A0A090MEY3_HUMAN Loading...

HLA class I antigen

AlphaFold DB , UniProt , Accession A0A090MEY3, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	40.3	Very low	242 Å²	242	150.7 Å²	150.7	100%	1.192	78%	0.775	S	S	*	*				0	98.7	0	-75.9	164.1	154.4	0	0	108.5
2	R	33	Very low	40.4	Very low	253 Å²	253	150.1 Å²	150.1	96%	0.955	77%	0.773	S	S	*	*			trans	-115.1	106.1	169.1	-96.2	-177.8	173.4	166.4	-2.2	105.7	M4	R2-M4 PolarHBondContact O-N 3.28Å
3	V	36.3	Very low	40.2	Very low	143 Å²	143	147.6 Å²	147.6	87%	0.867	76%	0.761	S	S	*	*			trans	-75.6	109.3	174.1	178.6	0	0	0	0	106.4	A5	V3-A5 PolarHBondContact O-N 3.37Å
4	M	38.3	Very low	40.2	Very low	181 Å²	181	141.8 Å²	141.8	89%	0.892	74%	0.74	S	S	*	*			trans	-85.5	99.5	177.4	-158.7	165	67.8	0	0	107	R2	R2-M4 PolarHBondContact O-N 3.28Å
5	A	41.7	Very low	40	Very low	78 Å²	78	135.4 Å²	135.4	65%	0.645	72%	0.722	S	S	*	*			trans	-64.5	138.2	174.6	0	0	0	0	0	109.8	V3 R7	V3-A5 PolarHBondContact O-N 3.37Å; A5-R7 PolarHBondContact O-N 3.11Å
6	P	44.1	Very low	39.6	Very low	87 Å²	87	129.6 Å²	129.6	57%	0.565	70%	0.704	S	S	*	*			trans	-72.5	116.7	-175	28.9	-32.6	0	0	0	110.2	A8 L9	P6-A8 PolarHBondContact O-N 3.22Å; P6-L9 PolarHBondContact O-N 2.94Å; P6-L9 VanDerWaalsContact O-N 3.11Å
7	R	48.5	Very low	39.3	Very low	226 Å²	226	129.2 Å²	129.2	85%	0.853	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.6	-10	172.9	-93.7	177.9	164.5	166.1	-6	114.7	A5	A5-R7 PolarHBondContact O-N 3.11Å
8	A	45.5	Very low	39.1	Very low	71 Å²	71	126.4 Å²	126.4	59%	0.587	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-24.6	175.8	0	0	0	0	0	113.6	P6	P6-A8 PolarHBondContact O-N 3.22Å
9	L	40.7	Very low	39	Very low	118 Å²	118	127.8 Å²	127.8	62%	0.618	70%	0.703	S	S	*	*	H	α-helix	trans	-79.1	-22.7	-179.2	-119.7	92.6	0	0	0	113.5	P6	P6-L9 PolarHBondContact O-N 2.94Å; P6-L9 VanDerWaalsContact O-N 3.11Å
10	L	38.8	Very low	38.7	Very low	129 Å²	129	125.8 Å²	125.8	68%	0.675	70%	0.695	S	S	*	*	H	α-helix	trans	-77.4	-23.1	-178.7	-97.9	138.2	0	0	0	113.5
11	L	42.7	Very low	38.6	Very low	130 Å²	130	128.2 Å²	128.2	68%	0.681	70%	0.701	S	S	*	*	H	α-helix	trans	-82.6	-23.5	179	-76.4	165.2	0	0	0	113.5	L13 S14	L11-L13 VanDerWaalsContact C-N 3.34Å; L11-S14 WeakPolarHBondContact CA-OG 3.42Å; L11-S14 PolarHBondContact O-OG 2.94Å
12	L	41.5	Very low	38.9	Very low	143 Å²	143	121.7 Å²	121.7	75%	0.749	68%	0.675	S	S	*	*	H	α-helix	trans	-76.6	-23.6	175.4	-73.6	164.9	0	0	0	112.4
13	L	37.9	Very low	39.7	Very low	118 Å²	118	116.4 Å²	116.4	62%	0.618	66%	0.656	S	S	*	*	H	α-helix	trans	-82.6	-23.8	175.2	-73.9	162.4	0	0	0	112.9	L11 L17	L11-L13 VanDerWaalsContact C-N 3.34Å; L13-L17 WeakPolarHBondContact O-CD1 3.36Å; L13-L17 WeakPolarHBondContact O-CG 3.26Å; L13-L17 PolarHBondContact O-N 2.61Å
14	S	40.1	Very low	40.5	Very low	66 Å²	66	111.5 Å²	111.5	46%	0.462	63%	0.63	S	S	.	*	H	α-helix	trans	-78.1	-25.2	174.2	44.7	0	0	0	0	113.8	L11	L11-S14 WeakPolarHBondContact CA-OG 3.42Å; L11-S14 PolarHBondContact O-OG 2.94Å
15	G	37.2	Very low	42.3	Very low	46 Å²	46	105.3 Å²	105.3	47%	0.474	60%	0.604	S	S	.	*	H	α-helix	trans	-76.1	-29.7	175.5	0	0	0	0	0	113.7
16	G	33.1	Very low	44.6	Very low	42 Å²	42	105.1 Å²	105.1	43%	0.433	60%	0.598	S	S	.	*	H	α-helix	trans	-78.6	-29.6	175.9	0	0	0	0	0	113.8
17	L	35.1	Very low	47.1	Very low	123 Å²	123	102.3 Å²	102.3	64%	0.644	58%	0.577	S	S	*	*	H	α-helix	trans	-76.5	-19	179.7	-79.4	163.6	0	0	0	113.8	L13	L13-L17 WeakPolarHBondContact O-CD1 3.36Å; L13-L17 WeakPolarHBondContact O-CG 3.26Å; L13-L17 PolarHBondContact O-N 2.61Å
18	A	36.3	Very low	49.4	Very low	80 Å²	80	92.7 Å²	92.7	66%	0.661	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-19.3	177	0	0	0	0	0	113.4
19	L	36.2	Very low	52	Low	152 Å²	152	89.4 Å²	89.4	80%	0.796	52%	0.517	S	S	*	.	S	Bend	trans	-94.2	-3.8	177.3	-88.4	149.2	0	0	0	113
20	T	32.8	Very low	54.7	Low	88 Å²	88	86.1 Å²	86.1	54%	0.54	50%	0.496	S	S	.	.			trans	-118.4	27.9	178.2	64.6	0	0	0	0	111.8	T22	T20-T22 PolarHBondContact O-N 2.93Å
21	E	37.4	Very low	57.6	Low	176 Å²	176	80.8 Å²	80.8	82%	0.822	47%	0.467	S	S	*	.	S	Bend	trans	-69	83.9	146	-105.2	-178.2	171.8	0	0	105.5	W23	E21-W23 PolarHBondContact O-N 2.92Å
22	T	40.1	Very low	60.2	Low	106 Å²	106	78.7 Å²	78.7	65%	0.65	45%	0.453	S	S	*	.			trans	-19.2	130.1	167.4	46.3	0	0	0	0	111.3	T20 A24	T20-T22 PolarHBondContact O-N 2.93Å; T22-A24 WeakPolarHBondContact O-CB 3.46Å; T22-A24 PolarHBondContact O-N 2.86Å; T22-A24 WeakPolarHBondContact OG1-CB 3.36Å
23	W	50.1	Low	63	Low	142 Å²	142	72.3 Å²	72.3	54%	0.538	42%	0.419	S	S	.	.			trans	-61.4	65.4	158	-70.4	24.2	0	0	0	108.7	E21 C25 H287 E288 L290	E21-W23 PolarHBondContact O-N 2.92Å; W23-C25 PolarHBondContact O-N 2.91Å; W23-H287 WeakPolarHBondContact CH2-O 3.4Å; W23-H287 WeakPolarHBondContact CZ3-O 3.35Å; W23-E288 HydrophobicContact CB-CG 4.37Å; W23-E288 HydrophobicContact CD2-CB 3.78Å; W23-E288 HydrophobicContact CD2-CG 3.87Å; W23-E288 HydrophobicContact CE3-CB 3.2Å; W23-E288 HydrophobicContact CE3-CG 3.28Å; W23-E288 HydrophobicContact CG-CG 4.42Å; W23-E288 HydrophobicContact CH2-CB 3.88Å; W23-E288 HydrophobicContact CZ2-CB 4.31Å; W23-E288 HydrophobicContact CZ3-CB 3.32Å; W23-E288 HydrophobicContact CZ3-CG 3.89Å; W23-E288 WeakPolarHBondContact CZ3-O 3.34Å; W23-L290 WeakPolarHBondContact CH2-O 3.14Å; W23-L290 WeakPolarHBondContact CZ3-O 3.29Å
24	A	53.6	Low	65.9	Low	40 Å²	40	68.6 Å²	68.6	33%	0.331	40%	0.402	S	S	.	.			trans	-91.3	98.1	176.9	0	0	0	0	0	100.9	T22 S26 P129	T22-A24 WeakPolarHBondContact O-CB 3.46Å; T22-A24 PolarHBondContact O-N 2.86Å; T22-A24 WeakPolarHBondContact OG1-CB 3.36Å; A24-S26 PolarHBondContact O-N 3.03Å; A24-S26 VanDerWaalsContact O-N 3.1Å; A24-P129 HydrophobicContact CB-CB 3.39Å; A24-P129 HydrophobicContact CB-CG 3.25Å; A24-P129 VanDerWaalsContact O-CG 3.27Å; A24-P129 WeakPolarHBondContact O-CG 3.44Å
25	C	74.2	Confident	68.7	Low	51 Å²	51	65.5 Å²	65.5	35%	0.345	38%	0.38	S	S	.	.			trans	-64.7	115.2	-168	-50.6	0	0	0	0	108.7	W23 E288	W23-C25 PolarHBondContact O-N 2.91Å; C25-E288 PolarHBondContact SG-OE1 3.09Å
26	S	91.4	Very high	71.6	Confident	73 Å²	73	65.7 Å²	65.7	51%	0.51	37%	0.372	S	S	.	.			trans	-73.6	145.4	162.9	55	0	0	0	0	108.8	A24 L127	A24-S26 PolarHBondContact O-N 3.03Å; A24-S26 VanDerWaalsContact O-N 3.1Å; S26-L127 WeakPolarHBondContact CA-O 3.39Å; S26-L127 VanDerWaalsContact CB-O 3.3Å; S26-L127 WeakPolarHBondContact CB-O 3.27Å
27	H	95.7	Very high	74.6	Confident	29 Å²	29	64.6 Å²	64.6	13%	0.134	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	151.5	176.3	-68.2	-76.8	0	0	0	110.3	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.26Å; H27-D53 WeakPolarHBondContact CA-OD1 3.47Å; H27-D53 IonicContact CE1-OD2 2.61Å; H27-D53 IonicContact CG-OD2 3.94Å; H27-D53 IonicContact ND1-OD1 3.96Å; H27-D53 IonicContact ND1-OD2 2.94Å; H27-D53 PolarHBondContact ND1-OD2 3.09Å; H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.14Å; H27-L127 PolarHBondContact N-O 2.89Å; H27-L127 VanDerWaalsContact N-O 3.12Å; H27-L127 PolarHBondContact O-N 3.27Å; H27-L192 HydrophobicContact CB-CD1 4.46Å; H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 3.99Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.35Å
28	S	97.6	Very high	77.5	Confident	24 Å²	24	62.3 Å²	62.3	17%	0.168	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	149.6	-179.1	66.2	0	0	0	0	111.4	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.51Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.07Å; S28-D53 PolarHBondContact N-OD1 2.97Å; S28-D53 PolarHBondContact O-N 3.28Å; S28-D53 PolarHBondContact OG-OD1 3.14Å; S28-C125 WeakPolarHBondContact CA-O 3.39Å; S28-D126 WeakPolarHBondContact CB-OD1 3.34Å
29	M	98.6	Very high	80.2	Confident	1 Å²	1	61 Å²	61	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	121.4	167.4	-175.7	171.7	62.4	0	0	108.2	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.32Å; M29-Y31 HydrophobicContact CG-CE2 4.15Å; M29-Y31 HydrophobicContact SD-CE2 4.14Å; M29-Y51 CarbonylContact C-O 3.58Å; M29-Y51 WeakPolarHBondContact CA-O 3.41Å; M29-V52 HydrophobicContact CG-CG2 4.33Å; M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.3Å; M29-G124 CarbonylContact O-C 3.57Å; M29-G124 WeakPolarHBondContact O-CA 3.4Å; M29-C125 PolarHBondContact N-O 2.65Å; M29-C125 PolarHBondContact O-N 3.02Å; M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 WeakPolarHBondContact CE-O 3.44Å; M29-C188 WeakPolarHBondContact CE-SG 3.49Å; M29-W191 HydrophobicContact CE-CB 4.07Å; M29-W191 HydrophobicContact SD-CB 4.44Å; M29-L192 HydrophobicContact CB-CB 4.03Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.94Å; M29-L192 HydrophobicContact CB-CG 4.21Å; M29-L192 HydrophobicContact CE-CB 4.29Å; M29-L192 HydrophobicContact SD-CB 4.4Å; M29-Y195 HydrophobicContact SD-CD2 3.69Å; M29-Y195 HydrophobicContact SD-CE2 3.54Å; M29-Y195 VanDerWaalsContact SD-CE2 3.54Å
30	R	98.6	Very high	82.8	Confident	49 Å²	49	58 Å²	58	19%	0.185	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	134.7	-175.5	-56.2	-62.6	-177.6	73.9	1.9	110.8	F32 G50 Y51 S123 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.45Å; R30-F32 HydrophobicContact CB-CE2 3.64Å; R30-F32 HydrophobicContact CB-CZ 3.93Å; R30-G50 CarbonylContact O-C 3.57Å; R30-G50 WeakPolarHBondContact O-CA 3.49Å; R30-Y51 PolarHBondContact N-O 3.03Å; R30-Y51 PolarHBondContact O-N 3.34Å; R30-S123 WeakPolarHBondContact CA-O 3.45Å; R30-D126 IonicContact CZ-OD1 3.35Å; R30-D126 IonicContact NE-OD1 3.43Å; R30-D126 PolarHBondContact NE-OD1 3.1Å; R30-D126 VanDerWaalsContact NE-OD1 3.09Å; R30-D126 IonicContact NH2-OD1 3.12Å; R30-D126 PolarHBondContact NH2-OD1 2.98Å; R30-D126 IonicContact NH2-OD2 3.09Å; R30-D126 PolarHBondContact NH2-OD2 2.86Å; R30-Y137 PolarHBondContact NH2-OH 3.07Å
31	Y	98.7	Very high	85.6	Confident	18 Å²	18	63.9 Å²	63.9	7%	0.071	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	134.8	168.6	-70.2	-91.9	0	0	0	109.3	M29 V49 F57 V58 M122 S123	M29-Y31 HydrophobicContact CE-CE2 4.32Å; M29-Y31 HydrophobicContact CG-CE2 4.15Å; M29-Y31 HydrophobicContact SD-CE2 4.14Å; Y31-V49 CarbonylContact C-O 3.53Å; Y31-V49 WeakPolarHBondContact CA-O 3.21Å; Y31-F57 HydrophobicContact CE1-CZ 4.14Å; Y31-F57 HydrophobicContact CE2-CZ 4.48Å; Y31-F57 AromaticContact CZ-CZ 3.77Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.43Å; Y31-V58 HydrophobicContact CE1-CG2 3.9Å; Y31-M122 WeakPolarHBondContact O-CA 3.25Å; Y31-S123 PolarHBondContact N-O 3.24Å; Y31-S123 PolarHBondContact O-N 3.24Å
32	F	98.8	Very high	88.2	Confident	85 Å²	85	58.3 Å²	58.3	37%	0.373	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	111.4	176.3	-57.3	-92.8	0	0	0	109	R30 S48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.45Å; R30-F32 HydrophobicContact CB-CE2 3.64Å; R30-F32 HydrophobicContact CB-CZ 3.93Å; F32-S48 WeakPolarHBondContact O-CA 3.34Å; F32-V49 HydrophobicContact CB-CG2 3.87Å; F32-V49 HydrophobicContact CD2-CG2 4.33Å; F32-V49 PolarHBondContact N-O 3.2Å; F32-V49 PolarHBondContact O-N 2.9Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.16Å; F32-R121 WeakPolarHBondContact CA-O 3.36Å; F32-M122 HydrophobicContact CD1-CB 4.04Å; F32-M122 HydrophobicContact CD1-CG 3.7Å; F32-M122 HydrophobicContact CE1-CB 4.15Å; F32-M122 HydrophobicContact CE1-CG 3.4Å; F32-M122 HydrophobicContact CZ-CG 4.05Å
33	D	98.8	Very high	90.8	Very high	9 Å²	9	57.6 Å²	57.6	5%	0.048	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	138.8	175.6	-63.1	-33.3	0	0	0	109.1	F46 I47 S48 Q120 R121	D33-F46 HydrophobicContact CB-CE2 3.86Å; D33-F46 HydrophobicContact CB-CZ 4.09Å; D33-I47 CarbonylContact C-O 3.59Å; D33-I47 WeakPolarHBondContact CA-O 3.48Å; D33-S48 WeakPolarHBondContact OD1-CB 3.33Å; D33-S48 PolarHBondContact OD1-OG 2.87Å; D33-Q120 CarbonylContact O-C 3.51Å; D33-Q120 VanDerWaalsContact O-CA 3.29Å; D33-Q120 WeakPolarHBondContact O-CA 3.28Å; D33-R121 HydrophobicContact CB-CB 4.24Å; D33-R121 PolarHBondContact N-O 3.07Å; D33-R121 PolarHBondContact O-N 2.86Å; D33-R121 IonicContact OD2-NH1 3.99Å
34	T	98.9	Very high	93	Very high	40 Å²	40	52.1 Å²	52.1	25%	0.245	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	119.2	174	-60.3	0	0	0	0	110	V36 F46 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 4Å; T34-F46 WeakPolarHBondContact O-CA 3.35Å; T34-I47 PolarHBondContact N-O 3.22Å; T34-I47 PolarHBondContact O-N 3.2Å; T34-T118 HydrophobicContact CG2-CG2 4.09Å; T34-L119 WeakPolarHBondContact CA-O 3.39Å; T34-Q120 HydrophobicContact CG2-CG 4.13Å
35	A	98.7	Very high	95.2	Very high	2 Å²	2	54.5 Å²	54.5	2%	0.017	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124.7	174.1	0	0	0	0	0	110.3	R45 F46 D98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.58Å; A35-R45 VanDerWaalsContact CA-O 3.28Å; A35-R45 WeakPolarHBondContact CA-O 3.41Å; A35-F46 HydrophobicContact CB-CD2 4.26Å; A35-D98 HydrophobicContact CB-CB 3.67Å; A35-L102 HydrophobicContact CB-CD1 3.85Å; A35-T118 WeakPolarHBondContact O-CA 3.3Å; A35-L119 HydrophobicContact CB-CB 4.46Å; A35-L119 PolarHBondContact N-O 3.37Å; A35-L119 PolarHBondContact O-N 2.85Å
36	V	98.5	Very high	96.3	Very high	50 Å²	50	52.2 Å²	52.2	30%	0.303	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	115.9	-179.2	-172.7	0	0	0	0	109.5	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 4Å; V36-P44 CarbonylContact O-C 3.52Å; V36-P44 WeakPolarHBondContact O-CA 3.18Å; V36-P44 WeakPolarHBondContact O-CB 3.37Å; V36-R45 PolarHBondContact N-O 2.83Å; V36-R45 PolarHBondContact O-N 3.25Å; V36-H117 WeakPolarHBondContact CA-O 3.49Å; V36-T118 HydrophobicContact CG2-CG2 4.25Å
37	S	97.6	Very high	96.7	Very high	18 Å²	18	51.2 Å²	51.2	13%	0.126	28%	0.279	C	S	.	.			trans	-68.9	145.8	173.4	71.4	0	0	0	0	110.6	S116 H117	S37-S116 PolarHBondContact O-OG 3.47Å; S37-H117 PolarHBondContact N-O 3Å; S37-H117 PolarHBondContact OG-N 3.35Å; S37-H117 PolarHBondContact OG-O 3.24Å
38	R	95.6	Very high	96.8	Very high	75 Å²	75	49.8 Å²	49.8	28%	0.283	27%	0.272	S	S	.	.			trans	-138.4	74.8	-179.5	53.8	174.7	176.3	-160.7	-10.4	110.9	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.42Å; R38-R41 HydrophobicContact CB-CB 4.08Å; R38-R41 WeakPolarHBondContact CD-O 3.37Å; R38-R41 HydrophobicContact CG-CB 4.11Å; R38-R41 PolarHBondContact NE-O 3.48Å; R38-R41 VanDerWaalsContact NE-O 3.15Å; R38-R41 PolarHBondContact O-N 2.99Å; R38-E43 VanDerWaalsContact CZ-O 3.29Å; R38-E43 PolarHBondContact NE-O 2.81Å; R38-E43 PolarHBondContact NH2-O 3.08Å; R38-D63 IonicContact CZ-OD1 3.65Å; R38-D63 IonicContact CZ-OD2 2.75Å; R38-D63 IonicContact NH1-OD1 3.7Å; R38-D63 PolarHBondContact NH1-OD1 2.92Å; R38-D63 IonicContact NH1-OD2 3.69Å; R38-D63 PolarHBondContact NH1-OD2 3.14Å; R38-D63 IonicContact NH2-OD1 3.62Å; R38-D63 PolarHBondContact NH2-OD1 2.88Å; R38-D63 IonicContact NH2-OD2 3.88Å
39	P	91.7	Very high	96.9	Very high	52 Å²	52	50.1 Å²	50.1	34%	0.338	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	131.6	-178.1	-27.4	35.8	0	0	0	112.1	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.2Å; P39-E113 VanDerWaalsContact CB-O 3.31Å; P39-E113 WeakPolarHBondContact CB-O 3.25Å; P39-E113 WeakPolarHBondContact CG-O 3.43Å; P39-G115 VanDerWaalsContact CG-O 3.3Å; P39-G115 WeakPolarHBondContact CG-O 3.42Å
40	G	90.7	Very high	96.9	Very high	91 Å²	91	50 Å²	50	94%	0.938	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	0.1	-177.3	0	0	0	0	0	116.2	R38	R38-G40 PolarHBondContact O-N 3.42Å
41	R	92.8	Very high	96.9	Very high	211 Å²	211	51 Å²	51	80%	0.796	28%	0.277	S	S	*	.	S	Bend	trans	-122.6	22.5	-179.2	-58	-174.5	-178.7	-174.1	0.7	113.7	R38 P39	R38-R41 HydrophobicContact CB-CB 4.08Å; R38-R41 WeakPolarHBondContact CD-O 3.37Å; R38-R41 HydrophobicContact CG-CB 4.11Å; R38-R41 PolarHBondContact NE-O 3.48Å; R38-R41 VanDerWaalsContact NE-O 3.15Å; R38-R41 PolarHBondContact O-N 2.99Å; P39-R41 PolarHBondContact O-N 3.2Å
42	G	91.7	Very high	96.9	Very high	59 Å²	59	50.1 Å²	50.1	61%	0.608	27%	0.273	S	S	*	.	S	Bend	trans	96.1	-159.7	178.2	0	0	0	0	0	113.8
43	E	94.6	Very high	96.7	Very high	90 Å²	90	47.5 Å²	47.5	42%	0.421	26%	0.263	S	S	.	.	S	Bend	trans	-69.6	154.3	-177.6	-64.2	-58.4	164.4	0	0	112.6	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.29Å; R38-E43 PolarHBondContact NE-O 2.81Å; R38-E43 PolarHBondContact NH2-O 3.08Å; E43-R45 PolarHBondContact O-N 3.03Å; E43-R99 IonicContact OE1-CZ 3.32Å; E43-R99 IonicContact OE1-NE 2.76Å; E43-R99 IonicContact OE1-NH1 3.08Å; E43-R99 PolarHBondContact OE1-NH1 3.29Å; E43-R99 IonicContact OE1-NH2 3.09Å; E43-R99 PolarHBondContact OE1-NH2 2.92Å; E43-R99 WeakPolarHBondContact OE2-CD 3.04Å; E43-R99 IonicContact OE2-CZ 3.8Å; E43-R99 IonicContact OE2-NE 2.84Å; E43-R99 PolarHBondContact OE2-NE 3.48Å; E43-R99 IonicContact OE2-NH1 3.06Å; E43-R99 PolarHBondContact OE2-NH1 3.4Å; E43-R99 IonicContact OE2-NH2 3.42Å; E43-R99 PolarHBondContact OE2-NH2 3.42Å; E43-R99 VanDerWaalsContact OE2-NH2 3.08Å
44	P	97.1	Very high	96.6	Very high	27 Å²	27	50.1 Å²	50.1	18%	0.175	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-51.4	133.8	172.6	-25.4	34.6	0	0	0	111.7	V36 R99 L102	V36-P44 CarbonylContact O-C 3.52Å; V36-P44 WeakPolarHBondContact O-CA 3.18Å; V36-P44 WeakPolarHBondContact O-CB 3.37Å; P44-R99 HydrophobicContact CG-CB 4.38Å; P44-R99 HydrophobicContact CG-CG 4.18Å; P44-L102 HydrophobicContact CB-CD1 3.72Å; P44-L102 HydrophobicContact CG-CD1 3.9Å
45	R	98.3	Very high	96.5	Very high	90 Å²	90	49.7 Å²	49.7	34%	0.34	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	130.6	173.1	-176.8	-178.8	-176.9	-176.7	-1.1	108.3	A35 V36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.58Å; A35-R45 VanDerWaalsContact CA-O 3.28Å; A35-R45 WeakPolarHBondContact CA-O 3.41Å; V36-R45 PolarHBondContact N-O 2.83Å; V36-R45 PolarHBondContact O-N 3.25Å; E43-R45 PolarHBondContact O-N 3.03Å; R45-I47 HydrophobicContact CG-CG1 4.37Å; R45-D61 IonicContact CZ-OD1 3.06Å; R45-D61 IonicContact CZ-OD2 3.76Å; R45-D61 IonicContact NE-OD1 2.99Å; R45-D61 PolarHBondContact NE-OD1 2.91Å; R45-D61 IonicContact NE-OD2 2.96Å; R45-D61 IonicContact NH2-OD1 2.64Å; R45-D61 PolarHBondContact NH2-OD1 3.25Å; R45-D61 IonicContact NH2-OD2 2.74Å; R45-D61 PolarHBondContact NH2-OD2 2.8Å; R45-S62 WeakPolarHBondContact CA-OG 3.39Å; R45-D63 VanDerWaalsContact CD-OD2 3.29Å; R45-D63 WeakPolarHBondContact CD-OD2 3.49Å; R45-D63 HydrophobicContact CG-CB 4.39Å; R45-D63 IonicContact NE-OD2 3.72Å
46	F	98.8	Very high	96.5	Very high	3 Å²	3	52.2 Å²	52.2	1%	0.013	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.5	176.8	176.3	-92.4	0	0	0	110	D33 T34 A35 F60 S62 Q94 A95 D98	D33-F46 HydrophobicContact CB-CE2 3.86Å; D33-F46 HydrophobicContact CB-CZ 4.09Å; T34-F46 WeakPolarHBondContact O-CA 3.35Å; A35-F46 HydrophobicContact CB-CD2 4.26Å; F46-F60 AromaticContact CD1-CD1 3.69Å; F46-F60 HydrophobicContact CD1-CD1 3.69Å; F46-F60 AromaticContact CD1-CE1 3.79Å; F46-F60 HydrophobicContact CD1-CE1 3.79Å; F46-F60 AromaticContact CE1-CD1 3.91Å; F46-F60 HydrophobicContact CE1-CD1 3.91Å; F46-F60 HydrophobicContact CE1-CE1 4.29Å; F46-S62 PolarHBondContact N-OG 2.79Å; F46-S62 PolarHBondContact O-N 2.82Å; F46-S62 PolarHBondContact O-OG 2.91Å; F46-Q94 HydrophobicContact CE2-CB 4.26Å; F46-Q94 HydrophobicContact CE2-CG 3.76Å; F46-Q94 HydrophobicContact CZ-CB 3.92Å; F46-Q94 HydrophobicContact CZ-CG 3.73Å; F46-A95 HydrophobicContact CB-CB 3.67Å; F46-A95 HydrophobicContact CD1-CB 3.73Å; F46-A95 HydrophobicContact CD2-CB 4.09Å; F46-A95 HydrophobicContact CE1-CB 4.4Å; F46-A95 HydrophobicContact CG-CB 3.55Å; F46-D98 VanDerWaalsContact CE2-OD2 3.22Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.46Å
47	I	98.8	Very high	96.5	Very high	52 Å²	52	49.9 Å²	49.9	27%	0.267	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	133.2	174.8	-58.2	174.3	0	0	0	107.4	D33 T34 R45 V49 F60	D33-I47 CarbonylContact C-O 3.59Å; D33-I47 WeakPolarHBondContact CA-O 3.48Å; T34-I47 PolarHBondContact N-O 3.22Å; T34-I47 PolarHBondContact O-N 3.2Å; R45-I47 HydrophobicContact CG-CG1 4.37Å; I47-V49 HydrophobicContact CG2-CG1 4.37Å; I47-F60 WeakPolarHBondContact CA-O 3.03Å
48	S	98.8	Very high	96.5	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.4	170.3	165.3	0	0	0	0	109.4	F32 D33 R59 F60 Y91	F32-S48 WeakPolarHBondContact O-CA 3.34Å; D33-S48 WeakPolarHBondContact OD1-CB 3.33Å; D33-S48 PolarHBondContact OD1-OG 2.87Å; S48-R59 CarbonylContact O-C 3.6Å; S48-R59 WeakPolarHBondContact O-CA 3.38Å; S48-F60 PolarHBondContact N-O 2.68Å; S48-F60 PolarHBondContact O-N 3.09Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.31Å
49	V	98.8	Very high	96.6	Very high	30 Å²	30	49.5 Å²	49.5	18%	0.182	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	138.4	172.4	-63.1	0	0	0	0	110.1	Y31 F32 I47 Y51 V58 R59	Y31-V49 CarbonylContact C-O 3.53Å; Y31-V49 WeakPolarHBondContact CA-O 3.21Å; F32-V49 HydrophobicContact CB-CG2 3.87Å; F32-V49 HydrophobicContact CD2-CG2 4.33Å; F32-V49 PolarHBondContact N-O 3.2Å; F32-V49 PolarHBondContact O-N 2.9Å; I47-V49 HydrophobicContact CG2-CG1 4.37Å; V49-Y51 HydrophobicContact CB-CE2 4.13Å; V49-Y51 HydrophobicContact CG2-CD2 4.38Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; V49-V58 WeakPolarHBondContact CA-O 3.32Å; V49-R59 HydrophobicContact CG1-CG 4.26Å
50	G	98.6	Very high	97	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	137.8	177.2	0	0	0	0	0	110.8	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.57Å; R30-G50 WeakPolarHBondContact O-CA 3.49Å; G50-Q56 WeakPolarHBondContact O-CA 3.45Å; G50-F57 WeakPolarHBondContact O-CD1 3.26Å; G50-F57 PolarHBondContact O-N 3.12Å; G50-V58 PolarHBondContact N-O 2.94Å; G50-V58 PolarHBondContact O-N 3.39Å
51	Y	98.6	Very high	97.3	Very high	69 Å²	69	43.6 Å²	43.6	27%	0.271	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	142	178.1	-76.2	-102.3	0	0	0	110.5	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.58Å; M29-Y51 WeakPolarHBondContact CA-O 3.41Å; R30-Y51 PolarHBondContact N-O 3.03Å; R30-Y51 PolarHBondContact O-N 3.34Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.16Å; V49-Y51 HydrophobicContact CB-CE2 4.13Å; V49-Y51 HydrophobicContact CG2-CD2 4.38Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; Y51-T55 WeakPolarHBondContact CA-O 3.17Å; Y51-T55 VanDerWaalsContact CD1-C 3.44Å; Y51-Q56 HydrophobicContact CD1-CB 4.03Å; Y51-Q56 VanDerWaalsContact CD1-N 3.27Å; Y51-Q56 HydrophobicContact CD2-CG 4.37Å; Y51-Q56 HydrophobicContact CE1-CB 3.53Å; Y51-Q56 HydrophobicContact CE1-CG 4.27Å; Y51-Q56 HydrophobicContact CE2-CB 4.07Å; Y51-Q56 HydrophobicContact CE2-CG 3.88Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å
52	V	98.3	Very high	97.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.7	155.5	176.6	0	0	0	0	105.8	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.51Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.07Å; M29-V52 HydrophobicContact CG-CG2 4.33Å; V52-D54 PolarHBondContact O-N 2.92Å; V52-T55 PolarHBondContact N-O 2.78Å; V52-T55 WeakPolarHBondContact O-CB 3.31Å; V52-T55 PolarHBondContact O-N 2.93Å; V52-F57 HydrophobicContact CG2-CD1 4.04Å; V52-F57 HydrophobicContact CG2-CE1 4.06Å; V52-W75 HydrophobicContact CB-CH2 4.37Å; V52-W75 HydrophobicContact CB-CZ2 4.45Å; V52-W75 HydrophobicContact CG2-CH2 3.85Å; V52-W75 HydrophobicContact CG2-CZ2 4.42Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.22Å; V52-Y195 HydrophobicContact CG2-CD2 3.96Å; V52-Y195 HydrophobicContact CG2-CG 4.44Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CB-CD1 4.28Å; V52-L203 HydrophobicContact CB-CD2 4.13Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CG1-CG 4.49Å
53	D	96.1	Very high	97.9	Very high	29 Å²	29	35.8 Å²	35.8	16%	0.155	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	-125.5	-167.4	-54.3	-42	0	0	0	110.5	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.26Å; H27-D53 WeakPolarHBondContact CA-OD1 3.47Å; H27-D53 IonicContact CE1-OD2 2.61Å; H27-D53 IonicContact CG-OD2 3.94Å; H27-D53 IonicContact ND1-OD1 3.96Å; H27-D53 IonicContact ND1-OD2 2.94Å; H27-D53 PolarHBondContact ND1-OD2 3.09Å; S28-D53 PolarHBondContact N-OD1 2.97Å; S28-D53 PolarHBondContact O-N 3.28Å; S28-D53 PolarHBondContact OG-OD1 3.14Å; D53-T55 VanDerWaalsContact C-N 3.32Å; D53-T55 PolarHBondContact O-N 2.81Å
54	D	95.9	Very high	98	Very high	64 Å²	64	33 Å²	33	34%	0.342	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	11.7	179.2	-63.1	-53.7	0	0	0	113.6	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.92Å; D54-Y233 HydrophobicContact CB-CE2 4.11Å; D54-P234 VanDerWaalsContact OD2-CB 3.29Å; D54-P234 WeakPolarHBondContact OD2-CB 3.46Å; D54-A235 HydrophobicContact CB-CB 4.33Å; D54-A235 VanDerWaalsContact OD2-CB 3.32Å; D54-A235 WeakPolarHBondContact OD2-CB 3.41Å; D54-A235 PolarHBondContact OD2-N 3.23Å; D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.7Å
