD2 4.36Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; Y51-T55 WeakPolarHBondContact CA-O 3.33Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; Y51-Q56 HydrophobicContact CD1-CB 4.02Å; Y51-Q56 VanDerWaalsContact CD1-N 3.32Å; Y51-Q56 HydrophobicContact CD2-CG 4.41Å; Y51-Q56 HydrophobicContact CE1-CB 3.52Å; Y51-Q56 HydrophobicContact CE1-CG 4.24Å; Y51-Q56 HydrophobicContact CE2-CB 4.11Å; Y51-Q56 HydrophobicContact CE2-CG 3.9Å
52	V	98.1	Very high	97.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119.4	155.8	177.4	0	0	0	0	105.8	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.48Å; M29-V52 HydrophobicContact CG-CG2 4.35Å; V52-D54 PolarHBondContact O-N 3.38Å; V52-T55 PolarHBondContact N-O 3.01Å; V52-T55 WeakPolarHBondContact O-CB 3.47Å; V52-T55 PolarHBondContact O-N 3.15Å; V52-F57 HydrophobicContact CG2-CD1 4.03Å; V52-F57 HydrophobicContact CG2-CE1 4.04Å; V52-W75 HydrophobicContact CB-CH2 4.4Å; V52-W75 HydrophobicContact CB-CZ2 4.45Å; V52-W75 HydrophobicContact CG2-CH2 3.87Å; V52-W75 HydrophobicContact CG2-CZ2 4.4Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.28Å; V52-Y195 HydrophobicContact CG2-CD2 3.98Å; V52-Y195 HydrophobicContact CG2-CG 4.45Å; V52-L196 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CB-CD1 4.28Å; V52-L203 HydrophobicContact CB-CD2 4.14Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.08Å
53	D	95.6	Very high	97.9	Very high	30 Å²	30	35.6 Å²	35.6	16%	0.16	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	-123.2	-167.2	-53.3	-38.9	0	0	0	110.5	H27 S28	H27-D53 VanDerWaalsContact CA-OD1 3.23Å; H27-D53 WeakPolarHBondContact CA-OD1 3.39Å; H27-D53 IonicContact CE1-OD2 2.8Å; H27-D53 IonicContact CG-OD2 3.36Å; H27-D53 IonicContact ND1-OD1 3.58Å; H27-D53 IonicContact ND1-OD2 2.66Å; H27-D53 PolarHBondContact ND1-OD2 2.84Å; S28-D53 PolarHBondContact N-OD1 3.24Å; S28-D53 PolarHBondContact O-N 2.89Å
54	D	95.5	Very high	98	Very high	63 Å²	63	32.8 Å²	32.8	34%	0.337	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	7.6	179	-62.9	-54.8	0	0	0	113.5	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.38Å; D54-Y233 HydrophobicContact CB-CE2 4.04Å; D54-P234 VanDerWaalsContact OD2-CB 3.3Å; D54-P234 WeakPolarHBondContact OD2-CB 3.49Å; D54-A235 HydrophobicContact CB-CB 4.3Å; D54-A235 VanDerWaalsContact CG-CB 3.49Å; D54-A235 VanDerWaalsContact OD2-CB 3.31Å; D54-A235 WeakPolarHBondContact OD2-CB 3.32Å; D54-A235 PolarHBondContact OD2-N 3.3Å; D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.69Å
55	T	96.5	Very high	97.9	Very high	30 Å²	30	37.1 Å²	37.1	18%	0.184	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	113.3	-176.7	-61.7	0	0	0	0	111.8	Y51 V52 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.33Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; V52-T55 PolarHBondContact N-O 3.01Å; V52-T55 WeakPolarHBondContact O-CB 3.47Å; V52-T55 PolarHBondContact O-N 3.15Å; T55-F57 PolarHBondContact O-N 2.8Å; T55-A73 HydrophobicContact CG2-CB 4.44Å; T55-L203 HydrophobicContact CG2-CD2 4.1Å; T55-Y233 PolarHBondContact OG1-OH 2.92Å
56	Q	97.6	Very high	97.8	Very high	55 Å²	55	36.7 Å²	36.7	26%	0.257	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	128.6	173.1	-166.9	-178.8	4.2	0	0	110.4	G50 Y51 V58 R72	G50-Q56 WeakPolarHBondContact O-CA 3.39Å; Y51-Q56 HydrophobicContact CD1-CB 4.02Å; Y51-Q56 VanDerWaalsContact CD1-N 3.32Å; Y51-Q56 HydrophobicContact CD2-CG 4.41Å; Y51-Q56 HydrophobicContact CE1-CB 3.52Å; Y51-Q56 HydrophobicContact CE1-CG 4.24Å; Y51-Q56 HydrophobicContact CE2-CB 4.11Å; Y51-Q56 HydrophobicContact CE2-CG 3.9Å; Q56-V58 PolarHBondContact NE2-O 2.83Å; Q56-R72 HydrophobicContact CB-CB 4.48Å; Q56-R72 HydrophobicContact CG-CB 4.1Å; Q56-R72 HydrophobicContact CG-CG 4.32Å; Q56-R72 CarbonylContact O-C 3.59Å
57	F	98.1	Very high	97.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	-22.4	-179.7	76.5	-82.3	0	0	0	114.4	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.48Å; M29-F57 HydrophobicContact SD-CZ 4.33Å; Y31-F57 HydrophobicContact CE1-CZ 4.04Å; Y31-F57 AromaticContact CZ-CZ 3.74Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.35Å; G50-F57 WeakPolarHBondContact O-CD1 3.37Å; G50-F57 PolarHBondContact O-N 3.37Å; V52-F57 HydrophobicContact CG2-CD1 4.03Å; V52-F57 HydrophobicContact CG2-CE1 4.04Å; T55-F57 PolarHBondContact O-N 2.8Å; F57-R72 PolarHBondContact O-N 2.85Å; F57-A73 HydrophobicContact CB-CB 4.08Å; F57-W75 HydrophobicContact CB-CH2 3.12Å; F57-W75 HydrophobicContact CB-CZ2 3.33Å; F57-W75 HydrophobicContact CB-CZ3 3.93Å; F57-W75 HydrophobicContact CD1-CH2 4.01Å; F57-W75 AromaticContact CD2-CH2 3.71Å; F57-W75 HydrophobicContact CD2-CH2 3.71Å; F57-W75 AromaticContact CD2-CZ3 3.95Å; F57-W75 HydrophobicContact CD2-CZ3 3.95Å; F57-W75 AromaticContact CG-CH2 3.37Å; F57-W75 HydrophobicContact CG-CH2 3.37Å; F57-W75 HydrophobicContact CG-CZ2 4.06Å; F57-W75 HydrophobicContact CG-CZ3 4.09Å; F57-V76 HydrophobicContact CB-CG1 4.4Å; F57-V76 HydrophobicContact CD2-CB 4.35Å; F57-V76 HydrophobicContact CD2-CG1 4.47Å; F57-V76 HydrophobicContact CD2-CG2 4.08Å; F57-V76 VanDerWaalsContact O-CG1 3.27Å; F57-V76 WeakPolarHBondContact O-CG1 3.39Å; F57-Y195 HydrophobicContact CD2-CE2 4.41Å; F57-Y195 HydrophobicContact CE2-CD2 4.21Å; F57-Y195 AromaticContact CE2-CE2 3.56Å; F57-Y195 HydrophobicContact CE2-CE2 3.56Å; F57-Y195 AromaticContact CE2-CZ 3.75Å; F57-Y195 HydrophobicContact CZ-CD2 4.25Å; F57-Y195 AromaticContact CZ-CE2 3.71Å; F57-Y195 HydrophobicContact CZ-CE2 3.71Å
58	V	98.4	Very high	97.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	152.3	177.2	-73.1	0	0	0	0	112.7	Y31 V49 G50 Q56 E70 W84	Y31-V58 HydrophobicContact CE1-CG2 3.91Å; V49-V58 WeakPolarHBondContact CA-O 3.38Å; G50-V58 PolarHBondContact N-O 2.79Å; G50-V58 PolarHBondContact O-N 2.96Å; Q56-V58 PolarHBondContact NE2-O 2.83Å; V58-E70 WeakPolarHBondContact CA-O 2.93Å; V58-W84 HydrophobicContact CG1-CH2 3.92Å; V58-W84 HydrophobicContact CG1-CZ3 3.86Å
59	R	98.4	Very high	97.6	Very high	83 Å²	83	43.5 Å²	43.5	31%	0.313	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	147.7	170.5	179.6	174.9	169.4	-176.6	-3.9	111.1	S48 V49 D61 E70 R72	S48-R59 CarbonylContact O-C 3.52Å; S48-R59 VanDerWaalsContact O-CA 3.3Å; S48-R59 WeakPolarHBondContact O-CA 3.47Å; V49-R59 HydrophobicContact CG1-CG 4.32Å; R59-D61 IonicContact NH2-OD2 3.43Å; R59-D61 PolarHBondContact NH2-OD2 2.82Å; R59-E70 PolarHBondContact N-O 3.38Å; R59-E70 PolarHBondContact O-N 3.16Å; R59-R72 HydrophobicContact CB-CG 3.94Å
60	F	98.8	Very high	97.6	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.018	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	141.9	164.5	178.6	-83.2	0	0	0	109.5	F46 I47 S48 P67 R68 T88 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.61Å; F46-F60 HydrophobicContact CD1-CD1 3.61Å; F46-F60 AromaticContact CD1-CE1 3.72Å; F46-F60 HydrophobicContact CD1-CE1 3.72Å; F46-F60 AromaticContact CE1-CD1 3.78Å; F46-F60 HydrophobicContact CE1-CD1 3.78Å; F46-F60 HydrophobicContact CE1-CE1 4.14Å; I47-F60 WeakPolarHBondContact CA-O 3.42Å; S48-F60 PolarHBondContact N-O 3.23Å; S48-F60 PolarHBondContact O-N 3.31Å; F60-P67 HydrophobicContact CE1-CB 4.46Å; F60-P67 HydrophobicContact CE2-CB 3.9Å; F60-P67 HydrophobicContact CZ-CB 3.64Å; F60-R68 VanDerWaalsContact CD2-C 3.5Å; F60-R68 WeakPolarHBondContact CD2-O 3.44Å; F60-T88 HydrophobicContact CE2-CG2 4.47Å; F60-Y91 HydrophobicContact CB-CD1 4.32Å; F60-Y91 HydrophobicContact CB-CD2 3.62Å; F60-Y91 HydrophobicContact CB-CE2 4.06Å; F60-Y91 HydrophobicContact CB-CG 3.78Å; F60-Y91 HydrophobicContact CD1-CG 4.41Å; F60-Y91 AromaticContact CD2-CD2 3.62Å; F60-Y91 HydrophobicContact CD2-CD2 3.62Å; F60-Y91 AromaticContact CD2-CG 3.91Å; F60-Y91 HydrophobicContact CD2-CG 3.91Å; F60-Y91 AromaticContact CG-CD2 3.8Å; F60-Y91 HydrophobicContact CG-CD2 3.8Å; F60-Y91 AromaticContact CG-CG 3.78Å; F60-Y91 HydrophobicContact CG-CG 3.78Å; F60-K92 HydrophobicContact CE2-CG 4.32Å; F60-K92 HydrophobicContact CZ-CG 4.04Å
61	D	98.7	Very high	97.5	Very high	14 Å²	14	46.9 Å²	46.9	8%	0.075	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	120.1	176.3	-163.6	-27.1	0	0	0	109.4	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 2.62Å; R45-D61 IonicContact CZ-OD2 3.69Å; R45-D61 IonicContact NE-OD1 3Å; R45-D61 PolarHBondContact NE-OD1 3.05Å; R45-D61 IonicContact NE-OD2 3.39Å; R45-D61 IonicContact NH2-OD1 3.28Å; R45-D61 PolarHBondContact NH2-OD1 3.36Å; R45-D61 IonicContact NH2-OD2 3.85Å; R45-D61 PolarHBondContact NH2-OD2 2.92Å; R59-D61 IonicContact NH2-OD2 3.43Å; R59-D61 PolarHBondContact NH2-OD2 2.82Å; D61-D63 PolarHBondContact O-N 3.3Å; D61-D63 PolarHBondContact OD1-N 2.96Å; D61-A64 HydrophobicContact CB-CB 4.46Å; D61-A64 WeakPolarHBondContact O-CB 3.2Å; D61-A64 PolarHBondContact O-N 2.67Å
62	S	98.3	Very high	97.5	Very high	34 Å²	34	48.8 Å²	48.8	24%	0.238	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-22	-178.7	67.9	0	0	0	0	113.4	F46 A64 P67	F46-S62 PolarHBondContact N-OG 2.94Å; F46-S62 PolarHBondContact O-N 2.96Å; F46-S62 PolarHBondContact O-OG 3.21Å; S62-A64 VanDerWaalsContact C-N 3.35Å; S62-P67 WeakPolarHBondContact O-CG 3.11Å
63	D	97.6	Very high	97.4	Very high	72 Å²	72	49 Å²	49	39%	0.385	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-1.5	-179.9	-78.9	8.4	0	0	0	112.6	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.49Å; R38-D63 IonicContact CZ-OD2 2.81Å; R38-D63 IonicContact NH1-OD1 3.39Å; R38-D63 PolarHBondContact NH1-OD1 2.8Å; R38-D63 IonicContact NH1-OD2 3.86Å; R38-D63 PolarHBondContact NH1-OD2 2.99Å; R38-D63 IonicContact NH2-OD1 2.76Å; R38-D63 PolarHBondContact NH2-OD1 2.89Å; R38-D63 IonicContact NH2-OD2 2.8Å; R45-D63 WeakPolarHBondContact CD-OD2 3.44Å; R45-D63 HydrophobicContact CG-CB 4.41Å; R45-D63 IonicContact NE-OD2 3.78Å; D61-D63 PolarHBondContact O-N 3.3Å; D61-D63 PolarHBondContact OD1-N 2.96Å
64	A	97.3	Very high	97.4	Very high	32 Å²	32	52.4 Å²	52.4	26%	0.264	29%	0.293	S	S	.	.	S	Bend	trans	-62.4	149.4	172.2	0	0	0	0	0	110.9	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.46Å; D61-A64 WeakPolarHBondContact O-CB 3.2Å; D61-A64 PolarHBondContact O-N 2.67Å; S62-A64 VanDerWaalsContact C-N 3.35Å; A64-S66 PolarHBondContact O-N 3.04Å; A64-S66 VanDerWaalsContact O-N 3.16Å; A64-P67 VanDerWaalsContact O-CD 3.22Å; A64-P67 WeakPolarHBondContact O-CD 3.09Å; A64-P67 VanDerWaalsContact O-CG 3.29Å; A64-P67 WeakPolarHBondContact O-CG 3.43Å
65	A	96.7	Very high	97.4	Very high	117 Å²	117	50.1 Å²	50.1	97%	0.967	28%	0.28	S	S	*	.	S	Bend	trans	-58.8	-31.8	179.8	0	0	0	0	0	113.1
66	S	96.3	Very high	97.5	Very high	83 Å²	83	48.7 Å²	48.7	58%	0.58	27%	0.271	S	S	*	.	S	Bend	trans	-134	89.6	171.2	-173.9	0	0	0	0	109	A64 R68	A64-S66 PolarHBondContact O-N 3.04Å; A64-S66 VanDerWaalsContact O-N 3.16Å; S66-R68 PolarHBondContact O-N 3.36Å; S66-R68 VanDerWaalsContact O-N 3.09Å
67	P	97.1	Very high	97.4	Very high	35 Å²	35	51.9 Å²	51.9	23%	0.227	29%	0.286	C	S	.	.			trans	-64.2	112.3	-175.2	-24.2	35.3	0	0	0	112	F60 S62 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.46Å; F60-P67 HydrophobicContact CE2-CB 3.9Å; F60-P67 HydrophobicContact CZ-CB 3.64Å; S62-P67 WeakPolarHBondContact O-CG 3.11Å; A64-P67 VanDerWaalsContact O-CD 3.22Å; A64-P67 WeakPolarHBondContact O-CD 3.09Å; A64-P67 VanDerWaalsContact O-CG 3.29Å; A64-P67 WeakPolarHBondContact O-CG 3.43Å; P67-K92 WeakPolarHBondContact O-CE 3.45Å; P67-K92 PolarHBondContact O-NZ 3.41Å
68	R	97.8	Very high	97.2	Very high	153 Å²	153	57.7 Å²	57.7	58%	0.577	31%	0.313	S	S	*	.			trans	-145.8	159.9	177.4	63.1	-176.1	172.8	176.3	-0.3	110.6	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.5Å; F60-R68 WeakPolarHBondContact CD2-O 3.44Å; S66-R68 PolarHBondContact O-N 3.36Å; S66-R68 VanDerWaalsContact O-N 3.09Å; R68-E70 HydrophobicContact CG-CG 4.4Å; R68-E70 PolarHBondContact O-N 3.36Å; R68-T88 HydrophobicContact CB-CG2 4.22Å
69	G	97.4	Very high	97.1	Very high	6 Å²	6	58.2 Å²	58.2	6%	0.062	32%	0.316	C	S	.	.			trans	-64.3	130.6	168.2	0	0	0	0	0	109.6	T88	G69-T88 PolarHBondContact N-OG1 2.95Å
70	E	97.8	Very high	97	Very high	56 Å²	56	56 Å²	56	26%	0.262	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133	-179	-64.2	177.5	162.3	0	0	109.9	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 2.93Å; R59-E70 PolarHBondContact N-O 3.38Å; R59-E70 PolarHBondContact O-N 3.16Å; R68-E70 HydrophobicContact CG-CG 4.4Å; R68-E70 PolarHBondContact O-N 3.36Å; E70-R72 IonicContact OE2-CZ 3.04Å; E70-R72 IonicContact OE2-NH2 2.82Å; E70-R72 PolarHBondContact OE2-NH2 3.45Å
71	P	98	Very high	96.9	Very high	47 Å²	47	60.4 Å²	60.4	31%	0.305	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	145.3	172.8	28.7	-33.8	0	0	0	110.8	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.79Å; P71-E77 HydrophobicContact CB-CG 3.72Å; P71-E77 HydrophobicContact CG-CG 3.96Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 3.81Å; P71-W84 HydrophobicContact CG-CH2 4.25Å; P71-W84 HydrophobicContact CG-CZ2 4.25Å
72	R	97.4	Very high	96.8	Very high	111 Å²	111	67.6 Å²	67.6	42%	0.419	38%	0.381	S	S	.	.			trans	-127.4	-1.4	174.9	-60.8	-64.8	171.4	-179.8	-2.8	113.1	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.48Å; Q56-R72 HydrophobicContact CG-CB 4.1Å; Q56-R72 HydrophobicContact CG-CG 4.32Å; Q56-R72 CarbonylContact O-C 3.59Å; F57-R72 PolarHBondContact O-N 2.85Å; R59-R72 HydrophobicContact CB-CG 3.94Å; E70-R72 IonicContact OE2-CZ 3.04Å; E70-R72 IonicContact OE2-NH2 2.82Å; E70-R72 PolarHBondContact OE2-NH2 3.45Å
73	A	96	Very high	96.8	Very high	4 Å²	4	66.5 Å²	66.5	3%	0.033	37%	0.372	C	S	.	.	S	Bend	trans	-137.2	143.5	172.9	0	0	0	0	0	110.8	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.44Å; F57-A73 HydrophobicContact CB-CB 4.08Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 4.01Å; A73-W75 PolarHBondContact O-N 2.94Å; A73-V76 WeakPolarHBondContact O-CG1 3.26Å; A73-V76 PolarHBondContact O-N 2.95Å
74	P	96.1	Very high	96.8	Very high	101 Å²	101	64.9 Å²	64.9	66%	0.656	36%	0.36	S	S	*	.	H	α-helix	trans	-58.2	-37.1	-177.6	-26.8	35.1	0	0	0	114.1	V76 E77	P74-V76 PolarHBondContact O-N 2.99Å; P74-E77 WeakPolarHBondContact O-CB 3.15Å; P74-E77 PolarHBondContact O-N 2.95Å; P74-E77 VanDerWaalsContact O-N 3.07Å
75	W	95.9	Very high	96.8	Very high	16 Å²	16	68.5 Å²	68.5	6%	0.061	38%	0.375	C	S	.	.	H	α-helix	trans	-69.6	-13.5	-175.8	53.7	-106.9	0	0	0	114.6	V52 F57 A73 Q78 Y195 N198 T202 L203	V52-W75 HydrophobicContact CB-CH2 4.4Å; V52-W75 HydrophobicContact CB-CZ2 4.45Å; V52-W75 HydrophobicContact CG2-CH2 3.87Å; V52-W75 HydrophobicContact CG2-CZ2 4.4Å; F57-W75 HydrophobicContact CB-CH2 3.12Å; F57-W75 HydrophobicContact CB-CZ2 3.33Å; F57-W75 HydrophobicContact CB-CZ3 3.93Å; F57-W75 HydrophobicContact CD1-CH2 4.01Å; F57-W75 AromaticContact CD2-CH2 3.71Å; F57-W75 HydrophobicContact CD2-CH2 3.71Å; F57-W75 AromaticContact CD2-CZ3 3.95Å; F57-W75 HydrophobicContact CD2-CZ3 3.95Å; F57-W75 AromaticContact CG-CH2 3.37Å; F57-W75 HydrophobicContact CG-CH2 3.37Å; F57-W75 HydrophobicContact CG-CZ2 4.06Å; F57-W75 HydrophobicContact CG-CZ3 4.09Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 4.01Å; A73-W75 PolarHBondContact O-N 2.94Å; W75-Q78 WeakPolarHBondContact O-CG 3.5Å; W75-Q78 PolarHBondContact O-NE2 2.86Å; W75-Y195 HydrophobicContact CE3-CD1 4.24Å; W75-Y195 HydrophobicContact CE3-CG 4.49Å; W75-Y195 HydrophobicContact CH2-CD1 4.5Å; W75-Y195 HydrophobicContact CH2-CG 4.11Å; W75-Y195 AromaticContact CZ3-CD1 3.56Å; W75-Y195 HydrophobicContact CZ3-CD1 3.56Å; W75-Y195 HydrophobicContact CZ3-CD2 4.3Å; W75-Y195 HydrophobicContact CZ3-CE1 4.28Å; W75-Y195 AromaticContact CZ3-CG 3.57Å; W75-Y195 HydrophobicContact CZ3-CG 3.57Å; W75-N198 HydrophobicContact CB-CB 4.5Å; W75-N198 WeakPolarHBondContact CB-O 3.46Å; W75-T202 VanDerWaalsContact CD1-OG1 3.23Å; W75-L203 HydrophobicContact CD2-CD1 4.45Å; W75-L203 HydrophobicContact CH2-CD1 4.39Å; W75-L203 HydrophobicContact CZ2-CD1 3.85Å; W75-L203 HydrophobicContact CZ2-CD2 4.13Å; W75-L203 HydrophobicContact CZ2-CG 4.4Å
76	V	97.2	Very high	96.9	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-94.9	-15.3	172.3	72.4	0	0	0	0	112.1	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.4Å; F57-V76 HydrophobicContact CD2-CB 4.35Å; F57-V76 HydrophobicContact CD2-CG1 4.47Å; F57-V76 HydrophobicContact CD2-CG2 4.08Å; F57-V76 VanDerWaalsContact O-CG1 3.27Å; F57-V76 WeakPolarHBondContact O-CG1 3.39Å; P71-V76 HydrophobicContact CB-CG1 3.79Å; A73-V76 WeakPolarHBondContact O-CG1 3.26Å; A73-V76 PolarHBondContact O-N 2.95Å; P74-V76 PolarHBondContact O-N 2.99Å; V76-Q78 PolarHBondContact O-N 2.03Å; V76-E79 HydrophobicContact CG2-CG 3.87Å; V76-E79 VanDerWaalsContact O-CB 3.3Å; V76-E79 WeakPolarHBondContact O-CB 3.27Å; V76-E79 WeakPolarHBondContact O-CG 3.35Å; V76-E79 PolarHBondContact O-N 3.23Å; V76-Y83 HydrophobicContact CG2-CE1 4.11Å; V76-W84 HydrophobicContact CG1-CH2 4.06Å; V76-W84 HydrophobicContact CG1-CZ2 4.29Å; V76-W84 HydrophobicContact CG2-CH2 3.99Å; V76-W84 HydrophobicContact CG2-CZ2 4.03Å; V76-W84 WeakPolarHBondContact O-CZ2 3.44Å; V76-Y195 HydrophobicContact CG2-CE1 4.37Å
77	E	95.5	Very high	96.9	Very high	121 Å²	121	64.5 Å²	64.5	57%	0.565	32%	0.323	S	S	*	.	H	α-helix	trans	-64.2	-26	-179.9	-65	-177.5	-179.6	0	0	112.8	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.72Å; P71-E77 HydrophobicContact CG-CG 3.96Å; P74-E77 WeakPolarHBondContact O-CB 3.15Å; P74-E77 PolarHBondContact O-N 2.95Å; P74-E77 VanDerWaalsContact O-N 3.07Å; E77-E79 PolarHBondContact O-N 2.86Å
78	Q	94.6	Very high	97	Very high	122 Å²	122	63.3 Å²	63.3	57%	0.57	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-12.2	174.6	65.9	-176	-20.9	0	0	114	W75 V76 G80 N198	W75-Q78 WeakPolarHBondContact O-CG 3.5Å; W75-Q78 PolarHBondContact O-NE2 2.86Å; V76-Q78 PolarHBondContact O-N 2.03Å; Q78-G80 PolarHBondContact O-N 2.97Å; Q78-N198 PolarHBondContact NE2-ND2 3.35Å
79	E	96.6	Very high	97	Very high	11 Å²	11	61 Å²	61	5%	0.051	31%	0.311	C	S	.	.	S	Bend	trans	-65.1	134.4	174.7	-66.1	-62.4	162.4	0	0	110.8	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.87Å; V76-E79 VanDerWaalsContact O-CB 3.3Å; V76-E79 WeakPolarHBondContact O-CB 3.27Å; V76-E79 WeakPolarHBondContact O-CG 3.35Å; V76-E79 PolarHBondContact O-N 3.23Å; E77-E79 PolarHBondContact O-N 2.86Å; E79-Y83 HydrophobicContact CB-CD1 3.47Å; E79-Y83 VanDerWaalsContact CB-CD1 3.47Å; E79-Y83 HydrophobicContact CB-CE1 4.07Å; E79-Y83 HydrophobicContact CB-CG 3.74Å; E79-Y83 HydrophobicContact CG-CD1 4Å; E79-Y83 HydrophobicContact CG-CD2 4.46Å; E79-Y83 HydrophobicContact CG-CE1 4.19Å; E79-Y83 HydrophobicContact CG-CG 4.15Å; E79-W84 PolarHBondContact O-NE1 2.84Å; E79-R194 IonicContact OE1-CZ 3.74Å; E79-R194 IonicContact OE1-NE 2.77Å; E79-R194 PolarHBondContact OE1-NE 3.45Å; E79-R194 IonicContact OE1-NH2 3.12Å; E79-R194 PolarHBondContact OE1-NH2 3.35Å; E79-R194 IonicContact OE2-CZ 3.77Å; E79-R194 IonicContact OE2-NE 3.35Å; E79-R194 IonicContact OE2-NH2 3.16Å; E79-R194 PolarHBondContact OE2-NH2 3.4Å; E79-N198 PolarHBondContact OE1-ND2 2.84Å
80	G	95.8	Very high	97	Very high	36 Å²	36	64.1 Å²	64.1	37%	0.371	32%	0.322	S	S	.	.			trans	-69.4	169.3	-174.8	0	0	0	0	0	114.2	Q78 E82 Y83 W84	Q78-G80 PolarHBondContact O-N 2.97Å; G80-E82 PolarHBondContact O-N 3.31Å; G80-Y83 WeakPolarHBondContact O-CB 3.03Å; G80-Y83 PolarHBondContact O-N 2.92Å; G80-W84 PolarHBondContact O-N 2.83Å
81	P	96.8	Very high	97	Very high	98 Å²	98	61.7 Å²	61.7	64%	0.636	31%	0.311	S	S	*	.	H	α-helix	trans	-57.4	-35.3	-178.5	22.7	-33.5	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.7Å; P81-W84 PolarHBondContact O-N 3.05Å; P81-W84 VanDerWaalsContact O-N 3.17Å; P81-D85 WeakPolarHBondContact O-CB 3.37Å; P81-D85 PolarHBondContact O-N 2.86Å
82	E	97.4	Very high	97.1	Very high	165 Å²	165	63.3 Å²	63.3	77%	0.771	31%	0.313	S	S	*	.	H	α-helix	trans	-60.2	-35.6	177.8	-62.8	-178.6	178.6	0	0	112.9	G80 R86	G80-E82 PolarHBondContact O-N 3.31Å; E82-R86 WeakPolarHBondContact O-CB 3.19Å; E82-R86 PolarHBondContact O-N 2.9Å
83	Y	97.4	Very high	97.1	Very high	10 Å²	10	65.8 Å²	65.8	4%	0.039	32%	0.322	C	S	.	.	H	α-helix	trans	-64.5	-52.3	174.6	168	-93.3	0	0	0	110	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.11Å; E79-Y83 HydrophobicContact CB-CD1 3.47Å; E79-Y83 VanDerWaalsContact CB-CD1 3.47Å; E79-Y83 HydrophobicContact CB-CE1 4.07Å; E79-Y83 HydrophobicContact CB-CG 3.74Å; E79-Y83 HydrophobicContact CG-CD1 4Å; E79-Y83 HydrophobicContact CG-CD2 4.46Å; E79-Y83 HydrophobicContact CG-CE1 4.19Å; E79-Y83 HydrophobicContact CG-CG 4.15Å; G80-Y83 WeakPolarHBondContact O-CB 3.03Å; G80-Y83 PolarHBondContact O-N 2.92Å; P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.7Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 2.93Å; Y83-R86 PolarHBondContact O-N 3.1Å; Y83-E87 HydrophobicContact CD1-CG 4.43Å; Y83-E87 HydrophobicContact CD2-CG 4.09Å; Y83-E87 HydrophobicContact CE1-CG 4.06Å; Y83-E87 HydrophobicContact CE2-CG 3.67Å; Y83-E87 HydrophobicContact CG-CG 4.44Å; Y83-E87 WeakPolarHBondContact O-CG 3.43Å; Y83-E87 PolarHBondContact O-N 2.84Å; Y83-W191 AromaticContact CD2-CH2 3.49Å; Y83-W191 HydrophobicContact CD2-CH2 3.49Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.49Å; Y83-W191 HydrophobicContact CD2-CZ2 4.25Å; Y83-W191 AromaticContact CD2-CZ3 3.72Å; Y83-W191 HydrophobicContact CD2-CZ3 3.72Å; Y83-W191 HydrophobicContact CE2-CE3 4.2Å; Y83-W191 AromaticContact CE2-CH2 3.86Å; Y83-W191 HydrophobicContact CE2-CH2 3.86Å; Y83-W191 AromaticContact CE2-CZ3 3.66Å; Y83-W191 HydrophobicContact CE2-CZ3 3.66Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.23Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.25Å; Y83-Y195 PolarHBondContact OH-OH 3.17Å
