A0A090KM89_HUMAN Loading...

HLA class I antigen

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

AlphaFold DB , UniProt , Accession A0A090KM89, 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	35.4	Very low	44.9	Very low	240 Å²	240	143.3 Å²	143.3	100%	1.182	72%	0.717	S	S	*	*				0	105.1	0	-78.6	161.2	152.5	0	0	108.2	V3	M1-V3 PolarHBondContact O-N 3.21Å
2	R	35.6	Very low	44.9	Very low	251 Å²	251	142.2 Å²	142.2	95%	0.947	71%	0.714	S	S	*	*			trans	-77.6	111.9	171.7	-92.6	179.3	172.5	162.8	-2.5	107.1	M4	R2-M4 PolarHBondContact O-N 3.21Å
3	V	40.9	Very low	44.6	Very low	139 Å²	139	139.1 Å²	139.1	84%	0.842	70%	0.7	S	S	*	*			trans	-69.6	102.3	171.1	179.2	0	0	0	0	106.7	M1 A5	M1-V3 PolarHBondContact O-N 3.21Å; V3-A5 PolarHBondContact O-N 3.5Å
4	M	42.1	Very low	44.5	Very low	178 Å²	178	133.7 Å²	133.7	88%	0.877	68%	0.682	S	S	*	*			trans	-81.8	97.4	176.2	-157.2	168.2	65.1	0	0	106.4	R2	R2-M4 PolarHBondContact O-N 3.21Å
5	A	47.8	Very low	44.4	Very low	56 Å²	56	127.2 Å²	127.2	46%	0.463	66%	0.661	S	S	.	*			trans	-57.2	132.9	173.4	0	0	0	0	0	108.8	V3 R7	V3-A5 PolarHBondContact O-N 3.5Å; A5-R7 PolarHBondContact O-N 2.88Å
6	P	46.4	Very low	44.2	Very low	73 Å²	73	122.5 Å²	122.5	47%	0.474	65%	0.647	S	S	.	*			trans	-64.6	128.2	-175.6	23.5	-28.9	0	0	0	109.3	T8 L9	P6-T8 PolarHBondContact O-N 3.19Å; P6-L9 HydrophobicContact CG-CB 4.36Å; P6-L9 HydrophobicContact CG-CD1 4.4Å; P6-L9 WeakPolarHBondContact O-CB 3.34Å; P6-L9 PolarHBondContact O-N 3.05Å
7	R	50.6	Low	43.7	Very low	220 Å²	220	121.9 Å²	121.9	83%	0.83	64%	0.644	S	S	*	*	H	α-helix	trans	-51.1	-23	-179.4	-86.6	176.6	160.7	144.3	-6.4	113.9	A5 L11	A5-R7 PolarHBondContact O-N 2.88Å; R7-L11 PolarHBondContact O-N 3.18Å
8	T	49.6	Very low	43.3	Very low	96 Å²	96	118.3 Å²	118.3	59%	0.589	63%	0.633	S	S	*	*	H	α-helix	trans	-68.2	-33.9	173.9	38.7	0	0	0	0	113.7	P6 L12	P6-T8 PolarHBondContact O-N 3.19Å; T8-L12 WeakPolarHBondContact O-CG 3.44Å; T8-L12 PolarHBondContact O-N 2.94Å
9	L	43.5	Very low	43	Very low	100 Å²	100	117.5 Å²	117.5	52%	0.524	63%	0.629	S	S	.	*	H	α-helix	trans	-71.3	-35.9	177.9	-131.4	99	0	0	0	111.8	P6 L13	P6-L9 HydrophobicContact CG-CB 4.36Å; P6-L9 HydrophobicContact CG-CD1 4.4Å; P6-L9 WeakPolarHBondContact O-CB 3.34Å; P6-L9 PolarHBondContact O-N 3.05Å; L9-L13 WeakPolarHBondContact O-CB 3.34Å; L9-L13 WeakPolarHBondContact O-CD1 3.11Å; L9-L13 WeakPolarHBondContact O-CG 3.43Å; L9-L13 PolarHBondContact O-N 2.94Å; L9-L13 VanDerWaalsContact O-N 3.08Å
10	I	50.8	Low	42.6	Very low	97 Å²	97	116.2 Å²	116.2	50%	0.497	63%	0.625	S	S	.	*	H	α-helix	trans	-69.7	-38.9	178.9	-64.3	169.4	0	0	0	110.6	L13 S14	I10-L13 PolarHBondContact O-N 3.01Å; I10-S14 WeakPolarHBondContact O-CB 3.37Å; I10-S14 PolarHBondContact O-N 2.91Å; I10-S14 PolarHBondContact O-OG 3.35Å
11	L	51.3	Low	42.3	Very low	126 Å²	126	118.6 Å²	118.6	66%	0.66	63%	0.633	S	S	*	*	H	α-helix	trans	-68	-38.7	175.9	-76	164.1	0	0	0	112.8	R7 S14 G15	R7-L11 PolarHBondContact O-N 3.18Å; L11-S14 PolarHBondContact O-N 3.38Å; L11-G15 PolarHBondContact O-N 3.05Å
12	L	45.3	Very low	42.6	Very low	130 Å²	130	112.3 Å²	112.3	68%	0.681	61%	0.608	S	S	*	*	H	α-helix	trans	-65.7	-40.4	174.8	-77.5	163.8	0	0	0	112.4	T8 S14 A16	T8-L12 WeakPolarHBondContact O-CG 3.44Å; T8-L12 PolarHBondContact O-N 2.94Å; L12-S14 VanDerWaalsContact C-N 3.33Å; L12-A16 WeakPolarHBondContact O-CB 3.47Å; L12-A16 PolarHBondContact O-N 2.82Å
13	L	40.8	Very low	43.3	Very low	102 Å²	102	105 Å²	105	53%	0.534	58%	0.58	S	S	.	*	H	α-helix	trans	-67.3	-33.5	173.9	-77.9	159.9	0	0	0	112.3	L9 I10 L17	L9-L13 WeakPolarHBondContact O-CB 3.34Å; L9-L13 WeakPolarHBondContact O-CD1 3.11Å; L9-L13 WeakPolarHBondContact O-CG 3.43Å; L9-L13 PolarHBondContact O-N 2.94Å; L9-L13 VanDerWaalsContact O-N 3.08Å; I10-L13 PolarHBondContact O-N 3.01Å; L13-L17 WeakPolarHBondContact O-CB 3.2Å; L13-L17 WeakPolarHBondContact O-CD1 3.5Å; L13-L17 WeakPolarHBondContact O-CG 3.41Å; L13-L17 PolarHBondContact O-N 2.8Å
14	S	43.5	Very low	43.9	Very low	64 Å²	64	100.8 Å²	100.8	45%	0.448	56%	0.56	S	S	.	*	H	α-helix	trans	-71.8	-39	177	-52.1	0	0	0	0	112.2	I10 L11 L12 A18	I10-S14 WeakPolarHBondContact O-CB 3.37Å; I10-S14 PolarHBondContact O-N 2.91Å; I10-S14 PolarHBondContact O-OG 3.35Å; L11-S14 PolarHBondContact O-N 3.38Å; L12-S14 VanDerWaalsContact C-N 3.33Å; S14-A18 WeakPolarHBondContact O-CB 3.49Å; S14-A18 PolarHBondContact O-N 2.81Å
15	G	42.9	Very low	45.4	Very low	36 Å²	36	95 Å²	95	37%	0.371	54%	0.536	S	S	.	.	H	α-helix	trans	-67.6	-39.9	174.3	0	0	0	0	0	112.7	L11 L19	L11-G15 PolarHBondContact O-N 3.05Å; G15-L19 WeakPolarHBondContact O-CB 3.3Å; G15-L19 WeakPolarHBondContact O-CD1 3.48Å; G15-L19 PolarHBondContact O-N 3.31Å
16	A	40.7	Very low	47.4	Very low	52 Å²	52	96 Å²	96	43%	0.43	54%	0.54	S	S	.	.	H	α-helix	trans	-67.1	-40.1	175.1	0	0	0	0	0	112.6	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.47Å; L12-A16 PolarHBondContact O-N 2.82Å; A16-L19 PolarHBondContact O-N 3.31Å; A16-T20 WeakPolarHBondContact O-CG2 3.48Å; A16-T20 PolarHBondContact O-N 2.75Å; A16-T20 PolarHBondContact O-OG1 2.63Å
17	L	35.8	Very low	49.8	Very low	113 Å²	113	94 Å²	94	59%	0.592	52%	0.524	S	S	*	.	H	α-helix	trans	-66.6	-40.1	175.7	-82.1	160.1	0	0	0	112.2	L13 L19 T20 E21	L13-L17 WeakPolarHBondContact O-CB 3.2Å; L13-L17 WeakPolarHBondContact O-CD1 3.5Å; L13-L17 WeakPolarHBondContact O-CG 3.41Å; L13-L17 PolarHBondContact O-N 2.8Å; L17-L19 VanDerWaalsContact C-N 3.34Å; L17-L19 PolarHBondContact O-N 2.92Å; L17-T20 WeakPolarHBondContact CA-OG1 3.18Å; L17-T20 PolarHBondContact O-N 3.19Å; L17-T20 PolarHBondContact O-OG1 2.65Å; L17-E21 PolarHBondContact O-N 3.48Å; L17-E21 VanDerWaalsContact O-N 3.07Å
18	A	37.1	Very low	52	Low	56 Å²	56	84.6 Å²	84.6	46%	0.463	49%	0.492	S	S	.	.	H	α-helix	trans	-65.5	-35.5	174.7	0	0	0	0	0	112.5	S14	S14-A18 WeakPolarHBondContact O-CB 3.49Å; S14-A18 PolarHBondContact O-N 2.81Å
19	L	36.6	Very low	54.3	Low	103 Å²	103	80 Å²	80	54%	0.539	46%	0.464	S	S	.	.	H	α-helix	trans	-71.6	-28.8	173.7	-89.3	153.2	0	0	0	113	G15 A16 L17 T22	G15-L19 WeakPolarHBondContact O-CB 3.3Å; G15-L19 WeakPolarHBondContact O-CD1 3.48Å; G15-L19 PolarHBondContact O-N 3.31Å; A16-L19 PolarHBondContact O-N 3.31Å; L17-L19 VanDerWaalsContact C-N 3.34Å; L17-L19 PolarHBondContact O-N 2.92Å; L19-T22 PolarHBondContact O-OG1 3.46Å
20	T	35.7	Very low	57	Low	92 Å²	92	77.6 Å²	77.6	56%	0.564	45%	0.448	S	S	*	.	H	α-helix	trans	-80.6	-28.9	176.3	50.7	0	0	0	0	113.6	A16 L17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.48Å; A16-T20 PolarHBondContact O-N 2.75Å; A16-T20 PolarHBondContact O-OG1 2.63Å; L17-T20 WeakPolarHBondContact CA-OG1 3.18Å; L17-T20 PolarHBondContact O-N 3.19Å; L17-T20 PolarHBondContact O-OG1 2.65Å; T20-T22 VanDerWaalsContact C-N 3.34Å
21	E	36.7	Very low	59.2	Low	167 Å²	167	73.2 Å²	73.2	78%	0.78	43%	0.425	S	S	*	.	H	α-helix	trans	-72.4	-25.2	177.1	-94.6	-173	159	0	0	113.2	L17 W23	L17-E21 PolarHBondContact O-N 3.48Å; L17-E21 VanDerWaalsContact O-N 3.07Å; E21-W23 PolarHBondContact O-N 2.8Å
22	T	41.2	Very low	61.5	Low	107 Å²	107	71.2 Å²	71.2	66%	0.656	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-0.2	179.3	53	0	0	0	0	114.4	L19 T20	L19-T22 PolarHBondContact O-OG1 3.46Å; T20-T22 VanDerWaalsContact C-N 3.34Å
23	W	50.5	Low	64.1	Low	98 Å²	98	65.4 Å²	65.4	37%	0.371	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	7.3	-173.9	-77.9	74.6	0	0	0	114	E21 C25 H287 E288 L290	E21-W23 PolarHBondContact O-N 2.8Å; W23-C25 PolarHBondContact O-N 2.95Å; W23-H287 WeakPolarHBondContact CH2-O 3.49Å; W23-H287 WeakPolarHBondContact CZ2-O 3.49Å; W23-E288 HydrophobicContact CE3-CG 4.31Å; W23-E288 VanDerWaalsContact CH2-O 3.27Å; W23-E288 WeakPolarHBondContact CH2-O 3.4Å; W23-E288 VanDerWaalsContact CZ3-C 3.42Å; W23-E288 HydrophobicContact CZ3-CG 4.31Å; W23-E288 WeakPolarHBondContact CZ3-O 3.27Å; W23-L290 WeakPolarHBondContact CH2-O 3.47Å; W23-L290 VanDerWaalsContact CZ2-O 3.26Å; W23-L290 WeakPolarHBondContact CZ2-O 3.45Å
24	A	54.1	Low	66.8	Low	50 Å²	50	62.6 Å²	62.6	41%	0.413	37%	0.367	S	S	.	.	S	Bend	trans	-79.7	102.5	174.6	0	0	0	0	0	107.8	S26 P129	A24-S26 PolarHBondContact O-N 2.94Å; A24-P129 HydrophobicContact CB-CB 3.72Å; A24-P129 HydrophobicContact CB-CG 3.17Å
25	C	72.8	Confident	69.4	Low	57 Å²	57	59.6 Å²	59.6	39%	0.385	35%	0.347	S	S	.	.			trans	-54.9	107.6	-173.6	-55	0	0	0	0	111.1	W23 E288	W23-C25 PolarHBondContact O-N 2.95Å; C25-E288 PolarHBondContact SG-OE1 3.22Å
26	S	90.6	Very high	72.1	Confident	76 Å²	76	60.3 Å²	60.3	53%	0.531	34%	0.344	S	S	.	.			trans	-87.3	147.2	166.4	61.4	0	0	0	0	109.3	A24 L127	A24-S26 PolarHBondContact O-N 2.94Å; S26-L127 VanDerWaalsContact CA-O 3.29Å; S26-L127 WeakPolarHBondContact CA-O 3.46Å; S26-L127 WeakPolarHBondContact CB-O 3.42Å