55	T	96.9	Very high	98	Very high	32 Å²	32	37.3 Å²	37.3	20%	0.196	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	112.6	-175.8	-59.2	0	0	0	0	112.4	Y51 V52 D53 F57 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.17Å; Y51-T55 VanDerWaalsContact CD1-C 3.44Å; V52-T55 PolarHBondContact N-O 2.78Å; V52-T55 WeakPolarHBondContact O-CB 3.31Å; V52-T55 PolarHBondContact O-N 2.93Å; D53-T55 VanDerWaalsContact C-N 3.32Å; D53-T55 PolarHBondContact O-N 2.81Å; T55-F57 PolarHBondContact O-N 3.05Å; T55-L203 HydrophobicContact CG2-CD2 4.09Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.47Å; T55-Y233 PolarHBondContact OG1-OH 2.87Å; T55-Y233 VanDerWaalsContact OG1-OH 3.06Å
56	Q	97.8	Very high	97.9	Very high	55 Å²	55	36.9 Å²	36.9	26%	0.257	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	128.3	173.6	-166.2	-179.5	3	0	0	110.3	G50 Y51 V58 R72	G50-Q56 WeakPolarHBondContact O-CA 3.45Å; Y51-Q56 HydrophobicContact CD1-CB 4.03Å; Y51-Q56 VanDerWaalsContact CD1-N 3.27Å; Y51-Q56 HydrophobicContact CD2-CG 4.37Å; Y51-Q56 HydrophobicContact CE1-CB 3.53Å; Y51-Q56 HydrophobicContact CE1-CG 4.27Å; Y51-Q56 HydrophobicContact CE2-CB 4.07Å; Y51-Q56 HydrophobicContact CE2-CG 3.88Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å; Q56-V58 PolarHBondContact NE2-O 2.76Å; Q56-R72 HydrophobicContact CB-CB 4.48Å; Q56-R72 HydrophobicContact CG-CB 4.11Å; Q56-R72 HydrophobicContact CG-CG 4.33Å; Q56-R72 CarbonylContact O-C 3.57Å
57	F	98.2	Very high	97.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	-22.6	180	75.7	-82.6	0	0	0	114.1	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.3Å; Y31-F57 HydrophobicContact CE1-CZ 4.14Å; Y31-F57 HydrophobicContact CE2-CZ 4.48Å; Y31-F57 AromaticContact CZ-CZ 3.77Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.43Å; G50-F57 WeakPolarHBondContact O-CD1 3.26Å; G50-F57 PolarHBondContact O-N 3.12Å; V52-F57 HydrophobicContact CG2-CD1 4.04Å; V52-F57 HydrophobicContact CG2-CE1 4.06Å; T55-F57 PolarHBondContact O-N 3.05Å; F57-R72 PolarHBondContact O-N 2.85Å; F57-A73 HydrophobicContact CB-CB 4.1Å; F57-W75 HydrophobicContact CB-CH2 3.09Å; F57-W75 HydrophobicContact CB-CZ2 3.33Å; F57-W75 HydrophobicContact CB-CZ3 3.87Å; F57-W75 AromaticContact CD1-CH2 3.99Å; F57-W75 HydrophobicContact CD1-CH2 3.99Å; F57-W75 AromaticContact CD2-CH2 3.74Å; F57-W75 HydrophobicContact CD2-CH2 3.74Å; 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 4.08Å; F57-W75 HydrophobicContact CG-CZ3 4.05Å; F57-V76 HydrophobicContact CB-CG1 4.38Å; F57-V76 HydrophobicContact CD2-CB 4.35Å; F57-V76 HydrophobicContact CD2-CG1 4.49Å; F57-V76 HydrophobicContact CD2-CG2 4.09Å; F57-V76 VanDerWaalsContact O-CG1 3.25Å; F57-V76 WeakPolarHBondContact O-CG1 3.38Å; F57-Y195 HydrophobicContact CD2-CE2 4.42Å; F57-Y195 HydrophobicContact CE2-CD2 4.24Å; F57-Y195 AromaticContact CE2-CE2 3.59Å; F57-Y195 HydrophobicContact CE2-CE2 3.59Å; F57-Y195 AromaticContact CE2-CZ 3.76Å; F57-Y195 HydrophobicContact CZ-CD2 4.29Å; F57-Y195 AromaticContact CZ-CE2 3.74Å; F57-Y195 HydrophobicContact CZ-CE2 3.74Å
58	V	98.4	Very high	97.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153	177.3	-73.6	0	0	0	0	112.6	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG2 3.9Å; V49-V58 WeakPolarHBondContact CA-O 3.32Å; G50-V58 PolarHBondContact N-O 2.94Å; G50-V58 PolarHBondContact O-N 3.39Å; Q56-V58 PolarHBondContact NE2-O 2.76Å; V58-E70 WeakPolarHBondContact CA-O 3.33Å; V58-W84 HydrophobicContact CG1-CH2 3.9Å; V58-W84 HydrophobicContact CG1-CZ3 3.83Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.31Å
59	R	98.4	Very high	97.7	Very high	85 Å²	85	43.4 Å²	43.4	32%	0.321	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	146.5	170.6	179.8	173.8	169.5	179.1	-3.7	110.9	S48 V49 D61 E70 R72	S48-R59 CarbonylContact O-C 3.6Å; S48-R59 WeakPolarHBondContact O-CA 3.38Å; V49-R59 HydrophobicContact CG1-CG 4.26Å; R59-D61 IonicContact NH2-OD2 2.81Å; R59-D61 PolarHBondContact NH2-OD2 2.79Å; R59-D61 VanDerWaalsContact NH2-OD2 3.11Å; R59-E70 PolarHBondContact N-O 3.49Å; R59-E70 PolarHBondContact O-N 2.8Å; R59-R72 HydrophobicContact CB-CG 3.94Å
60	F	98.8	Very high	97.6	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	141.7	164.9	177.8	-85.4	0	0	0	109.3	F46 I47 S48 P67 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.69Å; F46-F60 HydrophobicContact CD1-CD1 3.69Å; F46-F60 AromaticContact CD1-CE1 3.79Å; F46-F60 HydrophobicContact CD1-CE1 3.79Å; F46-F60 AromaticContact CE1-CD1 3.91Å; F46-F60 HydrophobicContact CE1-CD1 3.91Å; F46-F60 HydrophobicContact CE1-CE1 4.29Å; I47-F60 WeakPolarHBondContact CA-O 3.03Å; S48-F60 PolarHBondContact N-O 2.68Å; S48-F60 PolarHBondContact O-N 3.09Å; F60-P67 HydrophobicContact CE2-CB 3.84Å; F60-P67 HydrophobicContact CZ-CB 3.66Å; F60-Y91 HydrophobicContact CB-CD1 4.22Å; F60-Y91 HydrophobicContact CB-CD2 3.56Å; F60-Y91 HydrophobicContact CB-CE2 3.99Å; F60-Y91 HydrophobicContact CB-CG 3.7Å; F60-Y91 HydrophobicContact CD1-CG 4.34Å; F60-Y91 AromaticContact CD2-CD2 3.64Å; F60-Y91 HydrophobicContact CD2-CD2 3.64Å; F60-Y91 AromaticContact CD2-CG 3.91Å; F60-Y91 HydrophobicContact CD2-CG 3.91Å; F60-Y91 AromaticContact CG-CD2 3.77Å; F60-Y91 HydrophobicContact CG-CD2 3.77Å; F60-Y91 AromaticContact CG-CG 3.73Å; F60-Y91 HydrophobicContact CG-CG 3.73Å; F60-K92 HydrophobicContact CE2-CG 4.37Å; F60-K92 HydrophobicContact CZ-CG 4.13Å
61	D	98.6	Very high	97.6	Very high	15 Å²	15	46.9 Å²	46.9	8%	0.08	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	119.9	176.2	-163.8	-27.4	0	0	0	109.3	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.06Å; R45-D61 IonicContact CZ-OD2 3.76Å; R45-D61 IonicContact NE-OD1 2.99Å; R45-D61 PolarHBondContact NE-OD1 2.91Å; R45-D61 IonicContact NE-OD2 2.96Å; R45-D61 IonicContact NH2-OD1 2.64Å; R45-D61 PolarHBondContact NH2-OD1 3.25Å; R45-D61 IonicContact NH2-OD2 2.74Å; R45-D61 PolarHBondContact NH2-OD2 2.8Å; R59-D61 IonicContact NH2-OD2 2.81Å; R59-D61 PolarHBondContact NH2-OD2 2.79Å; R59-D61 VanDerWaalsContact NH2-OD2 3.11Å; D61-D63 PolarHBondContact O-N 2.83Å; D61-D63 PolarHBondContact OD1-N 2.94Å; D61-D63 VanDerWaalsContact OD1-N 3.16Å; D61-A64 HydrophobicContact CB-CB 4.46Å; D61-A64 WeakPolarHBondContact O-CB 2.96Å; D61-A64 PolarHBondContact O-N 3.43Å
62	S	98.3	Very high	97.5	Very high	35 Å²	35	49 Å²	49	25%	0.245	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-22.1	-178.8	68.7	0	0	0	0	113.4	R45 F46 A64 P67	R45-S62 WeakPolarHBondContact CA-OG 3.39Å; F46-S62 PolarHBondContact N-OG 2.79Å; F46-S62 PolarHBondContact O-N 2.82Å; F46-S62 PolarHBondContact O-OG 2.91Å; S62-A64 VanDerWaalsContact C-N 3.34Å; S62-P67 WeakPolarHBondContact O-CG 3.43Å
63	D	97.5	Very high	97.4	Very high	71 Å²	71	49.2 Å²	49.2	38%	0.38	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-2.4	179.8	-79.6	4.3	0	0	0	112.7	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.65Å; R38-D63 IonicContact CZ-OD2 2.75Å; R38-D63 IonicContact NH1-OD1 3.7Å; R38-D63 PolarHBondContact NH1-OD1 2.92Å; R38-D63 IonicContact NH1-OD2 3.69Å; R38-D63 PolarHBondContact NH1-OD2 3.14Å; R38-D63 IonicContact NH2-OD1 3.62Å; R38-D63 PolarHBondContact NH2-OD1 2.88Å; R38-D63 IonicContact NH2-OD2 3.88Å; R45-D63 VanDerWaalsContact CD-OD2 3.29Å; R45-D63 WeakPolarHBondContact CD-OD2 3.49Å; R45-D63 HydrophobicContact CG-CB 4.39Å; R45-D63 IonicContact NE-OD2 3.72Å; D61-D63 PolarHBondContact O-N 2.83Å; D61-D63 PolarHBondContact OD1-N 2.94Å; D61-D63 VanDerWaalsContact OD1-N 3.16Å
64	A	97.2	Very high	97.4	Very high	32 Å²	32	52.7 Å²	52.7	26%	0.264	30%	0.295	S	S	.	.	S	Bend	trans	-62.1	149.4	172.9	0	0	0	0	0	111	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.46Å; D61-A64 WeakPolarHBondContact O-CB 2.96Å; D61-A64 PolarHBondContact O-N 3.43Å; S62-A64 VanDerWaalsContact C-N 3.34Å; A64-S66 PolarHBondContact O-N 2.91Å; A64-S66 VanDerWaalsContact O-N 3.16Å; A64-P67 VanDerWaalsContact O-CD 3.23Å; A64-P67 WeakPolarHBondContact O-CD 3.2Å; A64-P67 VanDerWaalsContact O-CG 3.29Å; A64-P67 WeakPolarHBondContact O-CG 3.37Å
65	A	96.6	Very high	97.4	Very high	118 Å²	118	50.4 Å²	50.4	98%	0.975	28%	0.282	S	S	*	.	S	Bend	trans	-58.8	-31.5	179.6	0	0	0	0	0	113.1
66	S	95.8	Very high	97.5	Very high	80 Å²	80	48.9 Å²	48.9	56%	0.559	27%	0.272	S	S	*	.	S	Bend	trans	-134.7	89.4	171.4	-173.6	0	0	0	0	109	A64 R68	A64-S66 PolarHBondContact O-N 2.91Å; A64-S66 VanDerWaalsContact O-N 3.16Å; S66-R68 PolarHBondContact O-N 2.9Å; S66-R68 VanDerWaalsContact O-N 3.11Å
67	P	97.1	Very high	97.4	Very high	35 Å²	35	52.1 Å²	52.1	23%	0.227	29%	0.287	C	S	.	.			trans	-64.5	112.3	-174.8	-24.1	35.2	0	0	0	112.2	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.84Å; F60-P67 HydrophobicContact CZ-CB 3.66Å; S62-P67 WeakPolarHBondContact O-CG 3.43Å; A64-P67 VanDerWaalsContact O-CD 3.23Å; A64-P67 WeakPolarHBondContact O-CD 3.2Å; A64-P67 VanDerWaalsContact O-CG 3.29Å; A64-P67 WeakPolarHBondContact O-CG 3.37Å; P67-K92 VanDerWaalsContact O-CE 3.28Å; P67-K92 WeakPolarHBondContact O-CE 3.35Å; P67-K92 PolarHBondContact O-NZ 2.94Å
68	R	97.8	Very high	97.2	Very high	151 Å²	151	58 Å²	58	57%	0.57	32%	0.315	S	S	*	.			trans	-146.2	160.5	177	62.2	-175.6	169.1	179.7	-1.3	110.7	S66 E70 T88	S66-R68 PolarHBondContact O-N 2.9Å; S66-R68 VanDerWaalsContact O-N 3.11Å; R68-E70 HydrophobicContact CG-CG 4.43Å; R68-E70 PolarHBondContact O-N 3.37Å; R68-T88 HydrophobicContact CB-CG2 4.2Å
69	G	97.4	Very high	97.1	Very high	6 Å²	6	58.5 Å²	58.5	6%	0.062	32%	0.317	C	S	.	.			trans	-64.4	130.3	168.4	0	0	0	0	0	109.7	T88	G69-T88 PolarHBondContact N-OG1 2.95Å
70	E	97.8	Very high	97	Very high	54 Å²	54	56 Å²	56	25%	0.252	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.1	-179.2	-64.2	177.3	161.3	0	0	109.8	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.33Å; R59-E70 PolarHBondContact N-O 3.49Å; R59-E70 PolarHBondContact O-N 2.8Å; R68-E70 HydrophobicContact CG-CG 4.43Å; R68-E70 PolarHBondContact O-N 3.37Å; E70-R72 IonicContact OE2-CZ 3.33Å; E70-R72 IonicContact OE2-NH2 2.71Å; E70-R72 PolarHBondContact OE2-NH2 2.96Å
71	P	98	Very high	96.9	Very high	49 Å²	49	60.6 Å²	60.6	32%	0.318	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	145.1	173.3	28.8	-33.9	0	0	0	110.7	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.77Å; P71-E77 HydrophobicContact CB-CG 3.7Å; P71-E77 HydrophobicContact CG-CG 3.94Å; P71-W84 HydrophobicContact CB-CH2 3.65Å; P71-W84 HydrophobicContact CB-CZ2 3.84Å; P71-W84 HydrophobicContact CG-CH2 4.26Å; P71-W84 HydrophobicContact CG-CZ2 4.26Å
72	R	97.5	Very high	96.8	Very high	114 Å²	114	67.7 Å²	67.7	43%	0.43	38%	0.381	S	S	.	.			trans	-127.3	-1.4	175.1	-60.6	-63.9	171.3	-176.4	-0.9	113.1	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.48Å; Q56-R72 HydrophobicContact CG-CB 4.11Å; Q56-R72 HydrophobicContact CG-CG 4.33Å; Q56-R72 CarbonylContact O-C 3.57Å; F57-R72 PolarHBondContact O-N 2.85Å; R59-R72 HydrophobicContact CB-CG 3.94Å; E70-R72 IonicContact OE2-CZ 3.33Å; E70-R72 IonicContact OE2-NH2 2.71Å; E70-R72 PolarHBondContact OE2-NH2 2.96Å
73	A	96.3	Very high	96.8	Very high	4 Å²	4	66.4 Å²	66.4	3%	0.033	37%	0.371	C	S	.	.	S	Bend	trans	-137.4	143.9	173	0	0	0	0	0	110.9	F57 W75 V76	F57-A73 HydrophobicContact CB-CB 4.1Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.13Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 3.98Å; A73-W75 PolarHBondContact O-N 3.48Å; A73-V76 WeakPolarHBondContact O-CG1 3.43Å; A73-V76 PolarHBondContact O-N 3.4Å
74	P	96.3	Very high	96.8	Very high	103 Å²	103	64.9 Å²	64.9	67%	0.669	36%	0.36	S	S	*	.	H	α-helix	trans	-58.2	-37.4	-177.4	-27	35.1	0	0	0	114	V76 E77	P74-V76 PolarHBondContact O-N 3.45Å; P74-E77 WeakPolarHBondContact O-CB 3.12Å; P74-E77 PolarHBondContact O-N 2.86Å; P74-E77 VanDerWaalsContact O-N 3.07Å
75	W	96	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	-69.8	-13.3	-176	53.2	-107.1	0	0	0	114.5	V52 F57 A73 Q78 Y195 N198 T202 L203	V52-W75 HydrophobicContact CB-CH2 4.37Å; V52-W75 HydrophobicContact CB-CZ2 4.45Å; V52-W75 HydrophobicContact CG2-CH2 3.85Å; V52-W75 HydrophobicContact CG2-CZ2 4.42Å; F57-W75 HydrophobicContact CB-CH2 3.09Å; F57-W75 HydrophobicContact CB-CZ2 3.33Å; F57-W75 HydrophobicContact CB-CZ3 3.87Å; F57-W75 AromaticContact CD1-CH2 3.99Å; F57-W75 HydrophobicContact CD1-CH2 3.99Å; F57-W75 AromaticContact CD2-CH2 3.74Å; F57-W75 HydrophobicContact CD2-CH2 3.74Å; 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 4.08Å; F57-W75 HydrophobicContact CG-CZ3 4.05Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.13Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 3.98Å; A73-W75 PolarHBondContact O-N 3.48Å; W75-Q78 WeakPolarHBondContact O-CG 3.45Å; W75-Q78 PolarHBondContact O-NE2 2.93Å; W75-Y195 HydrophobicContact CE3-CD1 4.22Å; W75-Y195 HydrophobicContact CE3-CG 4.47Å; W75-Y195 HydrophobicContact CH2-CG 4.14Å; W75-Y195 AromaticContact CZ3-CD1 3.57Å; W75-Y195 HydrophobicContact CZ3-CD1 3.57Å; W75-Y195 HydrophobicContact CZ3-CD2 4.31Å; W75-Y195 HydrophobicContact CZ3-CE1 4.29Å; W75-Y195 AromaticContact CZ3-CG 3.58Å; W75-Y195 HydrophobicContact CZ3-CG 3.58Å; W75-N198 HydrophobicContact CB-CB 4.39Å; W75-T202 VanDerWaalsContact CD1-OG1 3.24Å; W75-L203 HydrophobicContact CD2-CD1 4.4Å; W75-L203 HydrophobicContact CH2-CD1 4.34Å; W75-L203 HydrophobicContact CZ2-CD1 3.82Å; W75-L203 HydrophobicContact CZ2-CD2 4.09Å; W75-L203 HydrophobicContact CZ2-CG 4.38Å
76	V	97.3	Very high	96.9	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-95	-16.1	172.1	72	0	0	0	0	112.2	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.38Å; F57-V76 HydrophobicContact CD2-CB 4.35Å; F57-V76 HydrophobicContact CD2-CG1 4.49Å; F57-V76 HydrophobicContact CD2-CG2 4.09Å; F57-V76 VanDerWaalsContact O-CG1 3.25Å; F57-V76 WeakPolarHBondContact O-CG1 3.38Å; P71-V76 HydrophobicContact CB-CG1 3.77Å; A73-V76 WeakPolarHBondContact O-CG1 3.43Å; A73-V76 PolarHBondContact O-N 3.4Å; P74-V76 PolarHBondContact O-N 3.45Å; V76-Q78 PolarHBondContact O-N 3Å; V76-E79 HydrophobicContact CG2-CG 3.9Å; V76-E79 VanDerWaalsContact O-CB 3.32Å; V76-E79 WeakPolarHBondContact O-CB 3.42Å; V76-E79 WeakPolarHBondContact O-CG 3.42Å; V76-E79 PolarHBondContact O-N 2.97Å; V76-Y83 HydrophobicContact CG2-CE1 4.09Å; V76-W84 HydrophobicContact CG1-CH2 4.1Å; V76-W84 HydrophobicContact CG1-CZ2 4.34Å; V76-W84 HydrophobicContact CG2-CH2 3.96Å; V76-W84 HydrophobicContact CG2-CZ2 4.03Å; V76-W84 WeakPolarHBondContact O-CZ2 3.08Å; V76-Y195 HydrophobicContact CG2-CE1 4.38Å
77	E	95.6	Very high	96.9	Very high	122 Å²	122	64.4 Å²	64.4	57%	0.57	32%	0.322	S	S	*	.	H	α-helix	trans	-63.5	-26.5	-179.8	-65.5	-177.8	-177.4	0	0	112.7	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.7Å; P71-E77 HydrophobicContact CG-CG 3.94Å; P74-E77 WeakPolarHBondContact O-CB 3.12Å; P74-E77 PolarHBondContact O-N 2.86Å; P74-E77 VanDerWaalsContact O-N 3.07Å; E77-E79 PolarHBondContact O-N 2.04Å
78	Q	94.7	Very high	97	Very high	123 Å²	123	63.3 Å²	63.3	58%	0.575	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-10.7	175.4	66.2	-179.6	11.7	0	0	114.1	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.45Å; W75-Q78 PolarHBondContact O-NE2 2.93Å; V76-Q78 PolarHBondContact O-N 3Å; Q78-N198 VanDerWaalsContact NE2-CB 3.27Å; Q78-N198 PolarHBondContact NE2-ND2 3.12Å; Q78-N198 PolarHBondContact NE2-OD1 3.16Å
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	-66.2	135.5	174.9	-66.1	-61.8	159.8	0	0	111	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.9Å; V76-E79 VanDerWaalsContact O-CB 3.32Å; V76-E79 WeakPolarHBondContact O-CB 3.42Å; V76-E79 WeakPolarHBondContact O-CG 3.42Å; V76-E79 PolarHBondContact O-N 2.97Å; E77-E79 PolarHBondContact O-N 2.04Å; E79-Y83 HydrophobicContact CB-CD1 3.48Å; E79-Y83 VanDerWaalsContact CB-CD1 3.48Å; E79-Y83 HydrophobicContact CB-CE1 4.08Å; E79-Y83 HydrophobicContact CB-CG 3.75Å; E79-Y83 HydrophobicContact CG-CD1 4.03Å; E79-Y83 HydrophobicContact CG-CD2 4.48Å; E79-Y83 HydrophobicContact CG-CE1 4.22Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; E79-W84 PolarHBondContact O-NE1 3.24Å; E79-R194 IonicContact OE1-CZ 2.66Å; E79-R194 IonicContact OE1-NE 3.6Å; E79-R194 PolarHBondContact OE1-NE 3.16Å; E79-R194 IonicContact OE1-NH2 2.92Å; E79-R194 PolarHBondContact OE1-NH2 3.43Å; E79-R194 IonicContact OE2-CZ 3.58Å; E79-R194 IonicContact OE2-NE 3.35Å; E79-R194 IonicContact OE2-NH2 2.73Å; E79-R194 PolarHBondContact OE2-NH2 3.5Å; E79-N198 PolarHBondContact OE1-ND2 3.29Å
80	G	95.8	Very high	97	Very high	34 Å²	34	64 Å²	64	35%	0.351	32%	0.322	S	S	.	.			trans	-69.9	169.1	-174.7	0	0	0	0	0	114.3	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.81Å; G80-Y83 WeakPolarHBondContact O-CB 3.42Å; G80-Y83 PolarHBondContact O-N 2.88Å; G80-W84 PolarHBondContact O-N 3.18Å
81	P	96.8	Very high	97	Very high	99 Å²	99	62 Å²	62	64%	0.643	31%	0.312	S	S	*	.	H	α-helix	trans	-57.6	-35.2	-178.3	22.7	-33.5	0	0	0	113.3	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.83Å; P81-W84 PolarHBondContact O-N 2.7Å; P81-W84 VanDerWaalsContact O-N 3.16Å; P81-D85 WeakPolarHBondContact O-CB 3.2Å; P81-D85 PolarHBondContact O-N 2.84Å
82	E	97.3	Very high	97.1	Very high	164 Å²	164	63.6 Å²	63.6	77%	0.766	31%	0.314	S	S	*	.	H	α-helix	trans	-60.6	-35.1	177.7	-63	-178.2	178.5	0	0	113	G80 R86	G80-E82 PolarHBondContact O-N 2.81Å; E82-R86 VanDerWaalsContact O-CB 3.22Å; E82-R86 WeakPolarHBondContact O-CB 3.43Å; E82-R86 PolarHBondContact O-N 3Å
83	Y	97.3	Very high	97.1	Very high	8 Å²	8	65.5 Å²	65.5	3%	0.031	32%	0.321	C	S	.	.	H	α-helix	trans	-64.6	-52	174.3	168	-93	0	0	0	109.9	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.09Å; E79-Y83 HydrophobicContact CB-CD1 3.48Å; E79-Y83 VanDerWaalsContact CB-CD1 3.48Å; E79-Y83 HydrophobicContact CB-CE1 4.08Å; E79-Y83 HydrophobicContact CB-CG 3.75Å; E79-Y83 HydrophobicContact CG-CD1 4.03Å; E79-Y83 HydrophobicContact CG-CD2 4.48Å; E79-Y83 HydrophobicContact CG-CE1 4.22Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; G80-Y83 WeakPolarHBondContact O-CB 3.42Å; G80-Y83 PolarHBondContact O-N 2.88Å; P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.83Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 3.11Å; Y83-R86 PolarHBondContact O-N 3.29Å; Y83-E87 HydrophobicContact CD1-CG 4.37Å; Y83-E87 HydrophobicContact CD2-CG 4.07Å; Y83-E87 HydrophobicContact CE1-CG 3.99Å; Y83-E87 HydrophobicContact CE2-CG 3.63Å; Y83-E87 HydrophobicContact CG-CG 4.4Å; Y83-E87 WeakPolarHBondContact O-CG 3.39Å; Y83-E87 PolarHBondContact O-N 3.29Å; Y83-W191 AromaticContact CD2-CH2 3.47Å; Y83-W191 HydrophobicContact CD2-CH2 3.47Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.47Å; Y83-W191 HydrophobicContact CD2-CZ2 4.21Å; Y83-W191 AromaticContact CD2-CZ3 3.68Å; Y83-W191 HydrophobicContact CD2-CZ3 3.68Å; Y83-W191 HydrophobicContact CE2-CE3 4.15Å; Y83-W191 AromaticContact CE2-CH2 3.87Å; Y83-W191 HydrophobicContact CE2-CH2 3.87Å; Y83-W191 AromaticContact CE2-CZ3 3.65Å; Y83-W191 HydrophobicContact CE2-CZ3 3.65Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.39Å; Y83-Y195 PolarHBondContact OH-OH 2.04Å
84	W	97.9	Very high	97.2	Very high	39 Å²	39	67.7 Å²	67.7	15%	0.148	33%	0.331	C	S	.	.	H	α-helix	trans	-63.8	-38.5	-177.7	-67	111.8	0	0	0	113.1	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 3.9Å; V58-W84 HydrophobicContact CG1-CZ3 3.83Å; P71-W84 HydrophobicContact CB-CH2 3.65Å; P71-W84 HydrophobicContact CB-CZ2 3.84Å; P71-W84 HydrophobicContact CG-CH2 4.26Å; P71-W84 HydrophobicContact CG-CZ2 4.26Å; V76-W84 HydrophobicContact CG1-CH2 4.1Å; V76-W84 HydrophobicContact CG1-CZ2 4.34Å; V76-W84 HydrophobicContact CG2-CH2 3.96Å; V76-W84 HydrophobicContact CG2-CZ2 4.03Å; V76-W84 WeakPolarHBondContact O-CZ2 3.08Å; E79-W84 PolarHBondContact O-NE1 3.24Å; G80-W84 PolarHBondContact O-N 3.18Å; P81-W84 PolarHBondContact O-N 2.7Å; P81-W84 VanDerWaalsContact O-N 3.16Å; W84-T88 WeakPolarHBondContact O-CB 3.42Å; W84-T88 PolarHBondContact O-N 3.41Å; W84-T88 PolarHBondContact O-OG1 2.66Å
85	D	97.9	Very high	97.3	Very high	108 Å²	108	63.9 Å²	63.9	58%	0.578	31%	0.308	S	S	*	.	H	α-helix	trans	-64.4	-46.9	174.5	-75.4	-22.1	0	0	0	110.8	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.2Å; P81-D85 PolarHBondContact O-N 2.84Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 3.11Å; D85-T88 PolarHBondContact O-N 2.96Å; D85-Q89 VanDerWaalsContact O-CG 3.31Å; D85-Q89 WeakPolarHBondContact O-CG 3.38Å; D85-Q89 PolarHBondContact O-N 2.95Å
86	R	97.3	Very high	97.4	Very high	104 Å²	104	69.6 Å²	69.6	39%	0.392	34%	0.335	S	S	.	.	H	α-helix	trans	-62.6	-47	178.5	-175.3	-178.2	65.7	-142.5	-5.6	112.2	E82 Y83 Q89 K90	E82-R86 VanDerWaalsContact O-CB 3.22Å; E82-R86 WeakPolarHBondContact O-CB 3.43Å; E82-R86 PolarHBondContact O-N 3Å; Y83-R86 PolarHBondContact O-N 3.29Å; R86-Q89 PolarHBondContact O-N 3.45Å; R86-K90 WeakPolarHBondContact O-CG 3.49Å; R86-K90 PolarHBondContact O-N 3.4Å
87	E	97.4	Very high	97.4	Very high	9 Å²	9	71.6 Å²	71.6	4%	0.042	35%	0.352	C	S	.	.	H	α-helix	trans	-65.6	-41.8	178.6	-64.8	-43.1	117.4	0	0	111.1	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.37Å; Y83-E87 HydrophobicContact CD2-CG 4.07Å; Y83-E87 HydrophobicContact CE1-CG 3.99Å; Y83-E87 HydrophobicContact CE2-CG 3.63Å; Y83-E87 HydrophobicContact CG-CG 4.4Å; Y83-E87 WeakPolarHBondContact O-CG 3.39Å; Y83-E87 PolarHBondContact O-N 3.29Å; E87-Q89 VanDerWaalsContact C-N 3.3Å; E87-Q89 PolarHBondContact O-N 3.15Å; E87-K90 WeakPolarHBondContact O-CB 3.33Å; E87-K90 PolarHBondContact O-N 2.84Å; E87-K90 VanDerWaalsContact O-N 3.07Å; E87-K90 IonicContact OE1-NZ 3.22Å; E87-K90 PolarHBondContact OE1-NZ 3.36Å; E87-K90 WeakPolarHBondContact OE2-CD 3.3Å; E87-K90 IonicContact OE2-NZ 3.38Å; E87-K90 PolarHBondContact OE2-NZ 2.97Å; E87-Y91 HydrophobicContact CB-CE2 4.04Å; E87-Y91 WeakPolarHBondContact O-CD2 3.34Å; E87-Y91 PolarHBondContact O-N 3.08Å
88	T	98.3	Very high	97.5	Very high	12 Å²	12	66.2 Å²	66.2	7%	0.074	33%	0.327	C	S	.	.	H	α-helix	trans	-57.1	-43.3	173.9	-64.4	0	0	0	0	112	R68 G69 W84 D85 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.2Å; G69-T88 PolarHBondContact N-OG1 2.95Å; W84-T88 WeakPolarHBondContact O-CB 3.42Å; W84-T88 PolarHBondContact O-N 3.41Å; W84-T88 PolarHBondContact O-OG1 2.66Å; D85-T88 PolarHBondContact O-N 2.96Å; T88-Y91 PolarHBondContact O-N 3.29Å; T88-K92 HydrophobicContact CG2-CD 4.19Å; T88-K92 WeakPolarHBondContact O-CG 3.31Å; T88-K92 PolarHBondContact O-N 3.05Å
89	Q	98.3	Very high	97.6	Very high	103 Å²	103	65 Å²	65	48%	0.481	32%	0.317	S	S	.	.	H	α-helix	trans	-69.3	-32.1	177	-68.1	-59.4	-22.5	0	0	112.9	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.31Å; D85-Q89 WeakPolarHBondContact O-CG 3.38Å; D85-Q89 PolarHBondContact O-N 2.95Å; R86-Q89 PolarHBondContact O-N 3.45Å; E87-Q89 VanDerWaalsContact C-N 3.3Å; E87-Q89 PolarHBondContact O-N 3.15Å; Q89-R93 WeakPolarHBondContact O-CB 3.23Å; Q89-R93 WeakPolarHBondContact O-CG 3.38Å; Q89-R93 PolarHBondContact O-N 2.93Å; Q89-R93 PolarHBondContact O-NE 3.36Å
90	K	97.3	Very high	97.7	Very high	68 Å²	68	67.5 Å²	67.5	30%	0.296	33%	0.333	S	S	.	.	H	α-helix	trans	-63.6	-49	171.5	-73	171.9	178.1	173.4	0	111	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.49Å; R86-K90 PolarHBondContact O-N 3.4Å; E87-K90 WeakPolarHBondContact O-CB 3.33Å; E87-K90 PolarHBondContact O-N 2.84Å; E87-K90 VanDerWaalsContact O-N 3.07Å; E87-K90 IonicContact OE1-NZ 3.22Å; E87-K90 PolarHBondContact OE1-NZ 3.36Å; E87-K90 WeakPolarHBondContact OE2-CD 3.3Å; E87-K90 IonicContact OE2-NZ 3.38Å; E87-K90 PolarHBondContact OE2-NZ 2.97Å; K90-K92 VanDerWaalsContact C-N 3.34Å; K90-K92 PolarHBondContact O-N 3.47Å; K90-R93 PolarHBondContact O-N 3.43Å; K90-Q94 PolarHBondContact O-N 3.04Å
91	Y	98.4	Very high	97.8	Very high	11 Å²	11	68 Å²	68	4%	0.043	33%	0.331	C	S	.	.	H	α-helix	trans	-59.5	-42.9	177.5	-61.1	-48.9	0	0	0	112.4	S48 V58 F60 E87 T88 R93 Q94 A95	S48-Y91 WeakPolarHBondContact OG-CE1 3.31Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.31Å; F60-Y91 HydrophobicContact CB-CD1 4.22Å; F60-Y91 HydrophobicContact CB-CD2 3.56Å; F60-Y91 HydrophobicContact CB-CE2 3.99Å; F60-Y91 HydrophobicContact CB-CG 3.7Å; F60-Y91 HydrophobicContact CD1-CG 4.34Å; F60-Y91 AromaticContact CD2-CD2 3.64Å; F60-Y91 HydrophobicContact CD2-CD2 3.64Å; F60-Y91 AromaticContact CD2-CG 3.91Å; F60-Y91 HydrophobicContact CD2-CG 3.91Å; F60-Y91 AromaticContact CG-CD2 3.77Å; F60-Y91 HydrophobicContact CG-CD2 3.77Å; F60-Y91 AromaticContact CG-CG 3.73Å; F60-Y91 HydrophobicContact CG-CG 3.73Å; E87-Y91 HydrophobicContact CB-CE2 4.04Å; E87-Y91 WeakPolarHBondContact O-CD2 3.34Å; E87-Y91 PolarHBondContact O-N 3.08Å; T88-Y91 PolarHBondContact O-N 3.29Å; Y91-R93 PolarHBondContact O-N 2.99Å; Y91-Q94 PolarHBondContact O-N 2.92Å; Y91-A95 WeakPolarHBondContact O-CB 3.48Å; Y91-A95 PolarHBondContact O-N 3.29Å
92	K	98.3	Very high	97.8	Very high	84 Å²	84	63.6 Å²	63.6	37%	0.365	30%	0.303	S	S	.	.	H	α-helix	trans	-62.6	-40	176.7	-73.8	177.3	179.1	175.8	0	112.6	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.37Å; F60-K92 HydrophobicContact CZ-CG 4.13Å; P67-K92 VanDerWaalsContact O-CE 3.28Å; P67-K92 WeakPolarHBondContact O-CE 3.35Å; P67-K92 PolarHBondContact O-NZ 2.94Å; T88-K92 HydrophobicContact CG2-CD 4.19Å; T88-K92 WeakPolarHBondContact O-CG 3.31Å; T88-K92 PolarHBondContact O-N 3.05Å; K90-K92 VanDerWaalsContact C-N 3.34Å; K90-K92 PolarHBondContact O-N 3.47Å; K92-Q96 WeakPolarHBondContact O-CG 3.31Å; K92-Q96 PolarHBondContact O-N 3.29Å