84	W	98	Very high	97.2	Very high	39 Å²	39	66.9 Å²	66.9	15%	0.148	33%	0.327	C	S	.	.	H	α-helix	trans	-63.8	-38.7	-177.6	-67.2	111.3	0	0	0	113	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 3.92Å; V58-W84 HydrophobicContact CG1-CZ3 3.86Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 3.81Å; P71-W84 HydrophobicContact CG-CH2 4.25Å; P71-W84 HydrophobicContact CG-CZ2 4.25Å; V76-W84 HydrophobicContact CG1-CH2 4.06Å; V76-W84 HydrophobicContact CG1-CZ2 4.29Å; V76-W84 HydrophobicContact CG2-CH2 3.99Å; V76-W84 HydrophobicContact CG2-CZ2 4.03Å; V76-W84 WeakPolarHBondContact O-CZ2 3.44Å; E79-W84 PolarHBondContact O-NE1 2.84Å; G80-W84 PolarHBondContact O-N 2.83Å; P81-W84 PolarHBondContact O-N 3.05Å; P81-W84 VanDerWaalsContact O-N 3.17Å; W84-T88 WeakPolarHBondContact O-CB 3.33Å; W84-T88 PolarHBondContact O-N 3.14Å; W84-T88 PolarHBondContact O-OG1 2.76Å
85	D	98	Very high	97.3	Very high	107 Å²	107	63 Å²	63	57%	0.572	30%	0.303	S	S	*	.	H	α-helix	trans	-64.5	-47.4	174.9	-75.7	-22.2	0	0	0	110.8	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.37Å; P81-D85 PolarHBondContact O-N 2.86Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 2.93Å; D85-T88 PolarHBondContact O-N 2.68Å; D85-Q89 VanDerWaalsContact O-CG 3.32Å; D85-Q89 WeakPolarHBondContact O-CG 3.49Å; D85-Q89 PolarHBondContact O-N 3.36Å
86	R	97.4	Very high	97.4	Very high	105 Å²	105	67.6 Å²	67.6	40%	0.396	33%	0.325	S	S	.	.	H	α-helix	trans	-62	-47	178.7	-174.3	-177.1	67.5	-152.9	-5.8	112	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.19Å; E82-R86 PolarHBondContact O-N 2.9Å; Y83-R86 PolarHBondContact O-N 3.1Å; R86-Q89 PolarHBondContact O-N 3.43Å; R86-K90 WeakPolarHBondContact O-CG 3.46Å; R86-K90 PolarHBondContact O-N 3.07Å
87	E	97.4	Very high	97.5	Very high	11 Å²	11	71.1 Å²	71.1	5%	0.051	35%	0.347	C	S	.	.	H	α-helix	trans	-65.4	-41.9	178.6	-65	-43.9	119.4	0	0	111	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.43Å; Y83-E87 HydrophobicContact CD2-CG 4.09Å; Y83-E87 HydrophobicContact CE1-CG 4.06Å; Y83-E87 HydrophobicContact CE2-CG 3.67Å; Y83-E87 HydrophobicContact CG-CG 4.44Å; Y83-E87 WeakPolarHBondContact O-CG 3.43Å; Y83-E87 PolarHBondContact O-N 2.84Å; E87-Q89 VanDerWaalsContact C-N 3.31Å; E87-Q89 PolarHBondContact O-N 3.49Å; E87-K90 WeakPolarHBondContact O-CB 3.49Å; E87-K90 PolarHBondContact O-N 3.37Å; E87-K90 VanDerWaalsContact O-N 3.1Å; E87-K90 IonicContact OE1-NZ 3.71Å; E87-K90 PolarHBondContact OE1-NZ 3.03Å; E87-K90 WeakPolarHBondContact OE2-CD 3.31Å; E87-K90 IonicContact OE2-NZ 3.27Å; E87-K90 PolarHBondContact OE2-NZ 2.86Å; E87-Y91 HydrophobicContact CB-CE2 3.99Å; E87-Y91 WeakPolarHBondContact O-CD2 3.2Å; E87-Y91 PolarHBondContact O-N 2.94Å
88	T	98.4	Very high	97.6	Very high	10 Å²	10	65.4 Å²	65.4	6%	0.061	32%	0.32	C	S	.	.	H	α-helix	trans	-56.8	-44.2	173.8	-64.4	0	0	0	0	112.1	F60 R68 G69 W84 D85 Y91 K92	F60-T88 HydrophobicContact CE2-CG2 4.47Å; R68-T88 HydrophobicContact CB-CG2 4.22Å; G69-T88 PolarHBondContact N-OG1 2.95Å; W84-T88 WeakPolarHBondContact O-CB 3.33Å; W84-T88 PolarHBondContact O-N 3.14Å; W84-T88 PolarHBondContact O-OG1 2.76Å; D85-T88 PolarHBondContact O-N 2.68Å; T88-Y91 PolarHBondContact O-N 2.85Å; T88-K92 HydrophobicContact CG2-CD 4.19Å; T88-K92 WeakPolarHBondContact O-CG 3.39Å; T88-K92 PolarHBondContact O-N 2.8Å
89	Q	98.3	Very high	97.8	Very high	105 Å²	105	63.4 Å²	63.4	49%	0.491	31%	0.307	S	S	.	.	H	α-helix	trans	-68.8	-33.4	177.5	-67.1	-57	-28.1	0	0	112.7	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.32Å; D85-Q89 WeakPolarHBondContact O-CG 3.49Å; D85-Q89 PolarHBondContact O-N 3.36Å; R86-Q89 PolarHBondContact O-N 3.43Å; E87-Q89 VanDerWaalsContact C-N 3.31Å; E87-Q89 PolarHBondContact O-N 3.49Å; Q89-R93 WeakPolarHBondContact O-CB 3.47Å; Q89-R93 WeakPolarHBondContact O-CG 3.2Å; Q89-R93 PolarHBondContact O-N 2.77Å
90	K	97.4	Very high	97.8	Very high	71 Å²	71	66.4 Å²	66.4	31%	0.309	33%	0.326	S	S	.	.	H	α-helix	trans	-62.7	-48.6	171.8	-73.4	171.9	177.8	173.7	0	111.1	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.46Å; R86-K90 PolarHBondContact O-N 3.07Å; E87-K90 WeakPolarHBondContact O-CB 3.49Å; E87-K90 PolarHBondContact O-N 3.37Å; E87-K90 VanDerWaalsContact O-N 3.1Å; E87-K90 IonicContact OE1-NZ 3.71Å; E87-K90 PolarHBondContact OE1-NZ 3.03Å; E87-K90 WeakPolarHBondContact OE2-CD 3.31Å; E87-K90 IonicContact OE2-NZ 3.27Å; E87-K90 PolarHBondContact OE2-NZ 2.86Å; K90-K92 PolarHBondContact O-N 2.66Å; K90-R93 PolarHBondContact O-N 2.91Å; K90-Q94 PolarHBondContact O-N 3.2Å
91	Y	98.5	Very high	98	Very high	5 Å²	5	66.4 Å²	66.4	2%	0.02	32%	0.321	C	S	.	.	H	α-helix	trans	-59.4	-44.2	177.4	-62.1	-48	0	0	0	112.3	F33 F46 S48 F60 E87 T88 R93 Q94 A95	F33-Y91 HydrophobicContact CE1-CD1 4.01Å; F33-Y91 AromaticContact CE1-CE1 3.97Å; F33-Y91 HydrophobicContact CE1-CE1 3.97Å; F46-Y91 HydrophobicContact CE1-CD1 4.44Å; S48-Y91 VanDerWaalsContact OG-CE1 3.28Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.17Å; F60-Y91 HydrophobicContact CB-CD1 4.32Å; F60-Y91 HydrophobicContact CB-CD2 3.62Å; F60-Y91 HydrophobicContact CB-CE2 4.06Å; F60-Y91 HydrophobicContact CB-CG 3.78Å; F60-Y91 HydrophobicContact CD1-CG 4.41Å; F60-Y91 AromaticContact CD2-CD2 3.62Å; F60-Y91 HydrophobicContact CD2-CD2 3.62Å; F60-Y91 AromaticContact CD2-CG 3.91Å; F60-Y91 HydrophobicContact CD2-CG 3.91Å; F60-Y91 AromaticContact CG-CD2 3.8Å; F60-Y91 HydrophobicContact CG-CD2 3.8Å; F60-Y91 AromaticContact CG-CG 3.78Å; F60-Y91 HydrophobicContact CG-CG 3.78Å; E87-Y91 HydrophobicContact CB-CE2 3.99Å; E87-Y91 WeakPolarHBondContact O-CD2 3.2Å; E87-Y91 PolarHBondContact O-N 2.94Å; T88-Y91 PolarHBondContact O-N 2.85Å; Y91-R93 PolarHBondContact O-N 3.34Å; Y91-Q94 PolarHBondContact O-N 3.22Å; Y91-A95 WeakPolarHBondContact O-CB 3.44Å; Y91-A95 PolarHBondContact O-N 2.66Å
92	K	98.3	Very high	98	Very high	82 Å²	82	62.1 Å²	62.1	36%	0.357	29%	0.293	S	S	.	.	H	α-helix	trans	-62.8	-41.2	177.2	-74	178.3	179	176.3	0	112.6	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.32Å; F60-K92 HydrophobicContact CZ-CG 4.04Å; P67-K92 WeakPolarHBondContact O-CE 3.45Å; P67-K92 PolarHBondContact O-NZ 3.41Å; T88-K92 HydrophobicContact CG2-CD 4.19Å; T88-K92 WeakPolarHBondContact O-CG 3.39Å; T88-K92 PolarHBondContact O-N 2.8Å; K90-K92 PolarHBondContact O-N 2.66Å; K92-Q96 PolarHBondContact O-N 2.79Å
93	R	98.3	Very high	98	Very high	162 Å²	162	61.2 Å²	61.2	61%	0.611	28%	0.282	S	S	*	.	H	α-helix	trans	-64.5	-44.8	174.7	-75.9	-174	-66.4	166.6	-0.4	111.4	Q89 K90 Y91 A95 Q96 T97	Q89-R93 WeakPolarHBondContact O-CB 3.47Å; Q89-R93 WeakPolarHBondContact O-CG 3.2Å; Q89-R93 PolarHBondContact O-N 2.77Å; K90-R93 PolarHBondContact O-N 2.91Å; Y91-R93 PolarHBondContact O-N 3.34Å; R93-A95 VanDerWaalsContact C-N 3.35Å; R93-A95 PolarHBondContact O-N 2.98Å; R93-Q96 PolarHBondContact O-N 3.44Å; R93-Q96 VanDerWaalsContact O-N 3.16Å; R93-T97 PolarHBondContact O-N 2.63Å; R93-T97 PolarHBondContact O-OG1 3.4Å
94	Q	98.3	Very high	98.1	Very high	28 Å²	28	64 Å²	64	13%	0.131	30%	0.297	C	S	.	.	H	α-helix	trans	-62	-42.1	178	-169.7	60.1	46	0	0	111.8	F46 K90 Y91 Q96 T97 D98 W121	F46-Q94 HydrophobicContact CE2-CB 4.08Å; F46-Q94 HydrophobicContact CE2-CG 3.74Å; F46-Q94 HydrophobicContact CZ-CB 3.9Å; F46-Q94 HydrophobicContact CZ-CG 3.91Å; K90-Q94 PolarHBondContact O-N 3.2Å; Y91-Q94 PolarHBondContact O-N 3.22Å; Q94-Q96 VanDerWaalsContact C-N 3.26Å; Q94-Q96 PolarHBondContact O-N 2.9Å; Q94-T97 CarbonylContact O-C 3.57Å; Q94-T97 WeakPolarHBondContact O-CA 3.34Å; Q94-T97 WeakPolarHBondContact O-CB 3.46Å; Q94-T97 PolarHBondContact O-N 3.2Å; Q94-D98 PolarHBondContact NE2-OD1 3.38Å; Q94-D98 PolarHBondContact O-N 3.22Å; Q94-W121 HydrophobicContact CG-CE3 4.04Å; Q94-W121 HydrophobicContact CG-CZ3 3.82Å
95	A	98.4	Very high	98.1	Very high	19 Å²	19	62.4 Å²	62.4	16%	0.157	29%	0.292	C	S	.	.	H	α-helix	trans	-57.5	-38.4	175.5	0	0	0	0	0	112.6	F46 Y91 R93 R99	F46-A95 HydrophobicContact CB-CB 3.71Å; F46-A95 HydrophobicContact CD1-CB 3.9Å; F46-A95 HydrophobicContact CD2-CB 3.89Å; F46-A95 HydrophobicContact CE1-CB 4.47Å; F46-A95 HydrophobicContact CE2-CB 4.49Å; F46-A95 HydrophobicContact CG-CB 3.57Å; Y91-A95 WeakPolarHBondContact O-CB 3.44Å; Y91-A95 PolarHBondContact O-N 2.66Å; R93-A95 VanDerWaalsContact C-N 3.35Å; R93-A95 PolarHBondContact O-N 2.98Å; A95-R99 WeakPolarHBondContact O-CB 3.41Å; A95-R99 PolarHBondContact O-N 3.07Å
96	Q	98.1	Very high	98.1	Very high	112 Å²	112	60.1 Å²	60.1	52%	0.523	28%	0.275	S	S	.	.	H	α-helix	trans	-70.3	-39.4	174.2	-63.8	-55.5	-41.1	0	0	112.3	K92 R93 Q94 R99 V100	K92-Q96 PolarHBondContact O-N 2.79Å; R93-Q96 PolarHBondContact O-N 3.44Å; R93-Q96 VanDerWaalsContact O-N 3.16Å; Q94-Q96 VanDerWaalsContact C-N 3.26Å; Q94-Q96 PolarHBondContact O-N 2.9Å; Q96-R99 PolarHBondContact O-N 3.28Å; Q96-V100 PolarHBondContact O-N 3.01Å
97	T	98.1	Very high	98.1	Very high	74 Å²	74	57.2 Å²	57.2	45%	0.454	28%	0.278	S	S	.	.	H	α-helix	trans	-60.5	-49.2	174	-58.2	0	0	0	0	111	R93 Q94 R99 V100 S101	R93-T97 PolarHBondContact O-N 2.63Å; R93-T97 PolarHBondContact O-OG1 3.4Å; Q94-T97 CarbonylContact O-C 3.57Å; Q94-T97 WeakPolarHBondContact O-CA 3.34Å; Q94-T97 WeakPolarHBondContact O-CB 3.46Å; Q94-T97 PolarHBondContact O-N 3.2Å; T97-R99 VanDerWaalsContact C-N 3.31Å; T97-R99 PolarHBondContact O-N 3.14Å; T97-V100 PolarHBondContact O-N 3.27Å; T97-V100 VanDerWaalsContact O-N 3.09Å; T97-S101 PolarHBondContact O-N 3.06Å; T97-S101 PolarHBondContact O-OG 2.98Å
98	D	98.3	Very high	98.1	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-62.3	-37.6	179.6	-77.7	12.9	0	0	0	112.4	S35 Q94 V100 S101 L102 L119	S35-D98 WeakPolarHBondContact OG-CB 3.41Å; S35-D98 PolarHBondContact OG-OD2 3.01Å; Q94-D98 PolarHBondContact NE2-OD1 3.38Å; Q94-D98 PolarHBondContact O-N 3.22Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 2.96Å; D98-S101 PolarHBondContact O-N 3.39Å; D98-L102 WeakPolarHBondContact O-CB 3.35Å; D98-L102 WeakPolarHBondContact O-CG 3.43Å; D98-L102 PolarHBondContact O-N 3.05Å; D98-L119 HydrophobicContact CB-CD2 4.18Å
99	R	98.1	Very high	98.1	Very high	80 Å²	80	62.2 Å²	62.2	30%	0.302	30%	0.296	S	S	.	.	H	α-helix	trans	-57.5	-44.8	173.3	177.3	-170.5	173.1	173.2	11	111.7	E43 P44 A95 Q96 T97 R103	E43-R99 IonicContact OE1-CZ 3.67Å; E43-R99 IonicContact OE1-NE 2.7Å; E43-R99 IonicContact OE1-NH1 2.79Å; E43-R99 PolarHBondContact OE1-NH1 2.94Å; E43-R99 IonicContact OE1-NH2 3.91Å; E43-R99 PolarHBondContact OE1-NH2 2.99Å; E43-R99 VanDerWaalsContact OE2-CD 3.31Å; E43-R99 WeakPolarHBondContact OE2-CD 3.48Å; E43-R99 IonicContact OE2-CZ 3.5Å; E43-R99 IonicContact OE2-NE 3.53Å; E43-R99 PolarHBondContact OE2-NE 3.47Å; E43-R99 IonicContact OE2-NH1 3.39Å; E43-R99 PolarHBondContact OE2-NH1 3.41Å; E43-R99 IonicContact OE2-NH2 3.58Å; E43-R99 PolarHBondContact OE2-NH2 3.41Å; P44-R99 HydrophobicContact CG-CB 4.47Å; P44-R99 HydrophobicContact CG-CG 4.26Å; A95-R99 WeakPolarHBondContact O-CB 3.41Å; A95-R99 PolarHBondContact O-N 3.07Å; Q96-R99 PolarHBondContact O-N 3.28Å; T97-R99 VanDerWaalsContact C-N 3.31Å; T97-R99 PolarHBondContact O-N 3.14Å; R99-R103 PolarHBondContact O-N 3.45Å
100	V	98	Very high	98	Very high	74 Å²	74	64.4 Å²	64.4	45%	0.448	31%	0.311	S	S	.	.	H	α-helix	trans	-68.9	-42	177.1	175.8	0	0	0	0	110.4	Q96 T97 D98 L102 R103 N104	Q96-V100 PolarHBondContact O-N 3.01Å; T97-V100 PolarHBondContact O-N 3.27Å; T97-V100 VanDerWaalsContact O-N 3.09Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 2.96Å; V100-L102 PolarHBondContact O-N 3.35Å; V100-R103 WeakPolarHBondContact O-CB 3.44Å; V100-R103 PolarHBondContact O-N 3.37Å; V100-N104 PolarHBondContact O-N 3.29Å
101	S	98.3	Very high	98	Very high	36 Å²	36	63.8 Å²	63.8	25%	0.252	31%	0.309	S	S	.	.	H	α-helix	trans	-59	-45.6	176.5	-64.2	0	0	0	0	112.2	T97 D98 R103 N104 L105	T97-S101 PolarHBondContact O-N 3.06Å; T97-S101 PolarHBondContact O-OG 2.98Å; D98-S101 PolarHBondContact O-N 3.39Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 2.95Å; S101-N104 PolarHBondContact O-N 3.34Å; S101-N104 VanDerWaalsContact O-N 3.11Å; S101-L105 WeakPolarHBondContact O-CB 3.43Å; S101-L105 WeakPolarHBondContact O-CD1 3.46Å; S101-L105 VanDerWaalsContact O-CG 3.23Å; S101-L105 WeakPolarHBondContact O-CG 3.35Å; S101-L105 PolarHBondContact O-N 3.48Å
102	L	98.5	Very high	97.9	Very high	9 Å²	9	67.5 Å²	67.5	5%	0.047	34%	0.336	C	S	.	.	H	α-helix	trans	-57.2	-40.6	175.4	-78.1	168.2	0	0	0	112.2	P44 D98 V100 R106 H117 L119 Y142	P44-L102 HydrophobicContact CB-CD1 3.68Å; P44-L102 HydrophobicContact CG-CD1 3.78Å; D98-L102 WeakPolarHBondContact O-CB 3.35Å; D98-L102 WeakPolarHBondContact O-CG 3.43Å; D98-L102 PolarHBondContact O-N 3.05Å; V100-L102 PolarHBondContact O-N 3.35Å; L102-R106 WeakPolarHBondContact O-CB 3.35Å; L102-R106 PolarHBondContact O-N 3.43Å; L102-R106 VanDerWaalsContact O-N 3.08Å; L102-H117 HydrophobicContact CD2-CB 4.29Å; L102-L119 HydrophobicContact CD2-CB 3.66Å; L102-L119 HydrophobicContact CG-CB 4.08Å; L102-Y142 HydrophobicContact CD2-CE2 4.02Å
103	R	97.4	Very high	97.6	Very high	146 Å²	146	69.9 Å²	69.9	55%	0.551	35%	0.349	S	S	*	.	H	α-helix	trans	-66.1	-42.9	175.5	-174.4	-174	-67.7	164.8	-2	111.7	R99 V100 S101 G107	R99-R103 PolarHBondContact O-N 3.45Å; V100-R103 WeakPolarHBondContact O-CB 3.44Å; V100-R103 PolarHBondContact O-N 3.37Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 2.95Å; R103-G107 PolarHBondContact O-N 2.97Å
104	N	97.9	Very high	97.4	Very high	67 Å²	67	66.1 Å²	66.1	36%	0.358	35%	0.352	S	S	.	.	H	α-helix	trans	-64.9	-47.6	179	-70.2	-20.9	0	0	0	111.5	V100 S101 G107 Y108	V100-N104 PolarHBondContact O-N 3.29Å; S101-N104 PolarHBondContact O-N 3.34Å; S101-N104 VanDerWaalsContact O-N 3.11Å; N104-G107 CarbonylContact O-C 3.58Å; N104-G107 WeakPolarHBondContact O-CA 3.34Å; N104-G107 PolarHBondContact O-N 2.95Å; N104-Y108 HydrophobicContact CB-CE2 4.41Å; N104-Y108 WeakPolarHBondContact O-CD1 3.31Å; N104-Y108 PolarHBondContact O-N 3.41Å
105	L	98.4	Very high	97.2	Very high	7 Å²	7	66 Å²	66	4%	0.037	36%	0.359	C	S	.	.	H	α-helix	trans	-59.2	-48.6	179.2	-71.5	163.7	0	0	0	110.9	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.43Å; S101-L105 WeakPolarHBondContact O-CD1 3.46Å; S101-L105 VanDerWaalsContact O-CG 3.23Å; S101-L105 WeakPolarHBondContact O-CG 3.35Å; S101-L105 PolarHBondContact O-N 3.48Å; L105-G107 PolarHBondContact O-N 3.47Å; L105-Y108 PolarHBondContact O-N 3.28Å; L105-Y109 HydrophobicContact CD2-CE2 4.22Å; L105-Y109 VanDerWaalsContact O-CD2 3.23Å; L105-Y109 WeakPolarHBondContact O-CD2 3.3Å; L105-Y109 PolarHBondContact O-N 2.98Å; L105-L119 HydrophobicContact CD1-CD1 3.81Å; L105-L119 HydrophobicContact CD1-CD2 4.28Å; L105-L119 HydrophobicContact CD1-CG 4.49Å; L105-Y142 HydrophobicContact CB-CD1 4.42Å; L105-Y142 HydrophobicContact CB-CD2 4.14Å; L105-Y142 HydrophobicContact CB-CE1 4.09Å; L105-Y142 HydrophobicContact CB-CE2 3.76Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.58Å; L105-Y142 HydrophobicContact CD1-CE2 3.91Å; L105-Y142 HydrophobicContact CD1-CG 4.09Å; L105-Y142 HydrophobicContact CD2-CG 4.46Å; L105-Y142 HydrophobicContact CG-CD2 4.34Å; L105-Y142 HydrophobicContact CG-CE2 4.42Å; L105-Y147 HydrophobicContact CD2-CD1 4.35Å; L105-Y147 HydrophobicContact CD2-CD2 3.99Å; L105-Y147 HydrophobicContact CD2-CE1 3.81Å; L105-Y147 HydrophobicContact CD2-CE2 3.37Å; L105-Y147 HydrophobicContact CD2-CG 4.44Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.4Å
106	R	97.6	Very high	97.2	Very high	58 Å²	58	68.7 Å²	68.7	22%	0.219	38%	0.376	C	S	.	.	H	α-helix	trans	-52.8	-41.3	173.6	-172.3	-172.3	66.1	178.8	9.4	112.1	L102 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.35Å; L102-R106 PolarHBondContact O-N 3.43Å; L102-R106 VanDerWaalsContact O-N 3.08Å; R106-N110 PolarHBondContact O-N 3.47Å; R106-Q111 HydrophobicContact CG-CB 3.76Å; R106-Q111 WeakPolarHBondContact CG-O 3.39Å; R106-Q111 PolarHBondContact O-N 2.88Å; R106-E113 IonicContact CZ-OE1 3.41Å; R106-E113 IonicContact NH1-OE1 2.76Å; R106-E113 IonicContact NH2-OE1 3.7Å; R106-E113 PolarHBondContact NH2-OE1 3.44Å
107	G	97.6	Very high	97.2	Very high	44 Å²	44	64.1 Å²	64.1	45%	0.454	36%	0.355	S	S	.	.	H	α-helix	trans	-66.1	-45.5	174.8	0	0	0	0	0	113.4	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.97Å; N104-G107 CarbonylContact O-C 3.58Å; N104-G107 WeakPolarHBondContact O-CA 3.34Å; N104-G107 PolarHBondContact O-N 2.95Å; L105-G107 PolarHBondContact O-N 3.47Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.47Å; G107-N110 PolarHBondContact O-N 3.35Å; G107-N110 VanDerWaalsContact O-N 3.12Å
108	Y	98.2	Very high	97.2	Very high	59 Å²	59	62.4 Å²	62.4	23%	0.231	34%	0.344	C	S	.	.	H	α-helix	trans	-62.1	-35.7	179.8	-61.9	-13.8	0	0	0	112.4	N104 L105 I166 K170	N104-Y108 HydrophobicContact CB-CE2 4.41Å; N104-Y108 WeakPolarHBondContact O-CD1 3.31Å; N104-Y108 PolarHBondContact O-N 3.41Å; L105-Y108 PolarHBondContact O-N 3.28Å; Y108-I166 HydrophobicContact CD1-CD1 4.15Å; Y108-I166 HydrophobicContact CD2-CD1 4.43Å; Y108-I166 HydrophobicContact CE1-CG2 4.26Å; Y108-I166 HydrophobicContact CE2-CB 4.27Å; Y108-I166 HydrophobicContact CE2-CG2 4.05Å; Y108-I166 HydrophobicContact CG-CD1 4.13Å; Y108-K170 PolarHBondContact OH-NZ 2.74Å
109	Y	98.1	Very high	97.3	Very high	68 Å²	68	62.5 Å²	62.5	27%	0.267	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	4.4	177.9	-68.4	-71.1	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.22Å; L105-Y109 VanDerWaalsContact O-CD2 3.23Å; L105-Y109 WeakPolarHBondContact O-CD2 3.3Å; L105-Y109 PolarHBondContact O-N 2.98Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.47Å; Y109-Q111 PolarHBondContact O-N 3.31Å; Y109-Y142 AromaticContact CD2-CD1 3.78Å; Y109-Y142 HydrophobicContact CD2-CD1 3.78Å; Y109-Y142 AromaticContact CD2-CE1 3.55Å; Y109-Y142 HydrophobicContact CD2-CE1 3.55Å; Y109-Y142 AromaticContact CE2-CD1 3.55Å; Y109-Y142 HydrophobicContact CE2-CD1 3.55Å; Y109-Y142 AromaticContact CE2-CE1 3.85Å; Y109-Y142 HydrophobicContact CE2-CE1 3.85Å; Y109-Y142 HydrophobicContact CG-CE1 4.46Å; Y109-Y147 HydrophobicContact CE2-CD2 4.4Å; Y109-Y147 HydrophobicContact CE2-CE2 4.1Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.3Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.37Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.35Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.23Å; Y109-D161 PolarHBondContact OH-OD1 3.3Å; Y109-D161 PolarHBondContact OH-OD2 3.45Å; Y109-A163 HydrophobicContact CD1-CB 4.15Å; Y109-A163 HydrophobicContact CD2-CB 4.41Å; Y109-A163 HydrophobicContact CE1-CB 3.59Å; Y109-A163 HydrophobicContact CE2-CB 3.88Å; Y109-A163 VanDerWaalsContact CZ-CB 3.45Å
110	N	97.2	Very high	97.3	Very high	151 Å²	151	62.4 Å²	62.4	81%	0.807	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	39.3	-177	-58	-59	0	0	0	113.4	R106 G107	R106-N110 PolarHBondContact O-N 3.47Å; G107-N110 PolarHBondContact O-N 3.35Å; G107-N110 VanDerWaalsContact O-N 3.12Å
111	Q	97.5	Very high	97.3	Very high	57 Å²	57	59.7 Å²	59.7	27%	0.266	33%	0.33	S	S	.	.			trans	-85.6	151.7	-176.4	-70.8	169.5	-32.3	0	0	111.8	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.76Å; R106-Q111 WeakPolarHBondContact CG-O 3.39Å; R106-Q111 PolarHBondContact O-N 2.88Å; Y109-Q111 PolarHBondContact O-N 3.31Å; Q111-H117 PolarHBondContact NE2-CE1 3.31Å; Q111-H117 PolarHBondContact OE1-CE1 3.36Å; Q111-H117 PolarHBondContact OE1-ND1 2.89Å; Q111-Y142 PolarHBondContact OE1-OH 2.92Å; Q111-D143 PolarHBondContact NE2-OD2 3.47Å
112	S	95.6	Very high	97.3	Very high	83 Å²	83	59.1 Å²	59.1	58%	0.58	32%	0.323	S	S	*	.			trans	-67	147.2	179	176.1	0	0	0	0	112.5	A114 G115	S112-A114 PolarHBondContact O-N 3.17Å; S112-A114 PolarHBondContact OG-N 3.4Å; S112-G115 PolarHBondContact O-N 2.94Å
113	E	92.8	Very high	97.3	Very high	132 Å²	132	58.9 Å²	58.9	62%	0.617	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-20	174.9	-55.8	-152.6	128.9	0	0	114	P39 R106 G115	P39-E113 VanDerWaalsContact CB-O 3.32Å; P39-E113 WeakPolarHBondContact CB-O 3.14Å; P39-E113 WeakPolarHBondContact CG-O 3.34Å; R106-E113 IonicContact CZ-OE1 3.41Å; R106-E113 IonicContact NH1-OE1 2.76Å; R106-E113 IonicContact NH2-OE1 3.7Å; R106-E113 PolarHBondContact NH2-OE1 3.44Å; E113-G115 VanDerWaalsContact C-N 3.29Å
114	A	93.5	Very high	97.4	Very high	83 Å²	83	52 Å²	52	69%	0.686	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-14.3	178.5	0	0	0	0	0	113	S112	S112-A114 PolarHBondContact O-N 3.17Å; S112-A114 PolarHBondContact OG-N 3.4Å
115	G	94.4	Very high	97.4	Very high	26 Å²	26	48.8 Å²	48.8	27%	0.268	28%	0.279	S	S	.	.			trans	-74.7	134.7	-179.3	0	0	0	0	0	112.7	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.23Å; S112-G115 PolarHBondContact O-N 2.94Å; E113-G115 VanDerWaalsContact C-N 3.29Å; G115-H117 PolarHBondContact O-CD2 3.35Å; G115-H117 VanDerWaalsContact O-CD2 3.25Å
116	S	97.6	Very high	97.4	Very high	76 Å²	76	49.5 Å²	49.5	53%	0.531	28%	0.283	S	S	.	.			trans	-81	134	164.6	-179.2	0	0	0	0	108.7	S37	S37-S116 PolarHBondContact O-OG 3.09Å
117	H	98.4	Very high	97.4	Very high	15 Å²	15	46.9 Å²	46.9	7%	0.069	27%	0.273	C	S	.	.			trans	-132.9	150.8	-176.6	-64.8	-72	0	0	0	110.6	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.36Å; S37-H117 PolarHBondContact N-O 3.07Å; S37-H117 PolarHBondContact OG-N 3.35Å; S37-H117 PolarHBondContact OG-O 2.96Å; L102-H117 HydrophobicContact CD2-CB 4.29Å; Q111-H117 PolarHBondContact NE2-CE1 3.31Å; Q111-H117 PolarHBondContact OE1-CE1 3.36Å; Q111-H117 PolarHBondContact OE1-ND1 2.89Å; G115-H117 PolarHBondContact O-CD2 3.35Å; G115-H117 VanDerWaalsContact O-CD2 3.25Å; H117-Y142 HydrophobicContact CB-CE2 3.85Å; H117-Y142 WeakPolarHBondContact CB-OH 3.49Å; H117-Y142 AromaticContact CG-CZ 3.99Å; H117-Y142 AromaticContact ND1-CZ 3.93Å; H117-Y142 PolarHBondContact ND1-OH 3.22Å; H117-D143 WeakPolarHBondContact CA-OD1 3.42Å; H117-D143 WeakPolarHBondContact CB-OD1 3.37Å; H117-D143 IonicContact CE1-OD2 3.58Å; H117-D143 IonicContact CG-OD1 3.63Å; H117-D143 IonicContact CG-OD2 2.71Å; H117-D143 IonicContact ND1-OD1 2.73Å; H117-D143 IonicContact ND1-OD2 3.07Å; H117-D143 PolarHBondContact ND1-OD2 2.96Å
118	T	98.8	Very high	97.2	Very high	38 Å²	38	45.2 Å²	45.2	23%	0.233	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.8	-176.1	-57.8	0	0	0	0	110.1	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.08Å; S35-T118 CarbonylContact O-C 3.51Å; S35-T118 WeakPolarHBondContact O-CA 3.45Å; V36-T118 HydrophobicContact CG2-CG2 4.25Å; T118-Q120 HydrophobicContact CG2-CG 3.97Å; T118-Y142 CarbonylContact O-C 3.59Å; T118-Y142 WeakPolarHBondContact O-CA 3.33Å; T118-Y142 VanDerWaalsContact O-CD2 3.31Å; T118-Y142 WeakPolarHBondContact O-CD2 3.47Å; T118-D143 PolarHBondContact N-OD1 2.85Å; T118-D143 PolarHBondContact O-N 3.36Å