27	H	95.1	Very high	74.8	Confident	31 Å²	31	58.7 Å²	58.7	14%	0.144	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	151.3	178.5	-68.7	-74.7	0	0	0	110.9	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.36Å; H27-D53 IonicContact CE1-OD2 3.46Å; H27-D53 IonicContact CG-OD2 3.45Å; H27-D53 IonicContact ND1-OD1 2.8Å; H27-D53 IonicContact ND1-OD2 2.72Å; H27-D53 PolarHBondContact ND1-OD2 2.85Å; H27-D126 CarbonylContact O-C 3.47Å; H27-D126 WeakPolarHBondContact O-CA 3.47Å; H27-L127 PolarHBondContact N-O 3.19Å; H27-L127 VanDerWaalsContact N-O 3.1Å; H27-L127 PolarHBondContact O-N 3.35Å; H27-L192 HydrophobicContact CB-CD1 4.48Å; H27-L196 HydrophobicContact CB-CD1 3.72Å; H27-L196 HydrophobicContact CB-CD2 4.04Å; H27-L196 HydrophobicContact CB-CG 4.46Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.42Å
28	S	97.4	Very high	77.7	Confident	24 Å²	24	56.9 Å²	56.9	17%	0.168	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	150.1	179.3	68.6	0	0	0	0	112.1	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.53Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.44Å; S28-D53 PolarHBondContact N-OD1 2.93Å; S28-D53 PolarHBondContact O-N 2.87Å; S28-C125 WeakPolarHBondContact CA-O 3.27Å; S28-D126 WeakPolarHBondContact CB-OD1 3.28Å
29	M	98.6	Very high	80.3	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	120.7	166.6	-176	172.1	58.7	0	0	108.2	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.21Å; M29-Y31 HydrophobicContact CG-CE2 4.01Å; M29-Y31 HydrophobicContact SD-CE2 3.96Å; M29-Y51 WeakPolarHBondContact CA-O 3.47Å; M29-V52 HydrophobicContact CG-CG2 4.36Å; M29-F57 HydrophobicContact CG-CE1 4.44Å; M29-F57 HydrophobicContact SD-CZ 4.39Å; M29-G124 CarbonylContact O-C 3.58Å; M29-G124 WeakPolarHBondContact O-CA 3.48Å; M29-C125 PolarHBondContact N-O 3.31Å; M29-C125 PolarHBondContact O-N 3.06Å; M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 WeakPolarHBondContact CE-O 3.35Å; M29-C188 WeakPolarHBondContact CE-SG 3.3Å; M29-W191 HydrophobicContact CE-CB 4.06Å; M29-W191 HydrophobicContact SD-CB 4.44Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.97Å; M29-L192 HydrophobicContact CB-CG 4.24Å; M29-L192 HydrophobicContact CE-CB 4.29Å; M29-L192 HydrophobicContact SD-CB 4.5Å; M29-Y195 HydrophobicContact SD-CD2 3.76Å; M29-Y195 HydrophobicContact SD-CE2 3.58Å; M29-Y195 VanDerWaalsContact SD-CE2 3.58Å
30	R	98.6	Very high	82.8	Confident	49 Å²	49	56.3 Å²	56.3	19%	0.185	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	136	-176.3	-57.5	-63.9	-178	79.2	3	110.7	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.45Å; R30-F32 HydrophobicContact CB-CE2 3.62Å; R30-F32 HydrophobicContact CB-CZ 3.89Å; R30-G50 CarbonylContact O-C 3.41Å; R30-G50 WeakPolarHBondContact O-CA 3.36Å; R30-Y51 PolarHBondContact N-O 3.08Å; R30-Y51 PolarHBondContact O-N 2.83Å; R30-D126 IonicContact CZ-OD1 3.78Å; R30-D126 IonicContact NE-OD1 3.46Å; R30-D126 PolarHBondContact NE-OD1 2.88Å; R30-D126 VanDerWaalsContact NE-OD1 3.16Å; R30-D126 VanDerWaalsContact NH2-CG 3.3Å; R30-D126 IonicContact NH2-OD1 3.06Å; R30-D126 PolarHBondContact NH2-OD1 3.21Å; R30-D126 IonicContact NH2-OD2 3Å; R30-D126 PolarHBondContact NH2-OD2 2.92Å; R30-Y137 VanDerWaalsContact NH2-CZ 3.25Å; R30-Y137 PolarHBondContact NH2-OH 2.83Å
31	Y	98.8	Very high	85.5	Confident	5 Å²	5	61.8 Å²	61.8	2%	0.02	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	135	170.1	-69.3	-92.2	0	0	0	109.5	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.21Å; M29-Y31 HydrophobicContact CG-CE2 4.01Å; M29-Y31 HydrophobicContact SD-CE2 3.96Å; Y31-Y33 HydrophobicContact CD1-CE1 4.25Å; Y31-Y33 HydrophobicContact CG-CE1 4.48Å; Y31-V49 CarbonylContact C-O 3.59Å; Y31-V49 WeakPolarHBondContact CA-O 3.3Å; Y31-F57 AromaticContact CE1-CZ 3.98Å; Y31-F57 HydrophobicContact CE1-CZ 3.98Å; Y31-F57 AromaticContact CZ-CZ 3.76Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.3Å; Y31-V58 HydrophobicContact CE1-CG1 4.02Å; Y31-M122 WeakPolarHBondContact O-CA 3.25Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.45Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.46Å; Y31-Y123 HydrophobicContact CD2-CD2 4.44Å; Y31-Y123 AromaticContact CD2-CE2 3.64Å; Y31-Y123 HydrophobicContact CD2-CE2 3.64Å; Y31-Y123 AromaticContact CD2-CZ 3.68Å; Y31-Y123 HydrophobicContact CE2-CE2 4.38Å; Y31-Y123 HydrophobicContact CG-CE1 4.16Å; Y31-Y123 HydrophobicContact CG-CE2 4.09Å; Y31-Y123 AromaticContact CG-CZ 3.64Å; Y31-Y123 PolarHBondContact N-O 3.28Å; Y31-Y123 PolarHBondContact O-N 3.18Å; Y31-Y123 VanDerWaalsContact O-N 3.12Å
32	F	98.9	Very high	88.2	Confident	83 Å²	83	56.7 Å²	56.7	36%	0.364	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	116.7	178.1	-56.6	-93.9	0	0	0	109.1	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.45Å; R30-F32 HydrophobicContact CB-CE2 3.62Å; R30-F32 HydrophobicContact CB-CZ 3.89Å; F32-A48 WeakPolarHBondContact O-CA 3.33Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.3Å; F32-V49 PolarHBondContact N-O 2.85Å; F32-V49 PolarHBondContact O-N 3.23Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.15Å; F32-R121 WeakPolarHBondContact CA-O 3.11Å; F32-M122 HydrophobicContact CD1-CB 4Å; F32-M122 HydrophobicContact CD1-CG 3.68Å; F32-M122 HydrophobicContact CE1-CB 4.14Å; F32-M122 HydrophobicContact CE1-CG 3.4Å; F32-M122 VanDerWaalsContact CE1-CG 3.4Å; F32-M122 HydrophobicContact CZ-CG 4.06Å
33	Y	98.8	Very high	90.7	Very high	9 Å²	9	56 Å²	56	4%	0.035	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	138.8	177.7	-58.6	-12.1	0	0	0	109.4	Y31 F46 I47 A48 Y91 Q94 Q120 R121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.25Å; Y31-Y33 HydrophobicContact CG-CE1 4.48Å; Y33-F46 HydrophobicContact CD1-CZ 4.31Å; Y33-F46 HydrophobicContact CD2-CE2 4.2Å; Y33-F46 AromaticContact CD2-CZ 3.97Å; Y33-F46 HydrophobicContact CD2-CZ 3.97Å; Y33-F46 HydrophobicContact CE2-CZ 4.38Å; Y33-F46 HydrophobicContact CG-CE2 4.13Å; Y33-F46 AromaticContact CG-CZ 3.89Å; Y33-F46 HydrophobicContact CG-CZ 3.89Å; Y33-I47 CarbonylContact C-O 3.6Å; Y33-I47 WeakPolarHBondContact CA-O 3.17Å; Y33-A48 HydrophobicContact CD1-CB 3.32Å; Y33-A48 HydrophobicContact CE1-CB 3.45Å; Y33-A48 VanDerWaalsContact CE1-CB 3.45Å; Y33-A48 HydrophobicContact CG-CB 4.24Å; Y33-Y91 HydrophobicContact CE1-CD1 4.28Å; Y33-Y91 AromaticContact CE1-CE1 3.87Å; Y33-Y91 HydrophobicContact CE1-CE1 3.87Å; Y33-Y91 AromaticContact CZ-CE1 3.96Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.39Å; Y33-Q94 HydrophobicContact CD2-CG 3.62Å; Y33-Q94 HydrophobicContact CE2-CB 4.35Å; Y33-Q94 HydrophobicContact CE2-CG 3.65Å; Y33-Q120 CarbonylContact O-C 3.55Å; Y33-Q120 VanDerWaalsContact O-CA 3.29Å; Y33-Q120 WeakPolarHBondContact O-CA 3.32Å; Y33-R121 PolarHBondContact N-O 2.86Å; Y33-R121 PolarHBondContact O-N 3.09Å; Y33-Y123 HydrophobicContact CD2-CE1 4.15Å; Y33-Y123 HydrophobicContact CE1-CE1 4.01Å; Y33-Y123 AromaticContact CE2-CE1 3.56Å; Y33-Y123 HydrophobicContact CE2-CE1 3.56Å; Y33-Y123 AromaticContact CZ-CE1 3.51Å; Y33-Y123 AromaticContact CZ-CZ 3.91Å; Y33-Y123 PolarHBondContact OH-OH 3.33Å
34	T	98.9	Very high	92.9	Very high	42 Å²	42	52.6 Å²	52.6	26%	0.258	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	121.6	176.3	-57.5	0	0	0	0	109.1	V36 F46 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 3.92Å; T34-F46 WeakPolarHBondContact O-CA 2.94Å; T34-I47 PolarHBondContact N-O 2.8Å; T34-I47 PolarHBondContact O-N 2.88Å; T34-T118 HydrophobicContact CG2-CG2 4.02Å; T34-L119 WeakPolarHBondContact CA-O 3.5Å; T34-Q120 HydrophobicContact CG2-CG 4.09Å
35	A	98.8	Very high	95	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.008	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123.7	172.7	0	0	0	0	0	109.6	R45 F46 D98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.49Å; A35-R45 VanDerWaalsContact CA-O 3.28Å; A35-R45 WeakPolarHBondContact CA-O 3.44Å; A35-F46 HydrophobicContact CB-CD2 4.29Å; A35-D98 HydrophobicContact CB-CB 3.7Å; A35-L102 HydrophobicContact CB-CD1 3.9Å; A35-T118 WeakPolarHBondContact O-CA 3.33Å; A35-L119 HydrophobicContact CB-CB 4.47Å; A35-L119 PolarHBondContact N-O 3.17Å; A35-L119 PolarHBondContact O-N 3.46Å
36	V	98.6	Very high	96.3	Very high	51 Å²	51	52.1 Å²	52.1	31%	0.309	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	115.6	-178.7	-173	0	0	0	0	109.2	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 3.92Å; V36-P44 CarbonylContact O-C 3.55Å; V36-P44 WeakPolarHBondContact O-CA 3.45Å; V36-P44 WeakPolarHBondContact O-CB 3.36Å; V36-R45 PolarHBondContact N-O 2.82Å; V36-R45 PolarHBondContact O-N 2.68Å; V36-H117 WeakPolarHBondContact CA-O 3.37Å; V36-T118 HydrophobicContact CG2-CG2 4.28Å
37	S	97.9	Very high	96.6	Very high	18 Å²	18	50.8 Å²	50.8	13%	0.126	28%	0.277	C	S	.	.			trans	-68.8	145.6	173.5	71.7	0	0	0	0	110.4	S116 H117	S37-S116 PolarHBondContact O-OG 2.93Å; S37-H117 PolarHBondContact N-O 3Å; S37-H117 PolarHBondContact OG-N 3Å; S37-H117 PolarHBondContact OG-O 3.44Å