93	R	98.2	Very high	97.8	Very high	154 Å²	154	62 Å²	62	58%	0.581	29%	0.289	S	S	*	.	H	α-helix	trans	-66.9	-41.8	174.7	-75.5	-174.9	-68.7	171.9	-0.8	111.8	Q89 K90 Y91 Q96 A97	Q89-R93 WeakPolarHBondContact O-CB 3.23Å; Q89-R93 WeakPolarHBondContact O-CG 3.38Å; Q89-R93 PolarHBondContact O-N 2.93Å; Q89-R93 PolarHBondContact O-NE 3.36Å; K90-R93 PolarHBondContact O-N 3.43Å; Y91-R93 PolarHBondContact O-N 2.99Å; R93-Q96 PolarHBondContact O-N 3.47Å; R93-A97 PolarHBondContact O-N 3.44Å
94	Q	98.2	Very high	97.8	Very high	49 Å²	49	64.8 Å²	64.8	23%	0.229	31%	0.305	C	S	.	.	H	α-helix	trans	-63.4	-45.1	176.7	-170.2	61.6	49.2	0	0	111.3	F46 K90 Y91 Q96 A97 D98	F46-Q94 HydrophobicContact CE2-CB 4.26Å; F46-Q94 HydrophobicContact CE2-CG 3.76Å; F46-Q94 HydrophobicContact CZ-CB 3.92Å; F46-Q94 HydrophobicContact CZ-CG 3.73Å; K90-Q94 PolarHBondContact O-N 3.04Å; Y91-Q94 PolarHBondContact O-N 2.92Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 3.41Å; Q94-A97 WeakPolarHBondContact O-CB 3.44Å; Q94-A97 PolarHBondContact O-N 2.91Å; Q94-D98 PolarHBondContact NE2-OD1 2.85Å; Q94-D98 PolarHBondContact O-N 3.49Å
95	A	98.3	Very high	97.8	Very high	23 Å²	23	63.2 Å²	63.2	19%	0.19	30%	0.299	C	S	.	.	H	α-helix	trans	-57.1	-40.3	175.9	0	0	0	0	0	112.7	F46 Y91 R99	F46-A95 HydrophobicContact CB-CB 3.67Å; F46-A95 HydrophobicContact CD1-CB 3.73Å; F46-A95 HydrophobicContact CD2-CB 4.09Å; F46-A95 HydrophobicContact CE1-CB 4.4Å; F46-A95 HydrophobicContact CG-CB 3.55Å; Y91-A95 WeakPolarHBondContact O-CB 3.48Å; Y91-A95 PolarHBondContact O-N 3.29Å; A95-R99 WeakPolarHBondContact O-CB 3.11Å; A95-R99 PolarHBondContact O-N 3.47Å
96	Q	97.9	Very high	97.7	Very high	136 Å²	136	61.2 Å²	61.2	64%	0.636	28%	0.284	S	S	*	.	H	α-helix	trans	-67.2	-42.3	174.7	-72.9	179.5	-8.1	0	0	112.3	K92 R93 Q94 R99 V100	K92-Q96 WeakPolarHBondContact O-CG 3.31Å; K92-Q96 PolarHBondContact O-N 3.29Å; R93-Q96 PolarHBondContact O-N 3.47Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 3.41Å; Q96-R99 PolarHBondContact O-N 3.34Å; Q96-V100 WeakPolarHBondContact O-CG2 2.76Å; Q96-V100 PolarHBondContact O-N 3.28Å
97	A	97.4	Very high	97.6	Very high	43 Å²	43	58.3 Å²	58.3	36%	0.355	29%	0.286	S	S	.	.	H	α-helix	trans	-61.2	-47.2	175.8	0	0	0	0	0	111	R93 Q94 R99 V100 S101	R93-A97 PolarHBondContact O-N 3.44Å; Q94-A97 WeakPolarHBondContact O-CB 3.44Å; Q94-A97 PolarHBondContact O-N 2.91Å; A97-R99 VanDerWaalsContact C-N 3.33Å; A97-R99 PolarHBondContact O-N 2.92Å; A97-V100 CarbonylContact O-C 3.54Å; A97-V100 WeakPolarHBondContact O-CA 3.45Å; A97-V100 WeakPolarHBondContact O-CB 3.16Å; A97-V100 PolarHBondContact O-N 2.89Å; A97-S101 PolarHBondContact O-N 2.86Å; A97-S101 PolarHBondContact O-OG 3.5Å; A97-S101 VanDerWaalsContact O-OG 3.14Å
98	D	98	Very high	97.6	Very high	8 Å²	8	60.7 Å²	60.7	4%	0.043	30%	0.295	C	S	.	.	H	α-helix	trans	-65.5	-35.4	-179.7	-73.3	-1	0	0	0	112.4	A35 F46 Q94 V100 S101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.67Å; F46-D98 VanDerWaalsContact CE2-OD2 3.22Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.46Å; Q94-D98 PolarHBondContact NE2-OD1 2.85Å; Q94-D98 PolarHBondContact O-N 3.49Å; D98-V100 VanDerWaalsContact C-N 3.3Å; D98-V100 PolarHBondContact O-N 2.62Å; D98-S101 PolarHBondContact O-N 2.83Å; D98-L102 WeakPolarHBondContact O-CB 3.46Å; D98-L102 WeakPolarHBondContact O-CG 3.48Å; D98-L102 PolarHBondContact O-N 3.17Å; D98-L119 HydrophobicContact CB-CD2 4.13Å
99	R	97.6	Very high	97.6	Very high	97 Å²	97	62.9 Å²	62.9	37%	0.366	30%	0.303	S	S	.	.	H	α-helix	trans	-59.3	-40.6	170.4	175.8	-170.8	168	169.3	11.6	112	E43 P44 A95 Q96 A97 R103	E43-R99 IonicContact OE1-CZ 3.32Å; E43-R99 IonicContact OE1-NE 2.76Å; E43-R99 IonicContact OE1-NH1 3.08Å; E43-R99 PolarHBondContact OE1-NH1 3.29Å; E43-R99 IonicContact OE1-NH2 3.09Å; E43-R99 PolarHBondContact OE1-NH2 2.92Å; E43-R99 WeakPolarHBondContact OE2-CD 3.04Å; E43-R99 IonicContact OE2-CZ 3.8Å; E43-R99 IonicContact OE2-NE 2.84Å; E43-R99 PolarHBondContact OE2-NE 3.48Å; E43-R99 IonicContact OE2-NH1 3.06Å; E43-R99 PolarHBondContact OE2-NH1 3.4Å; E43-R99 IonicContact OE2-NH2 3.42Å; E43-R99 PolarHBondContact OE2-NH2 3.42Å; E43-R99 VanDerWaalsContact OE2-NH2 3.08Å; P44-R99 HydrophobicContact CG-CB 4.38Å; P44-R99 HydrophobicContact CG-CG 4.18Å; A95-R99 WeakPolarHBondContact O-CB 3.11Å; A95-R99 PolarHBondContact O-N 3.47Å; Q96-R99 PolarHBondContact O-N 3.34Å; A97-R99 VanDerWaalsContact C-N 3.33Å; A97-R99 PolarHBondContact O-N 2.92Å; R99-R103 PolarHBondContact O-N 3.48Å; R99-R103 PolarHBondContact O-NE 3.4Å
100	V	97.4	Very high	97.4	Very high	64 Å²	64	65.2 Å²	65.2	39%	0.388	32%	0.318	S	S	.	.	H	α-helix	trans	-70.5	-43.2	175.9	175.8	0	0	0	0	110	Q96 A97 D98 L102 R103 N104	Q96-V100 WeakPolarHBondContact O-CG2 2.76Å; Q96-V100 PolarHBondContact O-N 3.28Å; A97-V100 CarbonylContact O-C 3.54Å; A97-V100 WeakPolarHBondContact O-CA 3.45Å; A97-V100 WeakPolarHBondContact O-CB 3.16Å; A97-V100 PolarHBondContact O-N 2.89Å; D98-V100 VanDerWaalsContact C-N 3.3Å; D98-V100 PolarHBondContact O-N 2.62Å; V100-L102 PolarHBondContact O-N 2.81Å; V100-R103 PolarHBondContact O-N 2.66Å; V100-N104 PolarHBondContact O-N 2.95Å
101	S	97.9	Very high	97.3	Very high	44 Å²	44	68.5 Å²	68.5	31%	0.308	33%	0.329	S	S	.	.	H	α-helix	trans	-59.5	-46.1	177.6	-63.1	0	0	0	0	112.2	A97 D98 R103 N104 L105	A97-S101 PolarHBondContact O-N 2.86Å; A97-S101 PolarHBondContact O-OG 3.5Å; A97-S101 VanDerWaalsContact O-OG 3.14Å; D98-S101 PolarHBondContact O-N 2.83Å; S101-R103 VanDerWaalsContact C-N 3.28Å; S101-R103 PolarHBondContact O-N 3.23Å; S101-N104 PolarHBondContact O-N 3.19Å; S101-N104 VanDerWaalsContact O-N 3.1Å; S101-L105 WeakPolarHBondContact O-CB 2.87Å; S101-L105 VanDerWaalsContact O-CG 3.23Å; S101-L105 WeakPolarHBondContact O-CG 3.33Å; S101-L105 PolarHBondContact O-N 2.88Å
102	L	98	Very high	97	Very high	8 Å²	8	71.5 Å²	71.5	4%	0.042	35%	0.351	C	S	.	.	H	α-helix	trans	-56.8	-40.5	175.6	-78.7	168.2	0	0	0	112.2	A35 P44 D98 V100 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.85Å; P44-L102 HydrophobicContact CB-CD1 3.72Å; P44-L102 HydrophobicContact CG-CD1 3.9Å; D98-L102 WeakPolarHBondContact O-CB 3.46Å; D98-L102 WeakPolarHBondContact O-CG 3.48Å; D98-L102 PolarHBondContact O-N 3.17Å; V100-L102 PolarHBondContact O-N 2.81Å; L102-R106 VanDerWaalsContact O-CB 3.31Å; L102-R106 WeakPolarHBondContact O-CB 3.38Å; L102-R106 PolarHBondContact O-N 3.38Å; L102-H117 HydrophobicContact CD2-CB 4.25Å; L102-L119 HydrophobicContact CD2-CB 3.69Å; L102-L119 HydrophobicContact CG-CB 4.06Å; L102-Y142 HydrophobicContact CD2-CE2 4.13Å
103	R	96.1	Very high	96.5	Very high	130 Å²	130	73.6 Å²	73.6	49%	0.491	36%	0.362	S	S	.	.	H	α-helix	trans	-66.7	-42.3	175.4	-74.2	-175.8	-76.1	166.3	-5.1	112.2	R99 V100 S101 G107	R99-R103 PolarHBondContact O-N 3.48Å; R99-R103 PolarHBondContact O-NE 3.4Å; V100-R103 PolarHBondContact O-N 2.66Å; S101-R103 VanDerWaalsContact C-N 3.28Å; S101-R103 PolarHBondContact O-N 3.23Å; R103-G107 PolarHBondContact O-N 2.95Å
104	N	97.1	Very high	96	Very high	66 Å²	66	73.1 Å²	73.1	35%	0.353	37%	0.371	S	S	.	.	H	α-helix	trans	-64.8	-47.4	177.7	-69.7	-22.8	0	0	0	111.6	V100 S101 R106 G107 Y108	V100-N104 PolarHBondContact O-N 2.95Å; S101-N104 PolarHBondContact O-N 3.19Å; S101-N104 VanDerWaalsContact O-N 3.1Å; N104-R106 PolarHBondContact O-N 3Å; N104-G107 CarbonylContact O-C 3.48Å; N104-G107 WeakPolarHBondContact O-CA 3.31Å; N104-G107 PolarHBondContact O-N 2.89Å; N104-Y108 HydrophobicContact CB-CE2 4.32Å; N104-Y108 WeakPolarHBondContact O-CD1 3.46Å; N104-Y108 PolarHBondContact O-N 3.49Å
105	L	97.8	Very high	95.8	Very high	6 Å²	6	71.8 Å²	71.8	3%	0.031	37%	0.371	C	S	.	.	H	α-helix	trans	-60.5	-45.5	179.5	-70.5	165.9	0	0	0	111.2	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 2.87Å; S101-L105 VanDerWaalsContact O-CG 3.23Å; S101-L105 WeakPolarHBondContact O-CG 3.33Å; S101-L105 PolarHBondContact O-N 2.88Å; L105-G107 PolarHBondContact O-N 2.85Å; L105-Y108 PolarHBondContact O-N 2.72Å; L105-Y108 VanDerWaalsContact O-N 3.11Å; L105-Y109 HydrophobicContact CD2-CE2 4.18Å; L105-Y109 VanDerWaalsContact O-CD2 3.28Å; L105-Y109 WeakPolarHBondContact O-CD2 3.39Å; L105-Y109 PolarHBondContact O-N 2.94Å; L105-L119 HydrophobicContact CD1-CD1 3.87Å; L105-L119 HydrophobicContact CD1-CD2 4.28Å; L105-Y142 HydrophobicContact CB-CD1 4.39Å; L105-Y142 HydrophobicContact CB-CD2 4.13Å; L105-Y142 HydrophobicContact CB-CE1 4.09Å; L105-Y142 HydrophobicContact CB-CE2 3.81Å; L105-Y142 HydrophobicContact CB-CG 4.4Å; L105-Y142 HydrophobicContact CD1-CD2 3.61Å; L105-Y142 HydrophobicContact CD1-CE2 4.03Å; L105-Y142 HydrophobicContact CD1-CG 4.02Å; L105-Y142 HydrophobicContact CD2-CG 4.49Å; L105-Y142 HydrophobicContact CG-CD2 4.38Å; L105-Y147 HydrophobicContact CD2-CD1 4.33Å; L105-Y147 HydrophobicContact CD2-CD2 4Å; L105-Y147 HydrophobicContact CD2-CE1 3.76Å; L105-Y147 HydrophobicContact CD2-CE2 3.37Å; L105-Y147 HydrophobicContact CD2-CG 4.44Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.05Å
106	R	96.1	Very high	95.7	Very high	67 Å²	67	74.3 Å²	74.3	25%	0.253	39%	0.387	S	S	.	.	H	α-helix	trans	-52.9	-42.9	173.1	-170.8	-173.8	65.7	171	10.6	111.6	L102 N104 N110 R111 E113	L102-R106 VanDerWaalsContact O-CB 3.31Å; L102-R106 WeakPolarHBondContact O-CB 3.38Å; L102-R106 PolarHBondContact O-N 3.38Å; N104-R106 PolarHBondContact O-N 3Å; R106-N110 PolarHBondContact O-N 2.76Å; R106-R111 HydrophobicContact CG-CB 3.78Å; R106-R111 PolarHBondContact O-N 3.45Å; R106-E113 IonicContact CZ-OE1 3.19Å; R106-E113 IonicContact NH1-OE1 2.77Å; R106-E113 PolarHBondContact NH1-OE1 3.34Å; R106-E113 IonicContact NH2-OE1 3.46Å; R106-E113 PolarHBondContact NH2-OE1 2.87Å
107	G	96.3	Very high	95.7	Very high	43 Å²	43	68.5 Å²	68.5	44%	0.443	36%	0.36	S	S	.	.	H	α-helix	trans	-66.5	-46.7	175.2	0	0	0	0	0	113.5	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.95Å; N104-G107 CarbonylContact O-C 3.48Å; N104-G107 WeakPolarHBondContact O-CA 3.31Å; N104-G107 PolarHBondContact O-N 2.89Å; L105-G107 PolarHBondContact O-N 2.85Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.37Å; G107-N110 PolarHBondContact O-N 3.41Å; G107-N110 VanDerWaalsContact O-N 3.1Å; G107-N110 PolarHBondContact O-OD1 3.28Å
108	Y	97.5	Very high	95.7	Very high	59 Å²	59	68.2 Å²	68.2	23%	0.231	35%	0.354	C	S	.	.	H	α-helix	trans	-61.6	-35.7	-179.3	-62.2	-14.6	0	0	0	112.7	N104 L105 I166 K170	N104-Y108 HydrophobicContact CB-CE2 4.32Å; N104-Y108 WeakPolarHBondContact O-CD1 3.46Å; N104-Y108 PolarHBondContact O-N 3.49Å; L105-Y108 PolarHBondContact O-N 2.72Å; L105-Y108 VanDerWaalsContact O-N 3.11Å; Y108-I166 HydrophobicContact CD1-CD1 4.13Å; Y108-I166 HydrophobicContact CD2-CD1 4.46Å; Y108-I166 HydrophobicContact CE1-CD1 4.48Å; Y108-I166 HydrophobicContact CE1-CG2 4.21Å; Y108-I166 HydrophobicContact CE2-CB 4.26Å; Y108-I166 HydrophobicContact CE2-CG2 4.04Å; Y108-I166 HydrophobicContact CG-CD1 4.16Å; Y108-K170 PolarHBondContact OH-NZ 3.1Å
109	Y	97.1	Very high	95.8	Very high	58 Å²	58	68.2 Å²	68.2	23%	0.227	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	6.7	178.4	-69.5	-72.2	0	0	0	114	L105 G107 R111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.18Å; L105-Y109 VanDerWaalsContact O-CD2 3.28Å; L105-Y109 WeakPolarHBondContact O-CD2 3.39Å; L105-Y109 PolarHBondContact O-N 2.94Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.37Å; Y109-R111 PolarHBondContact O-N 3.46Å; Y109-Y142 AromaticContact CD2-CD1 3.7Å; Y109-Y142 HydrophobicContact CD2-CD1 3.7Å; Y109-Y142 AromaticContact CD2-CE1 3.46Å; Y109-Y142 HydrophobicContact CD2-CE1 3.46Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.46Å; Y109-Y142 AromaticContact CE2-CD1 3.53Å; Y109-Y142 HydrophobicContact CE2-CD1 3.53Å; Y109-Y142 AromaticContact CE2-CE1 3.83Å; Y109-Y142 HydrophobicContact CE2-CE1 3.83Å; Y109-Y142 HydrophobicContact CG-CE1 4.29Å; Y109-Y147 HydrophobicContact CE2-CD2 4.3Å; Y109-Y147 HydrophobicContact CE2-CE2 4.01Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.43Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.26Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.5Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.3Å; Y109-D161 PolarHBondContact OH-OD1 2.88Å; Y109-D161 VanDerWaalsContact OH-OD1 3.08Å; Y109-D161 PolarHBondContact OH-OD2 3.04Å; Y109-A163 HydrophobicContact CD1-CB 4.17Å; Y109-A163 HydrophobicContact CD2-CB 4.37Å; Y109-A163 HydrophobicContact CE1-CB 3.63Å; Y109-A163 HydrophobicContact CE2-CB 3.84Å; Y109-A163 VanDerWaalsContact CZ-CB 3.45Å
110	N	95.4	Very high	95.8	Very high	151 Å²	151	67.4 Å²	67.4	81%	0.807	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	43.8	-177.9	-60.4	-49.5	0	0	0	113.1	R106 G107	R106-N110 PolarHBondContact O-N 2.76Å; G107-N110 PolarHBondContact O-N 3.41Å; G107-N110 VanDerWaalsContact O-N 3.1Å; G107-N110 PolarHBondContact O-OD1 3.28Å
111	R	93.7	Very high	95.9	Very high	137 Å²	137	66.5 Å²	66.5	52%	0.517	34%	0.344	S	S	.	.			trans	-83.7	154	-178.9	-62.2	-61.1	-169.2	-177.9	0	111.6	R106 Y109	R106-R111 HydrophobicContact CG-CB 3.78Å; R106-R111 PolarHBondContact O-N 3.45Å; Y109-R111 PolarHBondContact O-N 3.46Å
112	S	91.8	Very high	95.9	Very high	75 Å²	75	65.4 Å²	65.4	52%	0.524	33%	0.334	S	S	.	.			trans	-69.6	158.9	177.3	79.8	0	0	0	0	111.7	D114 G115	S112-D114 VanDerWaalsContact C-N 3.31Å; S112-G115 PolarHBondContact OG-N 3.28Å
113	E	87.9	Confident	95.9	Very high	127 Å²	127	65.3 Å²	65.3	59%	0.593	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-23.5	178	-59.2	-150.3	124	0	0	113.4	P39 R106 G115	P39-E113 VanDerWaalsContact CB-O 3.31Å; P39-E113 WeakPolarHBondContact CB-O 3.25Å; P39-E113 WeakPolarHBondContact CG-O 3.43Å; R106-E113 IonicContact CZ-OE1 3.19Å; R106-E113 IonicContact NH1-OE1 2.77Å; R106-E113 PolarHBondContact NH1-OE1 3.34Å; R106-E113 IonicContact NH2-OE1 3.46Å; R106-E113 PolarHBondContact NH2-OE1 2.87Å; E113-G115 VanDerWaalsContact C-N 3.3Å
114	D	89.4	Confident	96	Very high	144 Å²	144	59.1 Å²	59.1	77%	0.77	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-10.1	-177.4	-55.5	-42.6	0	0	0	112.9	S112	S112-D114 VanDerWaalsContact C-N 3.31Å
115	G	92.1	Very high	96.1	Very high	21 Å²	21	56 Å²	56	22%	0.216	29%	0.294	C	S	.	.			trans	-75.3	130.2	178.5	0	0	0	0	0	113.3	P39 S112 E113 H117	P39-G115 VanDerWaalsContact CG-O 3.3Å; P39-G115 WeakPolarHBondContact CG-O 3.42Å; S112-G115 PolarHBondContact OG-N 3.28Å; E113-G115 VanDerWaalsContact C-N 3.3Å; G115-H117 PolarHBondContact O-CD2 2.92Å; G115-H117 VanDerWaalsContact O-CD2 3.22Å
116	S	96.7	Very high	96.1	Very high	76 Å²	76	56.8 Å²	56.8	53%	0.531	30%	0.298	S	S	.	.			trans	-75.9	133.2	164.4	-178.9	0	0	0	0	109.3	S37	S37-S116 PolarHBondContact O-OG 3.47Å
117	H	98	Very high	96.2	Very high	14 Å²	14	53.8 Å²	53.8	7%	0.065	29%	0.287	C	S	.	.			trans	-134	150.1	-177.5	-66.9	-70.9	0	0	0	110.7	V36 S37 L102 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.49Å; S37-H117 PolarHBondContact N-O 3Å; S37-H117 PolarHBondContact OG-N 3.35Å; S37-H117 PolarHBondContact OG-O 3.24Å; L102-H117 HydrophobicContact CD2-CB 4.25Å; G115-H117 PolarHBondContact O-CD2 2.92Å; G115-H117 VanDerWaalsContact O-CD2 3.22Å; H117-Y142 HydrophobicContact CB-CE2 3.8Å; H117-Y142 AromaticContact CG-CZ 3.99Å; H117-Y142 AromaticContact ND1-CZ 3.82Å; H117-Y142 PolarHBondContact ND1-OH 2.84Å; H117-Y142 VanDerWaalsContact ND1-OH 3.13Å; H117-D143 VanDerWaalsContact CA-OD1 3.22Å; H117-D143 WeakPolarHBondContact CA-OD1 3.19Å; H117-D143 WeakPolarHBondContact CB-OD1 3.41Å; H117-D143 IonicContact CE1-OD2 2.74Å; H117-D143 IonicContact CG-OD1 2.65Å; H117-D143 IonicContact CG-OD2 3.31Å; H117-D143 IonicContact ND1-OD1 3.67Å; H117-D143 PolarHBondContact ND1-OD1 2.99Å; H117-D143 IonicContact ND1-OD2 3.52Å; H117-D143 PolarHBondContact ND1-OD2 3.17Å
118	T	98.6	Very high	96	Very high	38 Å²	38	52.1 Å²	52.1	23%	0.233	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	128.6	-175.6	-58.5	0	0	0	0	109.9	T34 A35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.09Å; A35-T118 WeakPolarHBondContact O-CA 3.3Å; V36-T118 HydrophobicContact CG2-CG2 4.25Å; T118-Q120 HydrophobicContact CG2-CG 3.89Å; T118-Y142 CarbonylContact O-C 3.6Å; T118-Y142 WeakPolarHBondContact O-CA 3.29Å; T118-Y142 WeakPolarHBondContact O-CD2 3.35Å; T118-D143 PolarHBondContact N-OD1 2.8Å; T118-D143 PolarHBondContact O-N 3.46Å
119	L	98.8	Very high	95.7	Very high	8 Å²	8	53.4 Å²	53.4	4%	0.042	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	127.5	169.2	175.1	62.3	0	0	0	108	T34 A35 D98 L102 L105	T34-L119 WeakPolarHBondContact CA-O 3.39Å; A35-L119 HydrophobicContact CB-CB 4.46Å; A35-L119 PolarHBondContact N-O 3.37Å; A35-L119 PolarHBondContact O-N 2.85Å; D98-L119 HydrophobicContact CB-CD2 4.13Å; L102-L119 HydrophobicContact CD2-CB 3.69Å; L102-L119 HydrophobicContact CG-CB 4.06Å; L105-L119 HydrophobicContact CD1-CD1 3.87Å; L105-L119 HydrophobicContact CD1-CD2 4.28Å
120	Q	98.8	Very high	95.3	Very high	79 Å²	79	55.6 Å²	55.6	37%	0.369	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	143.7	177.4	-63.5	172.1	-87.1	0	0	109.1	D33 T34 T118 S140 A141	D33-Q120 CarbonylContact O-C 3.51Å; D33-Q120 VanDerWaalsContact O-CA 3.29Å; D33-Q120 WeakPolarHBondContact O-CA 3.28Å; T34-Q120 HydrophobicContact CG2-CG 4.13Å; T118-Q120 HydrophobicContact CG2-CG 3.89Å; Q120-S140 CarbonylContact O-C 3.59Å; Q120-S140 WeakPolarHBondContact O-CA 3.37Å; Q120-A141 HydrophobicContact CB-CB 4.44Å; Q120-A141 PolarHBondContact N-O 2.96Å; Q120-A141 PolarHBondContact O-N 2.86Å
121	R	98.6	Very high	95	Very high	46 Å²	46	49.3 Å²	49.3	17%	0.174	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	135	172.1	175.6	170.8	171.2	-112.2	7.1	110	F32 D33 D138 Q139	F32-R121 WeakPolarHBondContact CA-O 3.36Å; D33-R121 HydrophobicContact CB-CB 4.24Å; D33-R121 PolarHBondContact N-O 3.07Å; D33-R121 PolarHBondContact O-N 2.86Å; D33-R121 IonicContact OD2-NH1 3.99Å; R121-D138 IonicContact CZ-OD1 3.84Å; R121-D138 VanDerWaalsContact CZ-OD1 3.25Å; R121-D138 IonicContact NE-OD1 3.08Å; R121-D138 PolarHBondContact NE-OD1 2.92Å; R121-D138 VanDerWaalsContact NE-OD1 3.09Å; R121-D138 IonicContact NE-OD2 2.84Å; R121-D138 PolarHBondContact NE-OD2 3.38Å; R121-D138 IonicContact NH2-OD1 2.78Å; R121-D138 PolarHBondContact NH2-OD1 2.73Å; R121-Q139 CarbonylContact C-O 3.53Å; R121-Q139 VanDerWaalsContact CA-O 3.29Å; R121-Q139 WeakPolarHBondContact CA-O 3.39Å
122	M	98.6	Very high	95	Very high	20 Å²	20	51 Å²	51	10%	0.099	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.5	169	-173.6	-79.6	-72.9	0	0	108.2	Y31 F32 Y137 D138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.25Å; F32-M122 HydrophobicContact CD1-CB 4.04Å; F32-M122 HydrophobicContact CD1-CG 3.7Å; F32-M122 HydrophobicContact CE1-CB 4.15Å; F32-M122 HydrophobicContact CE1-CG 3.4Å; F32-M122 HydrophobicContact CZ-CG 4.05Å; M122-Y137 HydrophobicContact CE-CD1 3.82Å; M122-Y137 HydrophobicContact CE-CG 3.89Å; M122-Y137 HydrophobicContact SD-CG 4.37Å; M122-D138 WeakPolarHBondContact O-CA 3.37Å; M122-Q139 HydrophobicContact CB-CG 4.06Å; M122-Q139 HydrophobicContact CE-CG 3.94Å; M122-Q139 PolarHBondContact N-O 2.83Å; M122-Q139 PolarHBondContact O-N 2.93Å
123	S	98.1	Very high	95.2	Very high	6 Å²	6	49.8 Å²	49.8	4%	0.042	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	150.7	174.2	64	0	0	0	0	110.9	R30 Y31 Y137	R30-S123 WeakPolarHBondContact CA-O 3.45Å; Y31-S123 PolarHBondContact N-O 3.24Å; Y31-S123 PolarHBondContact O-N 3.24Å; S123-Y137 VanDerWaalsContact CA-O 3.23Å; S123-Y137 WeakPolarHBondContact CA-O 3.42Å
124	G	98.3	Very high	95.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.7	-177.7	-178.1	0	0	0	0	0	114.7	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.57Å; M29-G124 WeakPolarHBondContact O-CA 3.4Å; G124-G136 CarbonylContact O-C 3.58Å; G124-G136 WeakPolarHBondContact O-CA 3.3Å; G124-Y137 PolarHBondContact N-O 3.37Å; G124-Y137 PolarHBondContact O-N 3.49Å; G124-L184 WeakPolarHBondContact O-CD2 3.28Å
125	C	98.4	Very high	96	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	149.1	-177.4	54.3	0	0	0	0	111.1	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.39Å; M29-C125 PolarHBondContact N-O 2.65Å; M29-C125 PolarHBondContact O-N 3.02Å; C125-L133 HydrophobicContact CB-CD1 3.56Å; C125-R135 CarbonylContact C-O 3.57Å; C125-R135 WeakPolarHBondContact CA-O 3.45Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.47Å; C125-C188 PolarHBondContact N-SG 3.23Å; C125-C188 WeakPolarHBondContact SG-CB 3.43Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.83Å
126	D	98.1	Very high	96.3	Very high	23 Å²	23	46.2 Å²	46.2	12%	0.123	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	136.4	173.2	-61.6	-3.9	0	0	0	108.7	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.14Å; S28-D126 WeakPolarHBondContact CB-OD1 3.34Å; R30-D126 IonicContact CZ-OD1 3.35Å; R30-D126 IonicContact NE-OD1 3.43Å; R30-D126 PolarHBondContact NE-OD1 3.1Å; R30-D126 VanDerWaalsContact NE-OD1 3.09Å; R30-D126 IonicContact NH2-OD1 3.12Å; R30-D126 PolarHBondContact NH2-OD1 2.98Å; R30-D126 IonicContact NH2-OD2 3.09Å; R30-D126 PolarHBondContact NH2-OD2 2.86Å; D126-L134 HydrophobicContact CB-CB 4.38Å; D126-L134 PolarHBondContact O-N 3.5Å; D126-R135 HydrophobicContact CB-CB 4.46Å; D126-R135 PolarHBondContact N-O 2.87Å; D126-R135 PolarHBondContact O-N 2.83Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.3Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.22Å; D126-Y137 PolarHBondContact OD2-OH 3.46Å; D126-Y137 VanDerWaalsContact OD2-OH 3.07Å
127	L	97	Very high	96.4	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	134.7	173.5	-56.4	-176.5	0	0	0	109.8	S26 H27 R132 V189 L192 R193	S26-L127 WeakPolarHBondContact CA-O 3.39Å; S26-L127 VanDerWaalsContact CB-O 3.3Å; S26-L127 WeakPolarHBondContact CB-O 3.27Å; H27-L127 PolarHBondContact N-O 2.89Å; H27-L127 VanDerWaalsContact N-O 3.12Å; H27-L127 PolarHBondContact O-N 3.27Å; L127-R132 CarbonylContact C-O 3.53Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.46Å; L127-V189 HydrophobicContact CD1-CG1 4.5Å; L127-V189 HydrophobicContact CD2-CB 4.13Å; L127-V189 HydrophobicContact CD2-CG1 3.75Å; L127-V189 HydrophobicContact CD2-CG2 3.8Å; L127-L192 HydrophobicContact CB-CD2 4.49Å; L127-L192 HydrophobicContact CD1-CB 4.24Å; L127-L192 HydrophobicContact CD1-CD2 3.7Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.2Å; L127-R193 HydrophobicContact CD1-CG 3.91Å
128	G	93.8	Very high	96.4	Very high	9 Å²	9	44.3 Å²	44.3	9%	0.093	22%	0.222	C	C	.	.			trans	-68.4	174.6	163.5	0	0	0	0	0	111.3	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.17Å; G128-G131 WeakPolarHBondContact O-CA 3.27Å; G128-G131 PolarHBondContact O-N 2.79Å; G128-R132 PolarHBondContact N-O 2.97Å
129	P	89.6	Confident	96.4	Very high	85 Å²	85	46.2 Å²	46.2	55%	0.552	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-21.3	-177.6	-16.8	31	0	0	0	113.7	A24 G131	A24-P129 HydrophobicContact CB-CB 3.39Å; A24-P129 HydrophobicContact CB-CG 3.25Å; A24-P129 VanDerWaalsContact O-CG 3.27Å; A24-P129 WeakPolarHBondContact O-CG 3.44Å; P129-G131 PolarHBondContact O-N 3.12Å
130	D	89.3	Confident	96.4	Very high	105 Å²	105	46.9 Å²	46.9	56%	0.561	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	3.2	171	69.3	-13.7	0	0	0	112.8	G128 R132	G128-D130 PolarHBondContact O-N 3.17Å; D130-R132 PolarHBondContact O-N 3.09Å; D130-R132 WeakPolarHBondContact OD1-CB 3.32Å; D130-R132 PolarHBondContact OD1-N 3.43Å; D130-R132 WeakPolarHBondContact OD2-CD 3.22Å; D130-R132 WeakPolarHBondContact OD2-CG 3.3Å; D130-R132 IonicContact OD2-NE 2.63Å
131	G	89.4	Confident	96.4	Very high	19 Å²	19	43.9 Å²	43.9	20%	0.196	22%	0.222	C	C	.	.	S	Bend	trans	72.3	9.6	-178.8	0	0	0	0	0	113.8	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.27Å; G128-G131 PolarHBondContact O-N 2.79Å; P129-G131 PolarHBondContact O-N 3.12Å; G131-R193 VanDerWaalsContact O-CZ 3.27Å; G131-R193 PolarHBondContact O-NE 3.1Å; G131-R193 PolarHBondContact O-NH2 3.4Å
132	R	93.9	Very high	96.4	Very high	171 Å²	171	42.2 Å²	42.2	65%	0.645	22%	0.216	S	C	*	.	S	Bend	trans	-88.8	154.8	179.1	-61.9	-173.5	-176	168.6	-2.1	111.2	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.53Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.46Å; G128-R132 PolarHBondContact N-O 2.97Å; D130-R132 PolarHBondContact O-N 3.09Å; D130-R132 WeakPolarHBondContact OD1-CB 3.32Å; D130-R132 PolarHBondContact OD1-N 3.43Å; D130-R132 WeakPolarHBondContact OD2-CD 3.22Å; D130-R132 WeakPolarHBondContact OD2-CG 3.3Å; D130-R132 IonicContact OD2-NE 2.63Å; R132-L134 PolarHBondContact O-N 2.89Å; R132-L134 VanDerWaalsContact O-N 3.11Å