119	L	98.9	Very high	96.7	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.016	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.5	169.3	175.8	62.7	0	0	0	108.3	S35 D98 L102 L105 Y140	S35-L119 PolarHBondContact N-O 2.92Å; S35-L119 PolarHBondContact O-N 2.88Å; D98-L119 HydrophobicContact CB-CD2 4.18Å; L102-L119 HydrophobicContact CD2-CB 3.66Å; L102-L119 HydrophobicContact CG-CB 4.08Å; L105-L119 HydrophobicContact CD1-CD1 3.81Å; L105-L119 HydrophobicContact CD1-CD2 4.28Å; L105-L119 HydrophobicContact CD1-CG 4.49Å; L119-Y140 HydrophobicContact CD1-CD1 4.14Å
120	Q	98.8	Very high	96.3	Very high	79 Å²	79	48.3 Å²	48.3	37%	0.369	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	142	176.2	-65	173.2	-89.6	0	0	109.6	F33 T34 T118 Y140 A141	F33-Q120 CarbonylContact O-C 3.58Å; F33-Q120 VanDerWaalsContact O-CA 3.27Å; F33-Q120 WeakPolarHBondContact O-CA 3.47Å; T34-Q120 HydrophobicContact CG2-CG 4.17Å; T118-Q120 HydrophobicContact CG2-CG 3.97Å; Q120-Y140 CarbonylContact O-C 3.52Å; Q120-Y140 VanDerWaalsContact O-CA 3.25Å; Q120-Y140 WeakPolarHBondContact O-CA 3.5Å; Q120-A141 HydrophobicContact CB-CB 4.35Å; Q120-A141 PolarHBondContact N-O 2.85Å; Q120-A141 PolarHBondContact O-N 3.19Å
121	W	98.6	Very high	95.9	Very high	16 Å²	16	42 Å²	42	6%	0.061	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	129.5	175.1	176.1	35	0	0	0	109.3	F33 Q94 C123 D138 Q139 Y140	F33-W121 HydrophobicContact CB-CB 4.22Å; F33-W121 HydrophobicContact CB-CE3 4.46Å; F33-W121 HydrophobicContact CD2-CB 4.14Å; F33-W121 AromaticContact CD2-CD2 3.68Å; F33-W121 HydrophobicContact CD2-CD2 3.68Å; F33-W121 AromaticContact CD2-CE3 3.29Å; F33-W121 HydrophobicContact CD2-CE3 3.29Å; F33-W121 HydrophobicContact CD2-CG 4.07Å; F33-W121 AromaticContact CD2-CZ3 3.88Å; F33-W121 HydrophobicContact CD2-CZ3 3.88Å; F33-W121 WeakPolarHBondContact CD2-O 3.4Å; F33-W121 HydrophobicContact CE2-CD2 4.01Å; F33-W121 AromaticContact CE2-CE3 3.55Å; F33-W121 HydrophobicContact CE2-CE3 3.55Å; F33-W121 HydrophobicContact CE2-CH2 4.22Å; F33-W121 AromaticContact CE2-CZ3 3.64Å; F33-W121 HydrophobicContact CE2-CZ3 3.64Å; F33-W121 AromaticContact CG-CE3 3.9Å; F33-W121 HydrophobicContact CG-CE3 3.9Å; F33-W121 HydrophobicContact CZ-CE3 4.34Å; F33-W121 HydrophobicContact CZ-CZ3 4.09Å; F33-W121 PolarHBondContact N-O 3Å; F33-W121 PolarHBondContact O-N 3.12Å; Q94-W121 HydrophobicContact CG-CE3 4.04Å; Q94-W121 HydrophobicContact CG-CZ3 3.82Å; W121-C123 HydrophobicContact CZ2-CB 3.88Å; W121-D138 PolarHBondContact NE1-OD1 2.56Å; W121-Q139 WeakPolarHBondContact CA-O 3.38Å; W121-Y140 HydrophobicContact CB-CD1 3.64Å; W121-Y140 HydrophobicContact CB-CE1 3.48Å; W121-Y140 VanDerWaalsContact CB-CE1 3.48Å; W121-Y140 HydrophobicContact CB-CG 4.37Å; W121-Y140 AromaticContact CD1-CD1 3.95Å; W121-Y140 AromaticContact CD1-CD2 3.74Å; W121-Y140 AromaticContact CD1-CE1 3.61Å; W121-Y140 AromaticContact CD1-CE2 3.35Å; W121-Y140 AromaticContact CD1-CZ 3.29Å; W121-Y140 AromaticContact CD2-CE1 3.84Å; W121-Y140 HydrophobicContact CD2-CE1 3.84Å; W121-Y140 HydrophobicContact CD2-CE2 4.38Å; W121-Y140 AromaticContact CD2-CZ 3.61Å; W121-Y140 AromaticContact CE2-CZ 3.68Å; W121-Y140 VanDerWaalsContact CE2-OH 3.24Å; W121-Y140 HydrophobicContact CE3-CE1 4.46Å; W121-Y140 AromaticContact CG-CD1 3.87Å; W121-Y140 HydrophobicContact CG-CD1 3.87Å; W121-Y140 HydrophobicContact CG-CD2 4.43Å; W121-Y140 AromaticContact CG-CE1 3.36Å; W121-Y140 HydrophobicContact CG-CE1 3.36Å; W121-Y140 AromaticContact CG-CE2 3.98Å; W121-Y140 HydrophobicContact CG-CE2 3.98Å; W121-Y140 HydrophobicContact CG-CG 4.38Å; W121-Y140 AromaticContact CG-CZ 3.42Å; W121-Y140 VanDerWaalsContact CG-CZ 3.42Å; W121-Y140 AromaticContact NE1-CE2 3.42Å; W121-Y140 AromaticContact NE1-CZ 3.42Å; W121-Y140 PolarHBondContact NE1-OH 3.18Å
122	M	98.6	Very high	95.7	Very high	25 Å²	25	47.5 Å²	47.5	12%	0.123	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.2	170.4	-171.7	-79.2	-72.2	0	0	109	K30 Y31 F32 Y137 D138 Q139	K30-M122 HydrophobicContact CG-SD 4.41Å; Y31-M122 WeakPolarHBondContact O-CA 3.37Å; F32-M122 HydrophobicContact CD1-CB 4.09Å; F32-M122 HydrophobicContact CD1-CG 3.61Å; F32-M122 HydrophobicContact CE1-CB 4.29Å; F32-M122 HydrophobicContact CE1-CG 3.42Å; F32-M122 VanDerWaalsContact CE1-CG 3.42Å; F32-M122 HydrophobicContact CG-CG 4.43Å; F32-M122 HydrophobicContact CZ-CG 4.1Å; M122-Y137 HydrophobicContact CE-CD1 3.98Å; M122-Y137 HydrophobicContact CE-CG 3.94Å; M122-Y137 HydrophobicContact SD-CG 4.44Å; M122-D138 WeakPolarHBondContact O-CA 3.45Å; M122-Q139 HydrophobicContact CB-CG 4.08Å; M122-Q139 HydrophobicContact CE-CG 3.9Å; M122-Q139 PolarHBondContact N-O 3.35Å; M122-Q139 PolarHBondContact O-N 2.95Å
123	C	98.3	Very high	95.8	Very high	4 Å²	4	46 Å²	46	3%	0.027	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	148.9	170.8	69.5	0	0	0	0	111.2	Y31 W121 Y137	Y31-C123 PolarHBondContact N-O 3.16Å; Y31-C123 PolarHBondContact O-N 2.85Å; Y31-C123 VanDerWaalsContact O-N 3.1Å; W121-C123 HydrophobicContact CZ2-CB 3.88Å; C123-Y137 WeakPolarHBondContact CA-O 3.32Å; C123-Y137 WeakPolarHBondContact CB-O 3.33Å
124	G	98.4	Very high	95.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174	177.5	-176.3	0	0	0	0	0	114	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.58Å; M29-G124 WeakPolarHBondContact O-CA 3.34Å; G124-G136 CarbonylContact O-C 3.42Å; G124-Y137 PolarHBondContact N-O 2.88Å; G124-Y137 PolarHBondContact O-N 2.85Å; G124-L184 WeakPolarHBondContact O-CD2 3.38Å
125	C	98.4	Very high	96.1	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	145.3	177.9	53.3	0	0	0	0	110.9	S28 M29 L133 R135 C188	S28-C125 CarbonylContact C-O 3.57Å; S28-C125 WeakPolarHBondContact CA-O 3.46Å; M29-C125 PolarHBondContact N-O 2.82Å; M29-C125 PolarHBondContact O-N 3.19Å; C125-L133 HydrophobicContact CB-CD1 3.57Å; C125-R135 CarbonylContact C-O 3.53Å; C125-R135 VanDerWaalsContact CA-O 3.32Å; C125-R135 WeakPolarHBondContact CA-O 3.03Å; C125-C188 HydrophobicContact CB-CB 3.92Å; C125-C188 WeakPolarHBondContact CB-SG 3.49Å; C125-C188 PolarHBondContact N-SG 3.18Å; C125-C188 WeakPolarHBondContact SG-CB 3.33Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.88Å
126	D	98	Very high	96.3	Very high	22 Å²	22	45 Å²	45	12%	0.118	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	137.7	169.7	-59.9	-17.1	0	0	0	108.9	H27 S28 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.54Å; H27-D126 WeakPolarHBondContact O-CA 3.32Å; S28-D126 WeakPolarHBondContact CB-OD1 3.4Å; D126-L134 HydrophobicContact CB-CB 4.36Å; D126-L134 PolarHBondContact O-N 3.12Å; D126-R135 HydrophobicContact CB-CB 4.36Å; D126-R135 PolarHBondContact N-O 3.46Å; D126-R135 PolarHBondContact O-N 2.83Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.17Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.24Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.28Å; D126-Y137 PolarHBondContact OD2-OH 3.43Å
127	L	96.9	Very high	96.3	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.016	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	136.4	172.6	-56.2	-177.3	0	0	0	110.1	S26 H27 R132 V189 L192 R193	S26-L127 WeakPolarHBondContact CA-O 3.36Å; S26-L127 WeakPolarHBondContact CB-O 3.33Å; H27-L127 PolarHBondContact N-O 2.65Å; H27-L127 VanDerWaalsContact N-O 3.15Å; H27-L127 PolarHBondContact O-N 3.28Å; L127-R132 CarbonylContact C-O 3.6Å; L127-R132 VanDerWaalsContact CA-O 3.23Å; L127-R132 WeakPolarHBondContact CA-O 3.28Å; L127-V189 HydrophobicContact CD2-CB 4.21Å; L127-V189 HydrophobicContact CD2-CG1 3.82Å; L127-V189 HydrophobicContact CD2-CG2 3.85Å; L127-L192 HydrophobicContact CB-CD2 4.48Å; L127-L192 HydrophobicContact CD1-CB 4.23Å; L127-L192 HydrophobicContact CD1-CD2 3.67Å; L127-L192 HydrophobicContact CD1-CG 3.73Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.22Å; L127-R193 HydrophobicContact CD1-CG 3.96Å
128	G	93.4	Very high	96.3	Very high	10 Å²	10	42.8 Å²	42.8	10%	0.103	22%	0.216	C	C	.	.			trans	-70.3	174.7	166	0	0	0	0	0	112	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.07Å; G128-D130 VanDerWaalsContact O-N 3.16Å; G128-G131 WeakPolarHBondContact O-CA 3.46Å; G128-G131 PolarHBondContact O-N 3.4Å; G128-R132 PolarHBondContact N-O 3.15Å
129	P	88.8	Confident	96.3	Very high	89 Å²	89	44.6 Å²	44.6	58%	0.578	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.9	178.6	-18.5	26.8	0	0	0	114.1	A24 C25 G131	A24-P129 HydrophobicContact CB-CG 3.36Å; C25-P129 WeakPolarHBondContact O-CA 3.49Å; P129-G131 PolarHBondContact O-N 2.81Å
130	D	89.1	Confident	96.3	Very high	103 Å²	103	45.3 Å²	45.3	55%	0.551	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	3.3	174.4	70.7	-14.1	0	0	0	112.9	G128 R132	G128-D130 PolarHBondContact O-N 3.07Å; G128-D130 VanDerWaalsContact O-N 3.16Å; D130-R132 PolarHBondContact O-N 2.82Å; D130-R132 WeakPolarHBondContact OD1-CB 3.36Å; D130-R132 PolarHBondContact OD1-N 2.75Å; D130-R132 WeakPolarHBondContact OD2-CD 3.49Å; D130-R132 WeakPolarHBondContact OD2-CG 3.18Å; D130-R132 IonicContact OD2-NE 2.65Å
131	G	89.3	Confident	96.3	Very high	19 Å²	19	42.3 Å²	42.3	20%	0.196	21%	0.213	C	C	.	.	S	Bend	trans	71.8	10.5	-178.6	0	0	0	0	0	113.9	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.46Å; G128-G131 PolarHBondContact O-N 3.4Å; P129-G131 PolarHBondContact O-N 2.81Å; G131-R193 VanDerWaalsContact O-CZ 3.27Å; G131-R193 PolarHBondContact O-NE 3.4Å; G131-R193 PolarHBondContact O-NH2 3.18Å
132	R	93.9	Very high	96.3	Very high	171 Å²	171	42.1 Å²	42.1	65%	0.645	21%	0.212	S	C	*	.	S	Bend	trans	-89.8	154.9	178.2	-61.8	-173.6	-176.3	167.9	-2.1	111.3	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.6Å; L127-R132 VanDerWaalsContact CA-O 3.23Å; L127-R132 WeakPolarHBondContact CA-O 3.28Å; G128-R132 PolarHBondContact N-O 3.15Å; D130-R132 PolarHBondContact O-N 2.82Å; D130-R132 WeakPolarHBondContact OD1-CB 3.36Å; D130-R132 PolarHBondContact OD1-N 2.75Å; D130-R132 WeakPolarHBondContact OD2-CD 3.49Å; D130-R132 WeakPolarHBondContact OD2-CG 3.18Å; D130-R132 IonicContact OD2-NE 2.65Å; R132-L134 PolarHBondContact O-N 3.17Å; R132-L134 VanDerWaalsContact O-N 3.12Å
133	L	96.7	Very high	96.3	Very high	52 Å²	52	44 Å²	44	27%	0.272	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	117.7	175.4	-176.7	72	0	0	0	109.8	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.57Å; L133-R135 WeakPolarHBondContact CD1-O 3.48Å; L133-L154 HydrophobicContact CD2-CD1 4.17Å; L133-E185 HydrophobicContact CD2-CB 4.41Å; L133-E185 HydrophobicContact CD2-CG 3.7Å; L133-V189 HydrophobicContact CB-CG2 4.03Å; L133-V189 HydrophobicContact CD1-CG2 4.07Å
134	L	96.3	Very high	96.3	Very high	121 Å²	121	46.7 Å²	46.7	63%	0.634	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	-45.4	171.1	-178.9	63.9	0	0	0	110.1	D126 R132	D126-L134 HydrophobicContact CB-CB 4.36Å; D126-L134 PolarHBondContact O-N 3.12Å; R132-L134 PolarHBondContact O-N 3.17Å; R132-L134 VanDerWaalsContact O-N 3.12Å
135	R	96.6	Very high	96.3	Very high	94 Å²	94	54.4 Å²	54.4	36%	0.355	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	143.7	-176.8	-174.1	163.7	175.6	134.4	10.6	111.9	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.53Å; C125-R135 VanDerWaalsContact CA-O 3.32Å; C125-R135 WeakPolarHBondContact CA-O 3.03Å; D126-R135 HydrophobicContact CB-CB 4.36Å; D126-R135 PolarHBondContact N-O 3.46Å; D126-R135 PolarHBondContact O-N 2.83Å; L133-R135 WeakPolarHBondContact CD1-O 3.48Å; R135-Y137 HydrophobicContact CB-CE2 4.25Å; R135-Y137 VanDerWaalsContact CD-CZ 3.5Å; R135-Y137 VanDerWaalsContact CD-OH 3.28Å; R135-Y137 WeakPolarHBondContact CD-OH 3.3Å; R135-Y137 HydrophobicContact CG-CE1 4.08Å; R135-Y137 HydrophobicContact CG-CE2 3.89Å; R135-E152 IonicContact CZ-OE1 3.68Å; R135-E152 IonicContact NH1-OE1 3.66Å; R135-E152 PolarHBondContact NH1-OE1 2.94Å; R135-E152 IonicContact NH1-OE2 2.75Å; R135-E152 VanDerWaalsContact NH2-CG 3.34Å; R135-E152 IonicContact NH2-OE1 2.66Å; R135-E152 PolarHBondContact NH2-OE1 2.92Å
136	G	98	Very high	96.3	Very high	6 Å²	6	60.4 Å²	60.4	6%	0.062	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	150.3	170.1	0	0	0	0	0	111.3	G124	G124-G136 CarbonylContact O-C 3.42Å
137	Y	98.2	Very high	96.3	Very high	40 Å²	40	59.7 Å²	59.7	16%	0.157	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	138.1	179.9	-54.1	-94	0	0	0	110.6	M122 C123 G124 D126 R135	M122-Y137 HydrophobicContact CE-CD1 3.98Å; M122-Y137 HydrophobicContact CE-CG 3.94Å; M122-Y137 HydrophobicContact SD-CG 4.44Å; C123-Y137 WeakPolarHBondContact CA-O 3.32Å; C123-Y137 WeakPolarHBondContact CB-O 3.33Å; G124-Y137 PolarHBondContact N-O 2.88Å; G124-Y137 PolarHBondContact O-N 2.85Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.17Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.24Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.28Å; D126-Y137 PolarHBondContact OD2-OH 3.43Å; R135-Y137 HydrophobicContact CB-CE2 4.25Å; R135-Y137 VanDerWaalsContact CD-CZ 3.5Å; R135-Y137 VanDerWaalsContact CD-OH 3.28Å; R135-Y137 WeakPolarHBondContact CD-OH 3.3Å; R135-Y137 HydrophobicContact CG-CE1 4.08Å; R135-Y137 HydrophobicContact CG-CE2 3.89Å
138	D	98.4	Very high	96.4	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.016	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	101.5	166.4	-164.3	-43	0	0	0	108	W121 M122 Y140 L150 R180	W121-D138 PolarHBondContact NE1-OD1 2.56Å; M122-D138 WeakPolarHBondContact O-CA 3.45Å; D138-Y140 VanDerWaalsContact OD1-CE2 3.22Å; D138-Y140 WeakPolarHBondContact OD1-CE2 3.36Å; D138-L150 HydrophobicContact CB-CB 3.92Å; D138-L150 HydrophobicContact CB-CD2 4.07Å; D138-L150 WeakPolarHBondContact O-CB 3.44Å; D138-L150 PolarHBondContact O-N 2.94Å; D138-R180 WeakPolarHBondContact OD2-CD 3.32Å; D138-R180 WeakPolarHBondContact OD2-CG 3.42Å; D138-R180 IonicContact OD2-CZ 2.88Å; D138-R180 IonicContact OD2-NE 3.27Å; D138-R180 PolarHBondContact OD2-NE 2.9Å; D138-R180 IonicContact OD2-NH1 3.63Å
139	Q	98.6	Very high	96.7	Very high	76 Å²	76	60.7 Å²	60.7	36%	0.355	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	139.7	-172.7	64.8	-171.4	61.7	0	0	112.5	W121 M122 A149	W121-Q139 WeakPolarHBondContact CA-O 3.38Å; M122-Q139 HydrophobicContact CB-CG 4.08Å; M122-Q139 HydrophobicContact CE-CG 3.9Å; M122-Q139 PolarHBondContact N-O 3.35Å; M122-Q139 PolarHBondContact O-N 2.95Å; Q139-A149 HydrophobicContact CB-CB 3.85Å
140	Y	98.8	Very high	97.1	Very high	19 Å²	19	57.1 Å²	57.1	8%	0.075	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	143.8	-178.7	-67.8	-100.9	0	0	0	110.9	L119 Q120 W121 D138 Y147 I148 W171	L119-Y140 HydrophobicContact CD1-CD1 4.14Å; Q120-Y140 CarbonylContact O-C 3.52Å; Q120-Y140 VanDerWaalsContact O-CA 3.25Å; Q120-Y140 WeakPolarHBondContact O-CA 3.5Å; W121-Y140 HydrophobicContact CB-CD1 3.64Å; W121-Y140 HydrophobicContact CB-CE1 3.48Å; W121-Y140 VanDerWaalsContact CB-CE1 3.48Å; W121-Y140 HydrophobicContact CB-CG 4.37Å; W121-Y140 AromaticContact CD1-CD1 3.95Å; W121-Y140 AromaticContact CD1-CD2 3.74Å; W121-Y140 AromaticContact CD1-CE1 3.61Å; W121-Y140 AromaticContact CD1-CE2 3.35Å; W121-Y140 AromaticContact CD1-CZ 3.29Å; W121-Y140 AromaticContact CD2-CE1 3.84Å; W121-Y140 HydrophobicContact CD2-CE1 3.84Å; W121-Y140 HydrophobicContact CD2-CE2 4.38Å; W121-Y140 AromaticContact CD2-CZ 3.61Å; W121-Y140 AromaticContact CE2-CZ 3.68Å; W121-Y140 VanDerWaalsContact CE2-OH 3.24Å; W121-Y140 HydrophobicContact CE3-CE1 4.46Å; W121-Y140 AromaticContact CG-CD1 3.87Å; W121-Y140 HydrophobicContact CG-CD1 3.87Å; W121-Y140 HydrophobicContact CG-CD2 4.43Å; W121-Y140 AromaticContact CG-CE1 3.36Å; W121-Y140 HydrophobicContact CG-CE1 3.36Å; W121-Y140 AromaticContact CG-CE2 3.98Å; W121-Y140 HydrophobicContact CG-CE2 3.98Å; W121-Y140 HydrophobicContact CG-CG 4.38Å; W121-Y140 AromaticContact CG-CZ 3.42Å; W121-Y140 VanDerWaalsContact CG-CZ 3.42Å; W121-Y140 AromaticContact NE1-CE2 3.42Å; W121-Y140 AromaticContact NE1-CZ 3.42Å; W121-Y140 PolarHBondContact NE1-OH 3.18Å; D138-Y140 VanDerWaalsContact OD1-CE2 3.22Å; D138-Y140 WeakPolarHBondContact OD1-CE2 3.36Å; Y140-Y147 WeakPolarHBondContact O-CB 3.31Å; Y140-Y147 PolarHBondContact O-N 3.35Å; Y140-I148 HydrophobicContact CD2-CG2 4.14Å; Y140-I148 HydrophobicContact CG-CG2 4.49Å; Y140-I148 PolarHBondContact N-O 2.91Å; Y140-I148 PolarHBondContact O-N 3.44Å; Y140-W171 AromaticContact CD2-CH2 3.71Å; Y140-W171 HydrophobicContact CD2-CH2 3.71Å; Y140-W171 HydrophobicContact CD2-CZ3 4.21Å; Y140-W171 AromaticContact CE2-CH2 3.39Å; Y140-W171 HydrophobicContact CE2-CH2 3.39Å; Y140-W171 HydrophobicContact CE2-CZ2 4.39Å; Y140-W171 HydrophobicContact CE2-CZ3 4.03Å; Y140-W171 AromaticContact CZ-CH2 3.96Å
141	A	98.9	Very high	97.6	Very high	16 Å²	16	54.3 Å²	54.3	13%	0.132	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	144.6	170.9	0	0	0	0	0	110.5	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.35Å; Q120-A141 PolarHBondContact N-O 2.85Å; Q120-A141 PolarHBondContact O-N 3.19Å; A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.36Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 2.99Å
142	Y	98.8	Very high	98	Very high	11 Å²	11	59.8 Å²	59.8	4%	0.043	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128.5	177.6	-175.5	-116.8	0	0	0	110.2	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.02Å; L105-Y142 HydrophobicContact CB-CD1 4.42Å; L105-Y142 HydrophobicContact CB-CD2 4.14Å; L105-Y142 HydrophobicContact CB-CE1 4.09Å; L105-Y142 HydrophobicContact CB-CE2 3.76Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.58Å; L105-Y142 HydrophobicContact CD1-CE2 3.91Å; L105-Y142 HydrophobicContact CD1-CG 4.09Å; L105-Y142 HydrophobicContact CD2-CG 4.46Å; L105-Y142 HydrophobicContact CG-CD2 4.34Å; L105-Y142 HydrophobicContact CG-CE2 4.42Å; Y109-Y142 AromaticContact CD2-CD1 3.78Å; Y109-Y142 HydrophobicContact CD2-CD1 3.78Å; Y109-Y142 AromaticContact CD2-CE1 3.55Å; Y109-Y142 HydrophobicContact CD2-CE1 3.55Å; Y109-Y142 AromaticContact CE2-CD1 3.55Å; Y109-Y142 HydrophobicContact CE2-CD1 3.55Å; Y109-Y142 AromaticContact CE2-CE1 3.85Å; Y109-Y142 HydrophobicContact CE2-CE1 3.85Å; Y109-Y142 HydrophobicContact CG-CE1 4.46Å; Q111-Y142 PolarHBondContact OE1-OH 2.92Å; H117-Y142 HydrophobicContact CB-CE2 3.85Å; H117-Y142 WeakPolarHBondContact CB-OH 3.49Å; H117-Y142 AromaticContact CG-CZ 3.99Å; H117-Y142 AromaticContact ND1-CZ 3.93Å; H117-Y142 PolarHBondContact ND1-OH 3.22Å; T118-Y142 CarbonylContact O-C 3.59Å; T118-Y142 WeakPolarHBondContact O-CA 3.33Å; T118-Y142 VanDerWaalsContact O-CD2 3.31Å; T118-Y142 WeakPolarHBondContact O-CD2 3.47Å; Y142-G144 PolarHBondContact O-N 3.08Å; Y142-K145 PolarHBondContact N-O 2.82Å; Y142-K145 PolarHBondContact O-N 3.47Å
143	D	98.4	Very high	98.1	Very high	66 Å²	66	55.4 Å²	55.4	35%	0.353	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	39.1	-174.7	-66.8	-23	0	0	0	113.3	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.47Å; H117-D143 WeakPolarHBondContact CA-OD1 3.42Å; H117-D143 WeakPolarHBondContact CB-OD1 3.37Å; H117-D143 IonicContact CE1-OD2 3.58Å; H117-D143 IonicContact CG-OD1 3.63Å; H117-D143 IonicContact CG-OD2 2.71Å; H117-D143 IonicContact ND1-OD1 2.73Å; H117-D143 IonicContact ND1-OD2 3.07Å; H117-D143 PolarHBondContact ND1-OD2 2.96Å; T118-D143 PolarHBondContact N-OD1 2.85Å; T118-D143 PolarHBondContact O-N 3.36Å; D143-K145 VanDerWaalsContact C-N 3.33Å; D143-K145 PolarHBondContact O-N 2.79Å
144	G	97.6	Very high	98.2	Very high	59 Å²	59	53.4 Å²	53.4	61%	0.608	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	9.2	177.7	0	0	0	0	0	115.3	Y142	Y142-G144 PolarHBondContact O-N 3.08Å
145	K	98.6	Very high	98.3	Very high	162 Å²	162	55.6 Å²	55.6	70%	0.704	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	145.4	176.4	-61	-178.5	-177.2	179	0	110.7	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.36Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 2.99Å; Y142-K145 PolarHBondContact N-O 2.82Å; Y142-K145 PolarHBondContact O-N 3.47Å; D143-K145 VanDerWaalsContact C-N 3.33Å; D143-K145 PolarHBondContact O-N 2.79Å; K145-Y147 PolarHBondContact O-N 2.83Å
146	D	98.7	Very high	98.3	Very high	126 Å²	126	53.1 Å²	53.1	67%	0.674	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.9	136	173.6	-65.4	-32.7	0	0	0	110.6	A160	D146-A160 HydrophobicContact CB-CB 4.45Å; D146-A160 WeakPolarHBondContact O-CB 3.41Å
147	Y	98.8	Very high	98.4	Very high	8 Å²	8	53.3 Å²	53.3	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	-63.6	-179.4	179.4	-108	0	0	0	110.6	L105 Y109 Y140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.35Å; L105-Y147 HydrophobicContact CD2-CD2 3.99Å; L105-Y147 HydrophobicContact CD2-CE1 3.81Å; L105-Y147 HydrophobicContact CD2-CE2 3.37Å; L105-Y147 HydrophobicContact CD2-CG 4.44Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.4Å; Y109-Y147 HydrophobicContact CE2-CD2 4.4Å; Y109-Y147 HydrophobicContact CE2-CE2 4.1Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.3Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.37Å; Y140-Y147 WeakPolarHBondContact O-CB 3.31Å; Y140-Y147 PolarHBondContact O-N 3.35Å; K145-Y147 PolarHBondContact O-N 2.83Å; Y147-A160 WeakPolarHBondContact O-CB 3.48Å; Y147-A160 PolarHBondContact O-N 2.92Å; Y147-A163 HydrophobicContact CE2-CB 4.43Å; Y147-A163 PolarHBondContact OH-O 2.7Å; Y147-A164 HydrophobicContact CD2-CB 3.84Å; Y147-A164 HydrophobicContact CE1-CB 4.4Å; Y147-A164 HydrophobicContact CE2-CB 3.69Å; Y147-A164 HydrophobicContact CG-CB 4.27Å; Y147-A164 WeakPolarHBondContact O-CB 3.37Å; Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 PolarHBondContact OH-OG1 3.42Å