38	R	95.9	Very high	96.8	Very high	76 Å²	76	49.3 Å²	49.3	29%	0.287	27%	0.27	S	S	.	.			trans	-138.4	74.4	-179.5	52.8	173.8	176.2	-161	-10.4	110.9	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.21Å; R38-R41 HydrophobicContact CB-CB 4.12Å; R38-R41 WeakPolarHBondContact CD-O 3.11Å; R38-R41 HydrophobicContact CG-CB 4.16Å; R38-R41 PolarHBondContact NE-O 3.23Å; R38-R41 VanDerWaalsContact NE-O 3.14Å; R38-R41 PolarHBondContact O-N 2.85Å; R38-E43 VanDerWaalsContact CZ-O 3.29Å; R38-E43 PolarHBondContact NE-O 2.97Å; R38-E43 PolarHBondContact NH2-O 3.01Å; R38-D63 IonicContact CZ-OD1 3.11Å; R38-D63 IonicContact CZ-OD2 2.8Å; R38-D63 IonicContact NH1-OD1 3.46Å; R38-D63 PolarHBondContact NH1-OD1 3.13Å; R38-D63 IonicContact NH1-OD2 3.11Å; R38-D63 PolarHBondContact NH1-OD2 3.31Å; R38-D63 IonicContact NH2-OD1 2.73Å; R38-D63 PolarHBondContact NH2-OD1 3.07Å; R38-D63 IonicContact NH2-OD2 3.67Å
39	P	91.4	Very high	96.9	Very high	57 Å²	57	49.5 Å²	49.5	37%	0.37	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	130.9	-176.9	-26.9	34.7	0	0	0	112.3	R41 E113 G115	P39-R41 PolarHBondContact O-N 2.67Å; P39-E113 VanDerWaalsContact CB-O 3.32Å; P39-E113 WeakPolarHBondContact CB-O 3.07Å; P39-E113 WeakPolarHBondContact CG-O 3.31Å; P39-G115 WeakPolarHBondContact CG-O 3.2Å
40	G	90.3	Very high	96.9	Very high	90 Å²	90	49.5 Å²	49.5	93%	0.928	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	0.4	-177.8	0	0	0	0	0	115.9	R38	R38-G40 PolarHBondContact O-N 3.21Å
41	R	92.6	Very high	96.9	Very high	207 Å²	207	50.5 Å²	50.5	78%	0.781	27%	0.274	S	S	*	.	S	Bend	trans	-123.1	24.9	179.9	-59.1	-174.8	-179.3	-176	0.5	113.4	R38 P39	R38-R41 HydrophobicContact CB-CB 4.12Å; R38-R41 WeakPolarHBondContact CD-O 3.11Å; R38-R41 HydrophobicContact CG-CB 4.16Å; R38-R41 PolarHBondContact NE-O 3.23Å; R38-R41 VanDerWaalsContact NE-O 3.14Å; R38-R41 PolarHBondContact O-N 2.85Å; P39-R41 PolarHBondContact O-N 2.67Å
42	G	91.5	Very high	96.9	Very high	59 Å²	59	50.3 Å²	50.3	61%	0.608	27%	0.274	S	S	*	.	S	Bend	trans	93.6	-159.7	178.8	0	0	0	0	0	113.8
43	E	94.3	Very high	96.7	Very high	93 Å²	93	47.7 Å²	47.7	44%	0.435	26%	0.263	S	S	.	.	S	Bend	trans	-70.8	154.3	-177	-65.5	-55.5	157.9	0	0	112.9	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.29Å; R38-E43 PolarHBondContact NE-O 2.97Å; R38-E43 PolarHBondContact NH2-O 3.01Å; E43-R45 PolarHBondContact O-N 2.87Å; E43-R99 VanDerWaalsContact CD-NE 3.34Å; E43-R99 IonicContact OE1-CZ 2.68Å; E43-R99 VanDerWaalsContact OE1-CZ 3.22Å; E43-R99 IonicContact OE1-NE 3.52Å; E43-R99 IonicContact OE1-NH1 2.76Å; E43-R99 IonicContact OE1-NH2 3.23Å; E43-R99 PolarHBondContact OE1-NH2 3.23Å; E43-R99 VanDerWaalsContact OE2-CD 3.3Å; E43-R99 WeakPolarHBondContact OE2-CD 3.35Å; E43-R99 IonicContact OE2-CZ 2.71Å; E43-R99 IonicContact OE2-NE 3.69Å; E43-R99 PolarHBondContact OE2-NE 3.2Å; E43-R99 IonicContact OE2-NH2 3.65Å; E43-R99 PolarHBondContact OE2-NH2 2.94Å
44	P	97.2	Very high	96.6	Very high	27 Å²	27	50.3 Å²	50.3	18%	0.175	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-51.3	133.2	173.4	-25.9	34.7	0	0	0	111.8	V36 R99 L102	V36-P44 CarbonylContact O-C 3.55Å; V36-P44 WeakPolarHBondContact O-CA 3.45Å; V36-P44 WeakPolarHBondContact O-CB 3.36Å; P44-R99 HydrophobicContact CG-CB 4.38Å; P44-R99 HydrophobicContact CG-CG 4.18Å; P44-L102 HydrophobicContact CB-CD1 3.7Å; P44-L102 HydrophobicContact CG-CD1 3.87Å
45	R	98.3	Very high	96.5	Very high	93 Å²	93	49.6 Å²	49.6	35%	0.351	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	129.7	173.8	-177	-179.3	-177.6	-176.5	-1.7	108.5	A35 V36 E43 I47 D61 D63	A35-R45 CarbonylContact C-O 3.49Å; A35-R45 VanDerWaalsContact CA-O 3.28Å; A35-R45 WeakPolarHBondContact CA-O 3.44Å; V36-R45 PolarHBondContact N-O 2.82Å; V36-R45 PolarHBondContact O-N 2.68Å; E43-R45 PolarHBondContact O-N 2.87Å; R45-I47 HydrophobicContact CG-CG1 4.34Å; R45-D61 IonicContact CZ-OD1 3.06Å; R45-D61 IonicContact CZ-OD2 3.22Å; R45-D61 IonicContact NE-OD1 3.36Å; R45-D61 PolarHBondContact NE-OD1 3.01Å; R45-D61 IonicContact NE-OD2 2.75Å; R45-D61 IonicContact NH2-OD1 2.61Å; R45-D61 PolarHBondContact NH2-OD1 3.38Å; R45-D61 IonicContact NH2-OD2 3.63Å; R45-D61 PolarHBondContact NH2-OD2 2.98Å; R45-D63 VanDerWaalsContact CD-OD2 3.29Å; R45-D63 WeakPolarHBondContact CD-OD2 3.04Å; R45-D63 HydrophobicContact CG-CB 4.41Å; R45-D63 IonicContact NE-OD2 3.19Å
46	F	98.8	Very high	96.4	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	-114.5	124.9	177.2	175.7	-92.8	0	0	0	110.1	Y33 T34 A35 A48 F60 S62 Y91 Q94 A95 D98	Y33-F46 HydrophobicContact CD1-CZ 4.31Å; Y33-F46 HydrophobicContact CD2-CE2 4.2Å; Y33-F46 AromaticContact CD2-CZ 3.97Å; Y33-F46 HydrophobicContact CD2-CZ 3.97Å; Y33-F46 HydrophobicContact CE2-CZ 4.38Å; Y33-F46 HydrophobicContact CG-CE2 4.13Å; Y33-F46 AromaticContact CG-CZ 3.89Å; Y33-F46 HydrophobicContact CG-CZ 3.89Å; T34-F46 WeakPolarHBondContact O-CA 2.94Å; A35-F46 HydrophobicContact CB-CD2 4.29Å; F46-A48 HydrophobicContact CE1-CB 3.77Å; F46-A48 HydrophobicContact CZ-CB 3.95Å; F46-F60 AromaticContact CD1-CD1 3.71Å; F46-F60 HydrophobicContact CD1-CD1 3.71Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.91Å; F46-F60 HydrophobicContact CE1-CD1 3.91Å; F46-F60 HydrophobicContact CE1-CE1 4.26Å; F46-S62 PolarHBondContact N-OG 3.02Å; F46-S62 PolarHBondContact O-N 3.34Å; F46-S62 PolarHBondContact O-OG 2.99Å; F46-Y91 HydrophobicContact CE1-CD1 4.38Å; F46-Q94 HydrophobicContact CE2-CB 4.33Å; F46-Q94 HydrophobicContact CE2-CG 3.79Å; F46-Q94 HydrophobicContact CZ-CB 4.01Å; F46-Q94 HydrophobicContact CZ-CG 3.81Å; F46-A95 HydrophobicContact CB-CB 3.69Å; F46-A95 HydrophobicContact CD1-CB 3.82Å; F46-A95 HydrophobicContact CD2-CB 4.16Å; F46-A95 HydrophobicContact CE1-CB 4.5Å; F46-A95 HydrophobicContact CG-CB 3.62Å; F46-D98 VanDerWaalsContact CE2-OD2 3.24Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.42Å
47	I	98.8	Very high	96.4	Very high	48 Å²	48	49.8 Å²	49.8	25%	0.246	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133.6	175.1	-59.1	171	0	0	0	107.8	Y33 T34 R45 V49 F60	Y33-I47 CarbonylContact C-O 3.6Å; Y33-I47 WeakPolarHBondContact CA-O 3.17Å; T34-I47 PolarHBondContact N-O 2.8Å; T34-I47 PolarHBondContact O-N 2.88Å; R45-I47 HydrophobicContact CG-CG1 4.34Å; I47-V49 HydrophobicContact CG2-CG1 4.45Å; I47-F60 WeakPolarHBondContact CA-O 3.47Å
48	A	98.8	Very high	96.4	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.3	171.2	0	0	0	0	0	110.2	F32 Y33 F46 R59 F60 Y91	F32-A48 WeakPolarHBondContact O-CA 3.33Å; Y33-A48 HydrophobicContact CD1-CB 3.32Å; Y33-A48 HydrophobicContact CE1-CB 3.45Å; Y33-A48 VanDerWaalsContact CE1-CB 3.45Å; Y33-A48 HydrophobicContact CG-CB 4.24Å; F46-A48 HydrophobicContact CE1-CB 3.77Å; F46-A48 HydrophobicContact CZ-CB 3.95Å; A48-R59 CarbonylContact O-C 3.54Å; A48-R59 VanDerWaalsContact O-CA 3.31Å; A48-R59 WeakPolarHBondContact O-CA 3.46Å; A48-F60 HydrophobicContact CB-CB 4.25Å; A48-F60 PolarHBondContact N-O 2.78Å; A48-F60 PolarHBondContact O-N 2.86Å; A48-Y91 HydrophobicContact CB-CD1 3.65Å; A48-Y91 HydrophobicContact CB-CE1 3.64Å
49	V	98.9	Very high	96.5	Very high	29 Å²	29	49.5 Å²	49.5	18%	0.176	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	146.2	171.6	-62.2	0	0	0	0	109.7	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 CarbonylContact C-O 3.59Å; Y31-V49 WeakPolarHBondContact CA-O 3.3Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.3Å; F32-V49 PolarHBondContact N-O 2.85Å; F32-V49 PolarHBondContact O-N 3.23Å; I47-V49 HydrophobicContact CG2-CG1 4.45Å; V49-Y51 HydrophobicContact CB-CE2 4.13Å; V49-Y51 HydrophobicContact CG2-CD2 4.38Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.26Å; V49-V58 WeakPolarHBondContact CA-O 3.29Å; V49-R59 HydrophobicContact CG1-CG 4.32Å
50	G	98.7	Very high	96.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.3	176	0	0	0	0	0	110.9	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.41Å; R30-G50 WeakPolarHBondContact O-CA 3.36Å; G50-Q56 WeakPolarHBondContact O-CA 3.41Å; G50-F57 WeakPolarHBondContact O-CD1 3.24Å; G50-F57 PolarHBondContact O-N 2.81Å; G50-V58 PolarHBondContact N-O 2.78Å; G50-V58 PolarHBondContact O-N 2.92Å
51	Y	98.6	Very high	97.3	Very high	70 Å²	70	43.3 Å²	43.3	28%	0.275	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	142.5	-179.2	-75.7	-103.2	0	0	0	110.3	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.47Å; R30-Y51 PolarHBondContact N-O 3.08Å; R30-Y51 PolarHBondContact O-N 2.83Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.15Å; V49-Y51 HydrophobicContact CB-CE2 4.13Å; V49-Y51 HydrophobicContact CG2-CD2 4.38Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; Y51-T55 WeakPolarHBondContact CA-O 3.35Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; Y51-Q56 HydrophobicContact CD1-CB 4.01Å; Y51-Q56 VanDerWaalsContact CD1-N 3.3Å; Y51-Q56 HydrophobicContact CD2-CG 4.35Å; Y51-Q56 HydrophobicContact CE1-CB 3.51Å; Y51-Q56 HydrophobicContact CE1-CG 4.22Å; Y51-Q56 HydrophobicContact CE2-CB 4.08Å; Y51-Q56 HydrophobicContact CE2-CG 3.84Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å