133	L	96.8	Very high	96.3	Very high	50 Å²	50	44.1 Å²	44.1	26%	0.262	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	117.9	174.6	-176.9	72.7	0	0	0	109.7	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.56Å; L133-R135 WeakPolarHBondContact CD1-O 3.39Å; L133-L154 HydrophobicContact CD2-CD1 4.15Å; L133-E185 HydrophobicContact CD2-CB 4.37Å; L133-E185 HydrophobicContact CD2-CG 3.65Å; L133-V189 HydrophobicContact CB-CG2 4Å; L133-V189 HydrophobicContact CD1-CG2 4.04Å
134	L	96.4	Very high	96.3	Very high	122 Å²	122	46.6 Å²	46.6	64%	0.639	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	-46.3	170.2	-178.4	64.2	0	0	0	110	D126 R132	D126-L134 HydrophobicContact CB-CB 4.38Å; D126-L134 PolarHBondContact O-N 3.5Å; R132-L134 PolarHBondContact O-N 2.89Å; R132-L134 VanDerWaalsContact O-N 3.11Å
135	R	96.8	Very high	96.3	Very high	90 Å²	90	54.2 Å²	54.2	34%	0.34	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	144.4	-177.3	-172.8	161	170.4	144.1	11.1	112.2	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.57Å; C125-R135 WeakPolarHBondContact CA-O 3.45Å; D126-R135 HydrophobicContact CB-CB 4.46Å; D126-R135 PolarHBondContact N-O 2.87Å; D126-R135 PolarHBondContact O-N 2.83Å; L133-R135 WeakPolarHBondContact CD1-O 3.39Å; R135-Y137 HydrophobicContact CB-CE2 3.99Å; R135-Y137 VanDerWaalsContact CD-CZ 3.43Å; R135-Y137 WeakPolarHBondContact CD-OH 3.17Å; R135-Y137 HydrophobicContact CG-CD2 4.32Å; R135-Y137 HydrophobicContact CG-CE1 4.14Å; R135-Y137 HydrophobicContact CG-CE2 3.65Å; R135-Y137 PolarHBondContact NE-OH 2.63Å; R135-E152 VanDerWaalsContact CZ-CD 3.44Å; R135-E152 VanDerWaalsContact CZ-CG 3.45Å; R135-E152 IonicContact CZ-OE1 3.75Å; R135-E152 IonicContact NH1-OE1 3.25Å; R135-E152 PolarHBondContact NH1-OE1 3.49Å; R135-E152 IonicContact NH1-OE2 3.89Å; R135-E152 VanDerWaalsContact NH2-CG 3.25Å; R135-E152 IonicContact NH2-OE1 3.42Å; R135-E152 PolarHBondContact NH2-OE1 2.81Å
136	G	98.1	Very high	96.3	Very high	5 Å²	5	60.3 Å²	60.3	5%	0.052	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	151.2	170.8	0	0	0	0	0	111.3	G124	G124-G136 CarbonylContact O-C 3.58Å; G124-G136 WeakPolarHBondContact O-CA 3.3Å
137	Y	98.2	Very high	96.4	Very high	40 Å²	40	59.6 Å²	59.6	16%	0.157	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	137.4	-177.4	-58.3	-94.3	0	0	0	111	R30 M122 S123 G124 D126 R135	R30-Y137 PolarHBondContact NH2-OH 3.07Å; M122-Y137 HydrophobicContact CE-CD1 3.82Å; M122-Y137 HydrophobicContact CE-CG 3.89Å; M122-Y137 HydrophobicContact SD-CG 4.37Å; S123-Y137 VanDerWaalsContact CA-O 3.23Å; S123-Y137 WeakPolarHBondContact CA-O 3.42Å; G124-Y137 PolarHBondContact N-O 3.37Å; G124-Y137 PolarHBondContact O-N 3.49Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.3Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.22Å; D126-Y137 PolarHBondContact OD2-OH 3.46Å; D126-Y137 VanDerWaalsContact OD2-OH 3.07Å; R135-Y137 HydrophobicContact CB-CE2 3.99Å; R135-Y137 VanDerWaalsContact CD-CZ 3.43Å; R135-Y137 WeakPolarHBondContact CD-OH 3.17Å; R135-Y137 HydrophobicContact CG-CD2 4.32Å; R135-Y137 HydrophobicContact CG-CE1 4.14Å; R135-Y137 HydrophobicContact CG-CE2 3.65Å; R135-Y137 PolarHBondContact NE-OH 2.63Å
138	D	98.4	Very high	96.4	Very high	10 Å²	10	59.9 Å²	59.9	5%	0.053	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	107.4	160.9	-166.9	108.1	0	0	0	107.7	R121 M122 L150 L180	R121-D138 IonicContact CZ-OD1 3.84Å; R121-D138 VanDerWaalsContact CZ-OD1 3.25Å; R121-D138 IonicContact NE-OD1 3.08Å; R121-D138 PolarHBondContact NE-OD1 2.92Å; R121-D138 VanDerWaalsContact NE-OD1 3.09Å; R121-D138 IonicContact NE-OD2 2.84Å; R121-D138 PolarHBondContact NE-OD2 3.38Å; R121-D138 IonicContact NH2-OD1 2.78Å; R121-D138 PolarHBondContact NH2-OD1 2.73Å; M122-D138 WeakPolarHBondContact O-CA 3.37Å; D138-L150 HydrophobicContact CB-CB 4Å; D138-L150 HydrophobicContact CB-CD2 4.22Å; D138-L150 WeakPolarHBondContact O-CB 3.47Å; D138-L150 PolarHBondContact O-N 3.34Å; D138-L180 HydrophobicContact CB-CD1 4.24Å; D138-L180 WeakPolarHBondContact OD1-CD2 3.27Å
139	Q	98.6	Very high	96.7	Very high	79 Å²	79	60.8 Å²	60.8	37%	0.369	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	142.4	-177.6	64.5	-169.1	49.8	0	0	110.8	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.53Å; R121-Q139 VanDerWaalsContact CA-O 3.29Å; R121-Q139 WeakPolarHBondContact CA-O 3.39Å; M122-Q139 HydrophobicContact CB-CG 4.06Å; M122-Q139 HydrophobicContact CE-CG 3.94Å; M122-Q139 PolarHBondContact N-O 2.83Å; M122-Q139 PolarHBondContact O-N 2.93Å; Q139-I148 WeakPolarHBondContact CA-O 3.33Å; Q139-A149 HydrophobicContact CB-CB 3.84Å
140	S	98.7	Very high	97.1	Very high	22 Å²	22	57.4 Å²	57.4	15%	0.154	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	145.7	179.8	-55.9	0	0	0	0	111.3	Q120 Y147 I148	Q120-S140 CarbonylContact O-C 3.59Å; Q120-S140 WeakPolarHBondContact O-CA 3.37Å; S140-Y147 WeakPolarHBondContact O-CB 3.34Å; S140-Y147 PolarHBondContact O-N 3.43Å; S140-I148 PolarHBondContact N-O 2.93Å; S140-I148 PolarHBondContact O-N 3.41Å
141	A	98.8	Very high	97.6	Very high	16 Å²	16	54.5 Å²	54.5	13%	0.132	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	144.5	174.8	0	0	0	0	0	110.3	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.44Å; Q120-A141 PolarHBondContact N-O 2.96Å; Q120-A141 PolarHBondContact O-N 2.86Å; A141-K145 CarbonylContact C-O 3.56Å; A141-K145 WeakPolarHBondContact CA-O 2.99Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.38Å
142	Y	98.6	Very high	97.9	Very high	10 Å²	10	60 Å²	60	4%	0.039	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127	177.8	-178.4	-118.7	0	0	0	110	L102 L105 Y109 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.13Å; L105-Y142 HydrophobicContact CB-CD1 4.39Å; L105-Y142 HydrophobicContact CB-CD2 4.13Å; L105-Y142 HydrophobicContact CB-CE1 4.09Å; L105-Y142 HydrophobicContact CB-CE2 3.81Å; L105-Y142 HydrophobicContact CB-CG 4.4Å; L105-Y142 HydrophobicContact CD1-CD2 3.61Å; L105-Y142 HydrophobicContact CD1-CE2 4.03Å; L105-Y142 HydrophobicContact CD1-CG 4.02Å; L105-Y142 HydrophobicContact CD2-CG 4.49Å; L105-Y142 HydrophobicContact CG-CD2 4.38Å; Y109-Y142 AromaticContact CD2-CD1 3.7Å; Y109-Y142 HydrophobicContact CD2-CD1 3.7Å; Y109-Y142 AromaticContact CD2-CE1 3.46Å; Y109-Y142 HydrophobicContact CD2-CE1 3.46Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.46Å; Y109-Y142 AromaticContact CE2-CD1 3.53Å; Y109-Y142 HydrophobicContact CE2-CD1 3.53Å; Y109-Y142 AromaticContact CE2-CE1 3.83Å; Y109-Y142 HydrophobicContact CE2-CE1 3.83Å; Y109-Y142 HydrophobicContact CG-CE1 4.29Å; H117-Y142 HydrophobicContact CB-CE2 3.8Å; H117-Y142 AromaticContact CG-CZ 3.99Å; H117-Y142 AromaticContact ND1-CZ 3.82Å; H117-Y142 PolarHBondContact ND1-OH 2.84Å; H117-Y142 VanDerWaalsContact ND1-OH 3.13Å; T118-Y142 CarbonylContact O-C 3.6Å; T118-Y142 WeakPolarHBondContact O-CA 3.29Å; T118-Y142 WeakPolarHBondContact O-CD2 3.35Å; Y142-G144 PolarHBondContact O-N 3.16Å; Y142-K145 PolarHBondContact N-O 3.33Å; Y142-K145 PolarHBondContact O-N 3.08Å; Y142-K145 VanDerWaalsContact O-N 3.1Å
143	D	98	Very high	98.1	Very high	60 Å²	60	55.6 Å²	55.6	32%	0.321	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	41.1	-173.7	-65.9	-20.3	0	0	0	113.2	H117 T118 K145	H117-D143 VanDerWaalsContact CA-OD1 3.22Å; H117-D143 WeakPolarHBondContact CA-OD1 3.19Å; H117-D143 WeakPolarHBondContact CB-OD1 3.41Å; H117-D143 IonicContact CE1-OD2 2.74Å; H117-D143 IonicContact CG-OD1 2.65Å; H117-D143 IonicContact CG-OD2 3.31Å; H117-D143 IonicContact ND1-OD1 3.67Å; H117-D143 PolarHBondContact ND1-OD1 2.99Å; H117-D143 IonicContact ND1-OD2 3.52Å; H117-D143 PolarHBondContact ND1-OD2 3.17Å; T118-D143 PolarHBondContact N-OD1 2.8Å; T118-D143 PolarHBondContact O-N 3.46Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.03Å
144	G	97.4	Very high	98.2	Very high	58 Å²	58	53.7 Å²	53.7	60%	0.598	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	9.8	177.6	0	0	0	0	0	115.3	Y142	Y142-G144 PolarHBondContact O-N 3.16Å
145	K	98.4	Very high	98.2	Very high	161 Å²	161	55.7 Å²	55.7	70%	0.7	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117	143.8	176.5	-62.1	-177.6	-178.9	-176.5	0	110.8	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.56Å; A141-K145 WeakPolarHBondContact CA-O 2.99Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.38Å; Y142-K145 PolarHBondContact N-O 3.33Å; Y142-K145 PolarHBondContact O-N 3.08Å; Y142-K145 VanDerWaalsContact O-N 3.1Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.03Å; K145-Y147 PolarHBondContact O-N 3.29Å
146	D	98.7	Very high	98.3	Very high	127 Å²	127	53.4 Å²	53.4	68%	0.679	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.4	134.9	174.1	-66.2	-29.3	0	0	0	110.6	A160	D146-A160 HydrophobicContact CB-CB 4.41Å; D146-A160 WeakPolarHBondContact O-CB 3.36Å
147	Y	98.8	Very high	98.3	Very high	9 Å²	9	53.9 Å²	53.9	4%	0.035	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-61.6	-179.8	179.1	-108.6	0	0	0	110.4	L105 Y109 S140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.33Å; L105-Y147 HydrophobicContact CD2-CD2 4Å; L105-Y147 HydrophobicContact CD2-CE1 3.76Å; L105-Y147 HydrophobicContact CD2-CE2 3.37Å; L105-Y147 HydrophobicContact CD2-CG 4.44Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.05Å; Y109-Y147 HydrophobicContact CE2-CD2 4.3Å; Y109-Y147 HydrophobicContact CE2-CE2 4.01Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.43Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.26Å; S140-Y147 WeakPolarHBondContact O-CB 3.34Å; S140-Y147 PolarHBondContact O-N 3.43Å; K145-Y147 PolarHBondContact O-N 3.29Å; Y147-A160 WeakPolarHBondContact O-CB 3.26Å; Y147-A160 PolarHBondContact O-N 2.84Å; Y147-A163 HydrophobicContact CE2-CB 4.5Å; Y147-A163 PolarHBondContact OH-O 2.86Å; Y147-A164 HydrophobicContact CD2-CB 3.83Å; Y147-A164 HydrophobicContact CE1-CB 4.48Å; Y147-A164 VanDerWaalsContact CE2-CA 3.48Å; Y147-A164 HydrophobicContact CE2-CB 3.67Å; Y147-A164 HydrophobicContact CG-CB 4.31Å; Y147-A164 WeakPolarHBondContact O-CB 3.24Å; Y147-T167 HydrophobicContact CE1-CG2 4.17Å; Y147-T167 WeakPolarHBondContact OH-CB 3.33Å; Y147-T167 PolarHBondContact OH-OG1 2.91Å
148	I	98.7	Very high	98.3	Very high	9 Å²	9	55.6 Å²	55.6	5%	0.046	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	140.8	-179.9	-161.8	168.6	0	0	0	110.7	Q139 S140 W157 T158 T167 Q168 L171	Q139-I148 WeakPolarHBondContact CA-O 3.33Å; S140-I148 PolarHBondContact N-O 2.93Å; S140-I148 PolarHBondContact O-N 3.41Å; I148-W157 HydrophobicContact CD1-CB 4.47Å; I148-W157 HydrophobicContact CD1-CE3 4.2Å; I148-W157 HydrophobicContact CG1-CB 4.48Å; I148-W157 HydrophobicContact CG1-CE3 4.03Å; I148-T158 WeakPolarHBondContact CA-O 3.48Å; I148-T167 HydrophobicContact CD1-CG2 3.97Å; I148-Q168 HydrophobicContact CD1-CB 3.99Å; I148-L171 HydrophobicContact CD1-CD1 3.76Å
149	A	98.8	Very high	98.4	Very high	29 Å²	29	56.2 Å²	56.2	24%	0.24	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	139.4	178.3	0	0	0	0	0	111.5	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.84Å; A149-W157 CarbonylContact O-C 3.52Å; A149-W157 WeakPolarHBondContact O-CA 3.44Å; A149-T158 PolarHBondContact N-O 3.38Å; A149-T158 PolarHBondContact O-N 3.35Å
150	L	98.8	Very high	98.3	Very high	14 Å²	14	55.4 Å²	55.4	7%	0.073	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	128.7	166.8	-175.8	68.5	0	0	0	108.6	D138 L154 W157 A177 L180 L184	D138-L150 HydrophobicContact CB-CB 4Å; D138-L150 HydrophobicContact CB-CD2 4.22Å; D138-L150 WeakPolarHBondContact O-CB 3.47Å; D138-L150 PolarHBondContact O-N 3.34Å; L150-L154 HydrophobicContact CD2-CB 4.49Å; L150-L154 HydrophobicContact CD2-CD2 3.8Å; L150-L154 HydrophobicContact CG-CD2 4.36Å; L150-W157 HydrophobicContact CB-CE3 4.13Å; L150-W157 HydrophobicContact CB-CH2 4.31Å; L150-W157 HydrophobicContact CB-CZ3 3.87Å; L150-W157 HydrophobicContact CD1-CD2 4.22Å; L150-W157 HydrophobicContact CD1-CE3 4.36Å; L150-W157 HydrophobicContact CD1-CH2 4.17Å; L150-W157 HydrophobicContact CD1-CZ2 3.99Å; L150-W157 HydrophobicContact CD1-CZ3 4.34Å; L150-A177 HydrophobicContact CD1-CB 4Å; L150-L180 HydrophobicContact CD2-CB 4.25Å; L150-L184 HydrophobicContact CD2-CD1 3.92Å
151	N	98.6	Very high	98.3	Very high	43 Å²	43	56.9 Å²	56.9	23%	0.23	32%	0.315	C	S	.	.			trans	-73.3	164.1	-179.5	-67.7	-27.3	0	0	0	111.4	D153 L154 S156 W157 T158	N151-D153 PolarHBondContact O-N 2.85Å; N151-D153 VanDerWaalsContact O-N 3.09Å; N151-L154 WeakPolarHBondContact O-CA 3.47Å; N151-L154 PolarHBondContact O-N 3Å; N151-S156 WeakPolarHBondContact CB-O 3.2Å; N151-S156 WeakPolarHBondContact CB-OG 3.38Å; N151-S156 PolarHBondContact N-O 3.44Å; N151-S156 PolarHBondContact ND2-OG 3.1Å; N151-W157 PolarHBondContact ND2-N 3.35Å; N151-T158 PolarHBondContact ND2-OG1 2.9Å; N151-T158 WeakPolarHBondContact OD1-CB 3.38Å; N151-T158 PolarHBondContact OD1-OG1 2.83Å
152	E	97.5	Very high	98.3	Very high	136 Å²	136	61.3 Å²	61.3	64%	0.636	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.4	-179.5	-67.1	178.1	-161.8	0	0	113.7	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.44Å; R135-E152 VanDerWaalsContact CZ-CG 3.45Å; R135-E152 IonicContact CZ-OE1 3.75Å; R135-E152 IonicContact NH1-OE1 3.25Å; R135-E152 PolarHBondContact NH1-OE1 3.49Å; R135-E152 IonicContact NH1-OE2 3.89Å; R135-E152 VanDerWaalsContact NH2-CG 3.25Å; R135-E152 IonicContact NH2-OE1 3.42Å; R135-E152 PolarHBondContact NH2-OE1 2.81Å; E152-L154 PolarHBondContact O-N 2.94Å
153	D	97.5	Very high	98.3	Very high	78 Å²	78	61.1 Å²	61.1	42%	0.417	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-7.3	174.6	70	4	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.85Å; N151-D153 VanDerWaalsContact O-N 3.09Å; D153-R155 VanDerWaalsContact O-CG 3.32Å; D153-R155 WeakPolarHBondContact O-CG 3.32Å; D153-R155 PolarHBondContact O-N 2.92Å; D153-R155 VanDerWaalsContact O-N 3.17Å; D153-R155 PolarHBondContact OD1-N 2.59Å; D153-S156 PolarHBondContact OD1-N 3.08Å; D153-S156 PolarHBondContact OD1-OG 3.38Å; D153-S156 VanDerWaalsContact OD1-OG 3.1Å; D153-S156 WeakPolarHBondContact OD2-CB 3.47Å; D153-S156 PolarHBondContact OD2-OG 2.83Å
154	L	98	Very high	98.3	Very high	9 Å²	9	58.2 Å²	58.2	5%	0.047	33%	0.325	C	S	.	.	S	Bend	trans	53.5	27.4	-175.4	-53.7	-178.8	0	0	0	113.7	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.15Å; L150-L154 HydrophobicContact CD2-CB 4.49Å; L150-L154 HydrophobicContact CD2-CD2 3.8Å; L150-L154 HydrophobicContact CG-CD2 4.36Å; N151-L154 WeakPolarHBondContact O-CA 3.47Å; N151-L154 PolarHBondContact O-N 3Å; E152-L154 PolarHBondContact O-N 2.94Å; L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.85Å; L154-R181 HydrophobicContact CD1-CG 4.16Å; L154-L184 HydrophobicContact CD2-CD1 3.97Å; L154-E185 HydrophobicContact CD1-CG 4.17Å
155	R	97.6	Very high	98.3	Very high	165 Å²	165	59 Å²	59	62%	0.623	31%	0.313	S	S	*	.	S	Bend	trans	-134.7	-34.3	-173.4	-71.8	169.1	-176.4	-105.2	12.6	112.7	D153 A177 R181	D153-R155 VanDerWaalsContact O-CG 3.32Å; D153-R155 WeakPolarHBondContact O-CG 3.32Å; D153-R155 PolarHBondContact O-N 2.92Å; D153-R155 VanDerWaalsContact O-N 3.17Å; D153-R155 PolarHBondContact OD1-N 2.59Å; R155-A177 WeakPolarHBondContact O-CB 3.23Å; R155-R181 VanDerWaalsContact CZ-NH1 3.32Å
156	S	98	Very high	98.3	Very high	41 Å²	41	54.1 Å²	54.1	29%	0.287	29%	0.294	S	S	.	.			trans	-112.7	164.8	-177.4	63.9	0	0	0	0	111.9	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.2Å; N151-S156 WeakPolarHBondContact CB-OG 3.38Å; N151-S156 PolarHBondContact N-O 3.44Å; N151-S156 PolarHBondContact ND2-OG 3.1Å; D153-S156 PolarHBondContact OD1-N 3.08Å; D153-S156 PolarHBondContact OD1-OG 3.38Å; D153-S156 VanDerWaalsContact OD1-OG 3.1Å; D153-S156 WeakPolarHBondContact OD2-CB 3.47Å; D153-S156 PolarHBondContact OD2-OG 2.83Å
157	W	98.7	Very high	98.3	Very high	15 Å²	15	49.5 Å²	49.5	6%	0.057	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	144.7	-176.1	-60.4	90.1	0	0	0	110.8	I148 A149 L150 N151 Q168 L171 A176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.47Å; I148-W157 HydrophobicContact CD1-CE3 4.2Å; I148-W157 HydrophobicContact CG1-CB 4.48Å; I148-W157 HydrophobicContact CG1-CE3 4.03Å; A149-W157 CarbonylContact O-C 3.52Å; A149-W157 WeakPolarHBondContact O-CA 3.44Å; L150-W157 HydrophobicContact CB-CE3 4.13Å; L150-W157 HydrophobicContact CB-CH2 4.31Å; L150-W157 HydrophobicContact CB-CZ3 3.87Å; L150-W157 HydrophobicContact CD1-CD2 4.22Å; L150-W157 HydrophobicContact CD1-CE3 4.36Å; L150-W157 HydrophobicContact CD1-CH2 4.17Å; L150-W157 HydrophobicContact CD1-CZ2 3.99Å; L150-W157 HydrophobicContact CD1-CZ3 4.34Å; N151-W157 PolarHBondContact ND2-N 3.35Å; W157-Q168 HydrophobicContact CB-CG 4.1Å; W157-Q168 PolarHBondContact O-NE2 2.88Å; W157-L171 HydrophobicContact CD2-CD1 3.99Å; W157-L171 HydrophobicContact CE3-CD1 3.99Å; W157-L171 HydrophobicContact CH2-CD1 3.77Å; W157-L171 HydrophobicContact CZ2-CB 4.17Å; W157-L171 HydrophobicContact CZ2-CD1 3.79Å; W157-L171 HydrophobicContact CZ2-CG 4.42Å; W157-L171 HydrophobicContact CZ3-CD1 3.89Å; W157-A176 HydrophobicContact CZ2-CB 4.28Å; W157-A177 HydrophobicContact CZ2-CB 4.32Å; W157-L180 HydrophobicContact CH2-CD1 3.38Å; W157-L180 HydrophobicContact CZ2-CD1 3.85Å; W157-L180 HydrophobicContact CZ3-CD1 4.47Å
158	T	98.7	Very high	98.3	Very high	77 Å²	77	51 Å²	51	47%	0.472	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	118.4	166	-66.3	0	0	0	0	108.9	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.48Å; A149-T158 PolarHBondContact N-O 3.38Å; A149-T158 PolarHBondContact O-N 3.35Å; N151-T158 PolarHBondContact ND2-OG1 2.9Å; N151-T158 WeakPolarHBondContact OD1-CB 3.38Å; N151-T158 PolarHBondContact OD1-OG1 2.83Å
159	A	98.7	Very high	98.3	Very high	23 Å²	23	57.7 Å²	57.7	19%	0.19	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	131.2	175.2	0	0	0	0	0	110.1	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.73Å; A159-Q165 HydrophobicContact CB-CG 4.02Å; A159-Q168 HydrophobicContact CB-CB 4.39Å
160	A	98.5	Very high	98.3	Very high	61 Å²	61	61.6 Å²	61.6	50%	0.504	31%	0.314	S	S	.	.	S	Bend	trans	-73.7	-31	-176	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.41Å; D146-A160 WeakPolarHBondContact O-CB 3.36Å; Y147-A160 WeakPolarHBondContact O-CB 3.26Å; Y147-A160 PolarHBondContact O-N 2.84Å
161	D	98.3	Very high	98.2	Very high	54 Å²	54	63 Å²	63	29%	0.289	32%	0.322	S	S	.	.	S	Bend	trans	-151.6	-174.5	-178.6	67.5	26.3	0	0	0	113.2	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.5Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.3Å; Y109-D161 PolarHBondContact OH-OD1 2.88Å; Y109-D161 VanDerWaalsContact OH-OD1 3.08Å; Y109-D161 PolarHBondContact OH-OD2 3.04Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 2.76Å; D161-A163 WeakPolarHBondContact OD1-CA 3.12Å; D161-A163 WeakPolarHBondContact OD1-CB 3.38Å; D161-A163 PolarHBondContact OD1-N 2.69Å; D161-A164 PolarHBondContact O-N 3.11Å; D161-A164 PolarHBondContact OD1-N 3.33Å; D161-Q165 WeakPolarHBondContact O-CG 3.35Å; D161-Q165 PolarHBondContact O-N 2.82Å
162	T	98.1	Very high	98.2	Very high	109 Å²	109	65.5 Å²	65.5	67%	0.669	33%	0.332	S	S	*	.	H	α-helix	trans	-66.8	-28	-178.5	52.7	0	0	0	0	113.7
163	A	97.9	Very high	98.2	Very high	5 Å²	5	63.1 Å²	63.1	4%	0.041	34%	0.336	C	S	.	.	H	α-helix	trans	-72.5	-43.6	173.9	0	0	0	0	0	110.1	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.17Å; Y109-A163 HydrophobicContact CD2-CB 4.37Å; Y109-A163 HydrophobicContact CE1-CB 3.63Å; Y109-A163 HydrophobicContact CE2-CB 3.84Å; Y109-A163 VanDerWaalsContact CZ-CB 3.45Å; Y147-A163 HydrophobicContact CE2-CB 4.5Å; Y147-A163 PolarHBondContact OH-O 2.86Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 2.76Å; D161-A163 WeakPolarHBondContact OD1-CA 3.12Å; D161-A163 WeakPolarHBondContact OD1-CB 3.38Å; D161-A163 PolarHBondContact OD1-N 2.69Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.74Å; A163-I166 VanDerWaalsContact O-CB 3.26Å; A163-I166 WeakPolarHBondContact O-CB 3.48Å; A163-I166 PolarHBondContact O-N 2.75Å
164	A	98.4	Very high	98.3	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-60.3	-34.4	174.4	0	0	0	0	0	113.2	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.83Å; Y147-A164 HydrophobicContact CE1-CB 4.48Å; Y147-A164 VanDerWaalsContact CE2-CA 3.48Å; Y147-A164 HydrophobicContact CE2-CB 3.67Å; Y147-A164 HydrophobicContact CG-CB 4.31Å; Y147-A164 WeakPolarHBondContact O-CB 3.24Å; A159-A164 HydrophobicContact CB-CB 3.73Å; D161-A164 PolarHBondContact O-N 3.11Å; D161-A164 PolarHBondContact OD1-N 3.33Å; A164-I166 PolarHBondContact O-N 2.89Å; A164-T167 WeakPolarHBondContact O-CB 3.4Å; A164-T167 PolarHBondContact O-N 3.04Å; A164-Q168 PolarHBondContact O-N 3.34Å
165	Q	98.6	Very high	98.2	Very high	74 Å²	74	70.1 Å²	70.1	35%	0.346	37%	0.371	S	S	.	.	H	α-helix	trans	-59.8	-27.9	173.5	-72.8	173.6	10	0	0	113.1	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.02Å; D161-Q165 WeakPolarHBondContact O-CG 3.35Å; D161-Q165 PolarHBondContact O-N 2.82Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.74Å; Q165-R169 WeakPolarHBondContact O-CG 3.45Å; Q165-R169 PolarHBondContact O-N 2.73Å; Q165-R169 VanDerWaalsContact O-N 3.14Å
166	I	98.3	Very high	98.2	Very high	59 Å²	59	63 Å²	63	30%	0.303	35%	0.347	S	S	.	.	H	α-helix	trans	-66.4	-45	174	-56.7	171.3	0	0	0	109.7	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.13Å; Y108-I166 HydrophobicContact CD2-CD1 4.46Å; Y108-I166 HydrophobicContact CE1-CD1 4.48Å; Y108-I166 HydrophobicContact CE1-CG2 4.21Å; Y108-I166 HydrophobicContact CE2-CB 4.26Å; Y108-I166 HydrophobicContact CE2-CG2 4.04Å; Y108-I166 HydrophobicContact CG-CD1 4.16Å; A163-I166 VanDerWaalsContact O-CB 3.26Å; A163-I166 WeakPolarHBondContact O-CB 3.48Å; A163-I166 PolarHBondContact O-N 2.75Å; A164-I166 PolarHBondContact O-N 2.89Å; I166-K170 WeakPolarHBondContact O-CG 3.32Å; I166-K170 PolarHBondContact O-N 3.36Å
167	T	98.3	Very high	98.2	Very high	30 Å²	30	61.4 Å²	61.4	18%	0.184	34%	0.337	C	S	.	.	H	α-helix	trans	-65	-44.3	175	-68.9	0	0	0	0	111.2	Y147 I148 A164 R169 K170 L171	Y147-T167 HydrophobicContact CE1-CG2 4.17Å; Y147-T167 WeakPolarHBondContact OH-CB 3.33Å; Y147-T167 PolarHBondContact OH-OG1 2.91Å; I148-T167 HydrophobicContact CD1-CG2 3.97Å; A164-T167 WeakPolarHBondContact O-CB 3.4Å; A164-T167 PolarHBondContact O-N 3.04Å; T167-R169 PolarHBondContact O-N 3.14Å; T167-K170 WeakPolarHBondContact O-CB 3.03Å; T167-K170 PolarHBondContact O-N 2.79Å; T167-L171 HydrophobicContact CG2-CD1 3.8Å; T167-L171 HydrophobicContact CG2-CG 4.04Å; T167-L171 WeakPolarHBondContact O-CG 3.26Å; T167-L171 PolarHBondContact O-N 3.09Å
168	Q	98.6	Very high	98.2	Very high	41 Å²	41	66.2 Å²	66.2	19%	0.192	36%	0.36	C	S	.	.	H	α-helix	trans	-51.8	-52.4	177.5	176.1	175.8	10.2	0	0	111.8	I148 W157 A159 A164 K170 L171 E172	I148-Q168 HydrophobicContact CD1-CB 3.99Å; W157-Q168 HydrophobicContact CB-CG 4.1Å; W157-Q168 PolarHBondContact O-NE2 2.88Å; A159-Q168 HydrophobicContact CB-CB 4.39Å; A164-Q168 PolarHBondContact O-N 3.34Å; Q168-K170 PolarHBondContact O-N 3.02Å; Q168-L171 PolarHBondContact O-N 3.37Å; Q168-L171 VanDerWaalsContact O-N 3.1Å; Q168-E172 HydrophobicContact CG-CG 4.35Å; Q168-E172 VanDerWaalsContact CG-OE1 3.27Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.39Å; Q168-E172 PolarHBondContact NE2-OE1 3.04Å; Q168-E172 WeakPolarHBondContact O-CG 3.43Å; Q168-E172 PolarHBondContact O-N 3.23Å
169	R	98.6	Very high	98.1	Very high	149 Å²	149	69.7 Å²	69.7	56%	0.562	37%	0.371	S	S	*	.	H	α-helix	trans	-58.5	-36.1	179.1	-68.6	171.9	-165.6	136.5	8.1	112.6	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.45Å; Q165-R169 PolarHBondContact O-N 2.73Å; Q165-R169 VanDerWaalsContact O-N 3.14Å; T167-R169 PolarHBondContact O-N 3.14Å; R169-A173 VanDerWaalsContact O-CB 3.25Å; R169-A173 WeakPolarHBondContact O-CB 3.47Å; R169-A173 PolarHBondContact O-N 2.81Å
170	K	97.9	Very high	98	Very high	111 Å²	111	70 Å²	70	48%	0.483	37%	0.369	S	S	.	.	H	α-helix	trans	-69.1	-42.9	176.5	-70.2	177.1	174.2	-173	0	111.9	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.1Å; I166-K170 WeakPolarHBondContact O-CG 3.32Å; I166-K170 PolarHBondContact O-N 3.36Å; T167-K170 WeakPolarHBondContact O-CB 3.03Å; T167-K170 PolarHBondContact O-N 2.79Å; Q168-K170 PolarHBondContact O-N 3.02Å; K170-A173 PolarHBondContact O-N 2.89Å; K170-A174 VanDerWaalsContact O-CB 3.27Å; K170-A174 WeakPolarHBondContact O-CB 3.43Å; K170-A174 PolarHBondContact O-N 3.28Å
171	L	98	Very high	98	Very high	43 Å²	43	70.4 Å²	70.4	23%	0.225	36%	0.357	C	S	.	.	H	α-helix	trans	-65.7	-41.4	178	-67.1	175.8	0	0	0	111.5	I148 W157 T167 Q168 A174 R175 A176	I148-L171 HydrophobicContact CD1-CD1 3.76Å; W157-L171 HydrophobicContact CD2-CD1 3.99Å; W157-L171 HydrophobicContact CE3-CD1 3.99Å; W157-L171 HydrophobicContact CH2-CD1 3.77Å; W157-L171 HydrophobicContact CZ2-CB 4.17Å; W157-L171 HydrophobicContact CZ2-CD1 3.79Å; W157-L171 HydrophobicContact CZ2-CG 4.42Å; W157-L171 HydrophobicContact CZ3-CD1 3.89Å; T167-L171 HydrophobicContact CG2-CD1 3.8Å; T167-L171 HydrophobicContact CG2-CG 4.04Å; T167-L171 WeakPolarHBondContact O-CG 3.26Å; T167-L171 PolarHBondContact O-N 3.09Å; Q168-L171 PolarHBondContact O-N 3.37Å; Q168-L171 VanDerWaalsContact O-N 3.1Å; L171-A174 CarbonylContact O-C 3.56Å; L171-A174 PolarHBondContact O-N 3.49Å; L171-R175 PolarHBondContact O-N 3.05Å; L171-A176 HydrophobicContact CB-CB 4.06Å; L171-A176 HydrophobicContact CD2-CB 3.66Å; L171-A176 HydrophobicContact CG-CB 4.45Å; L171-A176 PolarHBondContact O-N 3.01Å