148	I	98.8	Very high	98.4	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.015	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	140.8	178.3	-161.6	173.5	0	0	0	110.2	Y140 W157 T158 T167 Q168 W171	Y140-I148 HydrophobicContact CD2-CG2 4.14Å; Y140-I148 HydrophobicContact CG-CG2 4.49Å; Y140-I148 PolarHBondContact N-O 2.91Å; Y140-I148 PolarHBondContact O-N 3.44Å; I148-W157 HydrophobicContact CD1-CB 4.18Å; I148-W157 HydrophobicContact CD1-CD2 4.43Å; I148-W157 HydrophobicContact CD1-CE3 4.24Å; I148-W157 HydrophobicContact CD1-CG 4.43Å; I148-W157 HydrophobicContact CG1-CB 4.27Å; I148-W157 HydrophobicContact CG1-CE3 4.1Å; I148-T158 WeakPolarHBondContact CA-O 3.23Å; I148-T158 WeakPolarHBondContact CG1-O 3.38Å; I148-T167 HydrophobicContact CD1-CG2 4.08Å; I148-Q168 HydrophobicContact CD1-CB 3.88Å; I148-W171 HydrophobicContact CD1-CE3 4.13Å; I148-W171 HydrophobicContact CD1-CZ3 4.34Å; I148-W171 HydrophobicContact CG2-CE3 4.47Å; I148-W171 HydrophobicContact CG2-CH2 3.99Å; I148-W171 HydrophobicContact CG2-CZ3 3.68Å
149	A	98.8	Very high	98.4	Very high	31 Å²	31	56.1 Å²	56.1	26%	0.256	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139.6	179	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.85Å; A149-W157 CarbonylContact O-C 3.56Å; A149-W157 WeakPolarHBondContact O-CA 3.49Å; A149-T158 PolarHBondContact N-O 3.01Å; A149-T158 PolarHBondContact O-N 3.39Å
150	L	98.8	Very high	98.4	Very high	14 Å²	14	55.4 Å²	55.4	7%	0.073	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	128.8	168.2	-174.7	66.8	0	0	0	108.5	D138 L154 W157 A177 R180 L184	D138-L150 HydrophobicContact CB-CB 3.92Å; D138-L150 HydrophobicContact CB-CD2 4.07Å; D138-L150 WeakPolarHBondContact O-CB 3.44Å; D138-L150 PolarHBondContact O-N 2.94Å; L150-L154 HydrophobicContact CD2-CB 4.43Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.32Å; L150-W157 HydrophobicContact CB-CE3 3.98Å; L150-W157 HydrophobicContact CB-CH2 4.06Å; L150-W157 HydrophobicContact CB-CZ3 3.65Å; L150-W157 HydrophobicContact CD1-CD2 4.14Å; L150-W157 HydrophobicContact CD1-CE3 4.29Å; L150-W157 HydrophobicContact CD1-CH2 4.06Å; L150-W157 HydrophobicContact CD1-CZ2 3.9Å; L150-W157 HydrophobicContact CD1-CZ3 4.24Å; L150-A177 HydrophobicContact CD1-CB 3.97Å; L150-R180 HydrophobicContact CD2-CB 4.03Å; L150-L184 HydrophobicContact CD2-CD1 3.97Å
151	N	98.5	Very high	98.4	Very high	44 Å²	44	57 Å²	57	24%	0.235	32%	0.316	C	S	.	.			trans	-72.4	163.7	180	-67.1	-29.3	0	0	0	111.3	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.85Å; N151-D153 VanDerWaalsContact O-N 3.07Å; N151-L154 WeakPolarHBondContact O-CA 3.06Å; N151-L154 PolarHBondContact O-N 3.14Å; N151-S156 WeakPolarHBondContact CB-O 3.38Å; N151-S156 WeakPolarHBondContact CB-OG 3.41Å; N151-S156 PolarHBondContact N-O 2.95Å; N151-S156 PolarHBondContact ND2-O 2.95Å; N151-S156 PolarHBondContact ND2-OG 2.93Å; N151-T158 PolarHBondContact ND2-OG1 3.47Å; N151-T158 WeakPolarHBondContact OD1-CB 3.15Å; N151-T158 PolarHBondContact OD1-OG1 3.31Å
152	E	97.3	Very high	98.3	Very high	134 Å²	134	61.5 Å²	61.5	63%	0.626	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.8	-179.6	-66.8	177.7	-163.7	0	0	113.6	R135 L154	R135-E152 IonicContact CZ-OE1 3.68Å; R135-E152 IonicContact NH1-OE1 3.66Å; R135-E152 PolarHBondContact NH1-OE1 2.94Å; R135-E152 IonicContact NH1-OE2 2.75Å; R135-E152 VanDerWaalsContact NH2-CG 3.34Å; R135-E152 IonicContact NH2-OE1 2.66Å; R135-E152 PolarHBondContact NH2-OE1 2.92Å; E152-L154 PolarHBondContact O-N 3.3Å
153	D	97.4	Very high	98.3	Very high	79 Å²	79	61.2 Å²	61.2	42%	0.422	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-8.6	174	70	4.4	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.85Å; N151-D153 VanDerWaalsContact O-N 3.07Å; D153-R155 WeakPolarHBondContact O-CG 3.44Å; D153-R155 PolarHBondContact O-N 3.41Å; D153-R155 PolarHBondContact OD1-N 2.6Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.41Å; D153-S156 PolarHBondContact OD1-OG 2.96Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.22Å; D153-S156 PolarHBondContact OD2-OG 2.91Å
154	L	98	Very high	98.3	Very high	10 Å²	10	58 Å²	58	5%	0.052	33%	0.325	C	S	.	.	S	Bend	trans	53.5	28.1	-174.9	-53.7	-178.8	0	0	0	113.7	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.17Å; L150-L154 HydrophobicContact CD2-CB 4.43Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.32Å; N151-L154 WeakPolarHBondContact O-CA 3.06Å; N151-L154 PolarHBondContact O-N 3.14Å; E152-L154 PolarHBondContact O-N 3.3Å; L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.85Å; L154-R181 HydrophobicContact CD1-CG 4.22Å; L154-L184 HydrophobicContact CD2-CD1 3.94Å; L154-E185 HydrophobicContact CD1-CG 4.19Å
155	R	97.6	Very high	98.4	Very high	167 Å²	167	58.8 Å²	58.8	63%	0.63	31%	0.313	S	S	*	.	S	Bend	trans	-134.8	-32.7	-174.1	-70.7	172.7	-172.7	-138.5	6.7	113	D153 A177 R181	D153-R155 WeakPolarHBondContact O-CG 3.44Å; D153-R155 PolarHBondContact O-N 3.41Å; D153-R155 PolarHBondContact OD1-N 2.6Å; R155-A177 WeakPolarHBondContact O-CB 3.31Å; R155-R181 VanDerWaalsContact NH2-NH1 3.11Å
156	S	98	Very high	98.4	Very high	41 Å²	41	53.9 Å²	53.9	29%	0.287	29%	0.294	S	S	.	.			trans	-114.7	160.9	-177.3	63.4	0	0	0	0	111.8	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.38Å; N151-S156 WeakPolarHBondContact CB-OG 3.41Å; N151-S156 PolarHBondContact N-O 2.95Å; N151-S156 PolarHBondContact ND2-O 2.95Å; N151-S156 PolarHBondContact ND2-OG 2.93Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.41Å; D153-S156 PolarHBondContact OD1-OG 2.96Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.22Å; D153-S156 PolarHBondContact OD2-OG 2.91Å
157	W	98.7	Very high	98.4	Very high	10 Å²	10	48.7 Å²	48.7	4%	0.038	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	145.2	-178.1	-60.8	91.6	0	0	0	110.8	I148 A149 L150 Q168 W171 E176 A177 R180	I148-W157 HydrophobicContact CD1-CB 4.18Å; I148-W157 HydrophobicContact CD1-CD2 4.43Å; I148-W157 HydrophobicContact CD1-CE3 4.24Å; I148-W157 HydrophobicContact CD1-CG 4.43Å; I148-W157 HydrophobicContact CG1-CB 4.27Å; I148-W157 HydrophobicContact CG1-CE3 4.1Å; A149-W157 CarbonylContact O-C 3.56Å; A149-W157 WeakPolarHBondContact O-CA 3.49Å; L150-W157 HydrophobicContact CB-CE3 3.98Å; L150-W157 HydrophobicContact CB-CH2 4.06Å; L150-W157 HydrophobicContact CB-CZ3 3.65Å; L150-W157 HydrophobicContact CD1-CD2 4.14Å; L150-W157 HydrophobicContact CD1-CE3 4.29Å; L150-W157 HydrophobicContact CD1-CH2 4.06Å; L150-W157 HydrophobicContact CD1-CZ2 3.9Å; L150-W157 HydrophobicContact CD1-CZ3 4.24Å; W157-Q168 HydrophobicContact CB-CG 4.19Å; W157-Q168 PolarHBondContact O-NE2 3.38Å; W157-W171 AromaticContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CZ3 4.46Å; W157-W171 AromaticContact CE2-CE3 3.79Å; W157-W171 AromaticContact CE3-CE3 3.82Å; W157-W171 HydrophobicContact CE3-CE3 3.82Å; W157-W171 AromaticContact CE3-CZ3 3.87Å; W157-W171 HydrophobicContact CE3-CZ3 3.87Å; W157-W171 AromaticContact CH2-CE3 3.44Å; W157-W171 HydrophobicContact CH2-CE3 3.44Å; W157-W171 VanDerWaalsContact CH2-CE3 3.44Å; W157-W171 AromaticContact CH2-CZ3 3.45Å; W157-W171 HydrophobicContact CH2-CZ3 3.45Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.45Å; W157-W171 HydrophobicContact CZ2-CD2 4.46Å; W157-W171 AromaticContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CZ3 4.08Å; W157-W171 AromaticContact CZ3-CE3 3.59Å; W157-W171 HydrophobicContact CZ3-CE3 3.59Å; W157-W171 AromaticContact CZ3-CZ3 3.34Å; W157-W171 HydrophobicContact CZ3-CZ3 3.34Å; W157-E176 HydrophobicContact CZ2-CB 4.26Å; W157-A177 HydrophobicContact CZ2-CB 4.29Å; W157-R180 HydrophobicContact CH2-CG 4.3Å
158	T	98.7	Very high	98.4	Very high	79 Å²	79	50.2 Å²	50.2	49%	0.485	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	118.5	166.4	-66.6	0	0	0	0	109	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.23Å; I148-T158 WeakPolarHBondContact CG1-O 3.38Å; A149-T158 PolarHBondContact N-O 3.01Å; A149-T158 PolarHBondContact O-N 3.39Å; N151-T158 PolarHBondContact ND2-OG1 3.47Å; N151-T158 WeakPolarHBondContact OD1-CB 3.15Å; N151-T158 PolarHBondContact OD1-OG1 3.31Å
159	A	98.7	Very high	98.4	Very high	24 Å²	24	57.4 Å²	57.4	20%	0.198	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	132.2	175.9	0	0	0	0	0	110.5	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.72Å; A159-Q165 HydrophobicContact CB-CG 4.02Å; A159-Q168 HydrophobicContact CB-CB 4.4Å
160	A	98.6	Very high	98.3	Very high	60 Å²	60	61.1 Å²	61.1	50%	0.496	31%	0.311	S	S	.	.	S	Bend	trans	-75.5	-30.8	-176.2	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.45Å; D146-A160 WeakPolarHBondContact O-CB 3.41Å; Y147-A160 WeakPolarHBondContact O-CB 3.48Å; Y147-A160 PolarHBondContact O-N 2.92Å
161	D	98.3	Very high	98.3	Very high	53 Å²	53	63 Å²	63	28%	0.283	32%	0.317	S	S	.	.	S	Bend	trans	-150.6	-175.2	-178.6	67.5	27.1	0	0	0	113.3	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.35Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.23Å; Y109-D161 PolarHBondContact OH-OD1 3.3Å; Y109-D161 PolarHBondContact OH-OD2 3.45Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 2.7Å; D161-A163 WeakPolarHBondContact OD1-CA 3.04Å; D161-A163 WeakPolarHBondContact OD1-CB 3.06Å; D161-A163 PolarHBondContact OD1-N 3.49Å; D161-A164 PolarHBondContact O-N 3.42Å; D161-A164 PolarHBondContact OD1-N 3.46Å; D161-Q165 WeakPolarHBondContact O-CG 3.28Å; D161-Q165 PolarHBondContact O-N 3.35Å
162	T	98.3	Very high	98.3	Very high	110 Å²	110	65.4 Å²	65.4	68%	0.675	33%	0.328	S	S	*	.	H	α-helix	trans	-66.6	-27.8	-178.6	52	0	0	0	0	113.7
163	A	98.3	Very high	98.4	Very high	5 Å²	5	63.2 Å²	63.2	4%	0.041	33%	0.332	C	S	.	.	H	α-helix	trans	-72.7	-43.7	174.1	0	0	0	0	0	110.1	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.15Å; Y109-A163 HydrophobicContact CD2-CB 4.41Å; Y109-A163 HydrophobicContact CE1-CB 3.59Å; Y109-A163 HydrophobicContact CE2-CB 3.88Å; Y109-A163 VanDerWaalsContact CZ-CB 3.45Å; Y147-A163 HydrophobicContact CE2-CB 4.43Å; Y147-A163 PolarHBondContact OH-O 2.7Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 2.7Å; D161-A163 WeakPolarHBondContact OD1-CA 3.04Å; D161-A163 WeakPolarHBondContact OD1-CB 3.06Å; D161-A163 PolarHBondContact OD1-N 3.49Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.77Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.23Å; A163-I166 PolarHBondContact O-N 3.03Å
164	A	98.6	Very high	98.4	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-60.5	-33.8	174.5	0	0	0	0	0	113.2	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.84Å; Y147-A164 HydrophobicContact CE1-CB 4.4Å; Y147-A164 HydrophobicContact CE2-CB 3.69Å; Y147-A164 HydrophobicContact CG-CB 4.27Å; Y147-A164 WeakPolarHBondContact O-CB 3.37Å; A159-A164 HydrophobicContact CB-CB 3.72Å; D161-A164 PolarHBondContact O-N 3.42Å; D161-A164 PolarHBondContact OD1-N 3.46Å; A164-I166 PolarHBondContact O-N 3.03Å; A164-T167 WeakPolarHBondContact O-CB 3.32Å; A164-T167 PolarHBondContact O-N 3.41Å; A164-Q168 PolarHBondContact O-N 3.48Å
165	Q	98.7	Very high	98.4	Very high	74 Å²	74	69 Å²	69	35%	0.346	36%	0.359	S	S	.	.	H	α-helix	trans	-60.1	-27.4	173.1	-72.8	174.3	9.2	0	0	113.1	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.02Å; D161-Q165 WeakPolarHBondContact O-CG 3.28Å; D161-Q165 PolarHBondContact O-N 3.35Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.77Å; Q165-R169 WeakPolarHBondContact O-CG 3.45Å; Q165-R169 PolarHBondContact O-N 2.84Å; Q165-R169 VanDerWaalsContact O-N 3.13Å
166	I	98.5	Very high	98.4	Very high	59 Å²	59	63.4 Å²	63.4	30%	0.303	34%	0.34	S	S	.	.	H	α-helix	trans	-67.2	-45	174.1	-57	171.4	0	0	0	109.8	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.15Å; Y108-I166 HydrophobicContact CD2-CD1 4.43Å; Y108-I166 HydrophobicContact CE1-CG2 4.26Å; Y108-I166 HydrophobicContact CE2-CB 4.27Å; Y108-I166 HydrophobicContact CE2-CG2 4.05Å; Y108-I166 HydrophobicContact CG-CD1 4.13Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.23Å; A163-I166 PolarHBondContact O-N 3.03Å; A164-I166 PolarHBondContact O-N 3.03Å; I166-K170 WeakPolarHBondContact O-CG 3.46Å; I166-K170 PolarHBondContact O-N 2.9Å
167	T	98.5	Very high	98.4	Very high	17 Å²	17	61.9 Å²	61.9	10%	0.104	33%	0.33	C	S	.	.	H	α-helix	trans	-63.7	-45.9	174.6	-68.6	0	0	0	0	111.1	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 PolarHBondContact OH-OG1 3.42Å; I148-T167 HydrophobicContact CD1-CG2 4.08Å; A164-T167 WeakPolarHBondContact O-CB 3.32Å; A164-T167 PolarHBondContact O-N 3.41Å; T167-R169 PolarHBondContact O-N 2.04Å; T167-K170 WeakPolarHBondContact O-CB 3.43Å; T167-K170 PolarHBondContact O-N 3.25Å; T167-K170 VanDerWaalsContact O-N 3.09Å; T167-W171 HydrophobicContact CG2-CD2 3.65Å; T167-W171 VanDerWaalsContact CG2-CE2 3.47Å; T167-W171 HydrophobicContact CG2-CE3 4.1Å; T167-W171 HydrophobicContact CG2-CG 4.07Å; T167-W171 HydrophobicContact CG2-CH2 4.18Å; T167-W171 HydrophobicContact CG2-CZ2 3.77Å; T167-W171 HydrophobicContact CG2-CZ3 4.34Å; T167-W171 PolarHBondContact O-N 3.03Å
168	Q	98.7	Very high	98.4	Very high	40 Å²	40	67 Å²	67	19%	0.187	35%	0.354	C	S	.	.	H	α-helix	trans	-51.5	-53.5	178	177.5	174.6	17.3	0	0	111.8	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.88Å; W157-Q168 HydrophobicContact CB-CG 4.19Å; W157-Q168 PolarHBondContact O-NE2 3.38Å; A159-Q168 HydrophobicContact CB-CB 4.4Å; A164-Q168 PolarHBondContact O-N 3.48Å; Q168-K170 VanDerWaalsContact C-N 3.27Å; Q168-K170 PolarHBondContact O-N 2.84Å; Q168-W171 PolarHBondContact O-N 3.22Å; Q168-W171 VanDerWaalsContact O-N 3.15Å; Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.14Å; Q168-E172 PolarHBondContact NE2-OE1 3.12Å; Q168-E172 WeakPolarHBondContact O-CB 3.35Å; Q168-E172 WeakPolarHBondContact O-CG 3.44Å; Q168-E172 PolarHBondContact O-N 2.76Å
169	R	98.7	Very high	98.2	Very high	155 Å²	155	69.1 Å²	69.1	59%	0.585	36%	0.358	S	S	*	.	H	α-helix	trans	-59.3	-37.8	180	-68.9	170.9	-165.9	148.9	8.8	112.6	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.45Å; Q165-R169 PolarHBondContact O-N 2.84Å; Q165-R169 VanDerWaalsContact O-N 3.13Å; T167-R169 PolarHBondContact O-N 2.04Å; R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.46Å; R169-A173 PolarHBondContact O-N 2.86Å
170	K	98.3	Very high	98.2	Very high	108 Å²	108	70.5 Å²	70.5	47%	0.47	36%	0.358	S	S	.	.	H	α-helix	trans	-67.3	-44.5	177.2	-71.9	176.6	176.7	-174.6	0	111.5	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 2.74Å; I166-K170 WeakPolarHBondContact O-CG 3.46Å; I166-K170 PolarHBondContact O-N 2.9Å; T167-K170 WeakPolarHBondContact O-CB 3.43Å; T167-K170 PolarHBondContact O-N 3.25Å; T167-K170 VanDerWaalsContact O-N 3.09Å; Q168-K170 VanDerWaalsContact C-N 3.27Å; Q168-K170 PolarHBondContact O-N 2.84Å; K170-A173 PolarHBondContact O-N 3.07Å; K170-A174 WeakPolarHBondContact O-CB 3.19Å; K170-A174 PolarHBondContact O-N 2.81Å
171	W	98.3	Very high	98.2	Very high	53 Å²	53	71 Å²	71	20%	0.201	35%	0.348	C	S	.	.	H	α-helix	trans	-70.9	-36.1	-178.8	-74.7	5.5	0	0	0	112.6	Y140 I148 W157 T167 Q168 A174 R175 E176	Y140-W171 AromaticContact CD2-CH2 3.71Å; Y140-W171 HydrophobicContact CD2-CH2 3.71Å; Y140-W171 HydrophobicContact CD2-CZ3 4.21Å; Y140-W171 AromaticContact CE2-CH2 3.39Å; Y140-W171 HydrophobicContact CE2-CH2 3.39Å; Y140-W171 HydrophobicContact CE2-CZ2 4.39Å; Y140-W171 HydrophobicContact CE2-CZ3 4.03Å; Y140-W171 AromaticContact CZ-CH2 3.96Å; I148-W171 HydrophobicContact CD1-CE3 4.13Å; I148-W171 HydrophobicContact CD1-CZ3 4.34Å; I148-W171 HydrophobicContact CG2-CE3 4.47Å; I148-W171 HydrophobicContact CG2-CH2 3.99Å; I148-W171 HydrophobicContact CG2-CZ3 3.68Å; W157-W171 AromaticContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CZ3 4.46Å; W157-W171 AromaticContact CE2-CE3 3.79Å; W157-W171 AromaticContact CE3-CE3 3.82Å; W157-W171 HydrophobicContact CE3-CE3 3.82Å; W157-W171 AromaticContact CE3-CZ3 3.87Å; W157-W171 HydrophobicContact CE3-CZ3 3.87Å; W157-W171 AromaticContact CH2-CE3 3.44Å; W157-W171 HydrophobicContact CH2-CE3 3.44Å; W157-W171 VanDerWaalsContact CH2-CE3 3.44Å; W157-W171 AromaticContact CH2-CZ3 3.45Å; W157-W171 HydrophobicContact CH2-CZ3 3.45Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.45Å; W157-W171 HydrophobicContact CZ2-CD2 4.46Å; W157-W171 AromaticContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CZ3 4.08Å; W157-W171 AromaticContact CZ3-CE3 3.59Å; W157-W171 HydrophobicContact CZ3-CE3 3.59Å; W157-W171 AromaticContact CZ3-CZ3 3.34Å; W157-W171 HydrophobicContact CZ3-CZ3 3.34Å; T167-W171 HydrophobicContact CG2-CD2 3.65Å; T167-W171 VanDerWaalsContact CG2-CE2 3.47Å; T167-W171 HydrophobicContact CG2-CE3 4.1Å; T167-W171 HydrophobicContact CG2-CG 4.07Å; T167-W171 HydrophobicContact CG2-CH2 4.18Å; T167-W171 HydrophobicContact CG2-CZ2 3.77Å; T167-W171 HydrophobicContact CG2-CZ3 4.34Å; T167-W171 PolarHBondContact O-N 3.03Å; Q168-W171 PolarHBondContact O-N 3.22Å; Q168-W171 VanDerWaalsContact O-N 3.15Å; W171-A174 CarbonylContact O-C 3.59Å; W171-A174 PolarHBondContact O-N 2.99Å; W171-R175 WeakPolarHBondContact O-CA 2.94Å; W171-R175 PolarHBondContact O-N 2.85Å; W171-E176 HydrophobicContact CB-CB 3.95Å; W171-E176 HydrophobicContact CB-CG 3.87Å; W171-E176 HydrophobicContact CD2-CG 4.44Å; W171-E176 HydrophobicContact CG-CB 4.13Å; W171-E176 HydrophobicContact CG-CG 3.79Å; W171-E176 PolarHBondContact O-N 3.27Å
172	E	98.5	Very high	98.2	Very high	96 Å²	96	71.6 Å²	71.6	45%	0.449	36%	0.359	S	S	.	.	H	α-helix	trans	-64	-46.2	171.2	-73	170.7	174.9	0	0	111.1	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.14Å; Q168-E172 PolarHBondContact NE2-OE1 3.12Å; Q168-E172 WeakPolarHBondContact O-CB 3.35Å; Q168-E172 WeakPolarHBondContact O-CG 3.44Å; Q168-E172 PolarHBondContact O-N 2.76Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.14Å; E172-R175 PolarHBondContact O-N 3.37Å; E172-R175 VanDerWaalsContact O-N 3.12Å
173	A	98.4	Very high	98.2	Very high	88 Å²	88	69.2 Å²	69.2	73%	0.727	34%	0.339	S	S	*	.	H	α-helix	trans	-62.4	-35.3	176.5	0	0	0	0	0	112.8	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.46Å; R169-A173 PolarHBondContact O-N 2.86Å; K170-A173 PolarHBondContact O-N 3.07Å
174	A	98	Very high	98.2	Very high	53 Å²	53	69 Å²	69	44%	0.438	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-3.2	176.9	0	0	0	0	0	114	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.19Å; K170-A174 PolarHBondContact O-N 2.81Å; W171-A174 CarbonylContact O-C 3.59Å; W171-A174 PolarHBondContact O-N 2.99Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.14Å; A174-E176 VanDerWaalsContact C-N 3.26Å; A174-E176 HydrophobicContact CB-CG 4.08Å; A174-E176 PolarHBondContact O-N 3.38Å
175	R	97.7	Very high	98.2	Very high	158 Å²	158	73.3 Å²	73.3	60%	0.596	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	38.5	-176.6	-55.5	-179.4	174.9	-155.1	3.8	113.9	W171 E172 A177 E178	W171-R175 WeakPolarHBondContact O-CA 2.94Å; W171-R175 PolarHBondContact O-N 2.85Å; E172-R175 PolarHBondContact O-N 3.37Å; E172-R175 VanDerWaalsContact O-N 3.12Å; R175-A177 PolarHBondContact O-N 3.04Å; R175-E178 HydrophobicContact CB-CG 4.23Å; R175-E178 WeakPolarHBondContact CD-OE1 3.3Å; R175-E178 IonicContact NH1-OE1 3.06Å; R175-E178 PolarHBondContact NH1-OE1 2.91Å; R175-E178 WeakPolarHBondContact O-CB 3.34Å; R175-E178 PolarHBondContact O-N 3.37Å
176	E	97.6	Very high	98.1	Very high	49 Å²	49	70.9 Å²	70.9	23%	0.229	35%	0.351	C	S	.	.	H	α-helix	trans	-57.7	-33.7	-178.3	-68.9	-69.3	170.8	0	0	112.5	W157 W171 A174 E178 Q179 R180	W157-E176 HydrophobicContact CZ2-CB 4.26Å; W171-E176 HydrophobicContact CB-CB 3.95Å; W171-E176 HydrophobicContact CB-CG 3.87Å; W171-E176 HydrophobicContact CD2-CG 4.44Å; W171-E176 HydrophobicContact CG-CB 4.13Å; W171-E176 HydrophobicContact CG-CG 3.79Å; W171-E176 PolarHBondContact O-N 3.27Å; A174-E176 VanDerWaalsContact C-N 3.26Å; A174-E176 HydrophobicContact CB-CG 4.08Å; A174-E176 PolarHBondContact O-N 3.38Å; E176-E178 PolarHBondContact O-N 3.15Å; E176-Q179 PolarHBondContact O-N 3.09Å; E176-Q179 VanDerWaalsContact O-N 3.11Å; E176-R180 WeakPolarHBondContact O-CG 3.36Å; E176-R180 PolarHBondContact O-N 2.82Å
177	A	98.3	Very high	98.1	Very high	9 Å²	9	70.5 Å²	70.5	7%	0.074	35%	0.352	C	S	.	.	H	α-helix	trans	-58.3	-34.7	177.3	0	0	0	0	0	112.7	L150 R155 W157 R175 Q179 R180 R181	L150-A177 HydrophobicContact CD1-CB 3.97Å; R155-A177 WeakPolarHBondContact O-CB 3.31Å; W157-A177 HydrophobicContact CZ2-CB 4.29Å; R175-A177 PolarHBondContact O-N 3.04Å; A177-Q179 PolarHBondContact O-N 3.16Å; A177-R180 PolarHBondContact O-N 3.27Å; A177-R181 WeakPolarHBondContact O-CB 3.45Å; A177-R181 PolarHBondContact O-N 3.13Å
178	E	98	Very high	98.1	Very high	116 Å²	116	69.7 Å²	69.7	54%	0.542	35%	0.347	S	S	.	.	H	α-helix	trans	-64.6	-40.7	177.7	-64.2	178.7	-177.8	0	0	111.3	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.23Å; R175-E178 WeakPolarHBondContact CD-OE1 3.3Å; R175-E178 IonicContact NH1-OE1 3.06Å; R175-E178 PolarHBondContact NH1-OE1 2.91Å; R175-E178 WeakPolarHBondContact O-CB 3.34Å; R175-E178 PolarHBondContact O-N 3.37Å; E176-E178 PolarHBondContact O-N 3.15Å; E178-A182 WeakPolarHBondContact O-CB 3.47Å; E178-A182 PolarHBondContact O-N 3.27Å
179	Q	96.5	Very high	98.1	Very high	124 Å²	124	68.1 Å²	68.1	58%	0.579	34%	0.34	S	S	*	.	H	α-helix	trans	-69.3	-43.5	177.3	-60.9	-174.1	20.6	0	0	111.7	E176 A177 A182 Y183	E176-Q179 PolarHBondContact O-N 3.09Å; E176-Q179 VanDerWaalsContact O-N 3.11Å; A177-Q179 PolarHBondContact O-N 3.16Å; Q179-A182 PolarHBondContact O-N 3.05Å; Q179-Y183 PolarHBondContact O-N 2.88Å; Q179-Y183 VanDerWaalsContact O-N 3.07Å
180	R	97.8	Very high	98	Very high	53 Å²	53	66.7 Å²	66.7	20%	0.2	34%	0.34	C	S	.	.	H	α-helix	trans	-62.8	-44.9	176.9	-61.9	-45.7	-178.2	161.7	2.9	111.3	D138 L150 W157 E176 A177 A182 Y183 L184	D138-R180 WeakPolarHBondContact OD2-CD 3.32Å; D138-R180 WeakPolarHBondContact OD2-CG 3.42Å; D138-R180 IonicContact OD2-CZ 2.88Å; D138-R180 IonicContact OD2-NE 3.27Å; D138-R180 PolarHBondContact OD2-NE 2.9Å; D138-R180 IonicContact OD2-NH1 3.63Å; L150-R180 HydrophobicContact CD2-CB 4.03Å; W157-R180 HydrophobicContact CH2-CG 4.3Å; E176-R180 WeakPolarHBondContact O-CG 3.36Å; E176-R180 PolarHBondContact O-N 2.82Å; A177-R180 PolarHBondContact O-N 3.27Å; R180-A182 PolarHBondContact O-N 3.31Å; R180-Y183 PolarHBondContact O-N 3.41Å; R180-L184 WeakPolarHBondContact O-CB 3.47Å; R180-L184 VanDerWaalsContact O-CG 3.23Å; R180-L184 WeakPolarHBondContact O-CG 3.35Å; R180-L184 PolarHBondContact O-N 2.88Å