52	V	98.2	Very high	97.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	119.5	156.9	177.1	0	0	0	0	105.9	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.53Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.44Å; M29-V52 HydrophobicContact CG-CG2 4.36Å; V52-D54 PolarHBondContact O-N 3.22Å; V52-T55 PolarHBondContact N-O 2.03Å; V52-T55 WeakPolarHBondContact O-CB 3.35Å; V52-T55 PolarHBondContact O-N 2.83Å; V52-F57 HydrophobicContact CG2-CD1 3.98Å; V52-F57 HydrophobicContact CG2-CE1 4.03Å; V52-W75 HydrophobicContact CB-CH2 4.38Å; V52-W75 HydrophobicContact CB-CZ2 4.47Å; V52-W75 HydrophobicContact CG2-CH2 3.88Å; V52-W75 HydrophobicContact CG2-CZ2 4.44Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.27Å; V52-Y195 HydrophobicContact CG2-CD2 3.95Å; V52-Y195 HydrophobicContact CG2-CG 4.43Å; V52-L196 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.12Å; V52-L203 HydrophobicContact CG1-CD1 3.86Å; V52-L203 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CG1-CG 4.48Å
53	D	95.8	Very high	97.8	Very high	28 Å²	28	35.5 Å²	35.5	15%	0.15	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	-125.7	-166.4	-52.2	-38.7	0	0	0	110.3	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.36Å; H27-D53 IonicContact CE1-OD2 3.46Å; H27-D53 IonicContact CG-OD2 3.45Å; H27-D53 IonicContact ND1-OD1 2.8Å; H27-D53 IonicContact ND1-OD2 2.72Å; H27-D53 PolarHBondContact ND1-OD2 2.85Å; S28-D53 PolarHBondContact N-OD1 2.93Å; S28-D53 PolarHBondContact O-N 2.87Å; D53-T55 VanDerWaalsContact C-N 3.33Å
54	D	95.7	Very high	97.9	Very high	64 Å²	64	32.6 Å²	32.6	34%	0.342	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	8.3	178.7	-61.7	-54.1	0	0	0	113.7	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.22Å; D54-Y233 HydrophobicContact CB-CE2 4.03Å; D54-P234 VanDerWaalsContact OD2-CB 3.31Å; D54-P234 WeakPolarHBondContact OD2-CB 3.5Å; D54-A235 HydrophobicContact CB-CB 4.34Å; D54-A235 WeakPolarHBondContact OD2-CB 3.49Å; D54-A235 PolarHBondContact OD2-N 2.98Å; D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.69Å
55	T	96.6	Very high	97.9	Very high	28 Å²	28	36.9 Å²	36.9	17%	0.172	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	113.4	-177	-61.4	0	0	0	0	111.8	Y51 V52 D53 F57 A73 W75 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.35Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; V52-T55 PolarHBondContact N-O 2.03Å; V52-T55 WeakPolarHBondContact O-CB 3.35Å; V52-T55 PolarHBondContact O-N 2.83Å; D53-T55 VanDerWaalsContact C-N 3.33Å; T55-F57 PolarHBondContact O-N 2.85Å; T55-A73 HydrophobicContact CG2-CB 4.45Å; T55-W75 HydrophobicContact CG2-CZ2 4.5Å; T55-L203 HydrophobicContact CG2-CD2 4.11Å; T55-Y233 PolarHBondContact OG1-OH 2.81Å
56	Q	97.6	Very high	97.7	Very high	56 Å²	56	35.8 Å²	35.8	26%	0.262	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	130.7	172.7	-166.1	-179.5	4.7	0	0	110.4	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.26Å; G50-Q56 WeakPolarHBondContact O-CA 3.41Å; Y51-Q56 HydrophobicContact CD1-CB 4.01Å; Y51-Q56 VanDerWaalsContact CD1-N 3.3Å; Y51-Q56 HydrophobicContact CD2-CG 4.35Å; Y51-Q56 HydrophobicContact CE1-CB 3.51Å; Y51-Q56 HydrophobicContact CE1-CG 4.22Å; Y51-Q56 HydrophobicContact CE2-CB 4.08Å; Y51-Q56 HydrophobicContact CE2-CG 3.84Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å; Q56-V58 PolarHBondContact NE2-O 3.28Å; Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.11Å; Q56-R72 HydrophobicContact CG-CG 4.37Å; Q56-R72 CarbonylContact O-C 3.59Å
57	F	98.1	Very high	97.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	-20.4	179.3	75.4	-88	0	0	0	114.4	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.44Å; M29-F57 HydrophobicContact SD-CZ 4.39Å; Y31-F57 AromaticContact CE1-CZ 3.98Å; Y31-F57 HydrophobicContact CE1-CZ 3.98Å; Y31-F57 AromaticContact CZ-CZ 3.76Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.3Å; G50-F57 WeakPolarHBondContact O-CD1 3.24Å; G50-F57 PolarHBondContact O-N 2.81Å; V52-F57 HydrophobicContact CG2-CD1 3.98Å; V52-F57 HydrophobicContact CG2-CE1 4.03Å; T55-F57 PolarHBondContact O-N 2.85Å; F57-R72 PolarHBondContact O-N 3.29Å; F57-A73 HydrophobicContact CB-CB 4.09Å; F57-W75 HydrophobicContact CB-CH2 3.12Å; F57-W75 HydrophobicContact CB-CZ2 3.4Å; F57-W75 HydrophobicContact CB-CZ3 3.9Å; F57-W75 AromaticContact CD1-CH2 3.97Å; F57-W75 HydrophobicContact CD1-CH2 3.97Å; F57-W75 AromaticContact CD2-CH2 3.99Å; F57-W75 HydrophobicContact CD2-CH2 3.99Å; F57-W75 HydrophobicContact CD2-CZ3 4.22Å; F57-W75 AromaticContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CH2 3.45Å; F57-W75 VanDerWaalsContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CZ2 4.18Å; F57-W75 HydrophobicContact CG-CZ3 4.13Å; F57-V76 HydrophobicContact CB-CG1 4.39Å; F57-V76 HydrophobicContact CD2-CB 4.45Å; F57-V76 HydrophobicContact CD2-CG1 4.49Å; F57-V76 HydrophobicContact CD2-CG2 4.13Å; F57-V76 VanDerWaalsContact O-CG1 3.27Å; F57-V76 WeakPolarHBondContact O-CG1 3.4Å; F57-Y195 AromaticContact CE2-CE2 3.84Å; F57-Y195 HydrophobicContact CE2-CE2 3.84Å; F57-Y195 AromaticContact CE2-CZ 3.96Å; F57-Y195 HydrophobicContact CZ-CD2 4.44Å; F57-Y195 AromaticContact CZ-CE2 3.87Å; F57-Y195 HydrophobicContact CZ-CE2 3.87Å
58	V	98.4	Very high	97.6	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	148.3	179.7	65.2	0	0	0	0	111.9	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG1 4.02Å; V49-V58 WeakPolarHBondContact CA-O 3.29Å; G50-V58 PolarHBondContact N-O 2.78Å; G50-V58 PolarHBondContact O-N 2.92Å; Q56-V58 PolarHBondContact NE2-O 3.28Å; V58-E70 WeakPolarHBondContact CA-O 3.44Å; V58-W84 HydrophobicContact CG2-CZ3 4.06Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.49Å; V58-Y91 HydrophobicContact CG2-CE2 4.24Å
59	R	98.4	Very high	97.5	Very high	87 Å²	87	42.3 Å²	42.3	33%	0.328	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	147.5	170.5	179.5	173.2	169.7	172.1	-2.4	110.9	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.54Å; A48-R59 VanDerWaalsContact O-CA 3.31Å; A48-R59 WeakPolarHBondContact O-CA 3.46Å; V49-R59 HydrophobicContact CG1-CG 4.32Å; R59-D61 IonicContact NH2-OD2 3.99Å; R59-D61 PolarHBondContact NH2-OD2 2.99Å; R59-E70 PolarHBondContact N-O 3.4Å; R59-E70 PolarHBondContact O-N 3.07Å; R59-R72 HydrophobicContact CB-CG 3.91Å
60	F	98.8	Very high	97.4	Very high	3 Å²	3	44.3 Å²	44.3	1%	0.013	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	140.9	165.2	176.3	-83.1	0	0	0	108.9	F46 I47 A48 P67 R68 T88 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.71Å; F46-F60 HydrophobicContact CD1-CD1 3.71Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.91Å; F46-F60 HydrophobicContact CE1-CD1 3.91Å; F46-F60 HydrophobicContact CE1-CE1 4.26Å; I47-F60 WeakPolarHBondContact CA-O 3.47Å; A48-F60 HydrophobicContact CB-CB 4.25Å; A48-F60 PolarHBondContact N-O 2.78Å; A48-F60 PolarHBondContact O-N 2.86Å; F60-P67 HydrophobicContact CE2-CB 3.87Å; F60-P67 HydrophobicContact CZ-CB 3.66Å; F60-R68 WeakPolarHBondContact CD2-O 3.33Å; F60-T88 HydrophobicContact CE2-CG2 4.5Å; F60-Y91 HydrophobicContact CB-CD1 4.36Å; F60-Y91 HydrophobicContact CB-CD2 3.63Å; F60-Y91 HydrophobicContact CB-CE2 4.08Å; F60-Y91 HydrophobicContact CB-CG 3.8Å; F60-Y91 HydrophobicContact CD1-CG 4.37Å; F60-Y91 AromaticContact CD2-CD2 3.75Å; F60-Y91 HydrophobicContact CD2-CD2 3.75Å; F60-Y91 AromaticContact CD2-CG 3.99Å; F60-Y91 HydrophobicContact CD2-CG 3.99Å; F60-Y91 AromaticContact CG-CD2 3.84Å; F60-Y91 HydrophobicContact CG-CD2 3.84Å; F60-Y91 AromaticContact CG-CG 3.8Å; F60-Y91 HydrophobicContact CG-CG 3.8Å; F60-K92 HydrophobicContact CE2-CG 4.29Å; F60-K92 HydrophobicContact CZ-CG 4.05Å
61	D	98.6	Very high	97.4	Very high	15 Å²	15	46.6 Å²	46.6	8%	0.08	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	120.4	176.5	-163.3	-26.4	0	0	0	109.4	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.06Å; R45-D61 IonicContact CZ-OD2 3.22Å; R45-D61 IonicContact NE-OD1 3.36Å; R45-D61 PolarHBondContact NE-OD1 3.01Å; R45-D61 IonicContact NE-OD2 2.75Å; R45-D61 IonicContact NH2-OD1 2.61Å; R45-D61 PolarHBondContact NH2-OD1 3.38Å; R45-D61 IonicContact NH2-OD2 3.63Å; R45-D61 PolarHBondContact NH2-OD2 2.98Å; R59-D61 IonicContact NH2-OD2 3.99Å; R59-D61 PolarHBondContact NH2-OD2 2.99Å; D61-D63 PolarHBondContact O-N 3.5Å; D61-D63 PolarHBondContact OD1-N 3.28Å; D61-A64 HydrophobicContact CB-CB 4.42Å; D61-A64 WeakPolarHBondContact O-CB 3.23Å; D61-A64 PolarHBondContact O-N 3.44Å