172	E	98.3	Very high	98	Very high	95 Å²	95	71 Å²	71	44%	0.444	37%	0.37	S	S	.	.	H	α-helix	trans	-63.9	-47.6	175.2	-72.1	170.4	176	0	0	111.4	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.35Å; Q168-E172 VanDerWaalsContact CG-OE1 3.27Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.39Å; Q168-E172 PolarHBondContact NE2-OE1 3.04Å; Q168-E172 WeakPolarHBondContact O-CG 3.43Å; Q168-E172 PolarHBondContact O-N 3.23Å; E172-A174 VanDerWaalsContact C-N 3.25Å; E172-A174 PolarHBondContact O-N 3.06Å; E172-R175 PolarHBondContact O-N 2.93Å
173	A	98.3	Very high	97.9	Very high	87 Å²	87	68.8 Å²	68.8	72%	0.719	35%	0.349	S	S	*	.	H	α-helix	trans	-60.7	-35.6	176.6	0	0	0	0	0	112.6	R169 K170 R175	R169-A173 VanDerWaalsContact O-CB 3.25Å; R169-A173 WeakPolarHBondContact O-CB 3.47Å; R169-A173 PolarHBondContact O-N 2.81Å; K170-A173 PolarHBondContact O-N 2.89Å; A173-R175 VanDerWaalsContact C-N 3.32Å
174	A	97.6	Very high	97.9	Very high	70 Å²	70	68.6 Å²	68.6	58%	0.579	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-3.1	176.3	0	0	0	0	0	114	K170 L171 E172 A176	K170-A174 VanDerWaalsContact O-CB 3.27Å; K170-A174 WeakPolarHBondContact O-CB 3.43Å; K170-A174 PolarHBondContact O-N 3.28Å; L171-A174 CarbonylContact O-C 3.56Å; L171-A174 PolarHBondContact O-N 3.49Å; E172-A174 VanDerWaalsContact C-N 3.25Å; E172-A174 PolarHBondContact O-N 3.06Å; A174-A176 PolarHBondContact O-N 3.22Å
175	R	97.5	Very high	97.9	Very high	163 Å²	163	72.7 Å²	72.7	62%	0.615	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	37.2	-172.9	-56.1	-176.1	177.4	-163.8	1.5	113.5	L171 E172 A173 A177 E178	L171-R175 PolarHBondContact O-N 3.05Å; E172-R175 PolarHBondContact O-N 2.93Å; A173-R175 VanDerWaalsContact C-N 3.32Å; R175-A177 PolarHBondContact O-N 3Å; R175-A177 VanDerWaalsContact O-N 3.14Å; R175-E178 HydrophobicContact CB-CG 4.29Å; R175-E178 IonicContact NH1-OE1 3.09Å; R175-E178 WeakPolarHBondContact O-CB 3.17Å; R175-E178 PolarHBondContact O-N 3.21Å
176	A	97.4	Very high	97.9	Very high	15 Å²	15	70.2 Å²	70.2	12%	0.124	36%	0.361	C	S	.	.	H	α-helix	trans	-58.7	-31	-174.8	0	0	0	0	0	113.2	W157 L171 A174 E178 Q179 L180	W157-A176 HydrophobicContact CZ2-CB 4.28Å; L171-A176 HydrophobicContact CB-CB 4.06Å; L171-A176 HydrophobicContact CD2-CB 3.66Å; L171-A176 HydrophobicContact CG-CB 4.45Å; L171-A176 PolarHBondContact O-N 3.01Å; A174-A176 PolarHBondContact O-N 3.22Å; A176-E178 VanDerWaalsContact C-N 3.27Å; A176-E178 PolarHBondContact O-N 2.83Å; A176-Q179 PolarHBondContact O-N 2.84Å; A176-L180 PolarHBondContact O-N 2.86Å; A176-L180 VanDerWaalsContact O-N 3.1Å
177	A	98	Very high	97.8	Very high	9 Å²	9	69.8 Å²	69.8	7%	0.074	36%	0.361	C	S	.	.	H	α-helix	trans	-60.6	-33.9	177	0	0	0	0	0	112.7	L150 R155 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 4Å; R155-A177 WeakPolarHBondContact O-CB 3.23Å; W157-A177 HydrophobicContact CZ2-CB 4.32Å; R175-A177 PolarHBondContact O-N 3Å; R175-A177 VanDerWaalsContact O-N 3.14Å; A177-Q179 PolarHBondContact O-N 2.84Å; A177-L180 PolarHBondContact O-N 2.7Å; A177-R181 WeakPolarHBondContact O-CB 3.49Å; A177-R181 PolarHBondContact O-N 3.03Å
178	E	97.7	Very high	97.8	Very high	116 Å²	116	68.4 Å²	68.4	54%	0.542	35%	0.353	S	S	.	.	H	α-helix	trans	-64.5	-41.1	178.5	-64.2	178	-177.5	0	0	111.5	R175 A176 A182	R175-E178 HydrophobicContact CB-CG 4.29Å; R175-E178 IonicContact NH1-OE1 3.09Å; R175-E178 WeakPolarHBondContact O-CB 3.17Å; R175-E178 PolarHBondContact O-N 3.21Å; A176-E178 VanDerWaalsContact C-N 3.27Å; A176-E178 PolarHBondContact O-N 2.83Å; E178-A182 WeakPolarHBondContact O-CB 3.18Å; E178-A182 PolarHBondContact O-N 2.92Å
179	Q	96.2	Very high	97.8	Very high	150 Å²	150	66.8 Å²	66.8	70%	0.701	35%	0.346	S	S	*	.	H	α-helix	trans	-69.4	-44	178	-65.5	-178.8	-10.7	0	0	111.7	A176 A177 A182 Y183	A176-Q179 PolarHBondContact O-N 2.84Å; A177-Q179 PolarHBondContact O-N 2.84Å; Q179-A182 PolarHBondContact O-N 3.36Å; Q179-Y183 PolarHBondContact O-N 2.99Å
180	L	97.3	Very high	97.8	Very high	29 Å²	29	65.6 Å²	65.6	15%	0.152	35%	0.346	C	S	.	.	H	α-helix	trans	-64.1	-43.1	177.3	-72.6	171.2	0	0	0	111.2	D138 L150 W157 A176 A177 A182 Y183 L184	D138-L180 HydrophobicContact CB-CD1 4.24Å; D138-L180 WeakPolarHBondContact OD1-CD2 3.27Å; L150-L180 HydrophobicContact CD2-CB 4.25Å; W157-L180 HydrophobicContact CH2-CD1 3.38Å; W157-L180 HydrophobicContact CZ2-CD1 3.85Å; W157-L180 HydrophobicContact CZ3-CD1 4.47Å; A176-L180 PolarHBondContact O-N 2.86Å; A176-L180 VanDerWaalsContact O-N 3.1Å; A177-L180 PolarHBondContact O-N 2.7Å; L180-A182 PolarHBondContact O-N 2.87Å; L180-Y183 WeakPolarHBondContact O-CB 3.38Å; L180-Y183 PolarHBondContact O-N 3.31Å; L180-L184 WeakPolarHBondContact O-CB 3.29Å; L180-L184 VanDerWaalsContact O-CG 3.24Å; L180-L184 WeakPolarHBondContact O-CG 3.46Å; L180-L184 PolarHBondContact O-N 2.85Å
181	R	98.1	Very high	97.8	Very high	69 Å²	69	62.4 Å²	62.4	26%	0.26	33%	0.331	S	S	.	.	H	α-helix	trans	-59.3	-45.3	175	-175.6	172.1	-179.5	-132.9	-13.7	111.9	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 4.16Å; R155-R181 VanDerWaalsContact CZ-NH1 3.32Å; A177-R181 WeakPolarHBondContact O-CB 3.49Å; A177-R181 PolarHBondContact O-N 3.03Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 2.79Å; R181-L184 PolarHBondContact O-N 2.61Å; R181-E185 HydrophobicContact CG-CG 4.08Å; R181-E185 IonicContact CZ-OE1 3.11Å; R181-E185 VanDerWaalsContact CZ-OE1 3.22Å; R181-E185 IonicContact CZ-OE2 3.57Å; R181-E185 VanDerWaalsContact NE-CD 3.32Å; R181-E185 IonicContact NE-OE1 2.71Å; R181-E185 PolarHBondContact NE-OE1 3.46Å; R181-E185 IonicContact NE-OE2 3.67Å; R181-E185 PolarHBondContact NE-OE2 3.22Å; R181-E185 IonicContact NH2-OE1 3.32Å; R181-E185 PolarHBondContact NH2-OE1 2.82Å; R181-E185 IonicContact NH2-OE2 3.66Å; R181-E185 PolarHBondContact NH2-OE2 3.12Å; R181-E185 WeakPolarHBondContact O-CB 3.43Å; R181-E185 WeakPolarHBondContact O-CG 3.4Å; R181-E185 PolarHBondContact O-N 2.99Å
182	A	98.1	Very high	97.8	Very high	66 Å²	66	60.4 Å²	60.4	55%	0.545	32%	0.321	S	S	.	.	H	α-helix	trans	-60.9	-38.9	176.4	0	0	0	0	0	112.5	E178 Q179 L180 G186	E178-A182 WeakPolarHBondContact O-CB 3.18Å; E178-A182 PolarHBondContact O-N 2.92Å; Q179-A182 PolarHBondContact O-N 3.36Å; L180-A182 PolarHBondContact O-N 2.87Å; A182-G186 PolarHBondContact O-N 3.47Å; A182-G186 VanDerWaalsContact O-N 3.12Å
183	Y	97.4	Very high	97.7	Very high	63 Å²	63	61.5 Å²	61.5	25%	0.247	32%	0.321	C	S	.	.	I	π-helix	trans	-65.9	-48.1	173.5	167.3	-101.1	0	0	0	112	Q179 L180 R181 T187 C188	Q179-Y183 PolarHBondContact O-N 2.99Å; L180-Y183 WeakPolarHBondContact O-CB 3.38Å; L180-Y183 PolarHBondContact O-N 3.31Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 2.79Å; Y183-T187 HydrophobicContact CD2-CG2 3.94Å; Y183-T187 HydrophobicContact CE2-CG2 3.88Å; Y183-T187 PolarHBondContact O-N 3.24Å; Y183-T187 VanDerWaalsContact O-N 3.07Å; Y183-C188 HydrophobicContact CE1-CB 4.12Å; Y183-C188 WeakPolarHBondContact O-CB 3.38Å; Y183-C188 PolarHBondContact O-N 2.84Å
184	L	98.3	Very high	97.7	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.005	31%	0.309	C	S	.	.	I	π-helix	trans	-69.6	-40.3	-175.1	-69.8	171.8	0	0	0	112.6	G124 L150 L154 L180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.28Å; L150-L184 HydrophobicContact CD2-CD1 3.92Å; L154-L184 HydrophobicContact CD2-CD1 3.97Å; L180-L184 WeakPolarHBondContact O-CB 3.29Å; L180-L184 VanDerWaalsContact O-CG 3.24Å; L180-L184 WeakPolarHBondContact O-CG 3.46Å; L180-L184 PolarHBondContact O-N 2.85Å; R181-L184 PolarHBondContact O-N 2.61Å; L184-V189 WeakPolarHBondContact O-CG2 3.34Å
185	E	97.8	Very high	97.7	Very high	87 Å²	87	59.9 Å²	59.9	41%	0.407	28%	0.281	S	S	.	.	I	π-helix	trans	-79	-24.6	177.8	-68.9	-178.9	166.5	0	0	113.2	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.37Å; L133-E185 HydrophobicContact CD2-CG 3.65Å; L154-E185 HydrophobicContact CD1-CG 4.17Å; R181-E185 HydrophobicContact CG-CG 4.08Å; R181-E185 IonicContact CZ-OE1 3.11Å; R181-E185 VanDerWaalsContact CZ-OE1 3.22Å; R181-E185 IonicContact CZ-OE2 3.57Å; R181-E185 VanDerWaalsContact NE-CD 3.32Å; R181-E185 IonicContact NE-OE1 2.71Å; R181-E185 PolarHBondContact NE-OE1 3.46Å; R181-E185 IonicContact NE-OE2 3.67Å; R181-E185 PolarHBondContact NE-OE2 3.22Å; R181-E185 IonicContact NH2-OE1 3.32Å; R181-E185 PolarHBondContact NH2-OE1 2.82Å; R181-E185 IonicContact NH2-OE2 3.66Å; R181-E185 PolarHBondContact NH2-OE2 3.12Å; R181-E185 WeakPolarHBondContact O-CB 3.43Å; R181-E185 WeakPolarHBondContact O-CG 3.4Å; R181-E185 PolarHBondContact O-N 2.99Å
186	G	97.6	Very high	97.6	Very high	21 Å²	21	52.8 Å²	52.8	22%	0.216	26%	0.255	C	S	.	.	I	π-helix	trans	-109	-88.3	-177.5	0	0	0	0	0	112.5	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.47Å; A182-G186 VanDerWaalsContact O-N 3.12Å; G186-C188 VanDerWaalsContact C-N 3.34Å; G186-C188 PolarHBondContact O-N 3.25Å; G186-V189 PolarHBondContact O-N 3.45Å; G186-V189 VanDerWaalsContact O-N 3.16Å; G186-E190 WeakPolarHBondContact O-CG 3.42Å; G186-E190 PolarHBondContact O-N 3.05Å
187	T	97.4	Very high	97.5	Very high	51 Å²	51	58 Å²	58	31%	0.313	28%	0.277	S	S	.	.	I	π-helix	trans	-54.8	-44.8	-171	-56.7	0	0	0	0	112.9	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.94Å; Y183-T187 HydrophobicContact CE2-CG2 3.88Å; Y183-T187 PolarHBondContact O-N 3.24Å; Y183-T187 VanDerWaalsContact O-N 3.07Å; T187-V189 PolarHBondContact O-N 2.84Å; T187-E190 PolarHBondContact O-N 3.45Å; T187-W191 VanDerWaalsContact CG2-CD1 3.47Å; T187-W191 WeakPolarHBondContact O-CB 3.47Å; T187-W191 PolarHBondContact O-N 3.35Å
188	C	98.2	Very high	97.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.287	C	S	.	.	I	π-helix	trans	-60.3	-48.2	-179.6	-171.5	0	0	0	0	111.4	M29 C125 Y183 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 WeakPolarHBondContact CE-O 3.44Å; M29-C188 WeakPolarHBondContact CE-SG 3.49Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.47Å; C125-C188 PolarHBondContact N-SG 3.23Å; C125-C188 WeakPolarHBondContact SG-CB 3.43Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.83Å; Y183-C188 HydrophobicContact CE1-CB 4.12Å; Y183-C188 WeakPolarHBondContact O-CB 3.38Å; Y183-C188 PolarHBondContact O-N 2.84Å; G186-C188 VanDerWaalsContact C-N 3.34Å; G186-C188 PolarHBondContact O-N 3.25Å; C188-E190 PolarHBondContact O-N 3.04Å; C188-W191 PolarHBondContact O-N 3.33Å; C188-L192 WeakPolarHBondContact O-CB 3.32Å; C188-L192 PolarHBondContact O-N 3.03Å
189	V	98.2	Very high	97.4	Very high	7 Å²	7	54.7 Å²	54.7	4%	0.042	26%	0.263	C	S	.	.	H	α-helix	trans	-61.4	-45.7	177.9	175.3	0	0	0	0	111.4	L127 L133 L184 G186 T187 L192 R193	L127-V189 HydrophobicContact CD1-CG1 4.5Å; L127-V189 HydrophobicContact CD2-CB 4.13Å; L127-V189 HydrophobicContact CD2-CG1 3.75Å; L127-V189 HydrophobicContact CD2-CG2 3.8Å; L133-V189 HydrophobicContact CB-CG2 4Å; L133-V189 HydrophobicContact CD1-CG2 4.04Å; L184-V189 WeakPolarHBondContact O-CG2 3.34Å; G186-V189 PolarHBondContact O-N 3.45Å; G186-V189 VanDerWaalsContact O-N 3.16Å; T187-V189 PolarHBondContact O-N 2.84Å; V189-L192 PolarHBondContact O-N 3.39Å; V189-R193 VanDerWaalsContact CG1-CZ 3.42Å; V189-R193 WeakPolarHBondContact O-CG 3.36Å; V189-R193 PolarHBondContact O-N 3.19Å
190	E	97.9	Very high	97.2	Very high	124 Å²	124	52.8 Å²	52.8	58%	0.579	25%	0.252	S	S	*	.	H	α-helix	trans	-61.6	-45.7	179.8	-72.4	174.2	175.2	0	0	112.1	G186 T187 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3.42Å; G186-E190 PolarHBondContact O-N 3.05Å; T187-E190 PolarHBondContact O-N 3.45Å; C188-E190 PolarHBondContact O-N 3.04Å; E190-R194 PolarHBondContact O-N 3.5Å; E190-R194 VanDerWaalsContact O-N 3.09Å
191	W	97.9	Very high	97	Very high	45 Å²	45	60 Å²	60	17%	0.17	29%	0.285	C	S	.	.	H	α-helix	trans	-69.2	-41.9	179	-82.3	98.1	0	0	0	112.3	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.07Å; M29-W191 HydrophobicContact SD-CB 4.44Å; Y83-W191 AromaticContact CD2-CH2 3.47Å; Y83-W191 HydrophobicContact CD2-CH2 3.47Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.47Å; Y83-W191 HydrophobicContact CD2-CZ2 4.21Å; Y83-W191 AromaticContact CD2-CZ3 3.68Å; Y83-W191 HydrophobicContact CD2-CZ3 3.68Å; Y83-W191 HydrophobicContact CE2-CE3 4.15Å; Y83-W191 AromaticContact CE2-CH2 3.87Å; Y83-W191 HydrophobicContact CE2-CH2 3.87Å; Y83-W191 AromaticContact CE2-CZ3 3.65Å; Y83-W191 HydrophobicContact CE2-CZ3 3.65Å; T187-W191 VanDerWaalsContact CG2-CD1 3.47Å; T187-W191 WeakPolarHBondContact O-CB 3.47Å; T187-W191 PolarHBondContact O-N 3.35Å; C188-W191 PolarHBondContact O-N 3.33Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 3.07Å; W191-R194 WeakPolarHBondContact O-CB 3.17Å; W191-R194 PolarHBondContact O-N 3.03Å; W191-R194 VanDerWaalsContact O-N 3.16Å; W191-Y195 HydrophobicContact CB-CE2 4.05Å; W191-Y195 HydrophobicContact CE3-CD1 4.44Å; W191-Y195 AromaticContact CE3-CE1 3.54Å; W191-Y195 HydrophobicContact CE3-CE1 3.54Å; W191-Y195 HydrophobicContact CE3-CE2 4.21Å; W191-Y195 AromaticContact CE3-CZ 3.4Å; W191-Y195 AromaticContact CZ3-CE1 3.92Å; W191-Y195 HydrophobicContact CZ3-CE1 3.92Å; W191-Y195 VanDerWaalsContact O-CD2 3.26Å; W191-Y195 WeakPolarHBondContact O-CD2 3.26Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 2.84Å
192	L	98.2	Very high	96.6	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60	-44.7	176.1	174.7	50.5	0	0	0	111.2	H27 M29 V52 L127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.46Å; M29-L192 HydrophobicContact CB-CB 4.03Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.94Å; M29-L192 HydrophobicContact CB-CG 4.21Å; M29-L192 HydrophobicContact CE-CB 4.29Å; M29-L192 HydrophobicContact SD-CB 4.4Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.22Å; L127-L192 HydrophobicContact CB-CD2 4.49Å; L127-L192 HydrophobicContact CD1-CB 4.24Å; L127-L192 HydrophobicContact CD1-CD2 3.7Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.2Å; C188-L192 WeakPolarHBondContact O-CB 3.32Å; C188-L192 PolarHBondContact O-N 3.03Å; V189-L192 PolarHBondContact O-N 3.39Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.26Å; L192-Y195 PolarHBondContact O-N 2.83Å; L192-L196 HydrophobicContact CD1-CD1 3.84Å; L192-L196 HydrophobicContact CD1-CD2 4.36Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.04Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.49Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.47Å; L192-L196 PolarHBondContact O-N 2.83Å
193	R	96.9	Very high	96.3	Very high	118 Å²	118	55.8 Å²	55.8	45%	0.445	26%	0.26	S	S	.	.	H	α-helix	trans	-59.3	-43.2	174	-71.7	176.4	-173.6	155.7	-1.2	112.6	L127 G131 V189 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.91Å; G131-R193 VanDerWaalsContact O-CZ 3.27Å; G131-R193 PolarHBondContact O-NE 3.1Å; G131-R193 PolarHBondContact O-NH2 3.4Å; V189-R193 VanDerWaalsContact CG1-CZ 3.42Å; V189-R193 WeakPolarHBondContact O-CG 3.36Å; V189-R193 PolarHBondContact O-N 3.19Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 3.07Å; R193-L196 PolarHBondContact O-N 3.44Å; R193-E197 PolarHBondContact O-N 2.89Å
194	R	97.1	Very high	96	Very high	123 Å²	123	57.2 Å²	57.2	46%	0.464	27%	0.269	S	S	.	.	H	α-helix	trans	-61.3	-43.8	176.4	178.7	-179.9	174.8	118.7	-4.2	111.5	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 2.66Å; E79-R194 IonicContact OE1-NE 3.6Å; E79-R194 PolarHBondContact OE1-NE 3.16Å; E79-R194 IonicContact OE1-NH2 2.92Å; E79-R194 PolarHBondContact OE1-NH2 3.43Å; E79-R194 IonicContact OE2-CZ 3.58Å; E79-R194 IonicContact OE2-NE 3.35Å; E79-R194 IonicContact OE2-NH2 2.73Å; E79-R194 PolarHBondContact OE2-NH2 3.5Å; E190-R194 PolarHBondContact O-N 3.5Å; E190-R194 VanDerWaalsContact O-N 3.09Å; W191-R194 WeakPolarHBondContact O-CB 3.17Å; W191-R194 PolarHBondContact O-N 3.03Å; W191-R194 VanDerWaalsContact O-N 3.16Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.26Å; R194-E197 PolarHBondContact O-N 3.22Å; R194-N198 WeakPolarHBondContact O-CB 3.42Å; R194-N198 PolarHBondContact O-N 3.15Å; R194-N198 PolarHBondContact O-OD1 3.48Å
195	Y	97.5	Very high	95.7	Very high	1 Å²	1	61.4 Å²	61.4	0%	0.004	29%	0.285	C	S	.	.	H	α-helix	trans	-67.6	-39.6	178.6	-62.2	-32.8	0	0	0	112.6	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.69Å; M29-Y195 HydrophobicContact SD-CE2 3.54Å; M29-Y195 VanDerWaalsContact SD-CE2 3.54Å; V52-Y195 HydrophobicContact CG2-CD2 3.96Å; V52-Y195 HydrophobicContact CG2-CG 4.44Å; F57-Y195 HydrophobicContact CD2-CE2 4.42Å; F57-Y195 HydrophobicContact CE2-CD2 4.24Å; F57-Y195 AromaticContact CE2-CE2 3.59Å; F57-Y195 HydrophobicContact CE2-CE2 3.59Å; F57-Y195 AromaticContact CE2-CZ 3.76Å; F57-Y195 HydrophobicContact CZ-CD2 4.29Å; F57-Y195 AromaticContact CZ-CE2 3.74Å; F57-Y195 HydrophobicContact CZ-CE2 3.74Å; W75-Y195 HydrophobicContact CE3-CD1 4.22Å; W75-Y195 HydrophobicContact CE3-CG 4.47Å; W75-Y195 HydrophobicContact CH2-CG 4.14Å; W75-Y195 AromaticContact CZ3-CD1 3.57Å; W75-Y195 HydrophobicContact CZ3-CD1 3.57Å; W75-Y195 HydrophobicContact CZ3-CD2 4.31Å; W75-Y195 HydrophobicContact CZ3-CE1 4.29Å; W75-Y195 AromaticContact CZ3-CG 3.58Å; W75-Y195 HydrophobicContact CZ3-CG 3.58Å; V76-Y195 HydrophobicContact CG2-CE1 4.38Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.39Å; Y83-Y195 PolarHBondContact OH-OH 2.04Å; W191-Y195 HydrophobicContact CB-CE2 4.05Å; W191-Y195 HydrophobicContact CE3-CD1 4.44Å; W191-Y195 AromaticContact CE3-CE1 3.54Å; W191-Y195 HydrophobicContact CE3-CE1 3.54Å; W191-Y195 HydrophobicContact CE3-CE2 4.21Å; W191-Y195 AromaticContact CE3-CZ 3.4Å; W191-Y195 AromaticContact CZ3-CE1 3.92Å; W191-Y195 HydrophobicContact CZ3-CE1 3.92Å; W191-Y195 VanDerWaalsContact O-CD2 3.26Å; W191-Y195 WeakPolarHBondContact O-CD2 3.26Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 2.84Å; L192-Y195 PolarHBondContact O-N 2.83Å; Y195-E197 VanDerWaalsContact C-N 3.28Å; Y195-E197 PolarHBondContact O-N 2.96Å; Y195-N198 PolarHBondContact O-N 3.27Å; Y195-G199 WeakPolarHBondContact O-CA 3.29Å; Y195-G199 PolarHBondContact O-N 2.94Å; Y195-L203 WeakPolarHBondContact O-CD1 3.38Å
196	L	96.1	Very high	95.5	Very high	13 Å²	13	59.1 Å²	59.1	7%	0.068	28%	0.28	C	S	.	.	H	α-helix	trans	-62.5	-35.4	174.6	-71.1	169.8	0	0	0	112.4	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 3.99Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.35Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; L192-L196 HydrophobicContact CD1-CD1 3.84Å; L192-L196 HydrophobicContact CD1-CD2 4.36Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.04Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.49Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.47Å; L192-L196 PolarHBondContact O-N 2.83Å; R193-L196 PolarHBondContact O-N 3.44Å; L196-K200 WeakPolarHBondContact O-CA 3.28Å; L196-K200 WeakPolarHBondContact O-CB 3.32Å; L196-K200 PolarHBondContact O-N 3.4Å; L196-K200 VanDerWaalsContact O-N 3.12Å; L196-L203 HydrophobicContact CD2-CB 4.12Å; L196-L203 HydrophobicContact CD2-CD1 4.35Å; L196-Q204 HydrophobicContact CD2-CG 4.48Å; L196-Q204 PolarHBondContact O-NE2 2.97Å
197	E	95.9	Very high	95.4	Very high	126 Å²	126	61 Å²	61	59%	0.589	28%	0.284	S	S	*	.	H	α-helix	trans	-72.5	-48	174.4	-171.2	60.1	-151.5	0	0	111.2	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.89Å; R194-E197 PolarHBondContact O-N 3.22Å; Y195-E197 VanDerWaalsContact C-N 3.28Å; Y195-E197 PolarHBondContact O-N 2.96Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 3.32Å; E197-K200 WeakPolarHBondContact O-CB 3.49Å; E197-K200 PolarHBondContact O-N 3.49Å
198	N	96.8	Very high	95.4	Very high	52 Å²	52	61.8 Å²	61.8	28%	0.278	29%	0.29	S	S	.	.	H	α-helix	trans	-60.4	-40.2	179	-71.5	-4.5	0	0	0	112.7	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.39Å; Q78-N198 VanDerWaalsContact NE2-CB 3.27Å; Q78-N198 PolarHBondContact NE2-ND2 3.12Å; Q78-N198 PolarHBondContact NE2-OD1 3.16Å; E79-N198 PolarHBondContact OE1-ND2 3.29Å; R194-N198 WeakPolarHBondContact O-CB 3.42Å; R194-N198 PolarHBondContact O-N 3.15Å; R194-N198 PolarHBondContact O-OD1 3.48Å; Y195-N198 PolarHBondContact O-N 3.27Å
199	G	95.6	Very high	95.4	Very high	3 Å²	3	62.3 Å²	62.3	3%	0.031	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	20.6	-175.6	0	0	0	0	0	113.5	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.29Å; Y195-G199 PolarHBondContact O-N 2.94Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 3.32Å; G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 2.91Å; G199-E201 VanDerWaalsContact O-N 3.16Å; G199-T202 CarbonylContact O-C 3.53Å; G199-T202 PolarHBondContact O-N 2.97Å; G199-T202 PolarHBondContact O-OG1 3.38Å; G199-L203 WeakPolarHBondContact O-CB 3.22Å; G199-L203 PolarHBondContact O-N 3.14Å
200	K	93.7	Very high	95.3	Very high	110 Å²	110	69.4 Å²	69.4	48%	0.478	32%	0.323	S	S	.	.	H	α-helix	trans	-49.8	-44.4	-171.8	-177.2	172.7	-175	172.8	0	113.9	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.28Å; L196-K200 WeakPolarHBondContact O-CB 3.32Å; L196-K200 PolarHBondContact O-N 3.4Å; L196-K200 VanDerWaalsContact O-N 3.12Å; E197-K200 WeakPolarHBondContact O-CB 3.49Å; E197-K200 PolarHBondContact O-N 3.49Å; K200-T202 PolarHBondContact O-N 2.99Å; K200-Q204 WeakPolarHBondContact O-CB 3.34Å; K200-Q204 PolarHBondContact O-N 3.01Å; K200-Q204 VanDerWaalsContact O-N 3.15Å
201	E	91.4	Very high	95.3	Very high	180 Å²	180	65.5 Å²	65.5	84%	0.841	31%	0.308	S	S	*	.	H	α-helix	trans	-65	-24.6	180	-62.1	-174.7	165.7	0	0	113.5	G199 R205	G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 2.91Å; G199-E201 VanDerWaalsContact O-N 3.16Å; E201-R205 WeakPolarHBondContact O-CD 3.15Å
202	T	90.9	Very high	95.2	Very high	43 Å²	43	67.3 Å²	67.3	26%	0.264	32%	0.318	S	S	.	.	H	α-helix	trans	-104.1	-35.5	-177.8	50.5	0	0	0	0	114.1	W75 G199 K200 R205	W75-T202 VanDerWaalsContact CD1-OG1 3.24Å; G199-T202 CarbonylContact O-C 3.53Å; G199-T202 PolarHBondContact O-N 2.97Å; G199-T202 PolarHBondContact O-OG1 3.38Å; K200-T202 PolarHBondContact O-N 2.99Å; T202-R205 WeakPolarHBondContact O-CG 3.48Å; T202-R205 PolarHBondContact O-NE 3.24Å
203	L	92.3	Very high	95.2	Very high	4 Å²	4	68.5 Å²	68.5	2%	0.021	33%	0.326	C	S	.	.	H	α-helix	trans	-95.2	-26.3	-171.9	-63.4	172.2	0	0	0	112.6	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.28Å; V52-L203 HydrophobicContact CB-CD2 4.13Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CG1-CG 4.49Å; T55-L203 HydrophobicContact CG2-CD2 4.09Å; W75-L203 HydrophobicContact CD2-CD1 4.4Å; W75-L203 HydrophobicContact CH2-CD1 4.34Å; W75-L203 HydrophobicContact CZ2-CD1 3.82Å; W75-L203 HydrophobicContact CZ2-CD2 4.09Å; W75-L203 HydrophobicContact CZ2-CG 4.38Å; Y195-L203 WeakPolarHBondContact O-CD1 3.38Å; L196-L203 HydrophobicContact CD2-CB 4.12Å; L196-L203 HydrophobicContact CD2-CD1 4.35Å; G199-L203 WeakPolarHBondContact O-CB 3.22Å; G199-L203 PolarHBondContact O-N 3.14Å
204	Q	90.6	Very high	95.2	Very high	93 Å²	93	64.4 Å²	64.4	44%	0.435	31%	0.314	S	S	.	.	S	Bend	trans	-105.6	24.4	178.1	-57.9	179.4	39.5	0	0	111.4	L196 K200	L196-Q204 HydrophobicContact CD2-CG 4.48Å; L196-Q204 PolarHBondContact O-NE2 2.97Å; K200-Q204 WeakPolarHBondContact O-CB 3.34Å; K200-Q204 PolarHBondContact O-N 3.01Å; K200-Q204 VanDerWaalsContact O-N 3.15Å
205	R	91.4	Very high	95.1	Very high	89 Å²	89	61.1 Å²	61.1	34%	0.336	30%	0.303	S	S	.	.			trans	-98.9	147	171.7	78.2	-172.9	179.7	-168.8	10.9	109	E201 T202 E207 Y233	E201-R205 WeakPolarHBondContact O-CD 3.15Å; T202-R205 WeakPolarHBondContact O-CG 3.48Å; T202-R205 PolarHBondContact O-NE 3.24Å; R205-E207 IonicContact CZ-OE1 3.47Å; R205-E207 IonicContact NE-OE1 2.79Å; R205-E207 PolarHBondContact NE-OE1 2.79Å; R205-E207 IonicContact NH1-OE1 2.73Å; R205-E207 IonicContact NH2-OE1 3.2Å; R205-E207 PolarHBondContact NH2-OE1 3.47Å; R205-Y233 HydrophobicContact CG-CD1 4.16Å; R205-Y233 HydrophobicContact CG-CE1 4.46Å; R205-Y233 VanDerWaalsContact O-CD1 3.27Å; R205-Y233 WeakPolarHBondContact O-CD1 3.35Å; R205-Y233 WeakPolarHBondContact O-CE1 3.47Å
206	A	93.8	Very high	95	Very high	38 Å²	38	64.8 Å²	64.8	31%	0.314	32%	0.32	S	S	.	.			trans	-119.7	122.3	164.6	0	0	0	0	0	108.4	Y233 E288	A206-Y233 CarbonylContact C-O 3.59Å; A206-Y233 WeakPolarHBondContact CA-O 3.49Å; A206-E288 WeakPolarHBondContact CB-O 3.41Å
207	E	95.5	Very high	94.9	Very high	61 Å²	61	68.8 Å²	68.8	29%	0.285	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-100.6	114.5	176.3	-68.3	-174.5	-126.5	0	0	108.5	R205 F232 Y233 H287	R205-E207 IonicContact CZ-OE1 3.47Å; R205-E207 IonicContact NE-OE1 2.79Å; R205-E207 PolarHBondContact NE-OE1 2.79Å; R205-E207 IonicContact NH1-OE1 2.73Å; R205-E207 IonicContact NH2-OE1 3.2Å; R205-E207 PolarHBondContact NH2-OE1 3.47Å; E207-F232 WeakPolarHBondContact O-CA 3.45Å; E207-F232 WeakPolarHBondContact O-CB 3.02Å; E207-Y233 PolarHBondContact N-O 3.1Å; E207-Y233 PolarHBondContact O-N 3.11Å; E207-Y233 VanDerWaalsContact O-N 3.08Å; E207-H287 PolarHBondContact O-CE1 3.35Å