181	R	98.3	Very high	98	Very high	72 Å²	72	63.6 Å²	63.6	27%	0.272	33%	0.326	S	S	.	.	H	α-helix	trans	-58.9	-46	174.9	-175	172.9	179.9	-137.2	-15	112.3	L154 R155 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.85Å; L154-R181 HydrophobicContact CD1-CG 4.22Å; R155-R181 VanDerWaalsContact NH2-NH1 3.11Å; A177-R181 WeakPolarHBondContact O-CB 3.45Å; A177-R181 PolarHBondContact O-N 3.13Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 2.62Å; R181-L184 PolarHBondContact O-N 2.98Å; R181-E185 HydrophobicContact CG-CG 4.08Å; R181-E185 IonicContact CZ-OE1 3.91Å; R181-E185 VanDerWaalsContact CZ-OE1 3.27Å; R181-E185 IonicContact CZ-OE2 2.73Å; R181-E185 VanDerWaalsContact NE-CD 3.32Å; R181-E185 IonicContact NE-OE1 3.08Å; R181-E185 PolarHBondContact NE-OE1 3.22Å; R181-E185 IonicContact NE-OE2 3.8Å; R181-E185 PolarHBondContact NE-OE2 2.87Å; R181-E185 IonicContact NH2-OE1 3.68Å; R181-E185 PolarHBondContact NH2-OE1 3.05Å; R181-E185 IonicContact NH2-OE2 3.68Å; R181-E185 PolarHBondContact NH2-OE2 3.33Å; R181-E185 WeakPolarHBondContact O-CB 3.41Å; R181-E185 PolarHBondContact O-N 2.99Å
182	A	98.3	Very high	98	Very high	64 Å²	64	61.1 Å²	61.1	53%	0.529	32%	0.316	S	S	.	.	H	α-helix	trans	-60.5	-39.6	177.8	0	0	0	0	0	112.7	E178 Q179 R180 G186	E178-A182 WeakPolarHBondContact O-CB 3.47Å; E178-A182 PolarHBondContact O-N 3.27Å; Q179-A182 PolarHBondContact O-N 3.05Å; R180-A182 PolarHBondContact O-N 3.31Å; A182-G186 PolarHBondContact O-N 2.84Å; A182-G186 VanDerWaalsContact O-N 3.13Å
183	Y	97.9	Very high	97.9	Very high	61 Å²	61	62.3 Å²	62.3	24%	0.239	32%	0.317	C	S	.	.	I	π-helix	trans	-65.7	-47.3	173.4	169.2	-100	0	0	0	112.1	Q179 R180 R181 T187 C188	Q179-Y183 PolarHBondContact O-N 2.88Å; Q179-Y183 VanDerWaalsContact O-N 3.07Å; R180-Y183 PolarHBondContact O-N 3.41Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 2.62Å; Y183-T187 HydrophobicContact CD2-CG2 3.91Å; Y183-T187 HydrophobicContact CE2-CG2 3.79Å; Y183-T187 PolarHBondContact O-N 3.06Å; Y183-T187 VanDerWaalsContact O-N 3.09Å; Y183-C188 HydrophobicContact CE1-CB 4.08Å; Y183-C188 WeakPolarHBondContact O-CB 3.4Å; Y183-C188 PolarHBondContact O-N 3.49Å
184	L	98.4	Very high	97.9	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	30%	0.303	C	S	.	.	I	π-helix	trans	-69.3	-40.5	-175.1	-69.7	171.7	0	0	0	112.8	G124 L150 L154 R180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.38Å; L150-L184 HydrophobicContact CD2-CD1 3.97Å; L154-L184 HydrophobicContact CD2-CD1 3.94Å; R180-L184 WeakPolarHBondContact O-CB 3.47Å; R180-L184 VanDerWaalsContact O-CG 3.23Å; R180-L184 WeakPolarHBondContact O-CG 3.35Å; R180-L184 PolarHBondContact O-N 2.88Å; R181-L184 PolarHBondContact O-N 2.98Å; L184-V189 WeakPolarHBondContact O-CG2 3.49Å
185	E	98.1	Very high	97.8	Very high	90 Å²	90	61.3 Å²	61.3	42%	0.421	28%	0.283	S	S	.	.	I	π-helix	trans	-79.2	-24.4	178.1	-69	-178.9	166.4	0	0	113.1	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.41Å; L133-E185 HydrophobicContact CD2-CG 3.7Å; L154-E185 HydrophobicContact CD1-CG 4.19Å; R181-E185 HydrophobicContact CG-CG 4.08Å; R181-E185 IonicContact CZ-OE1 3.91Å; R181-E185 VanDerWaalsContact CZ-OE1 3.27Å; R181-E185 IonicContact CZ-OE2 2.73Å; R181-E185 VanDerWaalsContact NE-CD 3.32Å; R181-E185 IonicContact NE-OE1 3.08Å; R181-E185 PolarHBondContact NE-OE1 3.22Å; R181-E185 IonicContact NE-OE2 3.8Å; R181-E185 PolarHBondContact NE-OE2 2.87Å; R181-E185 IonicContact NH2-OE1 3.68Å; R181-E185 PolarHBondContact NH2-OE1 3.05Å; R181-E185 IonicContact NH2-OE2 3.68Å; R181-E185 PolarHBondContact NH2-OE2 3.33Å; R181-E185 WeakPolarHBondContact O-CB 3.41Å; R181-E185 PolarHBondContact O-N 2.99Å
186	G	97.9	Very high	97.8	Very high	23 Å²	23	54.5 Å²	54.5	24%	0.237	26%	0.258	C	S	.	.	I	π-helix	trans	-108.5	-89.2	-177.9	0	0	0	0	0	112.5	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.84Å; A182-G186 VanDerWaalsContact O-N 3.13Å; G186-C188 VanDerWaalsContact C-N 3.33Å; G186-C188 PolarHBondContact O-N 2.85Å; G186-V189 PolarHBondContact O-N 3.33Å; G186-V189 VanDerWaalsContact O-N 3.14Å; G186-E190 WeakPolarHBondContact O-CG 3.25Å; G186-E190 PolarHBondContact O-N 2.82Å
187	T	97.8	Very high	97.7	Very high	51 Å²	51	58.1 Å²	58.1	31%	0.313	28%	0.275	S	S	.	.	I	π-helix	trans	-53.9	-44.8	-171	-56.9	0	0	0	0	113.1	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.91Å; Y183-T187 HydrophobicContact CE2-CG2 3.79Å; Y183-T187 PolarHBondContact O-N 3.06Å; Y183-T187 VanDerWaalsContact O-N 3.09Å; T187-V189 PolarHBondContact O-N 3.23Å; T187-E190 PolarHBondContact O-N 3.24Å; T187-W191 VanDerWaalsContact CG2-CD1 3.47Å; T187-W191 WeakPolarHBondContact O-CB 3.47Å; T187-W191 PolarHBondContact O-N 2.98Å
188	C	98.3	Very high	97.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.285	C	S	.	.	I	π-helix	trans	-60.3	-48	-179.6	-170.8	0	0	0	0	111.6	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.23Å; M29-C188 WeakPolarHBondContact CE-O 3.25Å; M29-C188 VanDerWaalsContact CE-SG 3.55Å; C125-C188 HydrophobicContact CB-CB 3.92Å; C125-C188 WeakPolarHBondContact CB-SG 3.49Å; C125-C188 PolarHBondContact N-SG 3.18Å; C125-C188 WeakPolarHBondContact SG-CB 3.33Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.88Å; Y183-C188 HydrophobicContact CE1-CB 4.08Å; Y183-C188 WeakPolarHBondContact O-CB 3.4Å; Y183-C188 PolarHBondContact O-N 3.49Å; G186-C188 VanDerWaalsContact C-N 3.33Å; G186-C188 PolarHBondContact O-N 2.85Å; C188-W191 PolarHBondContact O-N 3.45Å; C188-L192 WeakPolarHBondContact O-CB 3.45Å; C188-L192 PolarHBondContact O-N 2.98Å
189	V	98.3	Very high	97.5	Very high	7 Å²	7	54.9 Å²	54.9	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-61.8	-46	178.3	176.2	0	0	0	0	111.3	L127 L133 L184 G186 T187 L192 R193	L127-V189 HydrophobicContact CD2-CB 4.21Å; L127-V189 HydrophobicContact CD2-CG1 3.82Å; L127-V189 HydrophobicContact CD2-CG2 3.85Å; L133-V189 HydrophobicContact CB-CG2 4.03Å; L133-V189 HydrophobicContact CD1-CG2 4.07Å; L184-V189 WeakPolarHBondContact O-CG2 3.49Å; G186-V189 PolarHBondContact O-N 3.33Å; G186-V189 VanDerWaalsContact O-N 3.14Å; T187-V189 PolarHBondContact O-N 3.23Å; V189-L192 PolarHBondContact O-N 3.13Å; V189-R193 VanDerWaalsContact CG1-CZ 3.43Å; V189-R193 WeakPolarHBondContact O-CG 3.44Å; V189-R193 PolarHBondContact O-N 3.09Å
190	E	98.1	Very high	97.3	Very high	125 Å²	125	54.1 Å²	54.1	58%	0.584	26%	0.256	S	S	*	.	H	α-helix	trans	-61.3	-46	179.9	-72	174.4	174.2	0	0	112.1	G186 T187 R194	G186-E190 WeakPolarHBondContact O-CG 3.25Å; G186-E190 PolarHBondContact O-N 2.82Å; T187-E190 PolarHBondContact O-N 3.24Å; E190-R194 PolarHBondContact O-N 3.14Å; E190-R194 VanDerWaalsContact O-N 3.1Å
191	W	98	Very high	97	Very high	44 Å²	44	60.1 Å²	60.1	17%	0.167	29%	0.286	C	S	.	.	H	α-helix	trans	-69.8	-41.2	179.5	-82.3	97.7	0	0	0	112.3	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 3.95Å; M29-W191 HydrophobicContact SD-CB 4.43Å; Y83-W191 AromaticContact CD2-CH2 3.49Å; Y83-W191 HydrophobicContact CD2-CH2 3.49Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.49Å; Y83-W191 HydrophobicContact CD2-CZ2 4.25Å; Y83-W191 AromaticContact CD2-CZ3 3.72Å; Y83-W191 HydrophobicContact CD2-CZ3 3.72Å; Y83-W191 HydrophobicContact CE2-CE3 4.2Å; Y83-W191 AromaticContact CE2-CH2 3.86Å; Y83-W191 HydrophobicContact CE2-CH2 3.86Å; Y83-W191 AromaticContact CE2-CZ3 3.66Å; Y83-W191 HydrophobicContact CE2-CZ3 3.66Å; T187-W191 VanDerWaalsContact CG2-CD1 3.47Å; T187-W191 WeakPolarHBondContact O-CB 3.47Å; T187-W191 PolarHBondContact O-N 2.98Å; C188-W191 PolarHBondContact O-N 3.45Å; W191-R193 VanDerWaalsContact C-N 3.35Å; W191-R193 PolarHBondContact O-N 3.39Å; W191-R194 WeakPolarHBondContact O-CB 3.47Å; W191-R194 PolarHBondContact O-N 3.41Å; W191-Y195 HydrophobicContact CB-CE2 4.06Å; W191-Y195 HydrophobicContact CE3-CD1 4.4Å; W191-Y195 AromaticContact CE3-CE1 3.51Å; W191-Y195 HydrophobicContact CE3-CE1 3.51Å; W191-Y195 HydrophobicContact CE3-CE2 4.17Å; W191-Y195 AromaticContact CE3-CZ 3.36Å; W191-Y195 AromaticContact CZ3-CE1 3.87Å; W191-Y195 HydrophobicContact CZ3-CE1 3.87Å; W191-Y195 VanDerWaalsContact O-CD2 3.26Å; W191-Y195 WeakPolarHBondContact O-CD2 3.46Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 3.36Å
192	L	98.2	Very high	96.6	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.5	-44.6	176.1	174.7	50.4	0	0	0	111.2	H27 M29 V52 L127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.41Å; M29-L192 HydrophobicContact CB-CB 4.03Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 3.93Å; M29-L192 HydrophobicContact CB-CG 4.21Å; M29-L192 HydrophobicContact CE-CB 4.2Å; M29-L192 HydrophobicContact SD-CB 4.34Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.28Å; L127-L192 HydrophobicContact CB-CD2 4.48Å; L127-L192 HydrophobicContact CD1-CB 4.23Å; L127-L192 HydrophobicContact CD1-CD2 3.67Å; L127-L192 HydrophobicContact CD1-CG 3.73Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.22Å; C188-L192 WeakPolarHBondContact O-CB 3.45Å; C188-L192 PolarHBondContact O-N 2.98Å; V189-L192 PolarHBondContact O-N 3.13Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.05Å; L192-Y195 PolarHBondContact O-N 3.44Å; L192-L196 HydrophobicContact CD1-CD1 3.81Å; L192-L196 HydrophobicContact CD1-CD2 4.34Å; L192-L196 HydrophobicContact CD1-CG 3.8Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.12Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 3.1Å
193	R	96.9	Very high	96.3	Very high	121 Å²	121	55.8 Å²	55.8	46%	0.457	26%	0.261	S	S	.	.	H	α-helix	trans	-59.2	-43.7	174.1	-71.9	176	-174.5	156.9	-0.8	112.5	L127 G131 V189 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.96Å; G131-R193 VanDerWaalsContact O-CZ 3.27Å; G131-R193 PolarHBondContact O-NE 3.4Å; G131-R193 PolarHBondContact O-NH2 3.18Å; V189-R193 VanDerWaalsContact CG1-CZ 3.43Å; V189-R193 WeakPolarHBondContact O-CG 3.44Å; V189-R193 PolarHBondContact O-N 3.09Å; W191-R193 VanDerWaalsContact C-N 3.35Å; W191-R193 PolarHBondContact O-N 3.39Å; R193-L196 PolarHBondContact O-N 3.5Å; R193-E197 PolarHBondContact O-N 3.04Å
194	R	97.1	Very high	95.9	Very high	120 Å²	120	57 Å²	57	45%	0.453	27%	0.269	S	S	.	.	H	α-helix	trans	-61.1	-44.3	176.5	178.6	-179.9	174.6	117.6	-5.1	111.6	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.74Å; E79-R194 IonicContact OE1-NE 2.77Å; E79-R194 PolarHBondContact OE1-NE 3.45Å; E79-R194 IonicContact OE1-NH2 3.12Å; E79-R194 PolarHBondContact OE1-NH2 3.35Å; E79-R194 IonicContact OE2-CZ 3.77Å; E79-R194 IonicContact OE2-NE 3.35Å; E79-R194 IonicContact OE2-NH2 3.16Å; E79-R194 PolarHBondContact OE2-NH2 3.4Å; E190-R194 PolarHBondContact O-N 3.14Å; E190-R194 VanDerWaalsContact O-N 3.1Å; W191-R194 WeakPolarHBondContact O-CB 3.47Å; W191-R194 PolarHBondContact O-N 3.41Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.05Å; R194-E197 PolarHBondContact O-N 3.11Å; R194-N198 VanDerWaalsContact O-CB 3.27Å; R194-N198 WeakPolarHBondContact O-CB 3.46Å; R194-N198 PolarHBondContact O-N 3.07Å; R194-N198 PolarHBondContact O-OD1 2.94Å
195	Y	97.4	Very high	95.5	Very high	1 Å²	1	61.1 Å²	61.1	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-67.6	-39	178.8	-62.6	-31.8	0	0	0	112.6	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.64Å; M29-Y195 HydrophobicContact SD-CE2 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å; V52-Y195 HydrophobicContact CG2-CD2 3.98Å; V52-Y195 HydrophobicContact CG2-CG 4.45Å; F57-Y195 HydrophobicContact CD2-CE2 4.41Å; F57-Y195 HydrophobicContact CE2-CD2 4.21Å; F57-Y195 AromaticContact CE2-CE2 3.56Å; F57-Y195 HydrophobicContact CE2-CE2 3.56Å; F57-Y195 AromaticContact CE2-CZ 3.75Å; F57-Y195 HydrophobicContact CZ-CD2 4.25Å; F57-Y195 AromaticContact CZ-CE2 3.71Å; F57-Y195 HydrophobicContact CZ-CE2 3.71Å; W75-Y195 HydrophobicContact CE3-CD1 4.24Å; W75-Y195 HydrophobicContact CE3-CG 4.49Å; W75-Y195 HydrophobicContact CH2-CD1 4.5Å; W75-Y195 HydrophobicContact CH2-CG 4.11Å; W75-Y195 AromaticContact CZ3-CD1 3.56Å; W75-Y195 HydrophobicContact CZ3-CD1 3.56Å; W75-Y195 HydrophobicContact CZ3-CD2 4.3Å; W75-Y195 HydrophobicContact CZ3-CE1 4.28Å; W75-Y195 AromaticContact CZ3-CG 3.57Å; W75-Y195 HydrophobicContact CZ3-CG 3.57Å; V76-Y195 HydrophobicContact CG2-CE1 4.37Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.23Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.25Å; Y83-Y195 PolarHBondContact OH-OH 3.17Å; W191-Y195 HydrophobicContact CB-CE2 4.06Å; W191-Y195 HydrophobicContact CE3-CD1 4.4Å; W191-Y195 AromaticContact CE3-CE1 3.51Å; W191-Y195 HydrophobicContact CE3-CE1 3.51Å; W191-Y195 HydrophobicContact CE3-CE2 4.17Å; W191-Y195 AromaticContact CE3-CZ 3.36Å; W191-Y195 AromaticContact CZ3-CE1 3.87Å; W191-Y195 HydrophobicContact CZ3-CE1 3.87Å; W191-Y195 VanDerWaalsContact O-CD2 3.26Å; W191-Y195 WeakPolarHBondContact O-CD2 3.46Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 3.36Å; L192-Y195 PolarHBondContact O-N 3.44Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 3Å; Y195-N198 PolarHBondContact O-N 3.46Å; Y195-G199 WeakPolarHBondContact O-CA 3.36Å; Y195-G199 PolarHBondContact O-N 3.12Å; Y195-L203 WeakPolarHBondContact O-CD1 3.5Å
196	L	96	Very high	95.2	Very high	14 Å²	14	58.7 Å²	58.7	7%	0.073	28%	0.28	C	S	.	.	H	α-helix	trans	-63	-36.2	174.5	-71.4	169.7	0	0	0	112.4	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 3.96Å; H27-L196 HydrophobicContact CB-CG 4.39Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.44Å; V52-L196 HydrophobicContact CG1-CD2 4.07Å; L192-L196 HydrophobicContact CD1-CD1 3.81Å; L192-L196 HydrophobicContact CD1-CD2 4.34Å; L192-L196 HydrophobicContact CD1-CG 3.8Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.12Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 3.1Å; R193-L196 PolarHBondContact O-N 3.5Å; L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.41Å; L196-K200 WeakPolarHBondContact O-CB 3.23Å; L196-K200 PolarHBondContact O-N 3.01Å; L196-K200 VanDerWaalsContact O-N 3.12Å; L196-L203 HydrophobicContact CD2-CB 4.15Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; L196-Q204 PolarHBondContact O-NE2 2.86Å
197	E	95.8	Very high	95.1	Very high	126 Å²	126	60.7 Å²	60.7	59%	0.589	28%	0.283	S	S	*	.	H	α-helix	trans	-71.4	-48.9	174.3	-171.9	59.9	-152.4	0	0	111.1	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.04Å; R194-E197 PolarHBondContact O-N 3.11Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 3Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 2.89Å; E197-K200 WeakPolarHBondContact O-CB 3.35Å; E197-K200 PolarHBondContact O-N 3.24Å
198	N	96.5	Very high	94.9	Very high	53 Å²	53	62.9 Å²	62.9	28%	0.283	29%	0.289	S	S	.	.	H	α-helix	trans	-59.7	-39	179	-77.6	0.9	0	0	0	113.1	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.5Å; W75-N198 WeakPolarHBondContact CB-O 3.46Å; Q78-N198 PolarHBondContact NE2-ND2 3.35Å; E79-N198 PolarHBondContact OE1-ND2 2.84Å; R194-N198 VanDerWaalsContact O-CB 3.27Å; R194-N198 WeakPolarHBondContact O-CB 3.46Å; R194-N198 PolarHBondContact O-N 3.07Å; R194-N198 PolarHBondContact O-OD1 2.94Å; Y195-N198 PolarHBondContact O-N 3.46Å
199	G	95.4	Very high	94.9	Very high	3 Å²	3	63.3 Å²	63.3	3%	0.031	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	18.7	-175.3	0	0	0	0	0	113.8	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.36Å; Y195-G199 PolarHBondContact O-N 3.12Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 2.89Å; G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 3.47Å; G199-E201 VanDerWaalsContact O-N 3.15Å; G199-T202 CarbonylContact O-C 3.58Å; G199-T202 WeakPolarHBondContact O-CA 3.22Å; G199-T202 PolarHBondContact O-N 3.34Å; G199-T202 PolarHBondContact O-OG1 2.89Å; G199-L203 WeakPolarHBondContact O-CB 3.45Å; G199-L203 PolarHBondContact O-N 2.79Å
200	K	93.4	Very high	94.9	Very high	109 Å²	109	70.3 Å²	70.3	47%	0.474	32%	0.322	S	S	.	.	H	α-helix	trans	-48.6	-44.7	-171.3	-178.3	171	-176	173.9	0	114.2	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.41Å; L196-K200 WeakPolarHBondContact O-CB 3.23Å; L196-K200 PolarHBondContact O-N 3.01Å; L196-K200 VanDerWaalsContact O-N 3.12Å; E197-K200 WeakPolarHBondContact O-CB 3.35Å; E197-K200 PolarHBondContact O-N 3.24Å; K200-T202 PolarHBondContact O-N 3.23Å; K200-Q204 WeakPolarHBondContact O-CB 3.34Å; K200-Q204 PolarHBondContact O-N 2.8Å; K200-Q204 VanDerWaalsContact O-N 3.14Å
201	E	90.9	Very high	94.9	Very high	178 Å²	178	66 Å²	66	83%	0.832	30%	0.304	S	S	*	.	H	α-helix	trans	-64.4	-25.6	179.8	-62.8	-175.3	167.2	0	0	113.6	G199	G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 3.47Å; G199-E201 VanDerWaalsContact O-N 3.15Å
202	T	90.5	Very high	94.9	Very high	42 Å²	42	67.7 Å²	67.7	26%	0.258	31%	0.313	S	S	.	.	H	α-helix	trans	-103.8	-35.2	-177.7	52	0	0	0	0	114	W75 G199 K200 R205	W75-T202 VanDerWaalsContact CD1-OG1 3.23Å; G199-T202 CarbonylContact O-C 3.58Å; G199-T202 WeakPolarHBondContact O-CA 3.22Å; G199-T202 PolarHBondContact O-N 3.34Å; G199-T202 PolarHBondContact O-OG1 2.89Å; K200-T202 PolarHBondContact O-N 3.23Å; T202-R205 WeakPolarHBondContact O-CG 3.48Å; T202-R205 PolarHBondContact O-NE 2.87Å
203	L	91.7	Very high	94.9	Very high	4 Å²	4	68.8 Å²	68.8	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-92.9	-30.9	-172.3	-64.3	172.6	0	0	0	112.3	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.28Å; V52-L203 HydrophobicContact CB-CD2 4.14Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.08Å; T55-L203 HydrophobicContact CG2-CD2 4.1Å; W75-L203 HydrophobicContact CD2-CD1 4.45Å; W75-L203 HydrophobicContact CH2-CD1 4.39Å; W75-L203 HydrophobicContact CZ2-CD1 3.85Å; W75-L203 HydrophobicContact CZ2-CD2 4.13Å; W75-L203 HydrophobicContact CZ2-CG 4.4Å; Y195-L203 WeakPolarHBondContact O-CD1 3.5Å; L196-L203 HydrophobicContact CD2-CB 4.15Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; G199-L203 WeakPolarHBondContact O-CB 3.45Å; G199-L203 PolarHBondContact O-N 2.79Å
204	Q	89.2	Confident	94.8	Very high	86 Å²	86	64.7 Å²	64.7	40%	0.402	31%	0.308	S	S	.	.	S	Bend	trans	-102.3	21.7	178.9	-57.1	178.1	32	0	0	111.8	L196 K200	L196-Q204 PolarHBondContact O-NE2 2.86Å; K200-Q204 WeakPolarHBondContact O-CB 3.34Å; K200-Q204 PolarHBondContact O-N 2.8Å; K200-Q204 VanDerWaalsContact O-N 3.14Å
205	R	90.2	Very high	94.8	Very high	87 Å²	87	61.6 Å²	61.6	33%	0.328	30%	0.299	S	S	.	.			trans	-94.3	147.9	170.9	77.3	-172.7	176.6	-173.4	10.1	109.1	T202 E207 Y233	T202-R205 WeakPolarHBondContact O-CG 3.48Å; T202-R205 PolarHBondContact O-NE 2.87Å; R205-E207 IonicContact CZ-OE1 3.68Å; R205-E207 IonicContact NE-OE1 3.4Å; R205-E207 PolarHBondContact NE-OE1 2.87Å; R205-E207 VanDerWaalsContact NE-OE1 3.16Å; R205-E207 IonicContact NH1-OE1 3.84Å; R205-E207 IonicContact NH2-OE1 3.74Å; R205-E207 PolarHBondContact NH2-OE1 3.15Å; R205-Y233 HydrophobicContact CG-CD1 4.2Å; R205-Y233 VanDerWaalsContact O-CD1 3.32Å; R205-Y233 WeakPolarHBondContact O-CD1 3.15Å
206	A	92.3	Very high	94.6	Very high	39 Å²	39	65.1 Å²	65.1	32%	0.322	32%	0.315	S	S	.	.			trans	-119.2	122.1	164.5	0	0	0	0	0	108.7	Y233	A206-Y233 CarbonylContact C-O 3.56Å; A206-Y233 WeakPolarHBondContact CA-O 3.42Å
207	E	94.4	Very high	94.5	Very high	65 Å²	65	69.1 Å²	69.1	30%	0.304	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-99.4	118.4	174.6	-67.7	-173.6	-141.3	0	0	108.6	R205 F232 Y233 H287	R205-E207 IonicContact CZ-OE1 3.68Å; R205-E207 IonicContact NE-OE1 3.4Å; R205-E207 PolarHBondContact NE-OE1 2.87Å; R205-E207 VanDerWaalsContact NE-OE1 3.16Å; R205-E207 IonicContact NH1-OE1 3.84Å; R205-E207 IonicContact NH2-OE1 3.74Å; R205-E207 PolarHBondContact NH2-OE1 3.15Å; E207-F232 WeakPolarHBondContact O-CA 3.47Å; E207-F232 WeakPolarHBondContact O-CB 3.26Å; E207-Y233 PolarHBondContact N-O 2.93Å; E207-Y233 PolarHBondContact O-N 3.27Å; E207-Y233 VanDerWaalsContact O-N 3.08Å; E207-H287 PolarHBondContact O-CE1 3.28Å
208	H	95.4	Very high	94.3	Very high	97 Å²	97	67.3 Å²	67.3	45%	0.449	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-68.1	145.1	-178	-50.6	-102	0	0	0	111.9	K210 G289 L290	H208-K210 PolarHBondContact O-N 2.96Å; H208-G289 PolarHBondContact CE1-O 3.43Å; H208-G289 PolarHBondContact ND1-O 2.9Å; H208-L290 HydrophobicContact CB-CD2 4.1Å; H208-L290 WeakPolarHBondContact ND1-CA 3.37Å; H208-L290 PolarHBondContact ND1-N 2.75Å
209	P	97.8	Very high	94.1	Very high	8 Å²	8	67.2 Å²	67.2	5%	0.052	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-67.9	131.4	176.5	28.3	-34.8	0	0	0	111.8	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.93Å; P209-T211 HydrophobicContact CG-CG2 4.14Å; P209-T211 PolarHBondContact O-N 3.42Å; P209-A229 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CD1 3.93Å; P209-F232 HydrophobicContact CB-CG 4.17Å; P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; P209-V285 HydrophobicContact CG-CG1 3.95Å; P209-H287 HydrophobicContact CG-CB 4.04Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.44Å; P209-L290 HydrophobicContact CG-CG 4.21Å
210	K	98	Very high	93.8	Very high	155 Å²	155	74.1 Å²	74.1	67%	0.674	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	110.5	163.6	-64.5	172.9	-172.2	166.4	0	108.1	H208 L230	H208-K210 PolarHBondContact O-N 2.96Å; K210-L230 PolarHBondContact N-O 2.79Å; K210-L230 PolarHBondContact O-N 3.41Å
211	T	97.9	Very high	93.7	Very high	33 Å²	33	76 Å²	76	20%	0.202	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	143.5	-171.9	58.4	0	0	0	0	113.3	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.93Å; P209-T211 HydrophobicContact CG-CG2 4.14Å; P209-T211 PolarHBondContact O-N 3.42Å; T211-W228 WeakPolarHBondContact CA-O 3.14Å; T211-W228 WeakPolarHBondContact CB-O 3.41Å; T211-A229 HydrophobicContact CG2-CB 4.3Å; T211-V285 HydrophobicContact CG2-CB 4.44Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.06Å; T211-L294 HydrophobicContact CG2-CD1 4.28Å; T211-L296 VanDerWaalsContact CB-CD1 3.45Å; T211-L296 HydrophobicContact CG2-CD1 4.12Å
212	H	97.2	Very high	93.9	Very high	81 Å²	81	71.5 Å²	71.5	38%	0.375	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	159	171.6	62.9	-75.5	0	0	0	110.7	W228	H212-W228 AromaticContact CD2-CD1 3.98Å; H212-W228 VanDerWaalsContact CE1-CB 3.45Å; H212-W228 WeakPolarHBondContact CE1-CB 3.41Å; H212-W228 AromaticContact CE1-CD1 3.89Å; H212-W228 AromaticContact CE1-CG 3.69Å; H212-W228 PolarHBondContact N-O 3.45Å; H212-W228 AromaticContact NE2-CD1 3.46Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 3.07Å