62	S	98.1	Very high	97.3	Very high	34 Å²	34	48.8 Å²	48.8	24%	0.238	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-22.2	-179.1	67.3	0	0	0	0	113.4	F46 P67	F46-S62 PolarHBondContact N-OG 3.02Å; F46-S62 PolarHBondContact O-N 3.34Å; F46-S62 PolarHBondContact O-OG 2.99Å; S62-P67 WeakPolarHBondContact O-CG 3.16Å
63	D	97.2	Very high	97.2	Very high	68 Å²	68	49 Å²	49	36%	0.364	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-2.3	-179.6	-77.7	5.3	0	0	0	112.7	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.11Å; R38-D63 IonicContact CZ-OD2 2.8Å; R38-D63 IonicContact NH1-OD1 3.46Å; R38-D63 PolarHBondContact NH1-OD1 3.13Å; R38-D63 IonicContact NH1-OD2 3.11Å; R38-D63 PolarHBondContact NH1-OD2 3.31Å; R38-D63 IonicContact NH2-OD1 2.73Å; R38-D63 PolarHBondContact NH2-OD1 3.07Å; R38-D63 IonicContact NH2-OD2 3.67Å; R45-D63 VanDerWaalsContact CD-OD2 3.29Å; R45-D63 WeakPolarHBondContact CD-OD2 3.04Å; R45-D63 HydrophobicContact CG-CB 4.41Å; R45-D63 IonicContact NE-OD2 3.19Å; D61-D63 PolarHBondContact O-N 3.5Å; D61-D63 PolarHBondContact OD1-N 3.28Å
64	A	96.9	Very high	97.3	Very high	32 Å²	32	52.5 Å²	52.5	26%	0.264	29%	0.293	S	S	.	.	S	Bend	trans	-62.3	149.5	172.6	0	0	0	0	0	110.9	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.42Å; D61-A64 WeakPolarHBondContact O-CB 3.23Å; D61-A64 PolarHBondContact O-N 3.44Å; A64-S66 PolarHBondContact O-N 2.96Å; A64-P67 WeakPolarHBondContact O-CD 3.4Å; A64-P67 VanDerWaalsContact O-CG 3.28Å; A64-P67 WeakPolarHBondContact O-CG 3.35Å
65	A	96.3	Very high	97.3	Very high	117 Å²	117	50.2 Å²	50.2	97%	0.967	28%	0.279	S	S	*	.	S	Bend	trans	-58.2	-33.3	-179.7	0	0	0	0	0	113
66	S	95.4	Very high	97.3	Very high	69 Å²	69	48.9 Å²	48.9	48%	0.483	27%	0.271	S	S	.	.	S	Bend	trans	-132.5	88.4	170.7	166.8	0	0	0	0	109.3	A64 R68	A64-S66 PolarHBondContact O-N 2.96Å; S66-R68 PolarHBondContact O-N 3.06Å; S66-R68 PolarHBondContact OG-NE 3.34Å
67	P	96.7	Very high	97.2	Very high	33 Å²	33	52 Å²	52	21%	0.214	29%	0.286	C	S	.	.			trans	-61.9	111	-175.3	-24.2	35.2	0	0	0	112.2	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.87Å; F60-P67 HydrophobicContact CZ-CB 3.66Å; S62-P67 WeakPolarHBondContact O-CG 3.16Å; A64-P67 WeakPolarHBondContact O-CD 3.4Å; A64-P67 VanDerWaalsContact O-CG 3.28Å; A64-P67 WeakPolarHBondContact O-CG 3.35Å; P67-K92 WeakPolarHBondContact O-CE 3.32Å; P67-K92 PolarHBondContact O-NZ 2.96Å
68	R	97.6	Very high	97	Very high	148 Å²	148	58 Å²	58	56%	0.558	31%	0.313	S	S	*	.			trans	-143.8	158.5	178.5	-64.4	-173.5	-177.2	-164.4	-2.7	109.8	F60 S66 T88	F60-R68 WeakPolarHBondContact CD2-O 3.33Å; S66-R68 PolarHBondContact O-N 3.06Å; S66-R68 PolarHBondContact OG-NE 3.34Å; R68-T88 HydrophobicContact CB-CG2 4.35Å; R68-T88 HydrophobicContact CG-CG2 4.24Å
69	G	97.1	Very high	96.9	Very high	8 Å²	8	58.4 Å²	58.4	8%	0.082	32%	0.316	C	S	.	.			trans	-67.1	128.4	168.4	0	0	0	0	0	109.4	T88	G69-T88 PolarHBondContact N-OG1 2.86Å
70	E	97.5	Very high	96.7	Very high	70 Å²	70	55.6 Å²	55.6	33%	0.327	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133.7	-177.5	-65.1	173.9	166.4	0	0	109.9	V58 R59 R72	V58-E70 WeakPolarHBondContact CA-O 3.44Å; R59-E70 PolarHBondContact N-O 3.4Å; R59-E70 PolarHBondContact O-N 3.07Å; E70-R72 IonicContact OE2-CZ 3.9Å; E70-R72 IonicContact OE2-NH2 3.5Å; E70-R72 PolarHBondContact OE2-NH2 3.44Å
71	P	97.9	Very high	96.6	Very high	49 Å²	49	59.5 Å²	59.5	32%	0.318	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	143.8	172.6	28.5	-33.9	0	0	0	110.7	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.78Å; P71-E77 HydrophobicContact CB-CG 3.72Å; P71-E77 HydrophobicContact CG-CG 3.97Å; P71-W84 HydrophobicContact CB-CH2 3.66Å; P71-W84 HydrophobicContact CB-CZ2 3.8Å; P71-W84 HydrophobicContact CG-CH2 4.3Å; P71-W84 HydrophobicContact CG-CZ2 4.26Å
72	R	97.4	Very high	96.6	Very high	116 Å²	116	65.3 Å²	65.3	44%	0.438	37%	0.366	S	S	.	.			trans	-126.3	0.3	174.6	-60.8	-64.6	172.8	177.3	-2.3	113.1	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.11Å; Q56-R72 HydrophobicContact CG-CG 4.37Å; Q56-R72 CarbonylContact O-C 3.59Å; F57-R72 PolarHBondContact O-N 3.29Å; R59-R72 HydrophobicContact CB-CG 3.91Å; E70-R72 IonicContact OE2-CZ 3.9Å; E70-R72 IonicContact OE2-NH2 3.5Å; E70-R72 PolarHBondContact OE2-NH2 3.44Å
73	A	96	Very high	96.5	Very high	5 Å²	5	64 Å²	64	4%	0.041	36%	0.356	C	S	.	.	S	Bend	trans	-138.6	142.8	173.5	0	0	0	0	0	111	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.45Å; F57-A73 HydrophobicContact CB-CB 4.09Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.13Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 3.94Å; A73-W75 PolarHBondContact O-N 3.43Å; A73-V76 VanDerWaalsContact O-CG1 3.28Å; A73-V76 WeakPolarHBondContact O-CG1 3.48Å; A73-V76 PolarHBondContact O-N 2.97Å
74	P	96	Very high	96.5	Very high	101 Å²	101	62.5 Å²	62.5	66%	0.656	35%	0.345	S	S	*	.	H	α-helix	trans	-58.5	-35.3	-177.4	-26.9	34.9	0	0	0	114.2	V76 E77	P74-V76 PolarHBondContact O-N 2.99Å; P74-E77 WeakPolarHBondContact O-CB 3.4Å; P74-E77 PolarHBondContact O-N 3.04Å
75	W	95.7	Very high	96.6	Very high	15 Å²	15	65.5 Å²	65.5	6%	0.057	36%	0.357	C	S	.	.	H	α-helix	trans	-71.7	-12.7	-176.3	53.1	-107.2	0	0	0	114.4	V52 T55 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.38Å; V52-W75 HydrophobicContact CB-CZ2 4.47Å; V52-W75 HydrophobicContact CG2-CH2 3.88Å; V52-W75 HydrophobicContact CG2-CZ2 4.44Å; T55-W75 HydrophobicContact CG2-CZ2 4.5Å; F57-W75 HydrophobicContact CB-CH2 3.12Å; F57-W75 HydrophobicContact CB-CZ2 3.4Å; F57-W75 HydrophobicContact CB-CZ3 3.9Å; F57-W75 AromaticContact CD1-CH2 3.97Å; F57-W75 HydrophobicContact CD1-CH2 3.97Å; F57-W75 AromaticContact CD2-CH2 3.99Å; F57-W75 HydrophobicContact CD2-CH2 3.99Å; F57-W75 HydrophobicContact CD2-CZ3 4.22Å; F57-W75 AromaticContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CH2 3.45Å; F57-W75 VanDerWaalsContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CZ2 4.18Å; F57-W75 HydrophobicContact CG-CZ3 4.13Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.13Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 3.94Å; A73-W75 PolarHBondContact O-N 3.43Å; W75-Q78 WeakPolarHBondContact O-CG 3.39Å; W75-Y195 HydrophobicContact CE3-CD1 4.24Å; W75-Y195 HydrophobicContact CH2-CG 4.17Å; W75-Y195 AromaticContact CZ3-CD1 3.59Å; W75-Y195 HydrophobicContact CZ3-CD1 3.59Å; W75-Y195 HydrophobicContact CZ3-CD2 4.35Å; W75-Y195 HydrophobicContact CZ3-CE1 4.31Å; W75-Y195 AromaticContact CZ3-CG 3.61Å; W75-Y195 HydrophobicContact CZ3-CG 3.61Å; W75-N198 HydrophobicContact CB-CB 4.43Å; W75-L203 HydrophobicContact CD2-CD1 4.44Å; W75-L203 HydrophobicContact CH2-CD1 4.39Å; W75-L203 HydrophobicContact CZ2-CD1 3.87Å; W75-L203 HydrophobicContact CZ2-CD2 4.09Å; W75-L203 HydrophobicContact CZ2-CG 4.39Å
76	V	97	Very high	96.6	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-95.9	-15.3	172.7	76.2	0	0	0	0	112.3	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.39Å; F57-V76 HydrophobicContact CD2-CB 4.45Å; F57-V76 HydrophobicContact CD2-CG1 4.49Å; F57-V76 HydrophobicContact CD2-CG2 4.13Å; F57-V76 VanDerWaalsContact O-CG1 3.27Å; F57-V76 WeakPolarHBondContact O-CG1 3.4Å; P71-V76 HydrophobicContact CB-CG1 3.78Å; A73-V76 VanDerWaalsContact O-CG1 3.28Å; A73-V76 WeakPolarHBondContact O-CG1 3.48Å; A73-V76 PolarHBondContact O-N 2.97Å; P74-V76 PolarHBondContact O-N 2.99Å; V76-Q78 PolarHBondContact O-N 3.05Å; V76-E79 HydrophobicContact CG2-CG 3.86Å; V76-E79 WeakPolarHBondContact O-CB 3.3Å; V76-E79 WeakPolarHBondContact O-CG 3.39Å; V76-E79 PolarHBondContact O-N 3.33Å; V76-Y83 HydrophobicContact CG2-CE1 4.19Å; V76-W84 HydrophobicContact CG1-CH2 3.98Å; V76-W84 HydrophobicContact CG1-CZ2 4.18Å; V76-W84 HydrophobicContact CG2-CH2 4.06Å; V76-W84 HydrophobicContact CG2-CZ2 4.09Å; V76-W84 WeakPolarHBondContact O-CZ2 3.39Å; V76-Y195 HydrophobicContact CG2-CE1 4.25Å
77	E	95.3	Very high	96.7	Very high	123 Å²	123	62 Å²	62	58%	0.575	31%	0.309	S	S	*	.	H	α-helix	trans	-63.3	-25.9	179.3	-66.3	179.1	-175.5	0	0	112.8	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.72Å; P71-E77 HydrophobicContact CG-CG 3.97Å; P74-E77 WeakPolarHBondContact O-CB 3.4Å; P74-E77 PolarHBondContact O-N 3.04Å; E77-E79 PolarHBondContact O-N 3.35Å
78	Q	94.2	Very high	96.8	Very high	124 Å²	124	60.8 Å²	60.8	58%	0.579	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-10.3	175.6	67.2	179.6	14.1	0	0	114.1	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.39Å; V76-Q78 PolarHBondContact O-N 3.05Å; Q78-N198 VanDerWaalsContact NE2-CB 3.27Å; Q78-N198 PolarHBondContact NE2-ND2 3.46Å; Q78-N198 PolarHBondContact NE2-OD1 2.94Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.13Å