208	P	97	Very high	94.6	Very high	68 Å²	68	67.8 Å²	67.8	44%	0.442	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-68.1	148.1	-179.5	25.7	-32.8	0	0	0	111.6	L290	P208-L290 HydrophobicContact CB-CD2 3.87Å
209	P	97.9	Very high	94.4	Very high	11 Å²	11	68 Å²	68	7%	0.071	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-66	137.8	179	26.4	-34	0	0	0	112.1	T211 A229 F232 I237 M285 H287 L290	P209-T211 HydrophobicContact CB-CG2 4Å; P209-T211 HydrophobicContact CG-CG2 4.09Å; P209-T211 PolarHBondContact O-N 2.86Å; P209-A229 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.19Å; P209-I237 HydrophobicContact CB-CD1 4.23Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; P209-M285 HydrophobicContact CB-SD 3.9Å; P209-M285 HydrophobicContact CG-CG 4.49Å; P209-M285 HydrophobicContact CG-SD 3.38Å; P209-M285 WeakPolarHBondContact CG-SD 3.24Å; P209-H287 HydrophobicContact CG-CB 4.29Å; P209-L290 HydrophobicContact CG-CD1 4.14Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.4Å
210	K	97.8	Very high	94.1	Very high	155 Å²	155	74.8 Å²	74.8	67%	0.674	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	117	161.4	-65.3	171.4	-173.5	164.1	0	108.1	L230	K210-L230 HydrophobicContact CB-CB 4.47Å; K210-L230 PolarHBondContact N-O 2.8Å; K210-L230 PolarHBondContact O-N 2.88Å
211	T	97.2	Very high	94.1	Very high	42 Å²	42	76.4 Å²	76.4	26%	0.258	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	144.7	-170	62.5	0	0	0	0	113.3	P209 W228 M285 L294 L296	P209-T211 HydrophobicContact CB-CG2 4Å; P209-T211 HydrophobicContact CG-CG2 4.09Å; P209-T211 PolarHBondContact O-N 2.86Å; T211-W228 VanDerWaalsContact CA-O 3.25Å; T211-W228 WeakPolarHBondContact CA-O 3.2Å; T211-M285 HydrophobicContact CG2-CE 3.5Å; T211-M285 VanDerWaalsContact CG2-CE 3.5Å; T211-M285 HydrophobicContact CG2-SD 3.39Å; T211-M285 WeakPolarHBondContact CG2-SD 3.42Å; T211-L294 HydrophobicContact CG2-CD1 4.27Å; T211-L296 VanDerWaalsContact CB-CD1 3.48Å; T211-L296 HydrophobicContact CG2-CD1 4.06Å
212	H	95.9	Very high	94.3	Very high	83 Å²	83	72.3 Å²	72.3	38%	0.384	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	157.7	168.3	61.9	-73.4	0	0	0	110.8	T214 W228	H212-T214 VanDerWaalsContact CD2-CG2 3.49Å; H212-T214 WeakPolarHBondContact CD2-CG2 3.39Å; H212-W228 AromaticContact CD2-CD1 3.91Å; H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.47Å; H212-W228 AromaticContact CE1-CD1 3.84Å; H212-W228 AromaticContact CE1-CG 3.61Å; H212-W228 PolarHBondContact N-O 3.3Å; H212-W228 AromaticContact NE2-CD1 3.43Å; H212-W228 AromaticContact NE2-CG 3.67Å; H212-W228 AromaticContact NE2-NE1 4Å; H212-W228 PolarHBondContact O-N 2.82Å
213	V	97.7	Very high	94.5	Very high	26 Å²	26	70.3 Å²	70.3	16%	0.158	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	126.9	174.9	-177.4	0	0	0	0	109.1	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.44Å; V213-L225 HydrophobicContact CG1-CD2 4.48Å; V213-R226 WeakPolarHBondContact CA-O 3.28Å; V213-C227 HydrophobicContact CG2-CB 4.48Å; V213-W241 HydrophobicContact CG1-CH2 3.91Å; V213-W241 HydrophobicContact CG1-CZ2 4.38Å; V213-W241 HydrophobicContact CG2-CH2 4.46Å; V213-L296 HydrophobicContact CG2-CB 3.89Å; V213-W298 HydrophobicContact CB-CB 4.47Å; V213-W298 HydrophobicContact CG1-CB 3.81Å
214	T	96.4	Very high	94.8	Very high	31 Å²	31	70.9 Å²	70.9	19%	0.19	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	143.2	177.1	54.3	0	0	0	0	110.2	H212 H216 L225 R226 W228	H212-T214 VanDerWaalsContact CD2-CG2 3.49Å; H212-T214 WeakPolarHBondContact CD2-CG2 3.39Å; T214-H216 PolarHBondContact OG1-CE1 3.42Å; T214-H216 VanDerWaalsContact OG1-CE1 3.29Å; T214-L225 WeakPolarHBondContact O-CA 3.35Å; T214-R226 PolarHBondContact N-O 2.95Å; T214-R226 PolarHBondContact O-N 2.84Å; T214-R226 WeakPolarHBondContact OG1-CB 3.05Å; T214-R226 PolarHBondContact OG1-O 2.85Å; T214-R226 VanDerWaalsContact OG1-O 3.11Å; T214-W228 PolarHBondContact OG1-NE1 3.39Å
215	H	95.9	Very high	95.1	Very high	54 Å²	54	66.5 Å²	66.5	25%	0.25	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124.7	179.7	169.5	-90.3	0	0	0	109.8	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.41Å; H215-L225 HydrophobicContact CB-CD2 3.99Å; H215-E278 IonicContact NE2-OE1 3.46Å; H215-W298 HydrophobicContact CB-CD2 4.16Å; H215-W298 HydrophobicContact CB-CG 4.2Å; H215-W298 HydrophobicContact CB-CZ2 4.02Å; H215-W298 VanDerWaalsContact CB-NE1 3.26Å; H215-W298 AromaticContact CG-CE2 3.81Å; H215-W298 AromaticContact CG-CZ2 3.83Å
216	H	94.4	Very high	95.4	Very high	78 Å²	78	64.6 Å²	64.6	36%	0.361	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	105.8	-179.1	-58.8	82.6	0	0	0	109.3	T214 L218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 3.42Å; T214-H216 VanDerWaalsContact OG1-CE1 3.29Å; H216-L218 PolarHBondContact O-N 2.63Å; H216-A223 CarbonylContact O-C 3.56Å; H216-A223 WeakPolarHBondContact O-CA 3.48Å; H216-T224 PolarHBondContact N-O 2.79Å; H216-T224 PolarHBondContact O-N 2.91Å; H216-R226 PolarHBondContact CE1-NH1 2.99Å; H216-R226 VanDerWaalsContact CE1-NH1 3.29Å
217	P	93.9	Very high	95.6	Very high	98 Å²	98	62.8 Å²	62.8	64%	0.636	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.1	130.5	174.1	-19.3	29.8	0	0	0	110.6
218	L	91.2	Very high	95.8	Very high	104 Å²	104	62.2 Å²	62.2	55%	0.545	32%	0.321	S	S	.	.			trans	-100.6	-40.3	173.1	-65.1	179	0	0	0	111	H216 E222 T224 V272	H216-L218 PolarHBondContact O-N 2.63Å; L218-E222 PolarHBondContact N-O 3Å; L218-T224 WeakPolarHBondContact CD1-OG1 3.22Å; L218-V272 HydrophobicContact CD1-CG1 4.21Å; L218-V272 HydrophobicContact CD1-CG2 4.23Å
219	S	92.4	Very high	95.8	Very high	56 Å²	56	59 Å²	59	39%	0.392	30%	0.299	S	S	.	.	S	Bend	trans	-151	-177.6	176.7	71.6	0	0	0	0	110.2	H221 E222	S219-H221 PolarHBondContact O-N 3.09Å; S219-H221 PolarHBondContact OG-N 3.01Å; S219-H221 VanDerWaalsContact OG-N 3.14Å; S219-E222 PolarHBondContact N-O 3.4Å; S219-E222 VanDerWaalsContact O-O 3.13Å; S219-E222 PolarHBondContact OG-N 2.81Å
220	D	89.2	Confident	95.9	Very high	147 Å²	147	60.9 Å²	60.9	79%	0.786	31%	0.309	S	S	*	.	S	Bend	trans	-63.3	-19.1	172	-65.5	-22.9	0	0	0	112.6	S275	D220-S275 PolarHBondContact O-OG 3.19Å
221	H	93.3	Very high	95.8	Very high	144 Å²	144	54.4 Å²	54.4	67%	0.667	29%	0.286	S	S	*	.	S	Bend	trans	-107.5	-16.9	-173.5	-55.7	-47	0	0	0	114.1	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.09Å; S219-H221 PolarHBondContact OG-N 3.01Å; S219-H221 VanDerWaalsContact OG-N 3.14Å; H221-P274 CarbonylContact O-C 3.42Å; H221-P274 WeakPolarHBondContact O-CA 3.49Å; H221-S275 PolarHBondContact O-N 3Å; H221-S275 PolarHBondContact O-OG 2.81Å
222	E	95.4	Very high	95.9	Very high	93 Å²	93	52.4 Å²	52.4	44%	0.435	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	147	-171.6	-66.3	-179.8	167.9	0	0	112.4	L218 S219 V272 V273 S275	L218-E222 PolarHBondContact N-O 3Å; S219-E222 PolarHBondContact N-O 3.4Å; S219-E222 VanDerWaalsContact O-O 3.13Å; S219-E222 PolarHBondContact OG-N 2.81Å; E222-V272 HydrophobicContact CB-CG1 4.13Å; E222-V272 HydrophobicContact CG-CG1 4.37Å; E222-V273 WeakPolarHBondContact CA-O 3.41Å; E222-S275 PolarHBondContact N-OG 2.92Å
223	A	95.9	Very high	95.9	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.008	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	156.9	172.4	0	0	0	0	0	110.9	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.41Å; H216-A223 CarbonylContact O-C 3.56Å; H216-A223 WeakPolarHBondContact O-CA 3.48Å; A223-V272 WeakPolarHBondContact O-CA 3.34Å; A223-V273 HydrophobicContact CB-CG2 4.47Å; A223-V273 PolarHBondContact N-O 2.83Å; A223-V273 PolarHBondContact O-N 3.16Å
224	T	97.4	Very high	95.8	Very high	17 Å²	17	48.2 Å²	48.2	10%	0.104	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	122.5	169.4	-54.5	0	0	0	0	109.8	H216 L218 A270 V271	H216-T224 PolarHBondContact N-O 2.79Å; H216-T224 PolarHBondContact O-N 2.91Å; L218-T224 WeakPolarHBondContact CD1-OG1 3.22Å; T224-A270 HydrophobicContact CG2-CB 3.87Å; T224-V271 WeakPolarHBondContact CA-O 3.26Å
225	L	97.9	Very high	95.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	128.5	163.6	-63.3	-175.5	0	0	0	108.8	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.44Å; V213-L225 HydrophobicContact CG1-CD2 4.48Å; T214-L225 WeakPolarHBondContact O-CA 3.35Å; H215-L225 HydrophobicContact CB-CD2 3.99Å; L225-W241 HydrophobicContact CB-CH2 3.71Å; L225-W241 HydrophobicContact CB-CZ2 3.81Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 4.09Å; L225-W241 HydrophobicContact CD1-CZ3 4.25Å; L225-A270 CarbonylContact O-C 3.49Å; L225-A270 WeakPolarHBondContact O-CA 3.47Å; L225-V271 HydrophobicContact CB-CG1 4.23Å; L225-V271 PolarHBondContact N-O 3.06Å; L225-V271 PolarHBondContact O-N 2.81Å; L225-V273 HydrophobicContact CD1-CG1 3.99Å; L225-V273 HydrophobicContact CD1-CG2 4.09Å; L225-V273 HydrophobicContact CG-CG1 4.12Å; L225-V273 HydrophobicContact CG-CG2 3.84Å; L225-E278 HydrophobicContact CD1-CB 4.11Å; L225-E278 HydrophobicContact CD2-CB 4.49Å; L225-E278 HydrophobicContact CD2-CG 4.34Å; L225-W298 HydrophobicContact CD1-CB 4.32Å; L225-W298 HydrophobicContact CD2-CB 3.8Å; L225-W298 HydrophobicContact CD2-CD2 4.36Å; L225-W298 HydrophobicContact CD2-CG 3.92Å
226	R	98.1	Very high	95.8	Very high	50 Å²	50	51.6 Å²	51.6	19%	0.189	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	117.9	176	179.5	-175.4	-60.1	115.7	3.5	110.5	V213 T214 H216 W228 W268 A269 A270	V213-R226 WeakPolarHBondContact CA-O 3.28Å; T214-R226 PolarHBondContact N-O 2.95Å; T214-R226 PolarHBondContact O-N 2.84Å; T214-R226 WeakPolarHBondContact OG1-CB 3.05Å; T214-R226 PolarHBondContact OG1-O 2.85Å; T214-R226 VanDerWaalsContact OG1-O 3.11Å; H216-R226 PolarHBondContact CE1-NH1 2.99Å; H216-R226 VanDerWaalsContact CE1-NH1 3.29Å; R226-W228 HydrophobicContact CG-CZ2 4.39Å; R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.09Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.2Å; R226-A269 WeakPolarHBondContact CA-O 3.49Å; R226-A270 HydrophobicContact CB-CB 3.96Å; R226-A270 HydrophobicContact CG-CB 4.12Å
227	C	98.1	Very high	95.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	122.8	176.8	-176.6	0	0	0	0	109.4	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.48Å; C227-W241 HydrophobicContact CB-CH2 4.4Å; C227-W241 HydrophobicContact CB-CZ2 3.6Å; C227-W268 CarbonylContact O-C 3.55Å; C227-W268 WeakPolarHBondContact O-CA 3.48Å; C227-W268 WeakPolarHBondContact O-CB 3.46Å; C227-A269 PolarHBondContact N-O 3.14Å; C227-A269 PolarHBondContact O-N 2.77Å; C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.34Å; C227-C283 WeakPolarHBondContact SG-CB 3.08Å; C227-C283 CovalentContact SG-SG 2.04Å; C227-C283 PolarHBondContact SG-SG 3.41Å
228	W	98.3	Very high	96	Very high	48 Å²	48	46.6 Å²	46.6	18%	0.182	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	139.3	-178	-69.1	89.2	0	0	0	111.1	T211 H212 T214 R226 L230 W268	T211-W228 VanDerWaalsContact CA-O 3.25Å; T211-W228 WeakPolarHBondContact CA-O 3.2Å; H212-W228 AromaticContact CD2-CD1 3.91Å; H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.47Å; H212-W228 AromaticContact CE1-CD1 3.84Å; H212-W228 AromaticContact CE1-CG 3.61Å; H212-W228 PolarHBondContact N-O 3.3Å; H212-W228 AromaticContact NE2-CD1 3.43Å; H212-W228 AromaticContact NE2-CG 3.67Å; H212-W228 AromaticContact NE2-NE1 4Å; H212-W228 PolarHBondContact O-N 2.82Å; T214-W228 PolarHBondContact OG1-NE1 3.39Å; R226-W228 HydrophobicContact CG-CZ2 4.39Å; W228-L230 HydrophobicContact CE3-CD2 3.9Å; W228-L230 HydrophobicContact CZ3-CD2 4.44Å; W228-W268 HydrophobicContact CD2-CB 3.96Å; W228-W268 HydrophobicContact CD2-CG 4.43Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.81Å; W228-W268 HydrophobicContact CE3-CG 4.13Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.7Å; W228-W268 HydrophobicContact CH2-CG 4.31Å; W228-W268 HydrophobicContact CZ3-CB 4.33Å; W228-W268 AromaticContact CZ3-CD1 3.38Å; W228-W268 HydrophobicContact CZ3-CG 4.08Å
229	A	98.4	Very high	96.2	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	121.7	163.4	0	0	0	0	0	107.8	P209 F232 I237 L239 Q266 K267 M285	P209-A229 HydrophobicContact CB-CB 3.86Å; A229-F232 HydrophobicContact CB-CD1 3.93Å; A229-F232 HydrophobicContact CB-CE1 3.66Å; A229-F232 WeakPolarHBondContact O-CE1 3.25Å; A229-I237 HydrophobicContact CB-CD1 3.69Å; A229-L239 HydrophobicContact CB-CD1 4.12Å; A229-L239 HydrophobicContact CB-CD2 4.27Å; A229-Q266 CarbonylContact O-C 3.57Å; A229-Q266 VanDerWaalsContact O-CA 3.26Å; A229-Q266 WeakPolarHBondContact O-CA 3.27Å; A229-K267 PolarHBondContact N-O 3.1Å; A229-K267 PolarHBondContact O-N 2.81Å; A229-K267 VanDerWaalsContact O-O 3.09Å; A229-M285 HydrophobicContact CB-CE 3.71Å; A229-M285 HydrophobicContact CB-SD 3.92Å
230	L	98.3	Very high	96.5	Very high	52 Å²	52	41.3 Å²	41.3	27%	0.272	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	145.1	-176.4	-58.8	177.1	0	0	0	111.1	K210 W228 F232 Q266	K210-L230 HydrophobicContact CB-CB 4.47Å; K210-L230 PolarHBondContact N-O 2.8Å; K210-L230 PolarHBondContact O-N 2.88Å; W228-L230 HydrophobicContact CE3-CD2 3.9Å; W228-L230 HydrophobicContact CZ3-CD2 4.44Å; L230-F232 PolarHBondContact O-N 3.35Å; L230-Q266 HydrophobicContact CD2-CB 3.58Å
231	G	97.6	Very high	96.9	Very high	18 Å²	18	34.4 Å²	34.4	19%	0.186	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69	33.2	168.9	0	0	0	0	0	113.8	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.4Å; G231-F265 PolarHBondContact N-O 3.29Å
232	F	97.5	Very high	97.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	156.5	179.5	59.9	-89.9	0	0	0	112.3	E207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.45Å; E207-F232 WeakPolarHBondContact O-CB 3.02Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.19Å; A229-F232 HydrophobicContact CB-CD1 3.93Å; A229-F232 HydrophobicContact CB-CE1 3.66Å; A229-F232 WeakPolarHBondContact O-CE1 3.25Å; L230-F232 PolarHBondContact O-N 3.35Å; F232-P234 WeakPolarHBondContact CD2-O 3.35Å; F232-I237 HydrophobicContact CD1-CD1 4.01Å; F232-I237 HydrophobicContact CD2-CB 4.32Å; F232-I237 HydrophobicContact CD2-CD1 4.03Å; F232-I237 HydrophobicContact CE1-CD1 3.92Å; F232-I237 HydrophobicContact CE1-CG2 4.46Å; F232-I237 HydrophobicContact CE2-CB 3.77Å; F232-I237 HydrophobicContact CE2-CD1 3.97Å; F232-I237 HydrophobicContact CE2-CG1 4.45Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 4.08Å; F232-I237 HydrophobicContact CZ-CB 4.16Å; F232-I237 HydrophobicContact CZ-CD1 3.93Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; F232-T257 HydrophobicContact CE2-CG2 4.11Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; F232-T264 WeakPolarHBondContact O-CA 3.33Å; F232-F265 VanDerWaalsContact CD1-O 3.32Å; F232-F265 WeakPolarHBondContact CD1-O 3.29Å; F232-F265 HydrophobicContact CD2-CB 3.95Å; F232-F265 HydrophobicContact CE1-CB 4.25Å; F232-F265 WeakPolarHBondContact CE1-O 3.45Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 VanDerWaalsContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 3.41Å; F232-F265 PolarHBondContact O-N 3.1Å; F232-K267 HydrophobicContact CE1-CB 4.35Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; F232-H287 AromaticContact CD2-CD2 3.77Å; F232-H287 AromaticContact CD2-NE2 3.66Å
233	Y	96.3	Very high	97.2	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.016	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-151.7	137	173.8	177.5	-84.2	0	0	0	109	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.11Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.47Å; T55-Y233 PolarHBondContact OG1-OH 2.87Å; T55-Y233 VanDerWaalsContact OG1-OH 3.06Å; R205-Y233 HydrophobicContact CG-CD1 4.16Å; R205-Y233 HydrophobicContact CG-CE1 4.46Å; R205-Y233 VanDerWaalsContact O-CD1 3.27Å; R205-Y233 WeakPolarHBondContact O-CD1 3.35Å; R205-Y233 WeakPolarHBondContact O-CE1 3.47Å; A206-Y233 CarbonylContact C-O 3.59Å; A206-Y233 WeakPolarHBondContact CA-O 3.49Å; E207-Y233 PolarHBondContact N-O 3.1Å; E207-Y233 PolarHBondContact O-N 3.11Å; E207-Y233 VanDerWaalsContact O-N 3.08Å; Y233-G263 WeakPolarHBondContact CD2-O 3.46Å; Y233-F265 HydrophobicContact CD2-CD2 4.47Å; Y233-F265 HydrophobicContact CD2-CE2 4.02Å; Y233-H287 PolarHBondContact O-CE1 3.23Å
234	P	95.4	Very high	97.1	Very high	18 Å²	18	33.5 Å²	33.5	12%	0.117	17%	0.171	C	C	.	.	S	Bend	cis	-72.9	-179.8	2.2	30.7	-36.3	0	0	0	113.2	D54 F232 E236 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.29Å; D54-P234 WeakPolarHBondContact OD2-CB 3.46Å; F232-P234 WeakPolarHBondContact CD2-O 3.35Å; P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.06Å; P234-H287 PolarHBondContact O-NE2 3.2Å; P234-E288 WeakPolarHBondContact CD-OE2 3.37Å; P234-E288 VanDerWaalsContact CG-OE2 3.22Å; P234-E288 WeakPolarHBondContact CG-OE2 3.28Å
235	A	96.5	Very high	96.8	Very high	14 Å²	14	35 Å²	35	12%	0.116	19%	0.19	C	C	.	.	S	Bend	trans	-70.7	-24.5	-175	0	0	0	0	0	113.8	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.33Å; D54-A235 VanDerWaalsContact OD2-CB 3.32Å; D54-A235 WeakPolarHBondContact OD2-CB 3.41Å; D54-A235 PolarHBondContact OD2-N 3.23Å; A235-I237 PolarHBondContact O-N 3.24Å; A235-T257 HydrophobicContact CB-CG2 4.28Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.7Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.74Å; A235-F265 HydrophobicContact CB-CZ 3.7Å
236	E	95.6	Very high	96.7	Very high	142 Å²	142	41.2 Å²	41.2	66%	0.664	22%	0.219	S	C	*	.			trans	-65.7	115.9	179.9	-171.2	58.2	-143.6	0	0	110.1	P234 H287	P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.06Å; E236-H287 PolarHBondContact O-CD2 2.71Å; E236-H287 VanDerWaalsContact O-CD2 3.23Å
237	I	96	Very high	96.6	Very high	11 Å²	11	43.2 Å²	43.2	6%	0.056	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	138.9	-178.7	-164.1	171.2	0	0	0	109.6	P209 A229 F232 A235 L239 K267 M285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.23Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; A229-I237 HydrophobicContact CB-CD1 3.69Å; F232-I237 HydrophobicContact CD1-CD1 4.01Å; F232-I237 HydrophobicContact CD2-CB 4.32Å; F232-I237 HydrophobicContact CD2-CD1 4.03Å; F232-I237 HydrophobicContact CE1-CD1 3.92Å; F232-I237 HydrophobicContact CE1-CG2 4.46Å; F232-I237 HydrophobicContact CE2-CB 3.77Å; F232-I237 HydrophobicContact CE2-CD1 3.97Å; F232-I237 HydrophobicContact CE2-CG1 4.45Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 4.08Å; F232-I237 HydrophobicContact CZ-CB 4.16Å; F232-I237 HydrophobicContact CZ-CD1 3.93Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; A235-I237 PolarHBondContact O-N 3.24Å; I237-L239 HydrophobicContact CB-CD1 4.39Å; I237-L239 HydrophobicContact CD1-CD1 3.63Å; I237-L239 HydrophobicContact CG1-CD1 3.61Å; I237-L239 HydrophobicContact CG2-CD1 3.98Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.57Å; I237-M285 HydrophobicContact CD1-CG 4.14Å; I237-M285 HydrophobicContact CD1-SD 4.02Å; I237-M285 HydrophobicContact CG1-CG 4.37Å; I237-Q286 WeakPolarHBondContact CG1-O 3.47Å; I237-H287 HydrophobicContact CD1-CB 4.11Å; I237-H287 HydrophobicContact CG1-CB 3.92Å
238	T	96.7	Very high	96.4	Very high	60 Å²	60	43.9 Å²	43.9	37%	0.368	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.6	174.9	-62.2	0	0	0	0	110	T240 M285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.15Å; T238-M285 VanDerWaalsContact O-CA 3.31Å; T238-M285 WeakPolarHBondContact O-CA 3.38Å; T238-Q286 PolarHBondContact N-O 2.9Å; T238-Q286 PolarHBondContact O-N 3.18Å
239	L	97.1	Very high	96	Very high	6 Å²	6	46.6 Å²	46.6	3%	0.031	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	121.3	175.2	-89.1	74.9	0	0	0	108.7	A229 I237 L254 K267 A269 H284 M285	A229-L239 HydrophobicContact CB-CD1 4.12Å; A229-L239 HydrophobicContact CB-CD2 4.27Å; I237-L239 HydrophobicContact CB-CD1 4.39Å; I237-L239 HydrophobicContact CD1-CD1 3.63Å; I237-L239 HydrophobicContact CG1-CD1 3.61Å; I237-L239 HydrophobicContact CG2-CD1 3.98Å; L239-L254 HydrophobicContact CB-CD1 4.12Å; L239-K267 HydrophobicContact CD1-CD 4.18Å; L239-A269 HydrophobicContact CB-CB 4.16Å; L239-A269 HydrophobicContact CD2-CB 4.28Å; L239-H284 WeakPolarHBondContact CA-O 3.37Å; L239-M285 HydrophobicContact CD1-CE 4.11Å; L239-M285 HydrophobicContact CD1-CG 4.06Å; L239-M285 HydrophobicContact CD1-SD 4.43Å; L239-M285 HydrophobicContact CD2-CE 4.12Å; L239-M285 HydrophobicContact CG-CE 3.98Å; L239-M285 HydrophobicContact CG-CG 4.44Å
240	T	97.2	Very high	95.6	Very high	42 Å²	42	55.7 Å²	55.7	26%	0.258	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	142.4	176.8	57.5	0	0	0	0	111.2	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.15Å; T240-C283 CarbonylContact O-C 3.53Å; T240-C283 WeakPolarHBondContact O-CA 3.21Å; T240-H284 PolarHBondContact N-O 3.49Å; T240-H284 PolarHBondContact O-N 3.39Å; T240-H284 WeakPolarHBondContact OG1-CB 3.44Å
241	W	98	Very high	95.1	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.008	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	136.2	168.2	-82.7	105.1	0	0	0	109.7	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.91Å; V213-W241 HydrophobicContact CG1-CZ2 4.38Å; V213-W241 HydrophobicContact CG2-CH2 4.46Å; L225-W241 HydrophobicContact CB-CH2 3.71Å; L225-W241 HydrophobicContact CB-CZ2 3.81Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 4.09Å; L225-W241 HydrophobicContact CD1-CZ3 4.25Å; C227-W241 HydrophobicContact CB-CH2 4.4Å; C227-W241 HydrophobicContact CB-CZ2 3.6Å; W241-Q248 HydrophobicContact CB-CB 4.29Å; W241-Q248 PolarHBondContact O-N 3.37Å; W241-A269 VanDerWaalsContact NE1-C 3.34Å; W241-A269 PolarHBondContact NE1-O 3.04Å; 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 4.01Å; W241-V271 HydrophobicContact CG-CB 4.12Å; W241-V271 HydrophobicContact CG-CG1 3.76Å; W241-V271 HydrophobicContact CZ2-CG1 4.32Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; W241-C283 HydrophobicContact CD2-CB 4.18Å; W241-C283 HydrophobicContact CE3-CB 4.08Å; W241-C283 HydrophobicContact CH2-CB 4.01Å; W241-C283 HydrophobicContact CZ2-CB 4.12Å; W241-C283 HydrophobicContact CZ3-CB 3.99Å
242	Q	97.6	Very high	95	Very high	39 Å²	39	58.8 Å²	58.8	18%	0.182	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	146.1	171.8	-69	-172.1	-5.2	0	0	110.3	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.26Å; Q242-E246 WeakPolarHBondContact CA-O 3.46Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.43Å; Q242-D247 PolarHBondContact NE2-OD1 2.85Å; Q242-Y281 CarbonylContact O-C 3.58Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.39Å; Q242-T282 PolarHBondContact N-O 3.46Å; Q242-T282 PolarHBondContact O-N 3.13Å; Q242-H284 PolarHBondContact OE1-CE1 3.03Å; Q242-H284 PolarHBondContact OE1-NE2 3.03Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.08Å
243	R	97.1	Very high	94.9	Very high	82 Å²	82	64.3 Å²	64.3	31%	0.309	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	117	168.2	-177.4	-177.8	68	-163.5	-5.8	108.5	G245 E246 Q248 R280 Y281	R243-G245 PolarHBondContact O-N 2.97Å; R243-G245 VanDerWaalsContact O-N 3.09Å; R243-E246 PolarHBondContact N-O 3.26Å; R243-E246 PolarHBondContact O-N 3.46Å; R243-Q248 HydrophobicContact CB-CG 3.96Å; R243-R280 WeakPolarHBondContact CA-O 3.34Å; R243-R280 HydrophobicContact CG-CB 4.39Å; R243-Y281 HydrophobicContact CB-CD1 4.12Å; R243-Y281 HydrophobicContact CB-CE1 3.95Å; R243-Y281 WeakPolarHBondContact CD-OH 3.44Å; R243-Y281 HydrophobicContact CG-CD2 4.47Å; R243-Y281 HydrophobicContact CG-CE1 4.19Å; R243-Y281 HydrophobicContact CG-CE2 4.11Å
244	D	94.6	Very high	95	Very high	98 Å²	98	68.3 Å²	68.3	52%	0.524	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	32.3	-174.8	-47.4	-59.9	0	0	0	113.8	R280	D244-R280 PolarHBondContact N-O 2.85Å; D244-R280 IonicContact OD1-CZ 2.79Å; D244-R280 IonicContact OD1-NE 3.6Å; D244-R280 PolarHBondContact OD1-NE 3.36Å; D244-R280 VanDerWaalsContact OD1-NE 3.09Å; D244-R280 IonicContact OD1-NH2 3.88Å; D244-R280 IonicContact OD2-CZ 3.05Å; D244-R280 IonicContact OD2-NE 3Å; D244-R280 PolarHBondContact OD2-NE 3.22Å; D244-R280 IonicContact OD2-NH2 3.89Å; D244-R280 PolarHBondContact OD2-NH2 2.82Å
245	G	91.3	Very high	95	Very high	50 Å²	50	69 Å²	69	52%	0.515	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.1	-1	-177.6	0	0	0	0	0	115.8	R243	R243-G245 PolarHBondContact O-N 2.97Å; R243-G245 VanDerWaalsContact O-N 3.09Å
246	E	95.4	Very high	95	Very high	129 Å²	129	76.5 Å²	76.5	60%	0.603	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.6	175.7	-63.8	-175.3	165.6	0	0	111.9	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.26Å; Q242-E246 WeakPolarHBondContact CA-O 3.46Å; R243-E246 PolarHBondContact N-O 3.26Å; R243-E246 PolarHBondContact O-N 3.46Å; E246-Q248 PolarHBondContact O-NE2 2.97Å
247	D	95.3	Very high	95.2	Very high	93 Å²	93	72 Å²	72	50%	0.497	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	133.9	178.9	-69.8	-24.4	0	0	0	112.5	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.43Å; Q242-D247 PolarHBondContact NE2-OD1 2.85Å