213	V	98.1	Very high	94.2	Very high	23 Å²	23	69.6 Å²	69.6	14%	0.139	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	129.3	176.4	-179.1	0	0	0	0	109.5	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.39Å; V213-L225 HydrophobicContact CG1-CD2 4.36Å; V213-R226 WeakPolarHBondContact CA-O 3.47Å; V213-C227 HydrophobicContact CG2-CB 4.42Å; V213-W241 HydrophobicContact CG1-CH2 3.85Å; V213-W241 HydrophobicContact CG1-CZ2 4.33Å; V213-W241 HydrophobicContact CG2-CH2 4.25Å; V213-L296 HydrophobicContact CG2-CB 3.88Å; V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.81Å
214	T	96.6	Very high	94.4	Very high	34 Å²	34	70.7 Å²	70.7	21%	0.209	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	142.4	176.6	50.5	0	0	0	0	110	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 3.34Å; T214-H216 VanDerWaalsContact OG1-CE1 3.27Å; T214-L225 WeakPolarHBondContact O-CA 3.3Å; T214-R226 PolarHBondContact N-O 3.1Å; T214-R226 PolarHBondContact O-N 2.8Å; T214-R226 WeakPolarHBondContact OG1-CB 3.49Å; T214-R226 PolarHBondContact OG1-O 2.88Å; T214-R226 VanDerWaalsContact OG1-O 3.05Å; T214-W228 PolarHBondContact OG1-NE1 2.9Å; T214-W228 VanDerWaalsContact OG1-NE1 3.14Å
215	H	95.6	Very high	94.8	Very high	55 Å²	55	66.6 Å²	66.6	26%	0.255	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.3	-179	170.3	-96.1	0	0	0	109.8	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.48Å; H215-L225 HydrophobicContact CB-CD2 4.01Å; H215-E278 IonicContact NE2-OE1 3.43Å; H215-W298 HydrophobicContact CB-CD2 4.06Å; H215-W298 HydrophobicContact CB-CG 4.11Å; H215-W298 HydrophobicContact CB-CZ2 4Å; H215-W298 VanDerWaalsContact CB-NE1 3.26Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.8Å; H215-W298 AromaticContact ND1-CZ2 3.92Å
216	H	94.3	Very high	95.2	Very high	75 Å²	75	65.3 Å²	65.3	35%	0.347	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	103.6	-179.1	-54.5	80.1	0	0	0	109.1	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 3.34Å; T214-H216 VanDerWaalsContact OG1-CE1 3.27Å; H216-V218 PolarHBondContact O-N 2.94Å; H216-A223 CarbonylContact O-C 3.6Å; H216-A223 WeakPolarHBondContact O-CA 3.49Å; H216-T224 PolarHBondContact N-O 3.44Å; H216-T224 PolarHBondContact O-N 3.34Å; H216-R226 PolarHBondContact CE1-NH1 2.85Å; H216-R226 PolarHBondContact NE2-NH1 2.83Å
217	P	93.6	Very high	95.5	Very high	99 Å²	99	63.5 Å²	63.5	64%	0.643	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.5	132.7	172.6	-20.6	30.7	0	0	0	110.6
218	V	92.1	Very high	95.7	Very high	87 Å²	87	62.6 Å²	62.6	53%	0.527	32%	0.318	S	S	.	.			trans	-106.1	-42.2	175.5	-178.8	0	0	0	0	109.9	H216 E222	H216-V218 PolarHBondContact O-N 2.94Å; V218-E222 PolarHBondContact N-O 3.42Å
219	S	92.1	Very high	95.8	Very high	51 Å²	51	58 Å²	58	36%	0.357	30%	0.297	S	S	.	.	S	Bend	trans	-145.9	-178.8	174.2	73.3	0	0	0	0	110.1	H221 E222	S219-H221 PolarHBondContact O-N 3.39Å; S219-H221 PolarHBondContact OG-N 2.9Å; S219-E222 PolarHBondContact N-O 2.92Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 2.94Å
220	D	88.8	Confident	95.9	Very high	149 Å²	149	60.2 Å²	60.2	80%	0.797	31%	0.308	S	S	*	.	S	Bend	trans	-62.9	-20.5	173.2	-65.7	-23.3	0	0	0	112.6	S275	D220-S275 WeakPolarHBondContact O-CB 3.38Å; D220-S275 PolarHBondContact O-OG 3.09Å
221	H	92.1	Very high	95.8	Very high	148 Å²	148	53.7 Å²	53.7	69%	0.685	29%	0.285	S	S	*	.	S	Bend	trans	-107.5	-13.7	-174.9	-56.2	-50.3	0	0	0	114	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.39Å; S219-H221 PolarHBondContact OG-N 2.9Å; H221-P274 WeakPolarHBondContact O-CA 3.29Å; H221-S275 PolarHBondContact O-N 3.24Å; H221-S275 PolarHBondContact O-OG 2.84Å
222	E	94.6	Very high	95.8	Very high	84 Å²	84	52.1 Å²	52.1	39%	0.393	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	142.3	-171.6	-66.6	177.4	164.5	0	0	112.3	V218 S219 M272 V273 S275	V218-E222 PolarHBondContact N-O 3.42Å; S219-E222 PolarHBondContact N-O 2.92Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 2.94Å; E222-M272 HydrophobicContact CB-CG 4.46Å; E222-V273 WeakPolarHBondContact CA-O 3.14Å; E222-S275 PolarHBondContact N-OG 3.01Å
223	A	95.4	Very high	95.7	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	159.3	171.1	0	0	0	0	0	111	H215 H216 M272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.48Å; H216-A223 CarbonylContact O-C 3.6Å; H216-A223 WeakPolarHBondContact O-CA 3.49Å; A223-M272 WeakPolarHBondContact O-CA 3.39Å; A223-V273 HydrophobicContact CB-CG2 4.28Å; A223-V273 PolarHBondContact N-O 3.32Å; A223-V273 PolarHBondContact O-N 3.05Å
224	T	97.1	Very high	95.6	Very high	27 Å²	27	48.1 Å²	48.1	17%	0.166	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	120.2	169.1	-59.8	0	0	0	0	109.5	H216 A270 V271	H216-T224 PolarHBondContact N-O 3.44Å; H216-T224 PolarHBondContact O-N 3.34Å; T224-A270 HydrophobicContact CG2-CB 3.95Å; T224-V271 WeakPolarHBondContact CA-O 3.41Å
225	L	97.8	Very high	95.5	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	130.4	164.6	-63.7	-175.9	0	0	0	109.1	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.39Å; V213-L225 HydrophobicContact CG1-CD2 4.36Å; T214-L225 WeakPolarHBondContact O-CA 3.3Å; H215-L225 HydrophobicContact CB-CD2 4.01Å; L225-W241 HydrophobicContact CB-CH2 3.7Å; L225-W241 HydrophobicContact CB-CZ2 3.77Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 4.02Å; L225-W241 HydrophobicContact CD1-CZ3 4.18Å; L225-A270 CarbonylContact O-C 3.45Å; L225-A270 WeakPolarHBondContact O-CA 3.28Å; L225-V271 HydrophobicContact CB-CG1 4.22Å; L225-V271 PolarHBondContact N-O 2.98Å; L225-V271 PolarHBondContact O-N 2.74Å; L225-V273 HydrophobicContact CD1-CG1 4.03Å; L225-V273 HydrophobicContact CD1-CG2 4.16Å; L225-V273 HydrophobicContact CG-CG1 4.14Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; L225-E278 HydrophobicContact CD1-CB 4.12Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.36Å; L225-W298 HydrophobicContact CD1-CB 4.45Å; L225-W298 HydrophobicContact CD2-CB 3.83Å; L225-W298 HydrophobicContact CD2-CD2 4.42Å; L225-W298 HydrophobicContact CD2-CG 3.98Å
226	R	98.2	Very high	95.5	Very high	61 Å²	61	51.4 Å²	51.4	23%	0.23	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	115.9	175.8	-178.8	-174.8	-57.3	125.2	7.3	110.2	V213 T214 H216 W228 W268 A269 A270	V213-R226 WeakPolarHBondContact CA-O 3.47Å; T214-R226 PolarHBondContact N-O 3.1Å; T214-R226 PolarHBondContact O-N 2.8Å; T214-R226 WeakPolarHBondContact OG1-CB 3.49Å; T214-R226 PolarHBondContact OG1-O 2.88Å; T214-R226 VanDerWaalsContact OG1-O 3.05Å; H216-R226 PolarHBondContact CE1-NH1 2.85Å; H216-R226 PolarHBondContact NE2-NH1 2.83Å; R226-W228 HydrophobicContact CG-CZ2 4.46Å; R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.13Å; R226-W268 HydrophobicContact CG-CE3 3.92Å; R226-W268 HydrophobicContact CG-CG 4.22Å; R226-A269 WeakPolarHBondContact CA-O 3.2Å; R226-A270 HydrophobicContact CB-CB 4.03Å; R226-A270 HydrophobicContact CG-CB 4.14Å
227	C	98.3	Very high	95.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	123.7	174.6	-174.3	0	0	0	0	109.4	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.42Å; C227-W241 HydrophobicContact CB-CH2 4.44Å; C227-W241 HydrophobicContact CB-CZ2 3.62Å; C227-W268 CarbonylContact O-C 3.56Å; C227-W268 WeakPolarHBondContact O-CA 3.33Å; C227-W268 WeakPolarHBondContact O-CB 3.44Å; C227-A269 PolarHBondContact N-O 3.26Å; C227-A269 PolarHBondContact O-N 3.19Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.47Å; C227-C283 WeakPolarHBondContact SG-CB 3.46Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.33Å
228	W	98.4	Very high	95.8	Very high	47 Å²	47	46.4 Å²	46.4	18%	0.178	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	142.6	179.3	-69.2	90.3	0	0	0	110.5	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.14Å; T211-W228 WeakPolarHBondContact CB-O 3.41Å; H212-W228 AromaticContact CD2-CD1 3.98Å; H212-W228 VanDerWaalsContact CE1-CB 3.45Å; H212-W228 WeakPolarHBondContact CE1-CB 3.41Å; H212-W228 AromaticContact CE1-CD1 3.89Å; H212-W228 AromaticContact CE1-CG 3.69Å; H212-W228 PolarHBondContact N-O 3.45Å; H212-W228 AromaticContact NE2-CD1 3.46Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 3.07Å; T214-W228 PolarHBondContact OG1-NE1 2.9Å; T214-W228 VanDerWaalsContact OG1-NE1 3.14Å; R226-W228 HydrophobicContact CG-CZ2 4.46Å; W228-L230 HydrophobicContact CE3-CD2 3.89Å; W228-L230 HydrophobicContact CZ3-CD2 4.43Å; W228-W268 HydrophobicContact CD2-CB 3.98Å; W228-W268 HydrophobicContact CD2-CG 4.49Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.89Å; W228-W268 HydrophobicContact CE3-CG 4.19Å; W228-W268 HydrophobicContact CG-CB 4.41Å; W228-W268 AromaticContact CH2-CD1 3.71Å; W228-W268 HydrophobicContact CH2-CG 4.34Å; W228-W268 HydrophobicContact CZ3-CB 4.31Å; W228-W268 AromaticContact CZ3-CD1 3.44Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.44Å; W228-W268 HydrophobicContact CZ3-CG 4.13Å
229	A	98.5	Very high	96	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.3	162	0	0	0	0	0	107.6	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.87Å; T211-A229 HydrophobicContact CG2-CB 4.3Å; A229-F232 HydrophobicContact CB-CD1 4.04Å; A229-F232 HydrophobicContact CB-CE1 3.8Å; A229-F232 WeakPolarHBondContact O-CE1 3.48Å; A229-I237 HydrophobicContact CB-CD1 3.69Å; A229-L239 HydrophobicContact CB-CD1 4.05Å; A229-L239 HydrophobicContact CB-CD2 4.23Å; A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.14Å; A229-K267 PolarHBondContact N-O 2.9Å; A229-K267 PolarHBondContact O-N 3.32Å; A229-K267 VanDerWaalsContact O-O 3.09Å
230	L	98.3	Very high	96.3	Very high	54 Å²	54	42 Å²	42	28%	0.283	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	147.2	-174.8	-58.1	176.9	0	0	0	110.8	K210 W228 Q266	K210-L230 PolarHBondContact N-O 2.79Å; K210-L230 PolarHBondContact O-N 3.41Å; W228-L230 HydrophobicContact CE3-CD2 3.89Å; W228-L230 HydrophobicContact CZ3-CD2 4.43Å; L230-Q266 HydrophobicContact CD2-CB 3.58Å
231	G	97.4	Very high	96.7	Very high	18 Å²	18	35 Å²	35	19%	0.186	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.7	35.4	168.4	0	0	0	0	0	113.7	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.36Å; G231-F265 PolarHBondContact N-O 2.79Å
232	F	97.2	Very high	97	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	155.2	179.5	59.3	-90.3	0	0	0	112.4	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.47Å; E207-F232 WeakPolarHBondContact O-CB 3.26Å; P209-F232 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CD1 3.93Å; P209-F232 HydrophobicContact CB-CG 4.17Å; A229-F232 HydrophobicContact CB-CD1 4.04Å; A229-F232 HydrophobicContact CB-CE1 3.8Å; A229-F232 WeakPolarHBondContact O-CE1 3.48Å; F232-P234 WeakPolarHBondContact CD2-O 3.27Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CD2-CG2 4.49Å; F232-I237 HydrophobicContact CE1-CD1 3.81Å; F232-I237 HydrophobicContact CE1-CG2 4.43Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.54Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.86Å; F232-I237 HydrophobicContact CZ-CG2 3.52Å; F232-T257 HydrophobicContact CE2-CG2 4.06Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; F232-T264 CarbonylContact O-C 3.54Å; F232-T264 WeakPolarHBondContact O-CA 3.47Å; F232-F265 WeakPolarHBondContact CD1-O 3.22Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.29Å; F232-F265 WeakPolarHBondContact CE1-O 3.42Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 2.71Å; F232-F265 PolarHBondContact O-N 2.83Å; F232-K267 HydrophobicContact CE1-CB 4.37Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; F232-H287 AromaticContact CD2-CD2 3.74Å; F232-H287 AromaticContact CD2-NE2 3.67Å
233	Y	95.6	Very high	97	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.016	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-150.9	135.7	173.7	178.7	-84.1	0	0	0	108.7	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.04Å; T55-Y233 PolarHBondContact OG1-OH 2.92Å; R205-Y233 HydrophobicContact CG-CD1 4.2Å; R205-Y233 VanDerWaalsContact O-CD1 3.32Å; R205-Y233 WeakPolarHBondContact O-CD1 3.15Å; A206-Y233 CarbonylContact C-O 3.56Å; A206-Y233 WeakPolarHBondContact CA-O 3.42Å; E207-Y233 PolarHBondContact N-O 2.93Å; E207-Y233 PolarHBondContact O-N 3.27Å; E207-Y233 VanDerWaalsContact O-N 3.08Å; Y233-G263 WeakPolarHBondContact CD2-O 3.43Å; Y233-F265 HydrophobicContact CD2-CD2 4.44Å; Y233-F265 AromaticContact CD2-CE2 3.98Å; Y233-F265 HydrophobicContact CD2-CE2 3.98Å; Y233-F265 HydrophobicContact CE2-CE2 4.44Å; Y233-H287 PolarHBondContact O-CE1 3.31Å
234	P	94.9	Very high	96.9	Very high	16 Å²	16	34.4 Å²	34.4	10%	0.104	18%	0.175	C	C	.	.	S	Bend	cis	-72.5	179.4	3	30.7	-36.7	0	0	0	113.3	D54 F232 E236 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.3Å; D54-P234 WeakPolarHBondContact OD2-CB 3.49Å; F232-P234 WeakPolarHBondContact CD2-O 3.27Å; P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 2.82Å; P234-H287 PolarHBondContact O-NE2 3.26Å; P234-E288 HydrophobicContact CG-CB 4.35Å; P234-E288 WeakPolarHBondContact CG-OE2 3.21Å
235	A	96.1	Very high	96.6	Very high	14 Å²	14	35.4 Å²	35.4	12%	0.116	19%	0.191	C	C	.	.	S	Bend	trans	-70.6	-24.8	-175.5	0	0	0	0	0	113.8	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.3Å; D54-A235 VanDerWaalsContact CG-CB 3.49Å; D54-A235 VanDerWaalsContact OD2-CB 3.31Å; D54-A235 WeakPolarHBondContact OD2-CB 3.32Å; D54-A235 PolarHBondContact OD2-N 3.3Å; A235-I237 PolarHBondContact O-N 2.88Å; A235-T257 HydrophobicContact CB-CG2 4.31Å; A235-T257 WeakPolarHBondContact O-CG2 3.38Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.69Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.75Å; A235-F265 HydrophobicContact CB-CZ 3.7Å
236	E	95.3	Very high	96.4	Very high	144 Å²	144	41.7 Å²	41.7	67%	0.673	22%	0.22	S	C	*	.			trans	-65.6	117.3	179.7	-170.5	57.2	-142.2	0	0	110.1	P234 H287	P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 2.82Å; E236-H287 PolarHBondContact O-CD2 2.84Å
237	I	96.1	Very high	96.2	Very high	10 Å²	10	43.1 Å²	43.1	5%	0.051	23%	0.233	C	C	.	.			trans	-153.1	140.6	-177.9	-166.2	168.5	0	0	0	109.7	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; A229-I237 HydrophobicContact CB-CD1 3.69Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CD2-CG2 4.49Å; F232-I237 HydrophobicContact CE1-CD1 3.81Å; F232-I237 HydrophobicContact CE1-CG2 4.43Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.54Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.86Å; F232-I237 HydrophobicContact CZ-CG2 3.52Å; A235-I237 PolarHBondContact O-N 2.88Å; I237-L239 HydrophobicContact CD1-CD1 3.71Å; I237-L239 HydrophobicContact CG1-CD1 3.63Å; I237-L239 HydrophobicContact CG2-CD1 4.18Å; I237-K267 HydrophobicContact CG2-CB 4.23Å; I237-K267 HydrophobicContact CG2-CD 3.54Å; I237-V285 HydrophobicContact CD1-CG1 3.96Å; I237-V285 HydrophobicContact CG1-CG1 4.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.5Å; I237-H287 HydrophobicContact CD1-CB 4.11Å; I237-H287 HydrophobicContact CG1-CB 3.96Å
238	T	97	Very high	95.9	Very high	59 Å²	59	44.5 Å²	44.5	36%	0.362	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.1	175	-63.5	0	0	0	0	110.2	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.04Å; T238-V285 WeakPolarHBondContact O-CA 3.41Å; T238-Q286 PolarHBondContact N-O 3.38Å; T238-Q286 PolarHBondContact O-N 2.7Å
239	L	97.7	Very high	95.4	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.037	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	121.2	172.9	-87.9	63.4	0	0	0	108.7	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.05Å; A229-L239 HydrophobicContact CB-CD2 4.23Å; I237-L239 HydrophobicContact CD1-CD1 3.71Å; I237-L239 HydrophobicContact CG1-CD1 3.63Å; I237-L239 HydrophobicContact CG2-CD1 4.18Å; L239-L254 HydrophobicContact CB-CD1 4.08Å; L239-K267 HydrophobicContact CD1-CD 4.3Å; L239-K267 HydrophobicContact CD2-CB 4.43Å; L239-K267 HydrophobicContact CD2-CG 4.48Å; L239-A269 HydrophobicContact CB-CB 4.03Å; L239-A269 HydrophobicContact CD2-CB 4.26Å; L239-H284 WeakPolarHBondContact CA-O 3.33Å; L239-V285 HydrophobicContact CD1-CG1 4.05Å; L239-V285 HydrophobicContact CD1-CG2 4.49Å; L239-V285 HydrophobicContact CG-CG2 4.28Å
240	T	97.3	Very high	94.9	Very high	38 Å²	38	56.1 Å²	56.1	23%	0.233	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144.7	176.2	56.6	0	0	0	0	111.4	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.04Å; T240-C283 CarbonylContact O-C 3.59Å; T240-C283 WeakPolarHBondContact O-CA 3.39Å; T240-H284 PolarHBondContact N-O 3.36Å; T240-H284 PolarHBondContact O-N 3.19Å
241	W	97.9	Very high	94.3	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.008	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	137.9	168.3	-82.3	105.4	0	0	0	109.6	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.85Å; V213-W241 HydrophobicContact CG1-CZ2 4.33Å; V213-W241 HydrophobicContact CG2-CH2 4.25Å; L225-W241 HydrophobicContact CB-CH2 3.7Å; L225-W241 HydrophobicContact CB-CZ2 3.77Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 4.02Å; L225-W241 HydrophobicContact CD1-CZ3 4.18Å; C227-W241 HydrophobicContact CB-CH2 4.44Å; C227-W241 HydrophobicContact CB-CZ2 3.62Å; W241-Q248 HydrophobicContact CB-CB 4.24Å; W241-Q248 PolarHBondContact O-N 3.06Å; W241-A269 PolarHBondContact NE1-O 2.85Å; W241-V271 HydrophobicContact CB-CG1 4.36Å; W241-V271 HydrophobicContact CD2-CB 4.46Å; W241-V271 HydrophobicContact CD2-CG1 3.59Å; W241-V271 HydrophobicContact CE3-CG1 4.03Å; W241-V271 HydrophobicContact CG-CB 4.11Å; W241-V271 HydrophobicContact CG-CG1 3.74Å; W241-V271 HydrophobicContact CZ2-CG1 4.31Å; W241-T282 CarbonylContact C-O 3.53Å; W241-T282 WeakPolarHBondContact CA-O 3.31Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; W241-C283 HydrophobicContact CD2-CB 4.14Å; W241-C283 HydrophobicContact CE3-CB 4.05Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.95Å
242	Q	97.4	Very high	94.1	Very high	40 Å²	40	59 Å²	59	19%	0.187	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	147	173	-69.3	-174.2	-8.6	0	0	110.5	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.54Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.23Å; Q242-D247 VanDerWaalsContact CG-OD1 3.23Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.4Å; Q242-D247 PolarHBondContact NE2-OD1 2.81Å; Q242-Y281 CarbonylContact O-C 3.58Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.49Å; Q242-T282 PolarHBondContact N-O 2.85Å; Q242-T282 PolarHBondContact O-N 2.81Å; Q242-H284 PolarHBondContact OE1-NE2 3.42Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.08Å
243	W	95.5	Very high	94.1	Very high	75 Å²	75	65.8 Å²	65.8	28%	0.284	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	114.5	170.1	176.8	70	0	0	0	108.3	G245 E246 Q248 R280 Y281	W243-G245 PolarHBondContact O-N 2.99Å; W243-E246 PolarHBondContact N-O 3.2Å; W243-E246 PolarHBondContact O-N 3.03Å; W243-Q248 HydrophobicContact CB-CG 3.97Å; W243-R280 VanDerWaalsContact CE2-NH2 3.28Å; W243-R280 VanDerWaalsContact CZ2-NH1 3.27Å; W243-Y281 HydrophobicContact CB-CD1 4.25Å; W243-Y281 HydrophobicContact CB-CE1 4.01Å; W243-Y281 AromaticContact CD1-CE2 3.65Å; W243-Y281 AromaticContact CD1-CZ 3.66Å; W243-Y281 HydrophobicContact CG-CE1 4.31Å
244	D	93.1	Very high	94.1	Very high	106 Å²	106	69.8 Å²	69.8	57%	0.567	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	31.8	-172.8	-67.9	-21	0	0	0	114.4	R280	D244-R280 PolarHBondContact N-O 3.12Å; D244-R280 IonicContact OD1-NE 3.19Å; D244-R280 IonicContact OD2-CZ 3.51Å; D244-R280 IonicContact OD2-NE 3.42Å; D244-R280 PolarHBondContact OD2-NE 3.17Å; D244-R280 IonicContact OD2-NH2 2.74Å; D244-R280 PolarHBondContact OD2-NH2 3.35Å
245	G	89.9	Confident	94.1	Very high	49 Å²	49	70.6 Å²	70.6	51%	0.505	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.1	-1.6	-179.6	0	0	0	0	0	115.5	W243	W243-G245 PolarHBondContact O-N 2.99Å
246	E	93.9	Very high	94.2	Very high	131 Å²	131	78.1 Å²	78.1	61%	0.612	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	126.5	176.5	-63.3	-170.6	169.3	0	0	112	Q242 W243 Q248	Q242-E246 CarbonylContact C-O 3.54Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.23Å; W243-E246 PolarHBondContact N-O 3.2Å; W243-E246 PolarHBondContact O-N 3.03Å; E246-Q248 PolarHBondContact O-N 3.2Å; E246-Q248 PolarHBondContact O-NE2 2.9Å
247	D	93.5	Very high	94.3	Very high	92 Å²	92	73.5 Å²	73.5	49%	0.492	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	131.1	-178.6	-72.1	-21.5	0	0	0	112.8	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.23Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.4Å; Q242-D247 PolarHBondContact NE2-OD1 2.81Å
248	Q	93.5	Very high	94.3	Very high	28 Å²	28	77.7 Å²	77.7	13%	0.131	40%	0.4	C	S	.	.			trans	-102.8	41.8	-177.5	-58.9	-60	-60.8	0	0	112.1	W241 W243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.24Å; W241-Q248 PolarHBondContact O-N 3.06Å; W243-Q248 HydrophobicContact CB-CG 3.97Å; E246-Q248 PolarHBondContact O-N 3.2Å; E246-Q248 PolarHBondContact O-NE2 2.9Å; Q248-Q250 VanDerWaalsContact C-N 3.34Å; Q248-Q250 PolarHBondContact O-N 3.25Å; Q248-D251 PolarHBondContact O-N 2.63Å; Q248-T252 VanDerWaalsContact O-CB 3.25Å; Q248-T252 WeakPolarHBondContact O-CB 3.42Å; Q248-T252 PolarHBondContact O-N 3.3Å; Q248-T252 PolarHBondContact O-OG1 3.17Å; Q248-Y281 HydrophobicContact CG-CE1 4.38Å
249	T	87.2	Confident	94.3	Very high	105 Å²	105	79.4 Å²	79.4	64%	0.644	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-37.5	-169.5	-46.1	0	0	0	0	113.6
250	Q	87.4	Confident	94.3	Very high	187 Å²	187	81.4 Å²	81.4	87%	0.874	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-34.5	-177.4	-65.9	-173.8	2.3	0	0	112.8	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.34Å; Q248-Q250 PolarHBondContact O-N 3.25Å; Q250-T252 VanDerWaalsContact C-N 3.34Å
251	D	86.2	Confident	94	Very high	111 Å²	111	83.2 Å²	83.2	59%	0.594	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-5.3	-178.5	-56.3	-57.2	0	0	0	112.7	Q248	Q248-D251 PolarHBondContact O-N 2.63Å