79	E	96.3	Very high	96.8	Very high	10 Å²	10	58.8 Å²	58.8	5%	0.047	30%	0.297	C	S	.	.	S	Bend	trans	-67	135.5	174.4	-65.3	-62.7	160.6	0	0	110.7	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.86Å; V76-E79 WeakPolarHBondContact O-CB 3.3Å; V76-E79 WeakPolarHBondContact O-CG 3.39Å; V76-E79 PolarHBondContact O-N 3.33Å; E77-E79 PolarHBondContact O-N 3.35Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CD2 4.47Å; E79-Y83 HydrophobicContact CB-CE1 4.12Å; E79-Y83 HydrophobicContact CB-CG 3.74Å; E79-Y83 HydrophobicContact CG-CD1 4.07Å; E79-Y83 HydrophobicContact CG-CD2 4.45Å; E79-Y83 HydrophobicContact CG-CE1 4.26Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; E79-W84 PolarHBondContact O-NE1 3.26Å; E79-W84 VanDerWaalsContact O-NE1 3.08Å; E79-R194 IonicContact OE1-CZ 2.72Å; E79-R194 IonicContact OE1-NE 2.65Å; E79-R194 PolarHBondContact OE1-NE 3.16Å; E79-R194 IonicContact OE1-NH2 3.29Å; E79-R194 PolarHBondContact OE1-NH2 3.41Å; E79-R194 IonicContact OE2-CZ 3.54Å; E79-R194 IonicContact OE2-NE 3.63Å; E79-R194 IonicContact OE2-NH2 3.39Å; E79-R194 PolarHBondContact OE2-NH2 3.31Å; E79-N198 PolarHBondContact OE1-ND2 3.48Å
80	G	95.4	Very high	96.9	Very high	28 Å²	28	61.4 Å²	61.4	29%	0.289	31%	0.306	S	S	.	.			trans	-68.3	168.3	-174.9	0	0	0	0	0	114.4	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.95Å; G80-Y83 WeakPolarHBondContact O-CB 3.47Å; G80-Y83 PolarHBondContact O-N 3.27Å; G80-W84 PolarHBondContact O-N 2.86Å
81	P	96.5	Very high	96.9	Very high	85 Å²	85	58.1 Å²	58.1	55%	0.552	29%	0.291	S	S	*	.	H	α-helix	trans	-57.6	-33.4	-179.5	24	-33.1	0	0	0	112.9	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.92Å; P81-W84 PolarHBondContact O-N 2.8Å; P81-D85 WeakPolarHBondContact O-CB 3.37Å; P81-D85 PolarHBondContact O-N 2.99Å
82	E	97.2	Very high	96.9	Very high	136 Å²	136	59.8 Å²	59.8	64%	0.636	29%	0.293	S	S	*	.	H	α-helix	trans	-63.4	-33.4	178.8	-57.9	79.8	-174.4	0	0	112.3	G80 R86	G80-E82 PolarHBondContact O-N 2.95Å; E82-R86 WeakPolarHBondContact O-CB 3.42Å; E82-R86 PolarHBondContact O-N 2.81Å; E82-R86 VanDerWaalsContact O-N 3.08Å
83	Y	97.3	Very high	97	Very high	7 Å²	7	61.9 Å²	61.9	3%	0.027	30%	0.301	C	S	.	.	H	α-helix	trans	-65.2	-52.3	174	168.8	-91.8	0	0	0	110.1	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.19Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CD2 4.47Å; E79-Y83 HydrophobicContact CB-CE1 4.12Å; E79-Y83 HydrophobicContact CB-CG 3.74Å; E79-Y83 HydrophobicContact CG-CD1 4.07Å; E79-Y83 HydrophobicContact CG-CD2 4.45Å; E79-Y83 HydrophobicContact CG-CE1 4.26Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; G80-Y83 WeakPolarHBondContact O-CB 3.47Å; G80-Y83 PolarHBondContact O-N 3.27Å; P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.92Å; Y83-D85 PolarHBondContact O-N 2.8Å; Y83-R86 PolarHBondContact O-N 2.95Å; Y83-E87 HydrophobicContact CD1-CG 4.41Å; Y83-E87 HydrophobicContact CD2-CG 4.18Å; Y83-E87 HydrophobicContact CE1-CG 4.02Å; Y83-E87 HydrophobicContact CE2-CG 3.75Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CG 3.32Å; Y83-E87 PolarHBondContact O-N 3.4Å; Y83-W191 AromaticContact CD2-CH2 3.45Å; Y83-W191 HydrophobicContact CD2-CH2 3.45Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.45Å; Y83-W191 HydrophobicContact CD2-CZ2 4.18Å; Y83-W191 AromaticContact CD2-CZ3 3.74Å; Y83-W191 HydrophobicContact CD2-CZ3 3.74Å; Y83-W191 HydrophobicContact CE2-CE3 4.2Å; Y83-W191 AromaticContact CE2-CH2 3.78Å; Y83-W191 HydrophobicContact CE2-CH2 3.78Å; Y83-W191 HydrophobicContact CE2-CZ2 4.41Å; Y83-W191 AromaticContact CE2-CZ3 3.64Å; Y83-W191 HydrophobicContact CE2-CZ3 3.64Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.27Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.29Å; Y83-Y195 PolarHBondContact OH-OH 3.36Å
84	W	97.8	Very high	97.1	Very high	37 Å²	37	63.1 Å²	63.1	14%	0.14	31%	0.306	C	S	.	.	H	α-helix	trans	-64.5	-38.9	-177.2	-67.4	111.6	0	0	0	112.9	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 4.06Å; P71-W84 HydrophobicContact CB-CH2 3.66Å; P71-W84 HydrophobicContact CB-CZ2 3.8Å; P71-W84 HydrophobicContact CG-CH2 4.3Å; P71-W84 HydrophobicContact CG-CZ2 4.26Å; V76-W84 HydrophobicContact CG1-CH2 3.98Å; V76-W84 HydrophobicContact CG1-CZ2 4.18Å; V76-W84 HydrophobicContact CG2-CH2 4.06Å; V76-W84 HydrophobicContact CG2-CZ2 4.09Å; V76-W84 WeakPolarHBondContact O-CZ2 3.39Å; E79-W84 PolarHBondContact O-NE1 3.26Å; E79-W84 VanDerWaalsContact O-NE1 3.08Å; G80-W84 PolarHBondContact O-N 2.86Å; P81-W84 PolarHBondContact O-N 2.8Å; W84-T88 WeakPolarHBondContact O-CB 3.43Å; W84-T88 PolarHBondContact O-N 3.42Å; W84-T88 PolarHBondContact O-OG1 3.11Å
85	D	97.9	Very high	97.2	Very high	95 Å²	95	59.1 Å²	59.1	51%	0.508	28%	0.282	S	S	.	.	H	α-helix	trans	-64.3	-46.5	174.6	-77.2	-20.7	0	0	0	110.9	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.37Å; P81-D85 PolarHBondContact O-N 2.99Å; Y83-D85 PolarHBondContact O-N 2.8Å; D85-T88 PolarHBondContact O-N 2.75Å; D85-Q89 VanDerWaalsContact O-CG 3.3Å; D85-Q89 WeakPolarHBondContact O-CG 3.43Å; D85-Q89 PolarHBondContact O-N 3Å
86	R	97.3	Very high	97.3	Very high	105 Å²	105	63.4 Å²	63.4	40%	0.396	30%	0.302	S	S	.	.	H	α-helix	trans	-62.4	-47	178.3	-176.6	-178.5	65	-140.5	-5.8	112.2	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.42Å; E82-R86 PolarHBondContact O-N 2.81Å; E82-R86 VanDerWaalsContact O-N 3.08Å; Y83-R86 PolarHBondContact O-N 2.95Å; R86-Q89 PolarHBondContact O-N 2.94Å; R86-K90 WeakPolarHBondContact O-CG 3.28Å; R86-K90 PolarHBondContact O-N 2.96Å
87	E	97.4	Very high	97.4	Very high	8 Å²	8	67 Å²	67	4%	0.037	32%	0.324	C	S	.	.	H	α-helix	trans	-65.8	-41.4	178.7	-65	-42.9	118.2	0	0	111.2	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.41Å; Y83-E87 HydrophobicContact CD2-CG 4.18Å; Y83-E87 HydrophobicContact CE1-CG 4.02Å; Y83-E87 HydrophobicContact CE2-CG 3.75Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CG 3.32Å; Y83-E87 PolarHBondContact O-N 3.4Å; E87-Q89 VanDerWaalsContact C-N 3.33Å; E87-Q89 PolarHBondContact O-N 2.89Å; E87-K90 WeakPolarHBondContact O-CB 3.5Å; E87-K90 PolarHBondContact O-N 2.86Å; E87-K90 VanDerWaalsContact O-N 3.12Å; E87-K90 IonicContact OE1-NZ 3.91Å; E87-K90 PolarHBondContact OE1-NZ 3.33Å; E87-K90 WeakPolarHBondContact OE2-CD 3.46Å; E87-K90 IonicContact OE2-NZ 3.53Å; E87-K90 PolarHBondContact OE2-NZ 3.49Å; E87-Y91 HydrophobicContact CB-CE2 4.03Å; E87-Y91 WeakPolarHBondContact O-CD2 3.48Å; E87-Y91 PolarHBondContact O-N 2.84Å
88	T	98.3	Very high	97.5	Very high	7 Å²	7	61.2 Å²	61.2	4%	0.043	30%	0.297	C	S	.	.	H	α-helix	trans	-56.6	-45.8	173.4	-64.7	0	0	0	0	111.9	F60 R68 G69 W84 D85 K90 Y91 K92	F60-T88 HydrophobicContact CE2-CG2 4.5Å; R68-T88 HydrophobicContact CB-CG2 4.35Å; R68-T88 HydrophobicContact CG-CG2 4.24Å; G69-T88 PolarHBondContact N-OG1 2.86Å; W84-T88 WeakPolarHBondContact O-CB 3.43Å; W84-T88 PolarHBondContact O-N 3.42Å; W84-T88 PolarHBondContact O-OG1 3.11Å; D85-T88 PolarHBondContact O-N 2.75Å; T88-K90 VanDerWaalsContact C-N 3.34Å; T88-K90 PolarHBondContact O-N 2.92Å; T88-Y91 PolarHBondContact O-N 3Å; T88-K92 HydrophobicContact CG2-CD 4.2Å; T88-K92 WeakPolarHBondContact O-CG 3.36Å; T88-K92 PolarHBondContact O-N 3.36Å
89	Q	98.3	Very high	97.7	Very high	105 Å²	105	59 Å²	59	49%	0.491	28%	0.284	S	S	.	.	H	α-helix	trans	-67.2	-34.2	177.8	-67.7	-59.1	-25.6	0	0	112.6	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.3Å; D85-Q89 WeakPolarHBondContact O-CG 3.43Å; D85-Q89 PolarHBondContact O-N 3Å; R86-Q89 PolarHBondContact O-N 2.94Å; E87-Q89 VanDerWaalsContact C-N 3.33Å; E87-Q89 PolarHBondContact O-N 2.89Å; Q89-R93 WeakPolarHBondContact O-CB 3.35Å; Q89-R93 WeakPolarHBondContact O-CG 3.46Å; Q89-R93 PolarHBondContact O-N 3.43Å
90	K	97.4	Very high	97.8	Very high	64 Å²	64	62 Å²	62	28%	0.278	30%	0.303	S	S	.	.	H	α-helix	trans	-62.3	-48.1	172.3	-73.7	171.4	178.5	173.4	0	111.2	R86 E87 T88 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.28Å; R86-K90 PolarHBondContact O-N 2.96Å; E87-K90 WeakPolarHBondContact O-CB 3.5Å; E87-K90 PolarHBondContact O-N 2.86Å; E87-K90 VanDerWaalsContact O-N 3.12Å; E87-K90 IonicContact OE1-NZ 3.91Å; E87-K90 PolarHBondContact OE1-NZ 3.33Å; E87-K90 WeakPolarHBondContact OE2-CD 3.46Å; E87-K90 IonicContact OE2-NZ 3.53Å; E87-K90 PolarHBondContact OE2-NZ 3.49Å; T88-K90 VanDerWaalsContact C-N 3.34Å; T88-K90 PolarHBondContact O-N 2.92Å; K90-K92 PolarHBondContact O-N 3.43Å; K90-R93 PolarHBondContact O-N 2.87Å; K90-Q94 WeakPolarHBondContact O-CB 3.31Å; K90-Q94 PolarHBondContact O-N 3.41Å