248	Q	95.2	Very high	95.2	Very high	14 Å²	14	75.9 Å²	75.9	7%	0.065	39%	0.394	C	S	.	.			trans	-104.8	38.3	-177.9	-57.6	-59	-69.5	0	0	112.2	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.29Å; W241-Q248 PolarHBondContact O-N 3.37Å; R243-Q248 HydrophobicContact CB-CG 3.96Å; E246-Q248 PolarHBondContact O-NE2 2.97Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.87Å; Q248-D251 PolarHBondContact O-N 2.97Å; Q248-T252 WeakPolarHBondContact O-CB 3.47Å; Q248-T252 PolarHBondContact O-N 3.16Å; Q248-T252 VanDerWaalsContact O-N 3.09Å; Q248-T252 PolarHBondContact O-OG1 3.09Å; Q248-Y281 HydrophobicContact CG-CE1 4.34Å
249	T	89.5	Confident	95.3	Very high	105 Å²	105	77.6 Å²	77.6	64%	0.644	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-36.1	-169.4	-45.4	0	0	0	0	114.1
250	Q	89.8	Confident	95.2	Very high	190 Å²	190	79.7 Å²	79.7	89%	0.888	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-31.9	-178.5	-66.4	-175.2	11	0	0	113.1	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.87Å; Q250-T252 VanDerWaalsContact C-N 3.34Å
251	D	87.3	Confident	95.1	Very high	112 Å²	112	81.3 Å²	81.3	60%	0.599	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	1.8	-177.6	-58.9	-45.4	0	0	0	112.2	Q248	Q248-D251 PolarHBondContact O-N 2.97Å
252	T	95.1	Very high	94.8	Very high	23 Å²	23	86.6 Å²	86.6	14%	0.141	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	120.9	-179.8	-63.6	0	0	0	0	110.8	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.47Å; Q248-T252 PolarHBondContact O-N 3.16Å; Q248-T252 VanDerWaalsContact O-N 3.09Å; Q248-T252 PolarHBondContact O-OG1 3.09Å; Q250-T252 VanDerWaalsContact C-N 3.34Å; T252-L254 HydrophobicContact CG2-CB 4.4Å; T252-L254 PolarHBondContact O-N 3.34Å; T252-A269 HydrophobicContact CG2-CB 3.94Å; T252-A270 CarbonylContact C-O 3.55Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.38Å
253	E	96.6	Very high	94.6	Very high	116 Å²	116	86.8 Å²	86.8	54%	0.542	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	104.7	163.3	-174	-174.6	-171.7	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.91Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.3Å; E253-A269 CarbonylContact O-C 3.5Å; E253-A269 WeakPolarHBondContact O-CA 3.42Å; E253-A270 HydrophobicContact CB-CB 4.41Å; E253-A270 PolarHBondContact N-O 3.28Å; E253-A270 PolarHBondContact O-N 2.8Å
254	L	96.8	Very high	94.6	Very high	88 Å²	88	83.2 Å²	83.2	46%	0.461	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	119.4	177.1	-175.4	68	0	0	0	109.9	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.12Å; T252-L254 HydrophobicContact CG2-CB 4.4Å; T252-L254 PolarHBondContact O-N 3.34Å; L254-K267 HydrophobicContact CD1-CD 4.43Å; L254-A269 HydrophobicContact CD1-CB 3.69Å
255	V	96.9	Very high	94.7	Very high	33 Å²	33	79.8 Å²	79.8	20%	0.2	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-83.4	153.4	174.8	-64.3	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 VanDerWaalsContact O-CE 3.31Å; V255-K267 WeakPolarHBondContact O-CE 3.43Å; V255-K267 WeakPolarHBondContact O-CG 3.42Å; V255-K267 PolarHBondContact O-NZ 3.44Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; 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 3.55Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.05Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.46Å; V255-W268 PolarHBondContact N-O 2.89Å
256	E	97	Very high	95.1	Very high	172 Å²	172	79.6 Å²	79.6	80%	0.804	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-57.8	148.1	167.2	-67.8	-176.6	174.9	0	0	111.1	R258	E256-R258 PolarHBondContact O-N 2.91Å
257	T	97.9	Very high	95.2	Very high	46 Å²	46	74.5 Å²	74.5	28%	0.282	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-68	130.6	174.1	-55.8	0	0	0	0	108.4	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.11Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; A235-T257 HydrophobicContact CB-CG2 4.28Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.9Å; T257-F265 HydrophobicContact CG2-CG 4.1Å; T257-K267 WeakPolarHBondContact OG1-CD 3.31Å; T257-K267 PolarHBondContact OG1-NZ 3.41Å
258	R	97.5	Very high	95.3	Very high	94 Å²	94	71.2 Å²	71.2	36%	0.355	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145.7	-175.1	68.9	-168.2	-178.6	-161.5	0.1	111.4	E256 F265 Q266	E256-R258 PolarHBondContact O-N 2.91Å; R258-F265 WeakPolarHBondContact O-CA 3.4Å; R258-Q266 HydrophobicContact CG-CG 3.59Å; R258-Q266 PolarHBondContact N-O 3.37Å; R258-Q266 WeakPolarHBondContact O-CG 3.41Å; R258-Q266 PolarHBondContact O-N 3.36Å
259	P	97.4	Very high	95.5	Very high	95 Å²	95	70.5 Å²	70.5	62%	0.617	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	144.2	178.2	28.5	-34.5	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CE1 4.34Å
260	A	96.8	Very high	95.9	Very high	50 Å²	50	65.6 Å²	65.6	41%	0.413	37%	0.367	S	S	.	.			trans	-86.7	-18.8	172.2	0	0	0	0	0	112.7	T264	A260-T264 PolarHBondContact N-O 3.42Å
261	G	93.6	Very high	96.3	Very high	77 Å²	77	56.7 Å²	56.7	79%	0.794	33%	0.326	S	S	*	.	S	Bend	trans	98.2	-6.6	178.5	0	0	0	0	0	114.9
262	D	93.1	Very high	96.8	Very high	113 Å²	113	54.7 Å²	54.7	60%	0.604	32%	0.317	S	S	*	.	S	Bend	trans	-105.4	11.4	176.6	60.3	1.2	0	0	0	113.1	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.23Å; D262-T264 PolarHBondContact OD1-N 3.05Å; D262-T264 PolarHBondContact OD1-OG1 2.79Å
263	G	92.1	Very high	96.8	Very high	42 Å²	42	53.6 Å²	53.6	43%	0.433	31%	0.31	S	S	.	.	S	Bend	trans	91.7	-3.3	-173.8	0	0	0	0	0	114.2	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.46Å
264	T	96.8	Very high	96.8	Very high	8 Å²	8	50.2 Å²	50.2	5%	0.049	30%	0.299	C	S	.	.			trans	-103.8	173.2	174.9	73.7	0	0	0	0	112.5	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.4Å; F232-T264 WeakPolarHBondContact O-CA 3.33Å; A260-T264 PolarHBondContact N-O 3.42Å; D262-T264 WeakPolarHBondContact OD1-CB 3.23Å; D262-T264 PolarHBondContact OD1-N 3.05Å; D262-T264 PolarHBondContact OD1-OG1 2.79Å
265	F	98.2	Very high	96.6	Very high	26 Å²	26	48.7 Å²	48.7	11%	0.114	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	163.1	-177	-63.8	-85.7	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 3.7Å; G231-F265 PolarHBondContact N-O 3.29Å; F232-F265 VanDerWaalsContact CD1-O 3.32Å; F232-F265 WeakPolarHBondContact CD1-O 3.29Å; F232-F265 HydrophobicContact CD2-CB 3.95Å; F232-F265 HydrophobicContact CE1-CB 4.25Å; F232-F265 WeakPolarHBondContact CE1-O 3.45Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 VanDerWaalsContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 3.41Å; F232-F265 PolarHBondContact O-N 3.1Å; Y233-F265 HydrophobicContact CD2-CD2 4.47Å; Y233-F265 HydrophobicContact CD2-CE2 4.02Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.7Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.74Å; A235-F265 HydrophobicContact CB-CZ 3.7Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.9Å; T257-F265 HydrophobicContact CG2-CG 4.1Å; R258-F265 WeakPolarHBondContact O-CA 3.4Å; P259-F265 HydrophobicContact CB-CE1 4.34Å
266	Q	98.3	Very high	96.3	Very high	45 Å²	45	50.3 Å²	50.3	21%	0.21	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	145.4	173.9	41.3	166	-19	0	0	110	A229 L230 R258	A229-Q266 CarbonylContact O-C 3.57Å; A229-Q266 VanDerWaalsContact O-CA 3.26Å; A229-Q266 WeakPolarHBondContact O-CA 3.27Å; L230-Q266 HydrophobicContact CD2-CB 3.58Å; R258-Q266 HydrophobicContact CG-CG 3.59Å; R258-Q266 PolarHBondContact N-O 3.37Å; R258-Q266 WeakPolarHBondContact O-CG 3.41Å; R258-Q266 PolarHBondContact O-N 3.36Å
267	K	98.5	Very high	96.2	Very high	22 Å²	22	45.2 Å²	45.2	10%	0.096	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	154.4	177	-162.7	-176.5	-171.4	70.2	0	108.9	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.1Å; A229-K267 PolarHBondContact O-N 2.81Å; A229-K267 VanDerWaalsContact O-O 3.09Å; F232-K267 HydrophobicContact CE1-CB 4.35Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.57Å; L239-K267 HydrophobicContact CD1-CD 4.18Å; L254-K267 HydrophobicContact CD1-CD 4.43Å; V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 VanDerWaalsContact O-CE 3.31Å; V255-K267 WeakPolarHBondContact O-CE 3.43Å; V255-K267 WeakPolarHBondContact O-CG 3.42Å; V255-K267 PolarHBondContact O-NZ 3.44Å; T257-K267 WeakPolarHBondContact OG1-CD 3.31Å; T257-K267 PolarHBondContact OG1-NZ 3.41Å
268	W	98.2	Very high	96	Very high	24 Å²	24	44 Å²	44	9%	0.091	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	156.5	169.4	58.3	-98	0	0	0	111.4	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.09Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.2Å; C227-W268 CarbonylContact O-C 3.55Å; C227-W268 WeakPolarHBondContact O-CA 3.48Å; C227-W268 WeakPolarHBondContact O-CB 3.46Å; W228-W268 HydrophobicContact CD2-CB 3.96Å; W228-W268 HydrophobicContact CD2-CG 4.43Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.81Å; W228-W268 HydrophobicContact CE3-CG 4.13Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.7Å; W228-W268 HydrophobicContact CH2-CG 4.31Å; W228-W268 HydrophobicContact CZ3-CB 4.33Å; W228-W268 AromaticContact CZ3-CD1 3.38Å; W228-W268 HydrophobicContact CZ3-CG 4.08Å; E253-W268 HydrophobicContact CB-CZ3 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.91Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.3Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; 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 3.55Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.05Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.46Å; V255-W268 PolarHBondContact N-O 2.89Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.62Å
269	A	98.2	Very high	95.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.6	173.3	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.49Å; C227-A269 PolarHBondContact N-O 3.14Å; C227-A269 PolarHBondContact O-N 2.77Å; L239-A269 HydrophobicContact CB-CB 4.16Å; L239-A269 HydrophobicContact CD2-CB 4.28Å; W241-A269 VanDerWaalsContact NE1-C 3.34Å; W241-A269 PolarHBondContact NE1-O 3.04Å; T252-A269 HydrophobicContact CG2-CB 3.94Å; E253-A269 CarbonylContact O-C 3.5Å; E253-A269 WeakPolarHBondContact O-CA 3.42Å; L254-A269 HydrophobicContact CD1-CB 3.69Å
270	A	97.8	Very high	95.8	Very high	2 Å²	2	45.6 Å²	45.6	2%	0.017	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145	179.2	0	0	0	0	0	112	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.87Å; L225-A270 CarbonylContact O-C 3.49Å; L225-A270 WeakPolarHBondContact O-CA 3.47Å; R226-A270 HydrophobicContact CB-CB 3.96Å; R226-A270 HydrophobicContact CG-CB 4.12Å; T252-A270 CarbonylContact C-O 3.55Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.38Å; E253-A270 HydrophobicContact CB-CB 4.41Å; E253-A270 PolarHBondContact N-O 3.28Å; E253-A270 PolarHBondContact O-N 2.8Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.62Å
271	V	97.8	Very high	95.8	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.018	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	141.8	176.9	62.9	0	0	0	0	109.1	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.26Å; L225-V271 HydrophobicContact CB-CG1 4.23Å; L225-V271 PolarHBondContact N-O 3.06Å; L225-V271 PolarHBondContact O-N 2.81Å; 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 4.01Å; W241-V271 HydrophobicContact CG-CB 4.12Å; W241-V271 HydrophobicContact CG-CG1 3.76Å; W241-V271 HydrophobicContact CZ2-CG1 4.32Å; V271-V273 HydrophobicContact CG1-CG1 3.8Å; V271-V273 HydrophobicContact CG2-CG1 4.45Å; V271-Y281 HydrophobicContact CG1-CD1 3.99Å; V271-Y281 HydrophobicContact CG1-CE1 4.42Å; V271-Y281 HydrophobicContact CG2-CD1 4.31Å; V271-Y281 HydrophobicContact CG2-CE1 3.97Å
272	V	97.4	Very high	96	Very high	69 Å²	69	41.4 Å²	41.4	42%	0.418	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	127.8	171.7	-179.2	0	0	0	0	108.2	L218 E222 A223	L218-V272 HydrophobicContact CD1-CG1 4.21Å; L218-V272 HydrophobicContact CD1-CG2 4.23Å; E222-V272 HydrophobicContact CB-CG1 4.13Å; E222-V272 HydrophobicContact CG-CG1 4.37Å; A223-V272 WeakPolarHBondContact O-CA 3.34Å
273	V	96.6	Very high	96.3	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145	-175.8	-52.4	0	0	0	0	110.5	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.41Å; A223-V273 HydrophobicContact CB-CG2 4.47Å; A223-V273 PolarHBondContact N-O 2.83Å; A223-V273 PolarHBondContact O-N 3.16Å; L225-V273 HydrophobicContact CD1-CG1 3.99Å; L225-V273 HydrophobicContact CD1-CG2 4.09Å; L225-V273 HydrophobicContact CG-CG1 4.12Å; L225-V273 HydrophobicContact CG-CG2 3.84Å; V271-V273 HydrophobicContact CG1-CG1 3.8Å; V271-V273 HydrophobicContact CG2-CG1 4.45Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.74Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.59Å; V273-Y281 HydrophobicContact CG1-CE1 3.66Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.65Å
274	P	96.3	Very high	96.5	Very high	46 Å²	46	36.1 Å²	36.1	30%	0.299	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	139.6	170.5	-19.5	32	0	0	0	111.3	H221 G276 Q277	H221-P274 CarbonylContact O-C 3.42Å; H221-P274 WeakPolarHBondContact O-CA 3.49Å; P274-G276 PolarHBondContact O-N 3.24Å; P274-Q277 HydrophobicContact CB-CB 4.41Å; P274-Q277 HydrophobicContact CB-CG 4.19Å; P274-Q277 WeakPolarHBondContact O-CB 3.43Å; P274-Q277 PolarHBondContact O-N 3.05Å
275	S	92.3	Very high	96.5	Very high	55 Å²	55	35.7 Å²	35.7	39%	0.385	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	129.7	175.3	-61.7	0	0	0	0	111.1	D220 H221 E222 Q277 E278	D220-S275 PolarHBondContact O-OG 3.19Å; H221-S275 PolarHBondContact O-N 3Å; H221-S275 PolarHBondContact O-OG 2.81Å; E222-S275 PolarHBondContact N-OG 2.92Å; S275-Q277 VanDerWaalsContact C-N 3.33Å; S275-E278 WeakPolarHBondContact CA-OE1 3.46Å
276	G	91.1	Very high	96.4	Very high	68 Å²	68	39.6 Å²	39.6	70%	0.701	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.2	-1.6	-178.7	0	0	0	0	0	115	P274 E278	P274-G276 PolarHBondContact O-N 3.24Å; G276-E278 WeakPolarHBondContact CA-OE2 3.41Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.49Å; G276-E278 PolarHBondContact N-OE2 2.79Å
277	Q	94.6	Very high	96.3	Very high	65 Å²	65	37.7 Å²	37.7	30%	0.304	21%	0.205	S	C	.	.			trans	-106.1	6.4	174.9	-60.5	-167.7	41.4	0	0	113.3	P274 S275 Q279 R280 Y281	P274-Q277 HydrophobicContact CB-CB 4.41Å; P274-Q277 HydrophobicContact CB-CG 4.19Å; P274-Q277 WeakPolarHBondContact O-CB 3.43Å; P274-Q277 PolarHBondContact O-N 3.05Å; S275-Q277 VanDerWaalsContact C-N 3.33Å; Q277-Q279 PolarHBondContact O-N 3.25Å; Q277-Q279 VanDerWaalsContact O-N 3.14Å; Q277-R280 WeakPolarHBondContact O-CB 3.25Å; Q277-R280 PolarHBondContact O-N 3.41Å; Q277-Y281 HydrophobicContact CB-CE2 4.47Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.14Å
278	E	94.4	Very high	96	Very high	21 Å²	21	39.7 Å²	39.7	10%	0.098	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-57.4	-35.3	-172.8	-57.4	80.3	-177.2	0	0	112.3	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.46Å; L225-E278 HydrophobicContact CD1-CB 4.11Å; L225-E278 HydrophobicContact CD2-CB 4.49Å; L225-E278 HydrophobicContact CD2-CG 4.34Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; S275-E278 WeakPolarHBondContact CA-OE1 3.46Å; G276-E278 WeakPolarHBondContact CA-OE2 3.41Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.49Å; G276-E278 PolarHBondContact N-OE2 2.79Å; E278-R280 PolarHBondContact O-N 3.02Å; E278-Y281 PolarHBondContact O-N 3.21Å; E278-Y281 VanDerWaalsContact O-N 3.12Å; E278-W298 HydrophobicContact CB-CD2 4.36Å; E278-W298 HydrophobicContact CB-CE3 3.38Å; E278-W298 HydrophobicContact CB-CZ3 3.78Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.74Å
279	Q	94.3	Very high	95.7	Very high	109 Å²	109	39.7 Å²	39.7	51%	0.509	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-69.7	-15.7	179.9	-63.1	-57.4	-41.8	0	0	114.1	Q277 W298	Q277-Q279 PolarHBondContact O-N 3.25Å; Q277-Q279 VanDerWaalsContact O-N 3.14Å; Q279-W298 PolarHBondContact NE2-O 2.83Å
280	R	96.1	Very high	95.6	Very high	112 Å²	112	40.6 Å²	40.6	42%	0.423	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-79.1	-13.3	174.2	-63	175.3	68.5	-178.4	8.7	112.3	R243 D244 Q277 E278	R243-R280 WeakPolarHBondContact CA-O 3.34Å; R243-R280 HydrophobicContact CG-CB 4.39Å; D244-R280 PolarHBondContact N-O 2.85Å; D244-R280 IonicContact OD1-CZ 2.79Å; D244-R280 IonicContact OD1-NE 3.6Å; D244-R280 PolarHBondContact OD1-NE 3.36Å; D244-R280 VanDerWaalsContact OD1-NE 3.09Å; D244-R280 IonicContact OD1-NH2 3.88Å; D244-R280 IonicContact OD2-CZ 3.05Å; D244-R280 IonicContact OD2-NE 3Å; D244-R280 PolarHBondContact OD2-NE 3.22Å; D244-R280 IonicContact OD2-NH2 3.89Å; D244-R280 PolarHBondContact OD2-NH2 2.82Å; Q277-R280 WeakPolarHBondContact O-CB 3.25Å; Q277-R280 PolarHBondContact O-N 3.41Å; E278-R280 PolarHBondContact O-N 3.02Å
281	Y	97.2	Very high	95.3	Very high	7 Å²	7	50 Å²	50	3%	0.027	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	127.3	-177.8	-69.8	-101.1	0	0	0	110.7	Q242 R243 Q248 V271 V273 Q277 E278	Q242-Y281 CarbonylContact O-C 3.58Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.39Å; R243-Y281 HydrophobicContact CB-CD1 4.12Å; R243-Y281 HydrophobicContact CB-CE1 3.95Å; R243-Y281 WeakPolarHBondContact CD-OH 3.44Å; R243-Y281 HydrophobicContact CG-CD2 4.47Å; R243-Y281 HydrophobicContact CG-CE1 4.19Å; R243-Y281 HydrophobicContact CG-CE2 4.11Å; Q248-Y281 HydrophobicContact CG-CE1 4.34Å; V271-Y281 HydrophobicContact CG1-CD1 3.99Å; V271-Y281 HydrophobicContact CG1-CE1 4.42Å; V271-Y281 HydrophobicContact CG2-CD1 4.31Å; V271-Y281 HydrophobicContact CG2-CE1 3.97Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.74Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.59Å; V273-Y281 HydrophobicContact CG1-CE1 3.66Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.65Å; Q277-Y281 HydrophobicContact CB-CE2 4.47Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.14Å; E278-Y281 PolarHBondContact O-N 3.21Å; E278-Y281 VanDerWaalsContact O-N 3.12Å
282	T	97.6	Very high	95	Very high	32 Å²	32	57.2 Å²	57.2	20%	0.196	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	134.4	176.9	51.7	0	0	0	0	110.4	W241 Q242 H284 T295 L296	W241-T282 VanDerWaalsContact CE3-C 3.42Å; Q242-T282 PolarHBondContact N-O 3.46Å; Q242-T282 PolarHBondContact O-N 3.13Å; T282-H284 PolarHBondContact OG1-NE2 2.94Å; T282-T295 HydrophobicContact CG2-CG2 4.01Å; T282-L296 CarbonylContact C-O 3.58Å; T282-L296 WeakPolarHBondContact CA-O 3.22Å
283	C	97.8	Very high	94.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	121.3	171.7	175.5	0	0	0	0	108.9	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.34Å; C227-C283 WeakPolarHBondContact SG-CB 3.08Å; C227-C283 CovalentContact SG-SG 2.04Å; C227-C283 PolarHBondContact SG-SG 3.41Å; T240-C283 CarbonylContact O-C 3.53Å; T240-C283 WeakPolarHBondContact O-CA 3.21Å; W241-C283 HydrophobicContact CD2-CB 4.18Å; W241-C283 HydrophobicContact CE3-CB 4.08Å; W241-C283 HydrophobicContact CH2-CB 4.01Å; W241-C283 HydrophobicContact CZ2-CB 4.12Å; W241-C283 HydrophobicContact CZ3-CB 3.99Å; C283-T295 CarbonylContact O-C 3.55Å; C283-T295 WeakPolarHBondContact O-CA 3.36Å; C283-L296 HydrophobicContact CB-CB 4.3Å; C283-L296 PolarHBondContact N-O 2.74Å; C283-L296 PolarHBondContact O-N 3.31Å
284	H	97.2	Very high	94.8	Very high	44 Å²	44	60.5 Å²	60.5	20%	0.204	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.2	175.6	-68.5	-107.3	0	0	0	109.7	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.37Å; T240-H284 PolarHBondContact N-O 3.49Å; T240-H284 PolarHBondContact O-N 3.39Å; T240-H284 WeakPolarHBondContact OG1-CB 3.44Å; Q242-H284 PolarHBondContact OE1-CE1 3.03Å; Q242-H284 PolarHBondContact OE1-NE2 3.03Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.08Å; T282-H284 PolarHBondContact OG1-NE2 2.94Å; H284-L294 CarbonylContact C-O 3.57Å; H284-L294 WeakPolarHBondContact CA-O 3.31Å; H284-T295 PolarHBondContact CE1-OG1 2.88Å; H284-T295 PolarHBondContact ND1-OG1 3.45Å
285	M	96.6	Very high	94.8	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	131.9	-174.7	-171.8	177	-57.8	0	0	111.5	P209 T211 A229 I237 T238 L239 L290 P293 L294 L296	P209-M285 HydrophobicContact CB-SD 3.9Å; P209-M285 HydrophobicContact CG-CG 4.49Å; P209-M285 HydrophobicContact CG-SD 3.38Å; P209-M285 WeakPolarHBondContact CG-SD 3.24Å; T211-M285 HydrophobicContact CG2-CE 3.5Å; T211-M285 VanDerWaalsContact CG2-CE 3.5Å; T211-M285 HydrophobicContact CG2-SD 3.39Å; T211-M285 WeakPolarHBondContact CG2-SD 3.42Å; A229-M285 HydrophobicContact CB-CE 3.71Å; A229-M285 HydrophobicContact CB-SD 3.92Å; I237-M285 HydrophobicContact CD1-CG 4.14Å; I237-M285 HydrophobicContact CD1-SD 4.02Å; I237-M285 HydrophobicContact CG1-CG 4.37Å; T238-M285 VanDerWaalsContact O-CA 3.31Å; T238-M285 WeakPolarHBondContact O-CA 3.38Å; L239-M285 HydrophobicContact CD1-CE 4.11Å; L239-M285 HydrophobicContact CD1-CG 4.06Å; L239-M285 HydrophobicContact CD1-SD 4.43Å; L239-M285 HydrophobicContact CD2-CE 4.12Å; L239-M285 HydrophobicContact CG-CE 3.98Å; L239-M285 HydrophobicContact CG-CG 4.44Å; M285-L290 HydrophobicContact CG-CD1 4.36Å; M285-P293 CarbonylContact O-C 3.55Å; M285-P293 WeakPolarHBondContact O-CA 3.14Å; M285-L294 HydrophobicContact CB-CB 4.34Å; M285-L294 PolarHBondContact N-O 3.49Å; M285-L294 PolarHBondContact O-N 2.87Å; M285-L296 HydrophobicContact CE-CD1 4.27Å
286	Q	96.8	Very high	95	Very high	108 Å²	108	61.2 Å²	61.2	51%	0.505	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.1	175.4	-57.1	179.8	13.1	0	0	109.2	I237 T238 P293	I237-Q286 WeakPolarHBondContact CG1-O 3.47Å; T238-Q286 PolarHBondContact N-O 2.9Å; T238-Q286 PolarHBondContact O-N 3.18Å; Q286-P293 HydrophobicContact CG-CB 4.05Å; Q286-P293 HydrophobicContact CG-CG 4.19Å
287	H	95.6	Very high	95.1	Very high	5 Å²	5	60.7 Å²	60.7	2%	0.023	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	140.2	-175.7	-179.3	-98.4	0	0	0	112.3	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 WeakPolarHBondContact CH2-O 3.4Å; W23-H287 WeakPolarHBondContact CZ3-O 3.35Å; E207-H287 PolarHBondContact O-CE1 3.35Å; P209-H287 HydrophobicContact CG-CB 4.29Å; F232-H287 AromaticContact CD2-CD2 3.77Å; F232-H287 AromaticContact CD2-NE2 3.66Å; Y233-H287 PolarHBondContact O-CE1 3.23Å; P234-H287 PolarHBondContact O-NE2 3.2Å; E236-H287 PolarHBondContact O-CD2 2.71Å; E236-H287 VanDerWaalsContact O-CD2 3.23Å; I237-H287 HydrophobicContact CD1-CB 4.11Å; I237-H287 HydrophobicContact CG1-CB 3.92Å; H287-G289 PolarHBondContact CE1-N 2.79Å; H287-G289 PolarHBondContact ND1-N 2.73Å; H287-G289 PolarHBondContact O-N 3.11Å; H287-L290 HydrophobicContact CB-CD1 3.93Å; H287-L290 HydrophobicContact CB-CG 4.14Å; H287-L290 WeakPolarHBondContact O-CB 3.46Å; H287-L290 PolarHBondContact O-N 3.22Å
288	E	92.4	Very high	95.1	Very high	64 Å²	64	59.9 Å²	59.9	30%	0.299	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-28.2	-36.2	171.6	174.8	-66.6	153	0	0	117.6	W23 C25 A206 P234	W23-E288 HydrophobicContact CB-CG 4.37Å; W23-E288 HydrophobicContact CD2-CB 3.78Å; W23-E288 HydrophobicContact CD2-CG 3.87Å; W23-E288 HydrophobicContact CE3-CB 3.2Å; W23-E288 HydrophobicContact CE3-CG 3.28Å; W23-E288 HydrophobicContact CG-CG 4.42Å; W23-E288 HydrophobicContact CH2-CB 3.88Å; W23-E288 HydrophobicContact CZ2-CB 4.31Å; W23-E288 HydrophobicContact CZ3-CB 3.32Å; W23-E288 HydrophobicContact CZ3-CG 3.89Å; W23-E288 WeakPolarHBondContact CZ3-O 3.34Å; C25-E288 PolarHBondContact SG-OE1 3.09Å; A206-E288 WeakPolarHBondContact CB-O 3.41Å; P234-E288 WeakPolarHBondContact CD-OE2 3.37Å; P234-E288 VanDerWaalsContact CG-OE2 3.22Å; P234-E288 WeakPolarHBondContact CG-OE2 3.28Å
289	G	92.7	Very high	94.8	Very high	23 Å²	23	66.7 Å²	66.7	24%	0.237	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-6.7	-174.4	0	0	0	0	0	115.1	H287	H287-G289 PolarHBondContact CE1-N 2.79Å; H287-G289 PolarHBondContact ND1-N 2.73Å; H287-G289 PolarHBondContact O-N 3.11Å
290	L	94.4	Very high	94.1	Very high	19 Å²	19	64.9 Å²	64.9	10%	0.099	33%	0.332	C	S	.	.			trans	-93.7	131.7	-176.6	-65	173.6	0	0	0	111.4	W23 P208 P209 M285 H287 E292 L294	W23-L290 WeakPolarHBondContact CH2-O 3.14Å; W23-L290 WeakPolarHBondContact CZ3-O 3.29Å; P208-L290 HydrophobicContact CB-CD2 3.87Å; P209-L290 HydrophobicContact CG-CD1 4.14Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.4Å; M285-L290 HydrophobicContact CG-CD1 4.36Å; H287-L290 HydrophobicContact CB-CD1 3.93Å; H287-L290 HydrophobicContact CB-CG 4.14Å; H287-L290 WeakPolarHBondContact O-CB 3.46Å; H287-L290 PolarHBondContact O-N 3.22Å; L290-E292 VanDerWaalsContact C-N 3.3Å; L290-E292 PolarHBondContact O-N 3.18Å; L290-L294 HydrophobicContact CD1-CB 4.46Å; L290-L294 HydrophobicContact CD1-CD1 3.89Å; L290-L294 HydrophobicContact CD1-CG 3.89Å; L290-L294 HydrophobicContact CD2-CD1 3.52Å; L290-L294 HydrophobicContact CD2-CG 3.93Å; L290-L294 HydrophobicContact CG-CD1 4.37Å
291	Q	91.4	Very high	92.5	Very high	201 Å²	201	64.3 Å²	64.3	94%	0.939	35%	0.345	S	S	*	.	S	Bend	trans	-65.2	-36.9	175.6	-67.5	-177.8	-1	0	0	112.3