252	T	93.8	Very high	93.8	Very high	21 Å²	21	88.5 Å²	88.5	13%	0.129	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	119.8	178.1	-65.3	0	0	0	0	111.2	Q248 Q250 L254 A269 A270	Q248-T252 VanDerWaalsContact O-CB 3.25Å; Q248-T252 WeakPolarHBondContact O-CB 3.42Å; Q248-T252 PolarHBondContact O-N 3.3Å; Q248-T252 PolarHBondContact O-OG1 3.17Å; Q250-T252 VanDerWaalsContact C-N 3.34Å; T252-L254 HydrophobicContact CG2-CB 4.46Å; T252-L254 PolarHBondContact O-N 3.42Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; T252-A270 CarbonylContact C-O 3.59Å; T252-A270 WeakPolarHBondContact CA-O 3.31Å
253	K	96	Very high	93.5	Very high	142 Å²	142	88.6 Å²	88.6	62%	0.617	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	100.9	162.8	-174.6	175	-177.8	176.6	0	109.7	W268 A269 A270	K253-W268 HydrophobicContact CB-CZ3 4.35Å; K253-W268 HydrophobicContact CD-CH2 3.83Å; K253-W268 HydrophobicContact CD-CZ3 4.15Å; K253-W268 HydrophobicContact CG-CH2 4.03Å; K253-W268 HydrophobicContact CG-CZ3 3.98Å; K253-W268 WeakPolarHBondContact O-CZ3 3.49Å; K253-A269 WeakPolarHBondContact O-CA 3.21Å; K253-A270 PolarHBondContact N-O 2.77Å; K253-A270 PolarHBondContact O-N 3.44Å
254	L	96.2	Very high	93.5	Very high	89 Å²	89	85.4 Å²	85.4	47%	0.466	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	129.4	173.3	-171.2	66.4	0	0	0	110.2	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.08Å; T252-L254 HydrophobicContact CG2-CB 4.46Å; T252-L254 PolarHBondContact O-N 3.42Å; L254-K267 HydrophobicContact CD1-CD 4.41Å; L254-A269 HydrophobicContact CD1-CB 3.67Å
255	V	96.1	Very high	93.8	Very high	32 Å²	32	81.6 Å²	81.6	19%	0.194	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-91.8	154.6	171.9	-64.5	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 VanDerWaalsContact O-CE 3.31Å; V255-K267 WeakPolarHBondContact O-CE 3.42Å; V255-K267 WeakPolarHBondContact O-CG 3.27Å; V255-K267 PolarHBondContact O-NZ 3.37Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.95Å; V255-W268 HydrophobicContact CG1-CE3 4.24Å; V255-W268 HydrophobicContact CG1-CH2 3.52Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.03Å; V255-W268 HydrophobicContact CG2-CD2 3.77Å; V255-W268 HydrophobicContact CG2-CE3 4.49Å; V255-W268 HydrophobicContact CG2-CG 3.75Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.04Å; V255-W268 PolarHBondContact N-O 3.25Å
256	E	96.3	Very high	94.2	Very high	173 Å²	173	81.3 Å²	81.3	81%	0.808	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-56.7	146.4	167	-68.2	-179.4	177.9	0	0	110.9	R258	E256-R258 PolarHBondContact O-N 3.34Å
257	T	97.7	Very high	94.4	Very high	47 Å²	47	76.1 Å²	76.1	29%	0.288	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-67.6	131.7	173.7	-55.8	0	0	0	0	108.2	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.06Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; A235-T257 HydrophobicContact CB-CG2 4.31Å; A235-T257 WeakPolarHBondContact O-CG2 3.38Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.11Å; T257-K267 WeakPolarHBondContact OG1-CD 3.48Å; T257-K267 PolarHBondContact OG1-NZ 2.82Å; T257-K267 VanDerWaalsContact OG1-NZ 3.07Å
258	R	97.1	Very high	94.6	Very high	97 Å²	97	73 Å²	73	37%	0.366	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	145.5	-175.5	68.7	-169.1	-179	-166.4	1.8	111.2	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.34Å; R258-F265 WeakPolarHBondContact O-CA 3.47Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 3.3Å; R258-Q266 WeakPolarHBondContact O-CG 3.22Å; R258-Q266 PolarHBondContact O-N 3.41Å
259	P	97	Very high	94.8	Very high	95 Å²	95	71.7 Å²	71.7	62%	0.617	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	144.9	177.7	28.1	-34.3	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CE1 4.31Å
260	A	96.3	Very high	95.3	Very high	49 Å²	49	67 Å²	67	41%	0.405	37%	0.372	S	S	.	.			trans	-87.3	-19.1	172.5	0	0	0	0	0	112.8	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.27Å; A260-T264 WeakPolarHBondContact CB-O 3.35Å; A260-T264 PolarHBondContact N-O 2.81Å
261	G	92.9	Very high	95.8	Very high	77 Å²	77	58.2 Å²	58.2	79%	0.794	33%	0.331	S	S	*	.	S	Bend	trans	97.7	-6.8	178.9	0	0	0	0	0	114.8
262	D	92.5	Very high	96.3	Very high	112 Å²	112	57.9 Å²	57.9	60%	0.599	33%	0.327	S	S	*	.	S	Bend	trans	-105.2	11.6	176.3	59.7	2.4	0	0	0	113	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.27Å; D262-T264 WeakPolarHBondContact OD1-CB 3.23Å; D262-T264 PolarHBondContact OD1-N 3.08Å; D262-T264 PolarHBondContact OD1-OG1 2.84Å
263	G	91.3	Very high	96.4	Very high	42 Å²	42	56.9 Å²	56.9	43%	0.433	32%	0.321	S	S	.	.	S	Bend	trans	90.7	-3.1	-173.9	0	0	0	0	0	114.2	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.43Å
264	T	96.4	Very high	96.4	Very high	8 Å²	8	52.6 Å²	52.6	5%	0.049	31%	0.307	C	S	.	.			trans	-103.4	173.5	174.6	74	0	0	0	0	112.5	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.36Å; F232-T264 CarbonylContact O-C 3.54Å; F232-T264 WeakPolarHBondContact O-CA 3.47Å; A260-T264 WeakPolarHBondContact CB-O 3.35Å; A260-T264 PolarHBondContact N-O 2.81Å; D262-T264 WeakPolarHBondContact OD1-CB 3.23Å; D262-T264 PolarHBondContact OD1-N 3.08Å; D262-T264 PolarHBondContact OD1-OG1 2.84Å
265	F	98	Very high	96.1	Very high	26 Å²	26	51 Å²	51	11%	0.114	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	163.1	-177.6	-64.2	-85.8	0	0	0	112.5	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.69Å; G231-F265 PolarHBondContact N-O 2.79Å; F232-F265 WeakPolarHBondContact CD1-O 3.22Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.29Å; F232-F265 WeakPolarHBondContact CE1-O 3.42Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 2.71Å; F232-F265 PolarHBondContact O-N 2.83Å; Y233-F265 HydrophobicContact CD2-CD2 4.44Å; Y233-F265 AromaticContact CD2-CE2 3.98Å; Y233-F265 HydrophobicContact CD2-CE2 3.98Å; Y233-F265 HydrophobicContact CE2-CE2 4.44Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.69Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.75Å; A235-F265 HydrophobicContact CB-CZ 3.7Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.11Å; R258-F265 WeakPolarHBondContact O-CA 3.47Å; P259-F265 HydrophobicContact CB-CE1 4.31Å
266	Q	98.3	Very high	95.9	Very high	44 Å²	44	52.7 Å²	52.7	21%	0.206	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	145.5	174.6	43.2	167.7	-24	0	0	110.1	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.14Å; L230-Q266 HydrophobicContact CD2-CB 3.58Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 3.3Å; R258-Q266 WeakPolarHBondContact O-CG 3.22Å; R258-Q266 PolarHBondContact O-N 3.41Å
267	K	98.5	Very high	95.8	Very high	21 Å²	21	47.5 Å²	47.5	9%	0.091	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	155.2	177.4	-161.9	-176.8	-171	70.4	0	109.2	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.9Å; A229-K267 PolarHBondContact O-N 3.32Å; A229-K267 VanDerWaalsContact O-O 3.09Å; F232-K267 HydrophobicContact CE1-CB 4.37Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; I237-K267 HydrophobicContact CG2-CB 4.23Å; I237-K267 HydrophobicContact CG2-CD 3.54Å; L239-K267 HydrophobicContact CD1-CD 4.3Å; L239-K267 HydrophobicContact CD2-CB 4.43Å; L239-K267 HydrophobicContact CD2-CG 4.48Å; L254-K267 HydrophobicContact CD1-CD 4.41Å; V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 VanDerWaalsContact O-CE 3.31Å; V255-K267 WeakPolarHBondContact O-CE 3.42Å; V255-K267 WeakPolarHBondContact O-CG 3.27Å; V255-K267 PolarHBondContact O-NZ 3.37Å; T257-K267 WeakPolarHBondContact OG1-CD 3.48Å; T257-K267 PolarHBondContact OG1-NZ 2.82Å; T257-K267 VanDerWaalsContact OG1-NZ 3.07Å
268	W	98.3	Very high	95.6	Very high	28 Å²	28	46.1 Å²	46.1	11%	0.106	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	154.6	169.3	59.9	-99.4	0	0	0	111.8	R226 C227 W228 K253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.13Å; R226-W268 HydrophobicContact CG-CE3 3.92Å; R226-W268 HydrophobicContact CG-CG 4.22Å; C227-W268 CarbonylContact O-C 3.56Å; C227-W268 WeakPolarHBondContact O-CA 3.33Å; C227-W268 WeakPolarHBondContact O-CB 3.44Å; W228-W268 HydrophobicContact CD2-CB 3.98Å; W228-W268 HydrophobicContact CD2-CG 4.49Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.89Å; W228-W268 HydrophobicContact CE3-CG 4.19Å; W228-W268 HydrophobicContact CG-CB 4.41Å; W228-W268 AromaticContact CH2-CD1 3.71Å; W228-W268 HydrophobicContact CH2-CG 4.34Å; W228-W268 HydrophobicContact CZ3-CB 4.31Å; W228-W268 AromaticContact CZ3-CD1 3.44Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.44Å; W228-W268 HydrophobicContact CZ3-CG 4.13Å; K253-W268 HydrophobicContact CB-CZ3 4.35Å; K253-W268 HydrophobicContact CD-CH2 3.83Å; K253-W268 HydrophobicContact CD-CZ3 4.15Å; K253-W268 HydrophobicContact CG-CH2 4.03Å; K253-W268 HydrophobicContact CG-CZ3 3.98Å; K253-W268 WeakPolarHBondContact O-CZ3 3.49Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.95Å; V255-W268 HydrophobicContact CG1-CE3 4.24Å; V255-W268 HydrophobicContact CG1-CH2 3.52Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.03Å; V255-W268 HydrophobicContact CG2-CD2 3.77Å; V255-W268 HydrophobicContact CG2-CE3 4.49Å; V255-W268 HydrophobicContact CG2-CG 3.75Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.04Å; V255-W268 PolarHBondContact N-O 3.25Å; W268-A270 HydrophobicContact CE3-CB 3.9Å; W268-A270 HydrophobicContact CZ3-CB 3.6Å
269	A	98.2	Very high	95.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.4	173.6	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 K253 L254	R226-A269 WeakPolarHBondContact CA-O 3.2Å; C227-A269 PolarHBondContact N-O 3.26Å; C227-A269 PolarHBondContact O-N 3.19Å; L239-A269 HydrophobicContact CB-CB 4.03Å; L239-A269 HydrophobicContact CD2-CB 4.26Å; W241-A269 PolarHBondContact NE1-O 2.85Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; K253-A269 WeakPolarHBondContact O-CA 3.21Å; L254-A269 HydrophobicContact CD1-CB 3.67Å
270	A	97.8	Very high	95.4	Very high	7 Å²	7	45.2 Å²	45.2	6%	0.058	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142	179.2	0	0	0	0	0	112	T224 L225 R226 T252 K253 W268	T224-A270 HydrophobicContact CG2-CB 3.95Å; L225-A270 CarbonylContact O-C 3.45Å; L225-A270 WeakPolarHBondContact O-CA 3.28Å; R226-A270 HydrophobicContact CB-CB 4.03Å; R226-A270 HydrophobicContact CG-CB 4.14Å; T252-A270 CarbonylContact C-O 3.59Å; T252-A270 WeakPolarHBondContact CA-O 3.31Å; K253-A270 PolarHBondContact N-O 2.77Å; K253-A270 PolarHBondContact O-N 3.44Å; W268-A270 HydrophobicContact CE3-CB 3.9Å; W268-A270 HydrophobicContact CZ3-CB 3.6Å
271	V	97.4	Very high	95.5	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	142.5	177	63.4	0	0	0	0	108.9	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.41Å; L225-V271 HydrophobicContact CB-CG1 4.22Å; L225-V271 PolarHBondContact N-O 2.98Å; L225-V271 PolarHBondContact O-N 2.74Å; W241-V271 HydrophobicContact CB-CG1 4.36Å; W241-V271 HydrophobicContact CD2-CB 4.46Å; W241-V271 HydrophobicContact CD2-CG1 3.59Å; W241-V271 HydrophobicContact CE3-CG1 4.03Å; W241-V271 HydrophobicContact CG-CB 4.11Å; W241-V271 HydrophobicContact CG-CG1 3.74Å; W241-V271 HydrophobicContact CZ2-CG1 4.31Å; V271-V273 HydrophobicContact CG1-CG1 3.8Å; V271-V273 HydrophobicContact CG2-CG1 4.45Å; V271-Y281 HydrophobicContact CG1-CD1 4.07Å; V271-Y281 HydrophobicContact CG1-CE1 4.47Å; V271-Y281 HydrophobicContact CG2-CD1 4.45Å; V271-Y281 HydrophobicContact CG2-CE1 4.09Å
272	M	96.6	Very high	95.7	Very high	103 Å²	103	40.7 Å²	40.7	51%	0.507	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	130.9	172.1	-171.1	173.8	-67.9	0	0	108.4	E222 A223	E222-M272 HydrophobicContact CB-CG 4.46Å; A223-M272 WeakPolarHBondContact O-CA 3.39Å
273	V	95.8	Very high	96	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	145.8	-173.4	-53.7	0	0	0	0	110.5	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.14Å; A223-V273 HydrophobicContact CB-CG2 4.28Å; A223-V273 PolarHBondContact N-O 3.32Å; A223-V273 PolarHBondContact O-N 3.05Å; L225-V273 HydrophobicContact CD1-CG1 4.03Å; L225-V273 HydrophobicContact CD1-CG2 4.16Å; L225-V273 HydrophobicContact CG-CG1 4.14Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; V271-V273 HydrophobicContact CG1-CG1 3.8Å; V271-V273 HydrophobicContact CG2-CG1 4.45Å; V273-E278 HydrophobicContact CG2-CG 3.96Å; V273-Y281 HydrophobicContact CB-CD2 4Å; V273-Y281 HydrophobicContact CB-CE2 3.67Å; V273-Y281 HydrophobicContact CG1-CD1 3.84Å; V273-Y281 HydrophobicContact CG1-CD2 3.56Å; V273-Y281 HydrophobicContact CG1-CE1 3.76Å; V273-Y281 HydrophobicContact CG1-CE2 3.49Å; V273-Y281 VanDerWaalsContact CG1-CE2 3.49Å; V273-Y281 HydrophobicContact CG1-CG 3.73Å
274	P	95.4	Very high	96.3	Very high	52 Å²	52	34.9 Å²	34.9	34%	0.338	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	139.5	168.9	-19.4	32	0	0	0	111.3	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.29Å; P274-G276 PolarHBondContact O-N 3.15Å; P274-E277 HydrophobicContact CB-CB 4.34Å; P274-E277 HydrophobicContact CB-CG 4.18Å; P274-E277 PolarHBondContact O-N 2.87Å; P274-E277 VanDerWaalsContact O-N 3.09Å
275	S	91.3	Very high	96.3	Very high	55 Å²	55	34.5 Å²	34.5	39%	0.385	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	126.7	173.9	-64.3	0	0	0	0	110.6	D220 H221 E222 E278	D220-S275 WeakPolarHBondContact O-CB 3.38Å; D220-S275 PolarHBondContact O-OG 3.09Å; H221-S275 PolarHBondContact O-N 3.24Å; H221-S275 PolarHBondContact O-OG 2.84Å; E222-S275 PolarHBondContact N-OG 3.01Å; S275-E278 WeakPolarHBondContact CA-OE1 3.4Å
276	G	90.6	Very high	96.3	Very high	67 Å²	67	36.8 Å²	36.8	69%	0.691	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.2	-8.9	-178.6	0	0	0	0	0	115.1	P274 E278	P274-G276 PolarHBondContact O-N 3.15Å; G276-E278 WeakPolarHBondContact CA-OE2 3.49Å; G276-E278 VanDerWaalsContact N-CD 3.27Å; G276-E278 PolarHBondContact N-OE1 2.66Å; G276-E278 PolarHBondContact N-OE2 2.8Å
277	E	94.4	Very high	96.1	Very high	64 Å²	64	34.9 Å²	34.9	30%	0.299	19%	0.189	S	C	.	.			trans	-99.2	3.5	175.7	-65.8	-158.7	-152.2	0	0	113.4	P274 Q279 R280 Y281	P274-E277 HydrophobicContact CB-CB 4.34Å; P274-E277 HydrophobicContact CB-CG 4.18Å; P274-E277 PolarHBondContact O-N 2.87Å; P274-E277 VanDerWaalsContact O-N 3.09Å; E277-Q279 PolarHBondContact O-N 3.36Å; E277-R280 WeakPolarHBondContact O-CB 3.43Å; E277-R280 PolarHBondContact O-N 2.84Å; E277-R280 IonicContact OE2-CZ 3.2Å; E277-R280 IonicContact OE2-NH1 2.91Å; E277-R280 PolarHBondContact OE2-NH1 2.87Å; E277-Y281 HydrophobicContact CB-CE2 4.37Å; E277-Y281 WeakPolarHBondContact O-CD2 3.35Å
278	E	94.3	Very high	95.8	Very high	19 Å²	19	37.4 Å²	37.4	9%	0.089	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-57.7	-31.9	-171	-56.5	83.4	177.7	0	0	112.8	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.43Å; L225-E278 HydrophobicContact CD1-CB 4.12Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.36Å; V273-E278 HydrophobicContact CG2-CG 3.96Å; S275-E278 WeakPolarHBondContact CA-OE1 3.4Å; G276-E278 WeakPolarHBondContact CA-OE2 3.49Å; G276-E278 VanDerWaalsContact N-CD 3.27Å; G276-E278 PolarHBondContact N-OE1 2.66Å; G276-E278 PolarHBondContact N-OE2 2.8Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 2.95Å; E278-Y281 PolarHBondContact O-N 3.11Å; E278-W298 HydrophobicContact CB-CD2 4.43Å; E278-W298 HydrophobicContact CB-CE3 3.42Å; E278-W298 VanDerWaalsContact CB-CE3 3.42Å; E278-W298 HydrophobicContact CB-CZ3 3.84Å; E278-W298 HydrophobicContact CG-CE3 3.77Å; E278-W298 HydrophobicContact CG-CZ3 3.81Å
279	Q	94.2	Very high	95.5	Very high	88 Å²	88	36.7 Å²	36.7	41%	0.411	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-72.8	-15.6	-179	-63.7	-57.3	-46.3	0	0	114.1	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 3.36Å; Q279-Y281 VanDerWaalsContact C-N 3.31Å; Q279-W298 PolarHBondContact NE2-O 2.85Å
280	R	95.8	Very high	95.3	Very high	84 Å²	84	37.2 Å²	37.2	32%	0.317	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-80.3	-17.6	174.2	-60.9	176.6	69.3	-169.7	2.8	112.2	W243 D244 E277 E278	W243-R280 VanDerWaalsContact CE2-NH2 3.28Å; W243-R280 VanDerWaalsContact CZ2-NH1 3.27Å; D244-R280 PolarHBondContact N-O 3.12Å; D244-R280 IonicContact OD1-NE 3.19Å; D244-R280 IonicContact OD2-CZ 3.51Å; D244-R280 IonicContact OD2-NE 3.42Å; D244-R280 PolarHBondContact OD2-NE 3.17Å; D244-R280 IonicContact OD2-NH2 2.74Å; D244-R280 PolarHBondContact OD2-NH2 3.35Å; E277-R280 WeakPolarHBondContact O-CB 3.43Å; E277-R280 PolarHBondContact O-N 2.84Å; E277-R280 IonicContact OE2-CZ 3.2Å; E277-R280 IonicContact OE2-NH1 2.91Å; E277-R280 PolarHBondContact OE2-NH1 2.87Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 2.95Å
281	Y	96.9	Very high	95	Very high	19 Å²	19	42.6 Å²	42.6	8%	0.075	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	127.7	179.5	-69.7	-94.5	0	0	0	111.1	Q242 W243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.58Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.49Å; W243-Y281 HydrophobicContact CB-CD1 4.25Å; W243-Y281 HydrophobicContact CB-CE1 4.01Å; W243-Y281 AromaticContact CD1-CE2 3.65Å; W243-Y281 AromaticContact CD1-CZ 3.66Å; W243-Y281 HydrophobicContact CG-CE1 4.31Å; Q248-Y281 HydrophobicContact CG-CE1 4.38Å; V271-Y281 HydrophobicContact CG1-CD1 4.07Å; V271-Y281 HydrophobicContact CG1-CE1 4.47Å; V271-Y281 HydrophobicContact CG2-CD1 4.45Å; V271-Y281 HydrophobicContact CG2-CE1 4.09Å; V273-Y281 HydrophobicContact CB-CD2 4Å; V273-Y281 HydrophobicContact CB-CE2 3.67Å; V273-Y281 HydrophobicContact CG1-CD1 3.84Å; V273-Y281 HydrophobicContact CG1-CD2 3.56Å; V273-Y281 HydrophobicContact CG1-CE1 3.76Å; V273-Y281 HydrophobicContact CG1-CE2 3.49Å; V273-Y281 VanDerWaalsContact CG1-CE2 3.49Å; V273-Y281 HydrophobicContact CG1-CG 3.73Å; E277-Y281 HydrophobicContact CB-CE2 4.37Å; E277-Y281 WeakPolarHBondContact O-CD2 3.35Å; E278-Y281 PolarHBondContact O-N 3.11Å; Q279-Y281 VanDerWaalsContact C-N 3.31Å
282	T	97.8	Very high	94.7	Very high	12 Å²	12	49.6 Å²	49.6	7%	0.074	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	133.8	174.2	48.3	0	0	0	0	110.7	W241 Q242 H284 T295 L296 R297	W241-T282 CarbonylContact C-O 3.53Å; W241-T282 WeakPolarHBondContact CA-O 3.31Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; Q242-T282 PolarHBondContact N-O 2.85Å; Q242-T282 PolarHBondContact O-N 2.81Å; T282-H284 PolarHBondContact OG1-NE2 2.89Å; T282-T295 HydrophobicContact CG2-CG2 3.94Å; T282-L296 CarbonylContact C-O 3.6Å; T282-L296 WeakPolarHBondContact CA-O 3.43Å; T282-R297 HydrophobicContact CG2-CG 3.65Å; T282-R297 VanDerWaalsContact CG2-NE 3.34Å
283	C	98.1	Very high	94.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127	169.5	174.7	0	0	0	0	109.5	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.47Å; C227-C283 WeakPolarHBondContact SG-CB 3.46Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.33Å; T240-C283 CarbonylContact O-C 3.59Å; T240-C283 WeakPolarHBondContact O-CA 3.39Å; W241-C283 HydrophobicContact CD2-CB 4.14Å; W241-C283 HydrophobicContact CE3-CB 4.05Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.95Å; C283-T295 CarbonylContact O-C 3.53Å; C283-T295 WeakPolarHBondContact O-CA 3.4Å; C283-L296 HydrophobicContact CB-CB 4.28Å; C283-L296 PolarHBondContact N-O 3Å; C283-L296 PolarHBondContact O-N 3.1Å
284	H	97.8	Very high	94.7	Very high	33 Å²	33	50.4 Å²	50.4	15%	0.153	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	132.7	176	-64.3	-101	0	0	0	109.9	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.33Å; T240-H284 PolarHBondContact N-O 3.36Å; T240-H284 PolarHBondContact O-N 3.19Å; Q242-H284 PolarHBondContact OE1-NE2 3.42Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.08Å; T282-H284 PolarHBondContact OG1-NE2 2.89Å; H284-L294 CarbonylContact C-O 3.57Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.38Å; H284-T295 PolarHBondContact CE1-OG1 2.8Å; H284-T295 PolarHBondContact ND1-OG1 3.48Å
285	V	97.9	Very high	94.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	121.9	-178.5	-174.3	0	0	0	0	109.5	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.95Å; T211-V285 HydrophobicContact CG2-CB 4.44Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.06Å; I237-V285 HydrophobicContact CD1-CG1 3.96Å; I237-V285 HydrophobicContact CG1-CG1 4.3Å; T238-V285 WeakPolarHBondContact O-CA 3.41Å; L239-V285 HydrophobicContact CD1-CG1 4.05Å; L239-V285 HydrophobicContact CD1-CG2 4.49Å; L239-V285 HydrophobicContact CG-CG2 4.28Å; V285-L290 HydrophobicContact CG1-CD1 4.25Å; V285-P293 WeakPolarHBondContact O-CA 3.44Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 3.07Å; V285-L294 PolarHBondContact O-N 3.3Å; V285-L296 HydrophobicContact CG2-CD1 3.9Å
286	Q	97	Very high	95.1	Very high	74 Å²	74	51 Å²	51	35%	0.346	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.5	174.6	-55.3	177.7	15.3	0	0	109	I237 T238 P293	I237-Q286 WeakPolarHBondContact CG1-O 3.5Å; T238-Q286 PolarHBondContact N-O 3.38Å; T238-Q286 PolarHBondContact O-N 2.7Å; Q286-P293 HydrophobicContact CG-CB 3.99Å; Q286-P293 HydrophobicContact CG-CG 4.09Å
287	H	95.3	Very high	95.3	Very high	3 Å²	3	54.6 Å²	54.6	1%	0.014	27%	0.273	C	S	.	.			trans	-160.3	137.7	-175	179.9	-96.6	0	0	0	110.4	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 WeakPolarHBondContact CH2-O 3.38Å; W23-H287 WeakPolarHBondContact CZ3-O 3.1Å; E207-H287 PolarHBondContact O-CE1 3.28Å; P209-H287 HydrophobicContact CG-CB 4.04Å; F232-H287 AromaticContact CD2-CD2 3.74Å; F232-H287 AromaticContact CD2-NE2 3.67Å; Y233-H287 PolarHBondContact O-CE1 3.31Å; P234-H287 PolarHBondContact O-NE2 3.26Å; E236-H287 PolarHBondContact O-CD2 2.84Å; I237-H287 HydrophobicContact CD1-CB 4.11Å; I237-H287 HydrophobicContact CG1-CB 3.96Å; H287-G289 PolarHBondContact CE1-N 3.19Å; H287-G289 PolarHBondContact ND1-N 2.74Å; H287-G289 PolarHBondContact O-N 2.86Å; H287-L290 HydrophobicContact CB-CD1 4.05Å; H287-L290 HydrophobicContact CB-CG 4.29Å; H287-L290 WeakPolarHBondContact O-CB 3.2Å; H287-L290 PolarHBondContact O-N 2.84Å
288	E	91.1	Very high	95.4	Very high	75 Å²	75	53.7 Å²	53.7	35%	0.35	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-29.6	-175.2	-170.9	177.3	169.5	0	0	115.3	W23 C25 P234	W23-E288 VanDerWaalsContact CE3-CA 3.48Å; W23-E288 HydrophobicContact CE3-CB 4.26Å; W23-E288 HydrophobicContact CE3-CG 4.04Å; W23-E288 HydrophobicContact CZ3-CB 4.31Å; W23-E288 HydrophobicContact CZ3-CG 4.44Å; W23-E288 WeakPolarHBondContact CZ3-O 3.32Å; C25-E288 PolarHBondContact SG-OE1 2.91Å; P234-E288 HydrophobicContact CG-CB 4.35Å; P234-E288 WeakPolarHBondContact CG-OE2 3.21Å