91	Y	98.5	Very high	97.9	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61	-43.6	177.7	-63.4	-49.9	0	0	0	112.3	Y33 F46 A48 V58 F60 E87 T88 R93 Q94 A95	Y33-Y91 HydrophobicContact CE1-CD1 4.28Å; Y33-Y91 AromaticContact CE1-CE1 3.87Å; Y33-Y91 HydrophobicContact CE1-CE1 3.87Å; Y33-Y91 AromaticContact CZ-CE1 3.96Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.39Å; F46-Y91 HydrophobicContact CE1-CD1 4.38Å; A48-Y91 HydrophobicContact CB-CD1 3.65Å; A48-Y91 HydrophobicContact CB-CE1 3.64Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.49Å; V58-Y91 HydrophobicContact CG2-CE2 4.24Å; F60-Y91 HydrophobicContact CB-CD1 4.36Å; F60-Y91 HydrophobicContact CB-CD2 3.63Å; F60-Y91 HydrophobicContact CB-CE2 4.08Å; F60-Y91 HydrophobicContact CB-CG 3.8Å; F60-Y91 HydrophobicContact CD1-CG 4.37Å; F60-Y91 AromaticContact CD2-CD2 3.75Å; F60-Y91 HydrophobicContact CD2-CD2 3.75Å; F60-Y91 AromaticContact CD2-CG 3.99Å; F60-Y91 HydrophobicContact CD2-CG 3.99Å; F60-Y91 AromaticContact CG-CD2 3.84Å; F60-Y91 HydrophobicContact CG-CD2 3.84Å; F60-Y91 AromaticContact CG-CG 3.8Å; F60-Y91 HydrophobicContact CG-CG 3.8Å; E87-Y91 HydrophobicContact CB-CE2 4.03Å; E87-Y91 WeakPolarHBondContact O-CD2 3.48Å; E87-Y91 PolarHBondContact O-N 2.84Å; T88-Y91 PolarHBondContact O-N 3Å; Y91-R93 PolarHBondContact O-N 3.4Å; Y91-Q94 PolarHBondContact O-N 2.94Å; Y91-A95 WeakPolarHBondContact O-CB 3.45Å; Y91-A95 PolarHBondContact O-N 3.33Å
92	K	98.4	Very high	98	Very high	84 Å²	84	58.7 Å²	58.7	37%	0.365	28%	0.277	S	S	.	.	H	α-helix	trans	-61.8	-42.3	176.6	-73.3	179.9	179	-179.2	0	112.6	F60 P67 T88 K90 A95 Q96	F60-K92 HydrophobicContact CE2-CG 4.29Å; F60-K92 HydrophobicContact CZ-CG 4.05Å; P67-K92 WeakPolarHBondContact O-CE 3.32Å; P67-K92 PolarHBondContact O-NZ 2.96Å; T88-K92 HydrophobicContact CG2-CD 4.2Å; T88-K92 WeakPolarHBondContact O-CG 3.36Å; T88-K92 PolarHBondContact O-N 3.36Å; K90-K92 PolarHBondContact O-N 3.43Å; K92-A95 PolarHBondContact O-N 2.95Å; K92-Q96 PolarHBondContact O-N 2.93Å
93	R	98.3	Very high	98	Very high	161 Å²	161	59 Å²	59	61%	0.608	27%	0.272	S	S	*	.	H	α-helix	trans	-64.7	-43.6	174.8	-75.2	-172.4	-65.3	-177.2	0.8	111.5	Q89 K90 Y91 A95 Q96 T97	Q89-R93 WeakPolarHBondContact O-CB 3.35Å; Q89-R93 WeakPolarHBondContact O-CG 3.46Å; Q89-R93 PolarHBondContact O-N 3.43Å; K90-R93 PolarHBondContact O-N 2.87Å; Y91-R93 PolarHBondContact O-N 3.4Å; R93-A95 PolarHBondContact O-N 3.46Å; R93-Q96 PolarHBondContact O-N 3.41Å; R93-T97 PolarHBondContact O-N 3.47Å; R93-T97 PolarHBondContact O-OG1 2.92Å
94	Q	98.4	Very high	98	Very high	30 Å²	30	62 Å²	62	14%	0.14	29%	0.288	C	S	.	.	H	α-helix	trans	-62.4	-42.2	177.5	-172.8	67.6	57	0	0	111.9	Y33 F46 K90 Y91 Q96 T97 D98	Y33-Q94 HydrophobicContact CD2-CG 3.62Å; Y33-Q94 HydrophobicContact CE2-CB 4.35Å; Y33-Q94 HydrophobicContact CE2-CG 3.65Å; F46-Q94 HydrophobicContact CE2-CB 4.33Å; F46-Q94 HydrophobicContact CE2-CG 3.79Å; F46-Q94 HydrophobicContact CZ-CB 4.01Å; F46-Q94 HydrophobicContact CZ-CG 3.81Å; K90-Q94 WeakPolarHBondContact O-CB 3.31Å; K90-Q94 PolarHBondContact O-N 3.41Å; Y91-Q94 PolarHBondContact O-N 2.94Å; Q94-Q96 VanDerWaalsContact C-N 3.26Å; Q94-Q96 PolarHBondContact O-N 3.29Å; Q94-T97 CarbonylContact O-C 3.56Å; Q94-T97 WeakPolarHBondContact O-CB 3.48Å; Q94-T97 PolarHBondContact O-N 3.39Å; Q94-D98 PolarHBondContact NE2-OD1 3.39Å; Q94-D98 PolarHBondContact O-N 2.92Å
95	A	98.4	Very high	98.1	Very high	18 Å²	18	60.5 Å²	60.5	15%	0.149	28%	0.283	C	S	.	.	H	α-helix	trans	-57.3	-39.2	176.3	0	0	0	0	0	112.2	F46 Y91 K92 R93 R99	F46-A95 HydrophobicContact CB-CB 3.69Å; F46-A95 HydrophobicContact CD1-CB 3.82Å; F46-A95 HydrophobicContact CD2-CB 4.16Å; F46-A95 HydrophobicContact CE1-CB 4.5Å; F46-A95 HydrophobicContact CG-CB 3.62Å; Y91-A95 WeakPolarHBondContact O-CB 3.45Å; Y91-A95 PolarHBondContact O-N 3.33Å; K92-A95 PolarHBondContact O-N 2.95Å; R93-A95 PolarHBondContact O-N 3.46Å; A95-R99 WeakPolarHBondContact O-CB 3.47Å; A95-R99 PolarHBondContact O-N 2.93Å
96	Q	98.1	Very high	98.1	Very high	104 Å²	104	58.8 Å²	58.8	49%	0.486	27%	0.27	S	S	.	.	H	α-helix	trans	-68.9	-41.2	174.2	-64.2	-55.8	-42	0	0	112.3	K92 R93 Q94 D98 R99 V100	K92-Q96 PolarHBondContact O-N 2.93Å; R93-Q96 PolarHBondContact O-N 3.41Å; Q94-Q96 VanDerWaalsContact C-N 3.26Å; Q94-Q96 PolarHBondContact O-N 3.29Å; Q96-D98 VanDerWaalsContact C-N 3.34Å; Q96-D98 PolarHBondContact O-N 2.9Å; Q96-R99 WeakPolarHBondContact O-CB 3.37Å; Q96-R99 PolarHBondContact O-N 3.36Å; Q96-V100 WeakPolarHBondContact O-CG2 3.18Å; Q96-V100 PolarHBondContact O-N 2.96Å; Q96-V100 VanDerWaalsContact O-N 3.12Å
97	T	98.2	Very high	98.1	Very high	75 Å²	75	55.9 Å²	55.9	46%	0.46	27%	0.272	S	S	.	.	H	α-helix	trans	-60.4	-43.7	174.4	-60.5	0	0	0	0	111.7	R93 Q94 V100 S101	R93-T97 PolarHBondContact O-N 3.47Å; R93-T97 PolarHBondContact O-OG1 2.92Å; Q94-T97 CarbonylContact O-C 3.56Å; Q94-T97 WeakPolarHBondContact O-CB 3.48Å; Q94-T97 PolarHBondContact O-N 3.39Å; T97-V100 PolarHBondContact O-N 3.15Å; T97-S101 WeakPolarHBondContact O-CB 3.46Å; T97-S101 PolarHBondContact O-N 2.94Å; T97-S101 PolarHBondContact O-OG 2.83Å
98	D	98.3	Very high	98.1	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-70.3	-35.6	-179.1	-72.7	1.1	0	0	0	111.6	A35 F46 Q94 Q96 V100 S101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.7Å; F46-D98 VanDerWaalsContact CE2-OD2 3.24Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.42Å; Q94-D98 PolarHBondContact NE2-OD1 3.39Å; Q94-D98 PolarHBondContact O-N 2.92Å; Q96-D98 VanDerWaalsContact C-N 3.34Å; Q96-D98 PolarHBondContact O-N 2.9Å; D98-V100 PolarHBondContact O-N 3.5Å; D98-S101 PolarHBondContact O-N 3.37Å; D98-L102 WeakPolarHBondContact O-CB 3.49Å; D98-L102 WeakPolarHBondContact O-CG 3.43Å; D98-L102 PolarHBondContact O-N 2.62Å; D98-L119 HydrophobicContact CB-CD2 4.17Å
99	R	98	Very high	98.1	Very high	76 Å²	76	61 Å²	61	29%	0.287	29%	0.291	S	S	.	.	H	α-helix	trans	-57.1	-47.4	170.3	176.2	-169.7	179.9	-164.5	5.2	112	E43 P44 A95 Q96 S101 R103	E43-R99 VanDerWaalsContact CD-NE 3.34Å; E43-R99 IonicContact OE1-CZ 2.68Å; E43-R99 VanDerWaalsContact OE1-CZ 3.22Å; E43-R99 IonicContact OE1-NE 3.52Å; E43-R99 IonicContact OE1-NH1 2.76Å; E43-R99 IonicContact OE1-NH2 3.23Å; E43-R99 PolarHBondContact OE1-NH2 3.23Å; E43-R99 VanDerWaalsContact OE2-CD 3.3Å; E43-R99 WeakPolarHBondContact OE2-CD 3.35Å; E43-R99 IonicContact OE2-CZ 2.71Å; E43-R99 IonicContact OE2-NE 3.69Å; E43-R99 PolarHBondContact OE2-NE 3.2Å; E43-R99 IonicContact OE2-NH2 3.65Å; E43-R99 PolarHBondContact OE2-NH2 2.94Å; P44-R99 HydrophobicContact CG-CB 4.38Å; P44-R99 HydrophobicContact CG-CG 4.18Å; A95-R99 WeakPolarHBondContact O-CB 3.47Å; A95-R99 PolarHBondContact O-N 2.93Å; Q96-R99 WeakPolarHBondContact O-CB 3.37Å; Q96-R99 PolarHBondContact O-N 3.36Å; R99-S101 VanDerWaalsContact C-N 3.33Å; R99-R103 PolarHBondContact O-N 3.06Å
100	V	98	Very high	98.1	Very high	75 Å²	75	63.3 Å²	63.3	46%	0.455	31%	0.307	S	S	.	.	H	α-helix	trans	-66.6	-39.7	176.8	174.9	0	0	0	0	110.5	Q96 T97 D98 R103 N104	Q96-V100 WeakPolarHBondContact O-CG2 3.18Å; Q96-V100 PolarHBondContact O-N 2.96Å; Q96-V100 VanDerWaalsContact O-N 3.12Å; T97-V100 PolarHBondContact O-N 3.15Å; D98-V100 PolarHBondContact O-N 3.5Å; V100-R103 WeakPolarHBondContact O-CB 3.43Å; V100-R103 PolarHBondContact O-N 2.88Å; V100-N104 PolarHBondContact O-N 2.97Å
101	S	98.3	Very high	98.1	Very high	35 Å²	35	63.1 Å²	63.1	25%	0.245	31%	0.307	C	S	.	.	H	α-helix	trans	-63.5	-44	179.2	-59.5	0	0	0	0	111.9	T97 D98 R99 R103 N104 L105	T97-S101 WeakPolarHBondContact O-CB 3.46Å; T97-S101 PolarHBondContact O-N 2.94Å; T97-S101 PolarHBondContact O-OG 2.83Å; D98-S101 PolarHBondContact O-N 3.37Å; R99-S101 VanDerWaalsContact C-N 3.33Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 3.24Å; S101-N104 PolarHBondContact O-N 2.75Å; S101-N104 VanDerWaalsContact O-N 3.15Å; S101-L105 WeakPolarHBondContact O-CB 3.21Å; S101-L105 WeakPolarHBondContact O-CD1 3.32Å; S101-L105 VanDerWaalsContact O-CG 3.22Å; S101-L105 WeakPolarHBondContact O-CG 3.18Å; S101-L105 PolarHBondContact O-N 3.36Å
102	L	98.5	Very high	97.9	Very high	8 Å²	8	67.1 Å²	67.1	4%	0.042	34%	0.335	C	S	.	.	H	α-helix	trans	-56.9	-41	173.8	-77.6	167.4	0	0	0	112.1	A35 P44 D98 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.9Å; P44-L102 HydrophobicContact CB-CD1 3.7Å; P44-L102 HydrophobicContact CG-CD1 3.87Å; D98-L102 WeakPolarHBondContact O-CB 3.49Å; D98-L102 WeakPolarHBondContact O-CG 3.43Å; D98-L102 PolarHBondContact O-N 2.62Å; L102-R106 WeakPolarHBondContact O-CB 3.29Å; L102-R106 PolarHBondContact O-N 2.92Å; L102-R106 VanDerWaalsContact O-N 3.07Å; L102-H117 HydrophobicContact CD2-CB 4.28Å; L102-L119 HydrophobicContact CD2-CB 3.65Å; L102-L119 HydrophobicContact CG-CB 4.07Å; L102-Y142 HydrophobicContact CD2-CE2 4.01Å
103	R	97.3	Very high	97.7	Very high	143 Å²	143	69.4 Å²	69.4	54%	0.54	35%	0.347	S	S	.	.	H	α-helix	trans	-65.6	-43.4	175.9	-172.8	-175.4	-63	167.3	0.7	111.9	R99 V100 S101 G107	R99-R103 PolarHBondContact O-N 3.06Å; V100-R103 WeakPolarHBondContact O-CB 3.43Å; V100-R103 PolarHBondContact O-N 2.88Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 3.24Å; R103-G107 PolarHBondContact O-N 3.19Å