292	E	92.6	Very high	90.2	Very high	153 Å²	153	69.2 Å²	69.2	72%	0.715	38%	0.381	S	S	*	.	S	Bend	trans	-139.6	152.3	176.2	-66.2	-177.2	178.6	0	0	108.9	L290 L294	L290-E292 VanDerWaalsContact C-N 3.3Å; L290-E292 PolarHBondContact O-N 3.18Å; E292-L294 PolarHBondContact O-N 3.06Å
293	P	94.2	Very high	87.7	Confident	80 Å²	80	75.3 Å²	75.3	52%	0.519	41%	0.407	S	S	.	.			trans	-52.1	135.9	172.1	-26.9	35.8	0	0	0	111.8	M285 Q286	M285-P293 CarbonylContact O-C 3.55Å; M285-P293 WeakPolarHBondContact O-CA 3.14Å; Q286-P293 HydrophobicContact CG-CB 4.05Å; Q286-P293 HydrophobicContact CG-CG 4.19Å
294	L	95.1	Very high	85.3	Confident	59 Å²	59	80.3 Å²	80.3	31%	0.309	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	141.2	177.6	-69	177	0	0	0	110.8	T211 H284 M285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.27Å; H284-L294 CarbonylContact C-O 3.57Å; H284-L294 WeakPolarHBondContact CA-O 3.31Å; M285-L294 HydrophobicContact CB-CB 4.34Å; M285-L294 PolarHBondContact N-O 3.49Å; M285-L294 PolarHBondContact O-N 2.87Å; L290-L294 HydrophobicContact CD1-CB 4.46Å; L290-L294 HydrophobicContact CD1-CD1 3.89Å; L290-L294 HydrophobicContact CD1-CG 3.89Å; L290-L294 HydrophobicContact CD2-CD1 3.52Å; L290-L294 HydrophobicContact CD2-CG 3.93Å; L290-L294 HydrophobicContact CG-CD1 4.37Å; E292-L294 PolarHBondContact O-N 3.06Å
295	T	96.6	Very high	83.1	Confident	81 Å²	81	84.5 Å²	84.5	50%	0.497	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	119.9	170.2	-58.4	0	0	0	0	108.8	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 4.01Å; C283-T295 CarbonylContact O-C 3.55Å; C283-T295 WeakPolarHBondContact O-CA 3.36Å; H284-T295 PolarHBondContact CE1-OG1 2.88Å; H284-T295 PolarHBondContact ND1-OG1 3.45Å
296	L	96	Very high	81.2	Confident	35 Å²	35	89.4 Å²	89.4	18%	0.183	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	129.1	-174.7	-59.1	162.5	0	0	0	109.8	T211 V213 T282 C283 M285	T211-L296 VanDerWaalsContact CB-CD1 3.48Å; T211-L296 HydrophobicContact CG2-CD1 4.06Å; V213-L296 HydrophobicContact CG2-CB 3.89Å; T282-L296 CarbonylContact C-O 3.58Å; T282-L296 WeakPolarHBondContact CA-O 3.22Å; C283-L296 HydrophobicContact CB-CB 4.3Å; C283-L296 PolarHBondContact N-O 2.74Å; C283-L296 PolarHBondContact O-N 3.31Å; M285-L296 HydrophobicContact CE-CD1 4.27Å
297	S	93.9	Very high	79.4	Confident	57 Å²	57	88.4 Å²	88.4	40%	0.399	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	161.6	166.7	54.6	0	0	0	0	110.1	E299	S297-E299 PolarHBondContact O-N 2.81Å
298	W	94.5	Very high	77.8	Confident	47 Å²	47	93.9 Å²	93.9	18%	0.178	53%	0.525	C	S	.	.			trans	-71.9	125.3	170	169.8	61.5	0	0	0	110.1	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.47Å; V213-W298 HydrophobicContact CG1-CB 3.81Å; H215-W298 HydrophobicContact CB-CD2 4.16Å; H215-W298 HydrophobicContact CB-CG 4.2Å; H215-W298 HydrophobicContact CB-CZ2 4.02Å; H215-W298 VanDerWaalsContact CB-NE1 3.26Å; H215-W298 AromaticContact CG-CE2 3.81Å; H215-W298 AromaticContact CG-CZ2 3.83Å; L225-W298 HydrophobicContact CD1-CB 4.32Å; L225-W298 HydrophobicContact CD2-CB 3.8Å; L225-W298 HydrophobicContact CD2-CD2 4.36Å; L225-W298 HydrophobicContact CD2-CG 3.92Å; E278-W298 HydrophobicContact CB-CD2 4.36Å; E278-W298 HydrophobicContact CB-CE3 3.38Å; E278-W298 HydrophobicContact CB-CZ3 3.78Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.74Å; Q279-W298 PolarHBondContact NE2-O 2.83Å; W298-P300 HydrophobicContact CE3-CG 4.4Å; W298-P300 HydrophobicContact CH2-CB 4.24Å; W298-P300 HydrophobicContact CH2-CG 3.91Å; W298-P300 HydrophobicContact CZ2-CB 4.14Å; W298-P300 HydrophobicContact CZ2-CG 4.15Å; W298-P300 HydrophobicContact CZ3-CG 4.03Å
299	E	87.1	Confident	76.1	Confident	165 Å²	165	98.6 Å²	98.6	77%	0.771	55%	0.549	S	S	*	.			trans	-106.3	121.1	173.9	-158.2	154.3	-156.7	0	0	109.5	S297 S301	S297-E299 PolarHBondContact O-N 2.81Å; E299-S301 PolarHBondContact O-N 3.21Å
300	P	80.1	Confident	74.9	Confident	70 Å²	70	99.6 Å²	99.6	46%	0.455	56%	0.559	S	S	.	*			trans	-58.9	127.1	175.2	-20.3	30.4	0	0	0	109.3	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.4Å; W298-P300 HydrophobicContact CH2-CB 4.24Å; W298-P300 HydrophobicContact CH2-CG 3.91Å; W298-P300 HydrophobicContact CZ2-CB 4.14Å; W298-P300 HydrophobicContact CZ2-CG 4.15Å; W298-P300 HydrophobicContact CZ3-CG 4.03Å; P300-S302 PolarHBondContact O-N 3.03Å
301	S	63.6	Low	73.9	Confident	100 Å²	100	103.3 Å²	103.3	70%	0.699	58%	0.578	S	S	*	*			trans	-51.6	102.8	176.2	144.4	0	0	0	0	110	E299 Q303	E299-S301 PolarHBondContact O-N 3.21Å; S301-Q303 PolarHBondContact O-N 3.24Å
302	S	48.4	Very low	73.1	Confident	111 Å²	111	98 Å²	98	78%	0.776	56%	0.56	S	S	*	*			trans	-76.9	71.6	165.3	62.8	0	0	0	0	107.8	P300 P304	P300-S302 PolarHBondContact O-N 3.03Å; S302-P304 WeakPolarHBondContact O-CD 3.21Å; S302-P304 VanDerWaalsContact O-N 3.17Å
303	Q	45.7	Very low	72.3	Confident	159 Å²	159	93.4 Å²	93.4	74%	0.743	55%	0.547	S	S	*	.			trans	-64.2	113.1	154.5	-83.4	-171.3	-12.8	0	0	104.9	S301 T305	S301-Q303 PolarHBondContact O-N 3.24Å; Q303-T305 PolarHBondContact O-N 3.26Å
304	P	45.6	Very low	71.6	Confident	106 Å²	106	91.2 Å²	91.2	69%	0.688	54%	0.54	S	S	*	.			trans	-57.7	115.7	167.6	24.5	-29.9	0	0	0	104.8	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.21Å; S302-P304 VanDerWaalsContact O-N 3.17Å; P304-I306 PolarHBondContact O-N 3.2Å
305	T	52.2	Low	71.1	Confident	132 Å²	132	93.2 Å²	93.2	81%	0.81	55%	0.55	S	S	*	.			trans	-65.4	83	163.1	-38	0	0	0	0	104.2	Q303 P307	Q303-T305 PolarHBondContact O-N 3.26Å; T305-P307 VanDerWaalsContact O-CD 3.31Å; T305-P307 WeakPolarHBondContact O-CD 3.39Å
306	I	56.6	Low	70.4	Confident	103 Å²	103	91.9 Å²	91.9	53%	0.528	55%	0.547	S	S	.	.			trans	-49.3	119.9	166.6	-63.5	175.8	0	0	0	102.8	P304 I308 I311	P304-I306 PolarHBondContact O-N 3.2Å; I306-I308 HydrophobicContact CB-CG1 4.42Å; I306-I308 HydrophobicContact CG2-CG1 4.23Å; I306-I308 PolarHBondContact O-N 3.07Å; I306-I311 HydrophobicContact CG2-CD1 4.08Å
307	P	58.2	Low	69.9	Low	86 Å²	86	94.4 Å²	94.4	56%	0.558	56%	0.564	S	S	*	*			trans	-73.7	75.3	-176	29.8	-33.4	0	0	0	106.8	T305 M309 G310 I311	T305-P307 VanDerWaalsContact O-CD 3.31Å; T305-P307 WeakPolarHBondContact O-CD 3.39Å; P307-M309 PolarHBondContact O-N 3.39Å; P307-M309 VanDerWaalsContact O-N 3.15Å; P307-G310 WeakPolarHBondContact O-CA 3.37Å; P307-G310 PolarHBondContact O-N 2.89Å; P307-I311 PolarHBondContact O-N 3.18Å; P307-I311 VanDerWaalsContact O-N 3.08Å
308	I	61.8	Low	69.4	Low	120 Å²	120	97 Å²	97	62%	0.615	57%	0.573	S	S	*	*	H	α-helix	trans	-54.9	-35	177.4	-66.7	168.3	0	0	0	108	I306 G310 I311 V312	I306-I308 HydrophobicContact CB-CG1 4.42Å; I306-I308 HydrophobicContact CG2-CG1 4.23Å; I306-I308 PolarHBondContact O-N 3.07Å; I308-G310 PolarHBondContact O-N 2.94Å; I308-I311 PolarHBondContact O-N 2.87Å; I308-V312 HydrophobicContact CG2-CG2 4.34Å; I308-V312 WeakPolarHBondContact O-CB 3.32Å; I308-V312 WeakPolarHBondContact O-CG2 3.43Å; I308-V312 PolarHBondContact O-N 3.07Å
309	M	57.4	Low	69	Low	163 Å²	163	99.2 Å²	99.2	80%	0.803	59%	0.591	S	S	*	*	H	α-helix	trans	-65.1	-35.8	173.8	-164.8	134.3	62	0	0	113.7	P307 A313	P307-M309 PolarHBondContact O-N 3.39Å; P307-M309 VanDerWaalsContact O-N 3.15Å; M309-A313 VanDerWaalsContact O-CB 3.26Å; M309-A313 WeakPolarHBondContact O-CB 3.41Å; M309-A313 PolarHBondContact O-N 3.32Å
310	G	67.1	Low	68.9	Low	44 Å²	44	95.3 Å²	95.3	45%	0.454	58%	0.578	S	S	.	*	H	α-helix	trans	-70.6	-38.2	176.1	0	0	0	0	0	112.8	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.37Å; P307-G310 PolarHBondContact O-N 2.89Å; I308-G310 PolarHBondContact O-N 2.94Å; G310-G314 PolarHBondContact O-N 2.97Å
311	I	74	Confident	69.1	Low	97 Å²	97	97 Å²	97	50%	0.497	58%	0.583	S	S	.	*	H	α-helix	trans	-69.1	-43.2	176.1	-61.7	172.7	0	0	0	110.6	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 4.08Å; P307-I311 PolarHBondContact O-N 3.18Å; P307-I311 VanDerWaalsContact O-N 3.08Å; I308-I311 PolarHBondContact O-N 2.87Å; I311-G314 PolarHBondContact O-N 3.27Å; I311-L315 HydrophobicContact CG2-CD1 3.96Å; I311-L315 WeakPolarHBondContact O-CB 3.38Å; I311-L315 WeakPolarHBondContact O-CG 3.48Å; I311-L315 PolarHBondContact O-N 3.32Å
312	V	74.8	Confident	70	Confident	91 Å²	91	95.3 Å²	95.3	55%	0.552	58%	0.576	S	S	*	*	H	α-helix	trans	-65.7	-43	177.5	172.5	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.34Å; I308-V312 WeakPolarHBondContact O-CB 3.32Å; I308-V312 WeakPolarHBondContact O-CG2 3.43Å; I308-V312 PolarHBondContact O-N 3.07Å; V312-L315 PolarHBondContact O-N 3.45Å; V312-A316 WeakPolarHBondContact O-CB 3.44Å; V312-A316 PolarHBondContact O-N 3.19Å
313	A	75.1	Confident	71.7	Confident	55 Å²	55	94.1 Å²	94.1	46%	0.455	56%	0.563	S	S	.	*	H	α-helix	trans	-63.5	-43	175.3	0	0	0	0	0	111.9	M309 A316 V317	M309-A313 VanDerWaalsContact O-CB 3.26Å; M309-A313 WeakPolarHBondContact O-CB 3.41Å; M309-A313 PolarHBondContact O-N 3.32Å; A313-A316 PolarHBondContact O-N 2.83Å; A313-V317 WeakPolarHBondContact O-CG2 3.48Å; A313-V317 PolarHBondContact O-N 3.49Å
314	G	80.4	Confident	73.4	Confident	35 Å²	35	91.4 Å²	91.4	36%	0.361	55%	0.553	S	S	.	*	H	α-helix	trans	-62.1	-43.3	176.5	0	0	0	0	0	113.1	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.97Å; I311-G314 PolarHBondContact O-N 3.27Å; G314-V317 PolarHBondContact O-N 3.41Å; G314-L318 PolarHBondContact O-N 3.02Å
315	L	84.3	Confident	75.1	Confident	100 Å²	100	88 Å²	88	52%	0.524	54%	0.538	S	S	.	.	H	α-helix	trans	-65.6	-40.8	175.8	-78.6	166.4	0	0	0	112.2	I311 V312 V317 L318 V319	I311-L315 HydrophobicContact CG2-CD1 3.96Å; I311-L315 WeakPolarHBondContact O-CB 3.38Å; I311-L315 WeakPolarHBondContact O-CG 3.48Å; I311-L315 PolarHBondContact O-N 3.32Å; V312-L315 PolarHBondContact O-N 3.45Å; L315-V317 VanDerWaalsContact C-N 3.35Å; L315-V317 PolarHBondContact O-N 2.88Å; L315-L318 PolarHBondContact O-N 3.42Å; L315-V319 WeakPolarHBondContact O-CG2 3.08Å; L315-V319 PolarHBondContact O-N 2.99Å
316	A	82.4	Confident	76.3	Confident	54 Å²	54	84.6 Å²	84.6	45%	0.446	52%	0.523	S	S	.	.	H	α-helix	trans	-61.7	-42.9	176.6	0	0	0	0	0	111.7	V312 A313 V319 V320	V312-A316 WeakPolarHBondContact O-CB 3.44Å; V312-A316 PolarHBondContact O-N 3.19Å; A313-A316 PolarHBondContact O-N 2.83Å; A316-V319 PolarHBondContact O-N 2.84Å; A316-V320 VanDerWaalsContact O-CG2 3.3Å; A316-V320 WeakPolarHBondContact O-CG2 3.2Å; A316-V320 PolarHBondContact O-N 3.05Å
317	V	85.1	Confident	77.4	Confident	88 Å²	88	83.3 Å²	83.3	53%	0.533	52%	0.519	S	S	.	.	H	α-helix	trans	-63.7	-42.7	176.2	173	0	0	0	0	111.3	A313 G314 L315 V319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.48Å; A313-V317 PolarHBondContact O-N 3.49Å; G314-V317 PolarHBondContact O-N 3.41Å; L315-V317 VanDerWaalsContact C-N 3.35Å; L315-V317 PolarHBondContact O-N 2.88Å; V317-V319 PolarHBondContact O-N 3.08Å; V317-V320 PolarHBondContact O-N 2.72Å; V317-L321 HydrophobicContact CG1-CD1 3.96Å; V317-L321 HydrophobicContact CG1-CG 4.37Å; V317-L321 WeakPolarHBondContact O-CB 3.41Å; V317-L321 WeakPolarHBondContact O-CG 3.42Å; V317-L321 PolarHBondContact O-N 3.22Å
318	L	84.3	Confident	78.4	Confident	112 Å²	112	83.1 Å²	83.1	59%	0.586	52%	0.516	S	S	*	.	H	α-helix	trans	-61.5	-41.9	176.4	-86.1	164	0	0	0	112.5	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 3.02Å; L315-L318 PolarHBondContact O-N 3.42Å; L318-L321 PolarHBondContact O-N 3.28Å; L318-A322 WeakPolarHBondContact O-CB 3.41Å; L318-A322 PolarHBondContact O-N 2.65Å
319	V	84.6	Confident	78.9	Confident	92 Å²	92	81.5 Å²	81.5	56%	0.558	51%	0.512	S	S	*	.	H	α-helix	trans	-64	-44.2	176	172.2	0	0	0	0	110.7	L315 A316 V317 L321 A322 V323	L315-V319 WeakPolarHBondContact O-CG2 3.08Å; L315-V319 PolarHBondContact O-N 2.99Å; A316-V319 PolarHBondContact O-N 2.84Å; V317-V319 PolarHBondContact O-N 3.08Å; V319-L321 PolarHBondContact O-N 3.33Å; V319-A322 PolarHBondContact O-N 2.71Å; V319-V323 HydrophobicContact CG1-CG2 4.47Å; V319-V323 VanDerWaalsContact O-CG2 3.3Å; V319-V323 WeakPolarHBondContact O-CG2 3.36Å; V319-V323 PolarHBondContact O-N 3.19Å
320	V	84.9	Confident	79.6	Confident	83 Å²	83	76.2 Å²	76.2	50%	0.503	50%	0.495	S	S	.	.	H	α-helix	trans	-61.6	-44.5	177.2	171.4	0	0	0	0	111.2	A316 V317 A322 V323 L324	A316-V320 VanDerWaalsContact O-CG2 3.3Å; A316-V320 WeakPolarHBondContact O-CG2 3.2Å; A316-V320 PolarHBondContact O-N 3.05Å; V317-V320 PolarHBondContact O-N 2.72Å; V320-A322 PolarHBondContact O-N 3.42Å; V320-V323 PolarHBondContact O-N 3.36Å; V320-L324 HydrophobicContact CG1-CD1 3.94Å; V320-L324 HydrophobicContact CG1-CG 4.44Å; V320-L324 WeakPolarHBondContact O-CB 3.35Å; V320-L324 VanDerWaalsContact O-CG 3.31Å; V320-L324 WeakPolarHBondContact O-CG 3.22Å; V320-L324 PolarHBondContact O-N 2.77Å
321	L	84.7	Confident	79.8	Confident	105 Å²	105	80.3 Å²	80.3	55%	0.55	50%	0.504	S	S	.	.	H	α-helix	trans	-64	-39.8	177.1	-72.2	172.3	0	0	0	112.2	V317 L318 V319 L324 G325	V317-L321 HydrophobicContact CG1-CD1 3.96Å; V317-L321 HydrophobicContact CG1-CG 4.37Å; V317-L321 WeakPolarHBondContact O-CB 3.41Å; V317-L321 WeakPolarHBondContact O-CG 3.42Å; V317-L321 PolarHBondContact O-N 3.22Å; L318-L321 PolarHBondContact O-N 3.28Å; V319-L321 PolarHBondContact O-N 3.33Å; L321-L324 PolarHBondContact O-N 2.88Å; L321-G325 PolarHBondContact O-N 3.16Å
322	A	82.8	Confident	79.6	Confident	66 Å²	66	82 Å²	82	55%	0.545	51%	0.511	S	S	.	.	H	α-helix	trans	-64.4	-42.2	176.1	0	0	0	0	0	111.9	L318 V319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.41Å; L318-A322 PolarHBondContact O-N 2.65Å; V319-A322 PolarHBondContact O-N 2.71Å; V320-A322 PolarHBondContact O-N 3.42Å; A322-G325 PolarHBondContact O-N 2.74Å; A322-A326 WeakPolarHBondContact O-CB 3.5Å; A322-A326 PolarHBondContact O-N 3.06Å
323	V	82.9	Confident	78.9	Confident	85 Å²	85	81.5 Å²	81.5	52%	0.515	51%	0.511	S	S	.	.	H	α-helix	trans	-64.5	-45.2	176	172.9	0	0	0	0	110.8	V319 V320 G325 A326 V327	V319-V323 HydrophobicContact CG1-CG2 4.47Å; V319-V323 VanDerWaalsContact O-CG2 3.3Å; V319-V323 WeakPolarHBondContact O-CG2 3.36Å; V319-V323 PolarHBondContact O-N 3.19Å; V320-V323 PolarHBondContact O-N 3.36Å; V323-G325 PolarHBondContact O-N 2.86Å; V323-A326 PolarHBondContact O-N 3.05Å; V323-V327 HydrophobicContact CG1-CG2 4.46Å; V323-V327 VanDerWaalsContact O-CG2 3.28Å; V323-V327 WeakPolarHBondContact O-CG2 3.35Å; V323-V327 PolarHBondContact O-N 3.16Å
324	L	82.4	Confident	78.2	Confident	102 Å²	102	88.8 Å²	88.8	53%	0.534	53%	0.526	S	S	.	.	H	α-helix	trans	-62.2	-42.9	176.1	-70.9	171.8	0	0	0	111.7	V320 L321 A326 V327 V328	V320-L324 HydrophobicContact CG1-CD1 3.94Å; V320-L324 HydrophobicContact CG1-CG 4.44Å; V320-L324 WeakPolarHBondContact O-CB 3.35Å; V320-L324 VanDerWaalsContact O-CG 3.31Å; V320-L324 WeakPolarHBondContact O-CG 3.22Å; V320-L324 PolarHBondContact O-N 2.77Å; L321-L324 PolarHBondContact O-N 2.88Å; L324-A326 PolarHBondContact O-N 2.9Å; L324-V327 PolarHBondContact O-N 3.31Å; L324-V328 VanDerWaalsContact O-CG2 3.31Å; L324-V328 WeakPolarHBondContact O-CG2 3.22Å; L324-V328 PolarHBondContact O-N 3.15Å
325	G	80.4	Confident	77	Confident	35 Å²	35	97.6 Å²	97.6	36%	0.361	55%	0.549	S	S	.	.	H	α-helix	trans	-60.4	-42.6	174.6	0	0	0	0	0	112.8	L321 A322 V323 V328 T329	L321-G325 PolarHBondContact O-N 3.16Å; A322-G325 PolarHBondContact O-N 2.74Å; V323-G325 PolarHBondContact O-N 2.86Å; G325-V328 PolarHBondContact O-N 3.21Å; G325-T329 WeakPolarHBondContact O-CB 3.39Å; G325-T329 PolarHBondContact O-N 3.41Å; G325-T329 PolarHBondContact O-OG1 3.31Å
326	A	78.9	Confident	75.4	Confident	60 Å²	60	101.7 Å²	101.7	50%	0.496	56%	0.562	S	S	.	*	H	α-helix	trans	-65.1	-41.1	175.7	0	0	0	0	0	112.2	A322 V323 L324 T329 A330	A322-A326 WeakPolarHBondContact O-CB 3.5Å; A322-A326 PolarHBondContact O-N 3.06Å; V323-A326 PolarHBondContact O-N 3.05Å; L324-A326 PolarHBondContact O-N 2.9Å; A326-T329 PolarHBondContact O-N 3.05Å; A326-A330 VanDerWaalsContact O-CB 3.28Å; A326-A330 WeakPolarHBondContact O-CB 3.37Å; A326-A330 PolarHBondContact O-N 3.45Å
327	V	79.6	Confident	73.9	Confident	76 Å²	76	103.5 Å²	103.5	46%	0.461	57%	0.572	S	S	.	*	H	α-helix	trans	-65.3	-44.4	176.9	171.5	0	0	0	0	111.2	V323 L324 A330 M331	V323-V327 HydrophobicContact CG1-CG2 4.46Å; V323-V327 VanDerWaalsContact O-CG2 3.28Å; V323-V327 WeakPolarHBondContact O-CG2 3.35Å; V323-V327 PolarHBondContact O-N 3.16Å; L324-V327 PolarHBondContact O-N 3.31Å; V327-A330 PolarHBondContact O-N 3.32Å; V327-M331 HydrophobicContact CG1-CG 4.38Å; V327-M331 WeakPolarHBondContact O-CB 3.28Å; V327-M331 VanDerWaalsContact O-CG 3.23Å; V327-M331 WeakPolarHBondContact O-CG 3.38Å; V327-M331 PolarHBondContact O-N 2.97Å
328	V	78.1	Confident	72.1	Confident	82 Å²	82	104.5 Å²	104.5	50%	0.497	58%	0.583	S	S	.	*	H	α-helix	trans	-62.2	-44.6	176.2	171.4	0	0	0	0	110.6	L324 G325 M331 M332	L324-V328 VanDerWaalsContact O-CG2 3.31Å; L324-V328 WeakPolarHBondContact O-CG2 3.22Å; L324-V328 PolarHBondContact O-N 3.15Å; G325-V328 PolarHBondContact O-N 3.21Å; V328-M331 PolarHBondContact O-N 3.19Å; V328-M332 HydrophobicContact CG1-SD 4.22Å; V328-M332 WeakPolarHBondContact O-CG 3.31Å; V328-M332 PolarHBondContact O-N 3.05Å
329	T	73.1	Confident	69.9	Low	86 Å²	86	102.2 Å²	102.2	53%	0.528	59%	0.586	S	S	.	*	H	α-helix	trans	-62.1	-45.4	177.2	-53.9	0	0	0	0	111.2	G325 A326 M331 M332 C333	G325-T329 WeakPolarHBondContact O-CB 3.39Å; G325-T329 PolarHBondContact O-N 3.41Å; G325-T329 PolarHBondContact O-OG1 3.31Å; A326-T329 PolarHBondContact O-N 3.05Å; T329-M331 PolarHBondContact O-N 3.3Å; T329-M332 PolarHBondContact O-N 3.41Å; T329-C333 WeakPolarHBondContact O-CB 3.16Å; T329-C333 PolarHBondContact O-N 3Å; T329-C333 PolarHBondContact O-SG 3.07Å; T329-C333 VanDerWaalsContact O-SG 3.34Å
330	A	71.7	Confident	67.7	Low	53 Å²	53	101.4 Å²	101.4	44%	0.438	60%	0.597	S	S	.	*	H	α-helix	trans	-64.4	-37.5	176.7	0	0	0	0	0	112.6	A326 V327 C333 R334	A326-A330 VanDerWaalsContact O-CB 3.28Å; A326-A330 WeakPolarHBondContact O-CB 3.37Å; A326-A330 PolarHBondContact O-N 3.45Å; V327-A330 PolarHBondContact O-N 3.32Å; A330-C333 PolarHBondContact O-N 2.94Å; A330-R334 WeakPolarHBondContact O-CB 3.29Å; A330-R334 WeakPolarHBondContact O-CG 3.43Å; A330-R334 PolarHBondContact O-N 3.42Å
331	M	70.8	Confident	65.2	Low	130 Å²	130	108 Å²	108	64%	0.64	62%	0.618	S	S	*	*	H	α-helix	trans	-67.6	-39.6	174.7	-73.4	-124.8	-70.5	0	0	112	V327 V328 T329 R334 R335	V327-M331 HydrophobicContact CG1-CG 4.38Å; V327-M331 WeakPolarHBondContact O-CB 3.28Å; V327-M331 VanDerWaalsContact O-CG 3.23Å; V327-M331 WeakPolarHBondContact O-CG 3.38Å; V327-M331 PolarHBondContact O-N 2.97Å; V328-M331 PolarHBondContact O-N 3.19Å; T329-M331 PolarHBondContact O-N 3.3Å; M331-R334 PolarHBondContact O-N 2.64Å; M331-R335 WeakPolarHBondContact O-CB 3.48Å; M331-R335 PolarHBondContact O-N 3.41Å
332	M	69.8	Low	62.7	Low	133 Å²	133	106.8 Å²	106.8	66%	0.655	63%	0.631	S	S	*	*	H	α-helix	trans	-68	-38.9	174.4	-69.6	-175.8	81.4	0	0	111.9	V328 T329 R335 K336	V328-M332 HydrophobicContact CG1-SD 4.22Å; V328-M332 WeakPolarHBondContact O-CG 3.31Å; V328-M332 PolarHBondContact O-N 3.05Å; T329-M332 PolarHBondContact O-N 3.41Å; M332-R335 PolarHBondContact O-N 2.9Å; M332-K336 WeakPolarHBondContact O-CB 3.23Å; M332-K336 PolarHBondContact O-N 2.71Å
333	C	60.7	Low	60.3	Low	80 Å²	80	107.8 Å²	107.8	54%	0.541	65%	0.648	S	S	.	*	H	α-helix	trans	-63.2	-41.6	171.6	-72.7	0	0	0	0	111.8	T329 A330 K336 S337	T329-C333 WeakPolarHBondContact O-CB 3.16Å; T329-C333 PolarHBondContact O-N 3Å; T329-C333 PolarHBondContact O-SG 3.07Å; T329-C333 VanDerWaalsContact O-SG 3.34Å; A330-C333 PolarHBondContact O-N 2.94Å; C333-K336 PolarHBondContact O-N 2.88Å; C333-S337 PolarHBondContact O-N 3.16Å; C333-S337 PolarHBondContact O-OG 3.11Å
334	R	59.8	Low	58	Low	207 Å²	207	109.1 Å²	109.1	78%	0.781	66%	0.661	S	S	*	*	H	α-helix	trans	-68.6	-32.3	175.3	-82.1	-171.9	164.2	-175.4	-3.1	113.5	A330 M331 K336 S337	A330-R334 WeakPolarHBondContact O-CB 3.29Å; A330-R334 WeakPolarHBondContact O-CG 3.43Å; A330-R334 PolarHBondContact O-N 3.42Å; M331-R334 PolarHBondContact O-N 2.64Å; R334-K336 VanDerWaalsContact C-N 3.32Å; R334-S337 PolarHBondContact O-OG 2.99Å
335	R	56.1	Low	55.5	Low	221 Å²	221	109.7 Å²	109.7	83%	0.834	67%	0.673	S	S	*	*	H	α-helix	trans	-71.6	-27.2	172.7	-123.7	178.3	-179.2	176.4	0.1	112.4	M331 M332	M331-R335 WeakPolarHBondContact O-CB 3.48Å; M331-R335 PolarHBondContact O-N 3.41Å; M332-R335 PolarHBondContact O-N 2.9Å
336	K	49.5	Very low	53.2	Low	185 Å²	185	112.9 Å²	112.9	80%	0.804	69%	0.689	S	S	*	*	H	α-helix	trans	-88.6	-16.3	179.6	-161.6	159.6	-178	175.4	0	113.7	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.23Å; M332-K336 PolarHBondContact O-N 2.71Å; C333-K336 PolarHBondContact O-N 2.88Å; R334-K336 VanDerWaalsContact C-N 3.32Å
337	S	50.7	Low	51.2	Low	92 Å²	92	119 Å²	119	64%	0.643	71%	0.707	S	S	*	*	S	Bend	trans	-89.2	2.9	176.8	58.8	0	0	0	0	115.2	C333 R334 G339	C333-S337 PolarHBondContact O-N 3.16Å; C333-S337 PolarHBondContact O-OG 3.11Å; R334-S337 PolarHBondContact O-OG 2.99Å; S337-G339 VanDerWaalsContact C-N 3.35Å
338	S	48.3	Very low	48.8	Very low	110 Å²	110	119.9 Å²	119.9	77%	0.769	72%	0.723	S	S	*	*	S	Bend	trans	-95.3	31.7	173.6	84	0	0	0	0	113.8
339	G	38.9	Very low	46.5	Very low	64 Å²	64	120.5 Å²	120.5	66%	0.66	74%	0.736	S	S	*	*	S	Bend	trans	-153.8	82.6	-179.6	0	0	0	0	0	113.3	S337	S337-G339 VanDerWaalsContact C-N 3.35Å
340	G	36.8	Very low	44.7	Very low	75 Å²	75	122.5 Å²	122.5	77%	0.773	75%	0.752	S	S	*	*			trans	60.9	104.3	141.1	0	0	0	0	0	121.5
341	K	33.8	Very low	42.8	Very low	221 Å²	221	125.9 Å²	125.9	96%	0.961	77%	0.773	S	S	*	*				66.6	119	115.4	-148.4	159.3	-174.9	172.1	0	120.4
342	G	32.7	Very low	41.2	Very low	79 Å²	79	127.2 Å²	127.2	81%	0.814	78%	0.782	S	S	*	*			trans	131.4	127	135.6	0	0	0	0	0	117.5
343	G	31.6	Very low	39.8	Very low	88 Å²	88	126.6 Å²	126.6	91%	0.907	79%	0.792	S	S	*	*			trans	117.9	116.7	142.2	0	0	0	0	0	117.5
344	S	34.4	Very low	38.7	Very low	112 Å²	112	127.4 Å²	127.4	78%	0.783	80%	0.804	S	S	*	*			trans	-94.9	161.5	-175.5	-179.8	0	0	0	0	114.3
345	C	30.8	Very low	37.6	Very low	115 Å²	115	127.4 Å²	127.4	78%	0.777	81%	0.813	S	S	*	*			trans	53.6	147.2	151.5	-87.8	0	0	0	0	119.9
346	S	32.3	Very low	36.3	Very low	101 Å²	101	120 Å²	120	71%	0.706	81%	0.805	S	S	*	*			cis	-169.1	144.8	26.5	6.2	0	0	0	0	111.5
347	Q	35.4	Very low	35.8	Very low	189 Å²	189	116.5 Å²	116.5	88%	0.883	80%	0.804	S	S	*	*				54.9	141.9	127.8	-147.5	167.8	1.1	0	0	124.9
348	A	29.7	Very low	35	Very low	95 Å²	95	119 Å²	119	79%	0.785	81%	0.81	S	S	*	*			trans	88.4	137.8	156.6	0	0	0	0	0	116.8
349	A	30	Very low	34.3	Very low	94 Å²	94	122.1 Å²	122.1	78%	0.777	81%	0.812	S	S	*	*			cis	-153.3	149.1	24.2	0	0	0	0	0	112.9
350	C	34.7	Very low	34	Very low	128 Å²	128	123.7 Å²	123.7	87%	0.865	81%	0.813	S	S	*	*			trans	-72.8	155.8	158.5	-67.6	0	0	0	0	110.9
351	S	32.1	Very low	33.9	Very low	124 Å²	124	126.8 Å²	126.8	87%	0.867	81%	0.811	S	S	*	*			trans	-140.9	117	150.1	-3.1	0	0	0	0	109.4
352	N	37	Very low	33.9	Very low	158 Å²	158	122.9 Å²	122.9	85%	0.845	80%	0.799	S	S	*	*			trans	-115.6	140.6	166.3	-106.6	-9.5	0	0	0	106.6
353	S	40.4	Very low	33.7	Very low	121 Å²	121	125.8 Å²	125.8	85%	0.846	80%	0.801	S	S	*	*			trans	-167.9	109.4	155.5	-58.9	0	0	0	0	106
354	A	38	Very low	33.8	Very low	97 Å²	97	127.2 Å²	127.2	80%	0.802	80%	0.797	S	S	*	*			cis	86.8	111.8	49.9	0	0	0	0	0	114.4
355	Q	35.5	Very low	33.8	Very low	207 Å²	207	131.8 Å²	131.8	97%	0.967	80%	0.802	S	S	*	*			trans	171.4	133.5	141.4	-103.6	168.7	-13.3	0	0	107.5
356	G	30	Very low	34.2	Very low	64 Å²	64	134.6 Å²	134.6	66%	0.66	83%	0.834	S	S	*	*			cis	162.7	137.1	3.3	0	0	0	0	0	106.8
357	S	38	Very low	34.3	Very low	112 Å²	112	136.3 Å²	136.3	78%	0.783	84%	0.84	S	S	*	*			trans	43	142.1	141.4	-45.1	0	0	0	0	120.4
358	D	34.7	Very low	34.2	Very low	146 Å²	146	133.5 Å²	133.5	78%	0.781	84%	0.838	S	S	*	*			cis	-166.7	160.3	14.9	-108.1	-18.6	0	0	0	110.8
359	E	34.2	Very low	34.5	Very low	175 Å²	175	135.7 Å²	135.7	82%	0.818	84%	0.841	S	S	*	*			trans	-19.3	140.7	156.5	-117.8	174.8	138.6	0	0	121.2
360	S	32.3	Very low	34.7	Very low	97 Å²	97	138.1 Å²	138.1	68%	0.678	85%	0.845	S	S	*	*				133.3	137.3	111.6	73	0	0	0	0	117.9
361	L	33.8	Very low	34.8	Very low	140 Å²	140	138.8 Å²	138.8	73%	0.733	84%	0.843	S	S	*	*			trans	83.7	105.4	146.6	-67.8	160	0	0	0	122
362	I	33.4	Very low	34.9	Very low	138 Å²	138	139.7 Å²	139.7	71%	0.708	84%	0.842	S	S	*	*				51.4	118.5	119.6	-59	177.2	0	0	0	118.1
363	T	30	Very low	34.8	Very low	140 Å²	140	138.4 Å²	138.4	86%	0.859	84%	0.841	S	S	*	*				-167.5	130.8	112.9	18.8	0	0	0	0	111.8
364	C	34.1	Very low	34.3	Very low	119 Å²	119	139.8 Å²	139.8	80%	0.804	84%	0.841	S	S	*	*			trans	-90.8	149.5	165.8	-82.5	0	0	0	0	110.5
365	K	34	Very low	34	Very low	208 Å²	208	143.3 Å²	143.3	90%	0.904	84%	0.844	S	S	*	*			trans	69	123.5	149.5	-80.3	-177.6	172.6	179.8	0	119.6
366	A	38.4	Very low	33.9	Very low	174 Å²	174	137.5 Å²	137.5	100%	1.438	83%	0.833	S	S	*	*				-139.3	0	88.5	0	0	0	0	0	109.3

Retrieved 366 of 366 residues in 61.7 ms (Link to these results)

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