289	G	91.3	Very high	95.1	Very high	13 Å²	13	60.6 Å²	60.6	13%	0.134	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-45.3	174.3	0	0	0	0	0	111.6	H208 H287	H208-G289 PolarHBondContact CE1-O 3.43Å; H208-G289 PolarHBondContact ND1-O 2.9Å; H287-G289 PolarHBondContact CE1-N 3.19Å; H287-G289 PolarHBondContact ND1-N 2.74Å; H287-G289 PolarHBondContact O-N 2.86Å
290	L	93.9	Very high	94.5	Very high	10 Å²	10	60.1 Å²	60.1	5%	0.052	30%	0.304	C	S	.	.			trans	-68.9	129	-167.5	-64.2	169.6	0	0	0	112.9	W23 H208 P209 V285 H287 E292 L294	W23-L290 WeakPolarHBondContact CH2-O 3.38Å; W23-L290 WeakPolarHBondContact CZ3-O 3.45Å; H208-L290 HydrophobicContact CB-CD2 4.1Å; H208-L290 WeakPolarHBondContact ND1-CA 3.37Å; H208-L290 PolarHBondContact ND1-N 2.75Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.44Å; P209-L290 HydrophobicContact CG-CG 4.21Å; V285-L290 HydrophobicContact CG1-CD1 4.25Å; H287-L290 HydrophobicContact CB-CD1 4.05Å; H287-L290 HydrophobicContact CB-CG 4.29Å; H287-L290 WeakPolarHBondContact O-CB 3.2Å; H287-L290 PolarHBondContact O-N 2.84Å; L290-E292 WeakPolarHBondContact CB-O 3.3Å; L290-E292 PolarHBondContact O-N 3.03Å; L290-L294 HydrophobicContact CD1-CD1 3.98Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.67Å; L290-L294 HydrophobicContact CD2-CD2 4.4Å; L290-L294 HydrophobicContact CD2-CG 3.86Å; L290-L294 HydrophobicContact CG-CG 4.47Å
291	P	91.7	Very high	93	Very high	120 Å²	120	61.1 Å²	61.1	78%	0.779	32%	0.324	S	S	*	.	S	Bend	trans	-66.1	-30.8	175.3	28	-34.6	0	0	0	112.3
292	E	92.7	Very high	90.8	Very high	150 Å²	150	65.7 Å²	65.7	70%	0.701	36%	0.358	S	S	*	.	S	Bend	trans	-141.3	149.3	174.5	-65.9	-176.7	178.6	0	0	109.5	L290 L294	L290-E292 WeakPolarHBondContact CB-O 3.3Å; L290-E292 PolarHBondContact O-N 3.03Å; E292-L294 PolarHBondContact O-N 3.23Å
293	P	95.1	Very high	88.3	Confident	62 Å²	62	72.7 Å²	72.7	40%	0.403	39%	0.39	S	S	.	.			trans	-54.4	136.4	174.4	-27.3	36.2	0	0	0	112.7	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.44Å; Q286-P293 HydrophobicContact CG-CB 3.99Å; Q286-P293 HydrophobicContact CG-CG 4.09Å
294	L	96.6	Very high	85.7	Confident	59 Å²	59	77.7 Å²	77.7	31%	0.309	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	140.5	175.1	-63.2	177.3	0	0	0	110.5	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.28Å; H284-L294 CarbonylContact C-O 3.57Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.38Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 3.07Å; V285-L294 PolarHBondContact O-N 3.3Å; L290-L294 HydrophobicContact CD1-CD1 3.98Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.67Å; L290-L294 HydrophobicContact CD2-CD2 4.4Å; L290-L294 HydrophobicContact CD2-CG 3.86Å; L290-L294 HydrophobicContact CG-CG 4.47Å; E292-L294 PolarHBondContact O-N 3.23Å
295	T	97.5	Very high	83.5	Confident	83 Å²	83	82.6 Å²	82.6	51%	0.509	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	119.7	170.8	-56.8	0	0	0	0	108.8	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.94Å; C283-T295 CarbonylContact O-C 3.53Å; C283-T295 WeakPolarHBondContact O-CA 3.4Å; H284-T295 PolarHBondContact CE1-OG1 2.8Å; H284-T295 PolarHBondContact ND1-OG1 3.48Å
296	L	96.8	Very high	81.4	Confident	35 Å²	35	87.6 Å²	87.6	18%	0.183	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	141	-173.1	-61	151.7	0	0	0	110.1	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.45Å; T211-L296 HydrophobicContact CG2-CD1 4.12Å; V213-L296 HydrophobicContact CG2-CB 3.88Å; T282-L296 CarbonylContact C-O 3.6Å; T282-L296 WeakPolarHBondContact CA-O 3.43Å; C283-L296 HydrophobicContact CB-CB 4.28Å; C283-L296 PolarHBondContact N-O 3Å; C283-L296 PolarHBondContact O-N 3.1Å; V285-L296 HydrophobicContact CG2-CD1 3.9Å
297	R	95.9	Very high	79.5	Confident	143 Å²	143	88.2 Å²	88.2	54%	0.54	49%	0.491	S	S	.	.			trans	-116	162.7	166.9	-70.2	-176.1	178.3	166.9	-1.3	109.5	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.65Å; T282-R297 VanDerWaalsContact CG2-NE 3.34Å; R297-E299 PolarHBondContact O-N 2.99Å
298	W	95.3	Very high	77.9	Confident	46 Å²	46	93.9 Å²	93.9	17%	0.174	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-71	122.3	167.6	170.3	56.5	0	0	0	110.1	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.81Å; H215-W298 HydrophobicContact CB-CD2 4.06Å; H215-W298 HydrophobicContact CB-CG 4.11Å; H215-W298 HydrophobicContact CB-CZ2 4Å; H215-W298 VanDerWaalsContact CB-NE1 3.26Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.8Å; H215-W298 AromaticContact ND1-CZ2 3.92Å; L225-W298 HydrophobicContact CD1-CB 4.45Å; L225-W298 HydrophobicContact CD2-CB 3.83Å; L225-W298 HydrophobicContact CD2-CD2 4.42Å; L225-W298 HydrophobicContact CD2-CG 3.98Å; E278-W298 HydrophobicContact CB-CD2 4.43Å; E278-W298 HydrophobicContact CB-CE3 3.42Å; E278-W298 VanDerWaalsContact CB-CE3 3.42Å; E278-W298 HydrophobicContact CB-CZ3 3.84Å; E278-W298 HydrophobicContact CG-CE3 3.77Å; E278-W298 HydrophobicContact CG-CZ3 3.81Å; Q279-W298 PolarHBondContact NE2-O 2.85Å; W298-P300 HydrophobicContact CE3-CG 4.43Å; W298-P300 HydrophobicContact CH2-CB 4.27Å; W298-P300 HydrophobicContact CH2-CG 3.89Å; W298-P300 HydrophobicContact CZ2-CB 4Å; W298-P300 HydrophobicContact CZ2-CG 3.98Å; W298-P300 HydrophobicContact CZ3-CG 4.11Å
299	E	88.9	Confident	76.6	Confident	164 Å²	164	96.1 Å²	96.1	77%	0.766	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-101.1	119.5	169.6	-69.9	-178.1	174	0	0	109.1	R297 S301	R297-E299 PolarHBondContact O-N 2.99Å; E299-S301 PolarHBondContact O-N 2.94Å
300	P	80.9	Confident	75.5	Confident	78 Å²	78	97.7 Å²	97.7	51%	0.506	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-58.1	129.4	170.7	-18.8	29.5	0	0	0	108.8	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.43Å; W298-P300 HydrophobicContact CH2-CB 4.27Å; W298-P300 HydrophobicContact CH2-CG 3.89Å; W298-P300 HydrophobicContact CZ2-CB 4Å; W298-P300 HydrophobicContact CZ2-CG 3.98Å; W298-P300 HydrophobicContact CZ3-CG 4.11Å; P300-S302 PolarHBondContact O-N 3.33Å
301	S	64.7	Low	74.6	Confident	105 Å²	105	101.6 Å²	101.6	73%	0.734	58%	0.575	S	S	*	*			trans	-57.9	113.8	-177.7	76.8	0	0	0	0	109.7	E299 Q303	E299-S301 PolarHBondContact O-N 2.94Å; S301-Q303 PolarHBondContact O-N 3.32Å
302	S	49.7	Very low	73.9	Confident	114 Å²	114	100.2 Å²	100.2	80%	0.797	56%	0.564	S	S	*	*			trans	-75.9	69.1	165.1	59.4	0	0	0	0	108	P300 P304	P300-S302 PolarHBondContact O-N 3.33Å; S302-P304 WeakPolarHBondContact O-CD 3.43Å
303	Q	45.2	Very low	73.2	Confident	160 Å²	160	95.6 Å²	95.6	75%	0.748	55%	0.552	S	S	*	*			trans	-67.8	112.2	152.9	-82.4	-169.1	-18.5	0	0	104.9	S301 T305	S301-Q303 PolarHBondContact O-N 3.32Å; Q303-T305 PolarHBondContact O-N 3.2Å
304	P	44.3	Very low	72.6	Confident	105 Å²	105	94.3 Å²	94.3	68%	0.682	55%	0.549	S	S	*	.			trans	-57.4	116.5	165.3	24.6	-29.7	0	0	0	104.8	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.43Å; P304-I306 PolarHBondContact O-N 2.88Å
305	T	51.5	Low	72.2	Confident	135 Å²	135	96.8 Å²	96.8	83%	0.828	56%	0.562	S	S	*	*			trans	-63.8	84.7	161.5	-32	0	0	0	0	104.1	Q303 P307	Q303-T305 PolarHBondContact O-N 3.2Å; T305-P307 VanDerWaalsContact O-CD 3.26Å; T305-P307 WeakPolarHBondContact O-CD 3.39Å
306	I	53.8	Low	71.6	Confident	106 Å²	106	95.3 Å²	95.3	54%	0.544	56%	0.559	S	S	.	*			trans	-51.5	118.6	167.8	-63.1	174.9	0	0	0	102.7	P304 I308 I311	P304-I306 PolarHBondContact O-N 2.88Å; I306-I308 HydrophobicContact CG2-CG1 4.33Å; I306-I308 WeakPolarHBondContact O-CG1 3.05Å; I306-I308 PolarHBondContact O-N 3.29Å; I306-I311 HydrophobicContact CG2-CD1 3.9Å
307	P	57.9	Low	71.1	Confident	87 Å²	87	97.9 Å²	97.9	57%	0.565	58%	0.575	S	S	*	*			trans	-74.4	77.6	-175.5	29.7	-32.3	0	0	0	106.5	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-CD 3.26Å; T305-P307 WeakPolarHBondContact O-CD 3.39Å; P307-V309 PolarHBondContact O-N 2.99Å; P307-V309 VanDerWaalsContact O-N 3.14Å; P307-G310 WeakPolarHBondContact O-CA 3.3Å; P307-G310 PolarHBondContact O-N 3.45Å; P307-I311 PolarHBondContact O-N 3.47Å; P307-I311 VanDerWaalsContact O-N 3.1Å
308	I	60.5	Low	70.7	Confident	121 Å²	121	96.5 Å²	96.5	62%	0.621	58%	0.578	S	S	*	*	H	α-helix	trans	-54.5	-35.2	179	-67.1	167.7	0	0	0	108.4	I306 G310 I311 V312	I306-I308 HydrophobicContact CG2-CG1 4.33Å; I306-I308 WeakPolarHBondContact O-CG1 3.05Å; I306-I308 PolarHBondContact O-N 3.29Å; I308-G310 PolarHBondContact O-N 3.01Å; I308-I311 PolarHBondContact O-N 3.24Å; I308-V312 HydrophobicContact CG2-CG2 4.29Å; I308-V312 WeakPolarHBondContact O-CB 3.46Å; I308-V312 WeakPolarHBondContact O-CG2 3.47Å; I308-V312 PolarHBondContact O-N 2.89Å
309	V	64.3	Low	70.2	Confident	123 Å²	123	97 Å²	97	75%	0.745	59%	0.592	S	S	*	*	H	α-helix	trans	-61.5	-41.8	173.4	-178.5	0	0	0	0	112.6	P307 A313	P307-V309 PolarHBondContact O-N 2.99Å; P307-V309 VanDerWaalsContact O-N 3.14Å; V309-A313 VanDerWaalsContact O-CB 3.27Å; V309-A313 WeakPolarHBondContact O-CB 3.5Å; V309-A313 PolarHBondContact O-N 3.16Å
310	G	68.4	Low	70.1	Confident	45 Å²	45	93.4 Å²	93.4	46%	0.464	58%	0.581	S	S	.	*	H	α-helix	trans	-69.3	-38	179.2	0	0	0	0	0	113	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.3Å; P307-G310 PolarHBondContact O-N 3.45Å; I308-G310 PolarHBondContact O-N 3.01Å; G310-G314 PolarHBondContact O-N 3.49Å
311	I	74.9	Confident	70.4	Confident	92 Å²	92	94.7 Å²	94.7	47%	0.472	58%	0.583	S	S	.	*	H	α-helix	trans	-69.2	-44.1	176.4	-62	173.3	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.9Å; P307-I311 PolarHBondContact O-N 3.47Å; P307-I311 VanDerWaalsContact O-N 3.1Å; I308-I311 PolarHBondContact O-N 3.24Å; I311-G314 PolarHBondContact O-N 3.23Å; I311-L315 HydrophobicContact CG2-CD1 3.98Å; I311-L315 HydrophobicContact CG2-CG 4.47Å; I311-L315 WeakPolarHBondContact O-CB 3.4Å; I311-L315 WeakPolarHBondContact O-CG 3.5Å; I311-L315 PolarHBondContact O-N 3.41Å
312	V	77.3	Confident	71.3	Confident	92 Å²	92	92.8 Å²	92.8	56%	0.558	57%	0.574	S	S	*	*	H	α-helix	trans	-64.6	-43.3	177.8	172.3	0	0	0	0	111.2	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.29Å; I308-V312 WeakPolarHBondContact O-CB 3.46Å; I308-V312 WeakPolarHBondContact O-CG2 3.47Å; I308-V312 PolarHBondContact O-N 2.89Å; V312-L315 PolarHBondContact O-N 3.01Å; V312-A316 WeakPolarHBondContact O-CB 3.49Å; V312-A316 PolarHBondContact O-N 2.89Å
313	A	77.8	Confident	72.9	Confident	53 Å²	53	91.9 Å²	91.9	44%	0.438	56%	0.563	S	S	.	*	H	α-helix	trans	-63	-43.5	175.3	0	0	0	0	0	111.9	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.27Å; V309-A313 WeakPolarHBondContact O-CB 3.5Å; V309-A313 PolarHBondContact O-N 3.16Å; A313-A316 PolarHBondContact O-N 3.41Å; A313-V317 WeakPolarHBondContact O-CG2 3.37Å; A313-V317 PolarHBondContact O-N 2.83Å; A313-V317 VanDerWaalsContact O-N 3.07Å
314	G	83.1	Confident	74.7	Confident	34 Å²	34	89 Å²	89	35%	0.351	55%	0.553	S	S	.	*	H	α-helix	trans	-62.3	-43.5	177.4	0	0	0	0	0	113.3	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.49Å; I311-G314 PolarHBondContact O-N 3.23Å; G314-V317 PolarHBondContact O-N 3.07Å; G314-L318 PolarHBondContact O-N 3.45Å
315	L	86.9	Confident	76.5	Confident	111 Å²	111	86 Å²	86	58%	0.581	54%	0.541	S	S	*	.	H	α-helix	trans	-66.4	-38.3	176.9	-73	172	0	0	0	112.3	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 3.98Å; I311-L315 HydrophobicContact CG2-CG 4.47Å; I311-L315 WeakPolarHBondContact O-CB 3.4Å; I311-L315 WeakPolarHBondContact O-CG 3.5Å; I311-L315 PolarHBondContact O-N 3.41Å; V312-L315 PolarHBondContact O-N 3.01Å; L315-L318 PolarHBondContact O-N 3.05Å; L315-A319 WeakPolarHBondContact O-CB 3.31Å; L315-A319 PolarHBondContact O-N 3.28Å
316	A	85.1	Confident	77.8	Confident	53 Å²	53	82.2 Å²	82.2	44%	0.438	52%	0.524	S	S	.	.	H	α-helix	trans	-63.3	-42.9	175.9	0	0	0	0	0	111.8	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.49Å; V312-A316 PolarHBondContact O-N 2.89Å; A313-A316 PolarHBondContact O-N 3.41Å; A316-A319 PolarHBondContact O-N 2.66Å; A316-V320 WeakPolarHBondContact O-CG2 3.15Å; A316-V320 PolarHBondContact O-N 3.29Å
317	V	86.9	Confident	79.1	Confident	88 Å²	88	81.1 Å²	81.1	53%	0.533	52%	0.522	S	S	.	.	H	α-helix	trans	-63.8	-44.1	176.7	173.1	0	0	0	0	111.2	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.37Å; A313-V317 PolarHBondContact O-N 2.83Å; A313-V317 VanDerWaalsContact O-N 3.07Å; G314-V317 PolarHBondContact O-N 3.07Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 2.9Å; V317-V320 PolarHBondContact O-N 2.89Å; V317-L321 HydrophobicContact CG1-CD1 4.03Å; V317-L321 HydrophobicContact CG1-CG 4.45Å; V317-L321 WeakPolarHBondContact O-CG 3.21Å; V317-L321 PolarHBondContact O-N 3.06Å
318	L	86.5	Confident	80	Confident	114 Å²	114	81.1 Å²	81.1	60%	0.597	52%	0.52	S	S	*	.	H	α-helix	trans	-61	-41.4	176.6	-84.4	164.8	0	0	0	112.5	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 3.45Å; L315-L318 PolarHBondContact O-N 3.05Å; L318-L321 PolarHBondContact O-N 3.18Å; L318-A322 WeakPolarHBondContact O-CB 3.32Å; L318-A322 PolarHBondContact O-N 3.4Å
319	A	86.2	Confident	80.7	Confident	57 Å²	57	77.8 Å²	77.8	47%	0.471	51%	0.51	S	S	.	.	H	α-helix	trans	-63	-43.6	176.6	0	0	0	0	0	111.9	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.31Å; L315-A319 PolarHBondContact O-N 3.28Å; A316-A319 PolarHBondContact O-N 2.66Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 2.9Å; A319-A322 PolarHBondContact O-N 3.36Å; A319-V323 WeakPolarHBondContact O-CG2 3.5Å; A319-V323 PolarHBondContact O-N 2.91Å
320	V	86.7	Confident	81.3	Confident	88 Å²	88	75.9 Å²	75.9	53%	0.533	50%	0.499	S	S	.	.	H	α-helix	trans	-62.6	-44.1	176.8	172.2	0	0	0	0	111.2	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.15Å; A316-V320 PolarHBondContact O-N 3.29Å; V317-V320 PolarHBondContact O-N 2.89Å; V320-A322 PolarHBondContact O-N 2.71Å; V320-V323 PolarHBondContact O-N 2.73Å; V320-L324 HydrophobicContact CG1-CD1 3.94Å; V320-L324 WeakPolarHBondContact O-CG 3.17Å; V320-L324 PolarHBondContact O-N 3.18Å
321	L	85.8	Confident	81.5	Confident	105 Å²	105	77.5 Å²	77.5	55%	0.55	50%	0.499	S	S	.	.	H	α-helix	trans	-64.4	-39	177.9	-71.1	173.5	0	0	0	112.4	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 4.03Å; V317-L321 HydrophobicContact CG1-CG 4.45Å; V317-L321 WeakPolarHBondContact O-CG 3.21Å; V317-L321 PolarHBondContact O-N 3.06Å; L318-L321 PolarHBondContact O-N 3.18Å; L321-L324 PolarHBondContact O-N 3.4Å; L321-G325 PolarHBondContact O-N 3.07Å
322	A	84.6	Confident	81.3	Confident	66 Å²	66	79.3 Å²	79.3	55%	0.545	51%	0.507	S	S	.	.	H	α-helix	trans	-64.1	-42.4	176.1	0	0	0	0	0	112	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.32Å; L318-A322 PolarHBondContact O-N 3.4Å; A319-A322 PolarHBondContact O-N 3.36Å; V320-A322 PolarHBondContact O-N 2.71Å; A322-G325 PolarHBondContact O-N 2.72Å; A322-A326 WeakPolarHBondContact O-CB 3.47Å; A322-A326 PolarHBondContact O-N 3.03Å
323	V	83.9	Confident	80.8	Confident	94 Å²	94	79.1 Å²	79.1	57%	0.57	51%	0.509	S	S	*	.	H	α-helix	trans	-64.3	-45.6	176.2	173.2	0	0	0	0	110.9	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.5Å; A319-V323 PolarHBondContact O-N 2.91Å; V320-V323 PolarHBondContact O-N 2.73Å; V323-G325 PolarHBondContact O-N 3.28Å; V323-A326 PolarHBondContact O-N 3.3Å; V323-V327 HydrophobicContact CG1-CG2 4.49Å; V323-V327 VanDerWaalsContact O-CG2 3.31Å; V323-V327 WeakPolarHBondContact O-CG2 3.32Å; V323-V327 PolarHBondContact O-N 3.19Å
324	L	81.8	Confident	80.1	Confident	100 Å²	100	85.8 Å²	85.8	52%	0.524	52%	0.523	S	S	.	.	H	α-helix	trans	-61.4	-43.7	176.6	-73.7	169.2	0	0	0	111.7	V320 L321 A326 V327 V328	V320-L324 HydrophobicContact CG1-CD1 3.94Å; V320-L324 WeakPolarHBondContact O-CG 3.17Å; V320-L324 PolarHBondContact O-N 3.18Å; L321-L324 PolarHBondContact O-N 3.4Å; L324-A326 PolarHBondContact O-N 3.05Å; L324-V327 PolarHBondContact O-N 3.29Å; L324-V328 WeakPolarHBondContact O-CG2 3.41Å; L324-V328 PolarHBondContact O-N 2.88Å
325	G	82.2	Confident	79	Confident	42 Å²	42	94.3 Å²	94.3	43%	0.433	55%	0.545	S	S	.	.	H	α-helix	trans	-59.9	-43.2	175.4	0	0	0	0	0	112.7	L321 A322 V323 V328 A329	L321-G325 PolarHBondContact O-N 3.07Å; A322-G325 PolarHBondContact O-N 2.72Å; V323-G325 PolarHBondContact O-N 3.28Å; G325-V328 PolarHBondContact O-N 3.17Å; G325-A329 WeakPolarHBondContact O-CB 3.35Å; G325-A329 PolarHBondContact O-N 2.89Å
326	A	80.2	Confident	77.5	Confident	56 Å²	56	98.1 Å²	98.1	46%	0.463	56%	0.556	S	S	.	*	H	α-helix	trans	-64.4	-42.3	176.3	0	0	0	0	0	112.3	A322 V323 L324 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.47Å; A322-A326 PolarHBondContact O-N 3.03Å; V323-A326 PolarHBondContact O-N 3.3Å; L324-A326 PolarHBondContact O-N 3.05Å; A326-A329 PolarHBondContact O-N 2.95Å; A326-V330 VanDerWaalsContact O-CG2 3.31Å; A326-V330 WeakPolarHBondContact O-CG2 3.18Å; A326-V330 PolarHBondContact O-N 3.04Å
327	V	79.8	Confident	76	Confident	83 Å²	83	100.3 Å²	100.3	50%	0.503	57%	0.569	S	S	.	*	H	α-helix	trans	-62.9	-45.2	177	171.9	0	0	0	0	111	V323 L324 A329 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.49Å; V323-V327 VanDerWaalsContact O-CG2 3.31Å; V323-V327 WeakPolarHBondContact O-CG2 3.32Å; V323-V327 PolarHBondContact O-N 3.19Å; L324-V327 PolarHBondContact O-N 3.29Å; V327-A329 VanDerWaalsContact C-N 3.35Å; V327-A329 PolarHBondContact O-N 3.38Å; V327-V330 PolarHBondContact O-N 3.23Å; V327-V331 HydrophobicContact CG1-CG2 4.4Å; V327-V331 VanDerWaalsContact O-CG2 3.3Å; V327-V331 WeakPolarHBondContact O-CG2 3.22Å; V327-V331 PolarHBondContact O-N 2.93Å
328	V	78.1	Confident	74.2	Confident	86 Å²	86	104 Å²	104	52%	0.521	60%	0.598	S	S	.	*	H	α-helix	trans	-61.2	-44.3	176.7	172	0	0	0	0	110.9	L324 G325 V330 V331 M332	L324-V328 WeakPolarHBondContact O-CG2 3.41Å; L324-V328 PolarHBondContact O-N 2.88Å; G325-V328 PolarHBondContact O-N 3.17Å; V328-V330 PolarHBondContact O-N 3.46Å; V328-V331 PolarHBondContact O-N 3.48Å; V328-M332 HydrophobicContact CG1-CG 4.4Å; V328-M332 HydrophobicContact CG1-SD 4.19Å; V328-M332 WeakPolarHBondContact O-CB 3.39Å; V328-M332 WeakPolarHBondContact O-CG 3.29Å; V328-M332 PolarHBondContact O-N 3.06Å
329	A	74.4	Confident	73.5	Confident	51 Å²	51	103.5 Å²	103.5	42%	0.421	60%	0.598	S	S	.	*	H	α-helix	trans	-61	-43.6	177	0	0	0	0	0	112.2	G325 A326 V327 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.35Å; G325-A329 PolarHBondContact O-N 2.89Å; A326-A329 PolarHBondContact O-N 2.95Å; V327-A329 VanDerWaalsContact C-N 3.35Å; V327-A329 PolarHBondContact O-N 3.38Å; A329-M332 PolarHBondContact O-N 3.22Å; A329-C333 WeakPolarHBondContact O-CB 3.36Å; A329-C333 PolarHBondContact O-N 2.91Å; A329-C333 PolarHBondContact O-SG 2.8Å; A329-C333 VanDerWaalsContact O-SG 3.41Å
330	V	75.9	Confident	72.9	Confident	83 Å²	83	105.9 Å²	105.9	50%	0.503	61%	0.605	S	S	.	*	H	α-helix	trans	-64	-42.7	176.7	170.4	0	0	0	0	111.6	A326 V327 V328 C333 R334	A326-V330 VanDerWaalsContact O-CG2 3.31Å; A326-V330 WeakPolarHBondContact O-CG2 3.18Å; A326-V330 PolarHBondContact O-N 3.04Å; V327-V330 PolarHBondContact O-N 3.23Å; V328-V330 PolarHBondContact O-N 3.46Å; V330-C333 PolarHBondContact O-N 3.41Å; V330-R334 PolarHBondContact O-N 2.71Å
331	V	73.6	Confident	72.1	Confident	79 Å²	79	106.9 Å²	106.9	48%	0.479	61%	0.609	S	S	.	*	H	α-helix	trans	-65.3	-41.6	177.7	171	0	0	0	0	111.1	V327 V328 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.4Å; V327-V331 VanDerWaalsContact O-CG2 3.3Å; V327-V331 WeakPolarHBondContact O-CG2 3.22Å; V327-V331 PolarHBondContact O-N 2.93Å; V328-V331 PolarHBondContact O-N 3.48Å; V331-R334 PolarHBondContact O-N 3.09Å; V331-R335 PolarHBondContact O-N 3.31Å
332	M	71.2	Confident	71.3	Confident	131 Å²	131	107.1 Å²	107.1	65%	0.645	61%	0.613	S	S	*	*	H	α-helix	trans	-65.2	-40.9	175.6	-73.4	-171.6	72.7	0	0	112.2	V328 A329 R335 K336	V328-M332 HydrophobicContact CG1-CG 4.4Å; V328-M332 HydrophobicContact CG1-SD 4.19Å; V328-M332 WeakPolarHBondContact O-CB 3.39Å; V328-M332 WeakPolarHBondContact O-CG 3.29Å; V328-M332 PolarHBondContact O-N 3.06Å; A329-M332 PolarHBondContact O-N 3.22Å; M332-R335 PolarHBondContact O-N 3.27Å; M332-K336 PolarHBondContact O-N 2.62Å
333	C	66.3	Low	70.5	Confident	88 Å²	88	109.6 Å²	109.6	60%	0.595	62%	0.617	S	S	*	*	H	α-helix	trans	-62.6	-41.3	174.4	-77.5	0	0	0	0	111.9	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.36Å; A329-C333 PolarHBondContact O-N 2.91Å; A329-C333 PolarHBondContact O-SG 2.8Å; A329-C333 VanDerWaalsContact O-SG 3.41Å; V330-C333 PolarHBondContact O-N 3.41Å; C333-K336 PolarHBondContact O-N 3Å; C333-S337 PolarHBondContact O-N 3.28Å; C333-S337 PolarHBondContact O-OG 3.43Å
334	R	63.2	Low	69.6	Low	193 Å²	193	110.7 Å²	110.7	73%	0.728	62%	0.62	S	S	*	*	H	α-helix	trans	-67.9	-34.6	176.1	-77.6	-171.8	167.6	-178.7	-2.4	113.6	V330 V331 K336 S337	V330-R334 PolarHBondContact O-N 2.71Å; V331-R334 PolarHBondContact O-N 3.09Å; R334-K336 VanDerWaalsContact C-N 3.28Å; R334-K336 PolarHBondContact O-N 2.76Å; R334-S337 PolarHBondContact O-N 3.39Å; R334-S337 PolarHBondContact O-OG 3.16Å
335	R	59.2	Low	68.7	Low	213 Å²	213	111.4 Å²	111.4	80%	0.804	63%	0.627	S	S	*	*	H	α-helix	trans	-69.8	-23	174.2	-107.3	-175.3	172.4	179.3	-1.6	113.8	V331 M332	V331-R335 PolarHBondContact O-N 3.31Å; M332-R335 PolarHBondContact O-N 3.27Å
336	K	55.3	Low	67.7	Low	190 Å²	190	116.8 Å²	116.8	83%	0.826	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-6	180	-143.3	176.4	-174.2	-178.2	0	113.3	M332 C333 R334	M332-K336 PolarHBondContact O-N 2.62Å; C333-K336 PolarHBondContact O-N 3Å; R334-K336 VanDerWaalsContact C-N 3.28Å; R334-K336 PolarHBondContact O-N 2.76Å
337	S	53.6	Low	66.6	Low	100 Å²	100	121.8 Å²	121.8	70%	0.699	66%	0.657	S	S	*	*			trans	-118.4	14.4	-177.9	39.7	0	0	0	0	113.6	C333 R334	C333-S337 PolarHBondContact O-N 3.28Å; C333-S337 PolarHBondContact O-OG 3.43Å; R334-S337 PolarHBondContact O-N 3.39Å; R334-S337 PolarHBondContact O-OG 3.16Å
338	S	49	Very low	65.4	Low	165 Å²	165	125.4 Å²	125.4	100%	1.154	67%	0.671	S	S	*	*			trans	-118.2	0	166.1	-175.7	0	0	0	0	110.1

Retrieved 338 of 338 residues in 116.6 ms (Link to these results)

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