104	N	97.9	Very high	97.5	Very high	69 Å²	69	65.6 Å²	65.6	37%	0.369	35%	0.35	S	S	.	.	H	α-helix	trans	-65.1	-46.5	178.8	-69.2	-19.9	0	0	0	111.5	V100 S101 G107 Y108	V100-N104 PolarHBondContact O-N 2.97Å; S101-N104 PolarHBondContact O-N 2.75Å; S101-N104 VanDerWaalsContact O-N 3.15Å; N104-G107 CarbonylContact O-C 3.57Å; N104-G107 WeakPolarHBondContact O-CA 3.33Å; N104-G107 PolarHBondContact O-N 3.25Å; N104-G107 VanDerWaalsContact O-N 3.1Å; N104-Y108 HydrophobicContact CB-CE2 4.47Å; N104-Y108 WeakPolarHBondContact O-CD1 3.31Å; N104-Y108 VanDerWaalsContact O-CG 3.31Å; N104-Y108 PolarHBondContact O-N 3.23Å
105	L	98.4	Very high	97.3	Very high	6 Å²	6	65.3 Å²	65.3	3%	0.031	36%	0.355	C	S	.	.	H	α-helix	trans	-59.3	-49	179.1	-71.8	163.7	0	0	0	111	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.21Å; S101-L105 WeakPolarHBondContact O-CD1 3.32Å; S101-L105 VanDerWaalsContact O-CG 3.22Å; S101-L105 WeakPolarHBondContact O-CG 3.18Å; S101-L105 PolarHBondContact O-N 3.36Å; L105-G107 PolarHBondContact O-N 3.07Å; L105-Y108 PolarHBondContact O-N 3.46Å; L105-Y109 HydrophobicContact CD2-CE2 4.23Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.26Å; L105-Y109 PolarHBondContact O-N 3.25Å; L105-L119 HydrophobicContact CD1-CD1 3.82Å; L105-L119 HydrophobicContact CD1-CD2 4.22Å; L105-L119 HydrophobicContact CD1-CG 4.46Å; L105-Y142 HydrophobicContact CB-CD1 4.33Å; L105-Y142 HydrophobicContact CB-CD2 4.21Å; L105-Y142 HydrophobicContact CB-CE1 3.95Å; L105-Y142 HydrophobicContact CB-CE2 3.85Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.63Å; L105-Y142 HydrophobicContact CD1-CE2 3.94Å; L105-Y142 HydrophobicContact CD1-CG 4.07Å; L105-Y142 HydrophobicContact CD2-CG 4.45Å; L105-Y142 HydrophobicContact CG-CD2 4.4Å; L105-Y142 HydrophobicContact CG-CE2 4.48Å; L105-Y147 HydrophobicContact CD2-CD1 4.34Å; L105-Y147 HydrophobicContact CD2-CD2 3.98Å; L105-Y147 HydrophobicContact CD2-CE1 3.81Å; L105-Y147 HydrophobicContact CD2-CE2 3.37Å; L105-Y147 HydrophobicContact CD2-CG 4.43Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.37Å
106	R	97.6	Very high	97.2	Very high	59 Å²	59	68.2 Å²	68.2	22%	0.223	37%	0.374	C	S	.	.	H	α-helix	trans	-52.4	-42	174	-173.3	-171.3	65.9	178.7	9.7	112.1	L102 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.29Å; L102-R106 PolarHBondContact O-N 2.92Å; L102-R106 VanDerWaalsContact O-N 3.07Å; R106-N110 PolarHBondContact O-N 3.3Å; R106-N110 VanDerWaalsContact O-N 3.14Å; R106-Q111 HydrophobicContact CG-CB 3.8Å; R106-Q111 WeakPolarHBondContact CG-O 3.4Å; R106-Q111 PolarHBondContact O-N 2.88Å; R106-E113 IonicContact CZ-OE1 2.76Å; R106-E113 IonicContact NH1-OE1 3.91Å; R106-E113 PolarHBondContact NH1-OE1 2.73Å; R106-E113 IonicContact NH2-OE1 3.77Å; R106-E113 PolarHBondContact NH2-OE1 2.8Å
107	G	97.7	Very high	97.2	Very high	44 Å²	44	64 Å²	64	45%	0.454	35%	0.354	S	S	.	.	H	α-helix	trans	-66	-46	175.2	0	0	0	0	0	113.3	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.19Å; N104-G107 CarbonylContact O-C 3.57Å; N104-G107 WeakPolarHBondContact O-CA 3.33Å; N104-G107 PolarHBondContact O-N 3.25Å; N104-G107 VanDerWaalsContact O-N 3.1Å; L105-G107 PolarHBondContact O-N 3.07Å; G107-Y109 PolarHBondContact O-N 3.45Å; G107-N110 PolarHBondContact O-N 3.28Å; G107-N110 VanDerWaalsContact O-N 3.13Å; G107-N110 PolarHBondContact O-OD1 2.91Å
108	Y	98.3	Very high	97.3	Very high	55 Å²	55	62.2 Å²	62.2	22%	0.216	34%	0.343	C	S	.	.	H	α-helix	trans	-61.5	-34.1	179.1	-62.2	-16.4	0	0	0	112.8	N104 L105 I166 K170	N104-Y108 HydrophobicContact CB-CE2 4.47Å; N104-Y108 WeakPolarHBondContact O-CD1 3.31Å; N104-Y108 VanDerWaalsContact O-CG 3.31Å; N104-Y108 PolarHBondContact O-N 3.23Å; L105-Y108 PolarHBondContact O-N 3.46Å; Y108-I166 HydrophobicContact CD1-CD1 4.09Å; Y108-I166 HydrophobicContact CE1-CD1 4.43Å; Y108-I166 HydrophobicContact CE1-CG2 4.04Å; Y108-I166 HydrophobicContact CE2-CB 4.28Å; Y108-I166 HydrophobicContact CE2-CG2 4.13Å; Y108-I166 HydrophobicContact CG-CD1 4.14Å; Y108-K170 PolarHBondContact OH-NZ 3.28Å
109	Y	98.2	Very high	97.3	Very high	67 Å²	67	62.2 Å²	62.2	26%	0.263	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	3.6	178.3	-69.6	-72.7	0	0	0	114	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.23Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.26Å; L105-Y109 PolarHBondContact O-N 3.25Å; G107-Y109 PolarHBondContact O-N 3.45Å; Y109-Q111 PolarHBondContact O-N 3.5Å; Y109-Y142 AromaticContact CD2-CD1 3.76Å; Y109-Y142 HydrophobicContact CD2-CD1 3.76Å; Y109-Y142 AromaticContact CD2-CE1 3.53Å; Y109-Y142 HydrophobicContact CD2-CE1 3.53Å; Y109-Y142 AromaticContact CE2-CD1 3.52Å; Y109-Y142 HydrophobicContact CE2-CD1 3.52Å; Y109-Y142 AromaticContact CE2-CE1 3.83Å; Y109-Y142 HydrophobicContact CE2-CE1 3.83Å; Y109-Y142 HydrophobicContact CG-CE1 4.44Å; Y109-Y147 HydrophobicContact CE2-CD2 4.37Å; Y109-Y147 HydrophobicContact CE2-CE2 4.08Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.31Å; Y109-Y147 WeakPolarHBondContact OH-CE2 2.77Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.24Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 2.99Å; Y109-D161 PolarHBondContact OH-OD2 2.92Å; Y109-A163 HydrophobicContact CD1-CB 4.15Å; Y109-A163 HydrophobicContact CD2-CB 4.37Å; Y109-A163 HydrophobicContact CE1-CB 3.62Å; Y109-A163 HydrophobicContact CE2-CB 3.84Å; Y109-A163 VanDerWaalsContact CZ-CB 3.44Å
110	N	97.2	Very high	97.3	Very high	154 Å²	154	62.3 Å²	62.3	82%	0.824	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	40.2	-177.2	-56.9	-58.1	0	0	0	113.4	R106 G107	R106-N110 PolarHBondContact O-N 3.3Å; R106-N110 VanDerWaalsContact O-N 3.14Å; G107-N110 PolarHBondContact O-N 3.28Å; G107-N110 VanDerWaalsContact O-N 3.13Å; G107-N110 PolarHBondContact O-OD1 2.91Å
111	Q	97.7	Very high	97.4	Very high	60 Å²	60	59.4 Å²	59.4	28%	0.28	33%	0.328	S	S	.	.			trans	-87.8	152.9	-176.7	-71	165.9	-34.9	0	0	112.1	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.8Å; R106-Q111 WeakPolarHBondContact CG-O 3.4Å; R106-Q111 PolarHBondContact O-N 2.88Å; Y109-Q111 PolarHBondContact O-N 3.5Å; Q111-H117 PolarHBondContact NE2-CE1 3.06Å; Q111-H117 PolarHBondContact OE1-CE1 3.23Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.26Å; Q111-Y142 PolarHBondContact OE1-OH 3.19Å; Q111-D143 PolarHBondContact NE2-OD2 2.86Å
112	S	95.8	Very high	97.4	Very high	83 Å²	83	58.9 Å²	58.9	58%	0.58	32%	0.322	S	S	*	.			trans	-66.7	147.5	179.2	176.4	0	0	0	0	112.6	A114 G115	S112-A114 PolarHBondContact O-N 3.14Å; S112-A114 PolarHBondContact OG-N 2.73Å; S112-G115 PolarHBondContact O-N 3.42Å
113	E	93	Very high	97.4	Very high	132 Å²	132	59.5 Å²	59.5	62%	0.617	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-20.6	174.6	-55.7	-151.8	128	0	0	113.8	P39 R106 G115	P39-E113 VanDerWaalsContact CB-O 3.32Å; P39-E113 WeakPolarHBondContact CB-O 3.07Å; P39-E113 WeakPolarHBondContact CG-O 3.31Å; R106-E113 IonicContact CZ-OE1 2.76Å; R106-E113 IonicContact NH1-OE1 3.91Å; R106-E113 PolarHBondContact NH1-OE1 2.73Å; R106-E113 IonicContact NH2-OE1 3.77Å; R106-E113 PolarHBondContact NH2-OE1 2.8Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 3.48Å
114	A	93.6	Very high	97.5	Very high	82 Å²	82	52.7 Å²	52.7	68%	0.678	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-14.2	178.1	0	0	0	0	0	112.9	S112	S112-A114 PolarHBondContact O-N 3.14Å; S112-A114 PolarHBondContact OG-N 2.73Å
115	G	94.3	Very high	97.5	Very high	24 Å²	24	49.4 Å²	49.4	25%	0.247	28%	0.281	C	S	.	.			trans	-74.7	134.2	-179.1	0	0	0	0	0	113.1	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.2Å; S112-G115 PolarHBondContact O-N 3.42Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 3.48Å; G115-H117 PolarHBondContact O-CD2 3.11Å; G115-H117 VanDerWaalsContact O-CD2 3.24Å
116	S	97.5	Very high	97.5	Very high	78 Å²	78	50 Å²	50	55%	0.545	28%	0.284	S	S	.	.			trans	-80.7	134.2	164.5	-177.7	0	0	0	0	108.8	S37	S37-S116 PolarHBondContact O-OG 2.93Å
117	H	98.4	Very high	97.4	Very high	15 Å²	15	47.4 Å²	47.4	7%	0.069	27%	0.274	C	S	.	.			trans	-134.5	151.4	-176.9	-64	-73.9	0	0	0	110.9	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.37Å; S37-H117 PolarHBondContact N-O 3Å; S37-H117 PolarHBondContact OG-N 3Å; S37-H117 PolarHBondContact OG-O 3.44Å; L102-H117 HydrophobicContact CD2-CB 4.28Å; Q111-H117 PolarHBondContact NE2-CE1 3.06Å; Q111-H117 PolarHBondContact OE1-CE1 3.23Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.26Å; G115-H117 PolarHBondContact O-CD2 3.11Å; G115-H117 VanDerWaalsContact O-CD2 3.24Å; H117-Y142 HydrophobicContact CB-CE2 3.79Å; H117-Y142 WeakPolarHBondContact CB-OH 3.39Å; H117-Y142 AromaticContact CG-CZ 3.99Å; H117-Y142 AromaticContact ND1-CZ 3.92Å; H117-Y142 PolarHBondContact ND1-OH 2.94Å; H117-D143 WeakPolarHBondContact CA-OD1 2.84Å; H117-D143 WeakPolarHBondContact CB-OD1 3.27Å; H117-D143 IonicContact CE1-OD2 3.16Å; H117-D143 IonicContact CG-OD1 3.42Å; H117-D143 IonicContact CG-OD2 3.67Å; H117-D143 IonicContact ND1-OD1 3.56Å; H117-D143 IonicContact ND1-OD2 3.71Å; H117-D143 PolarHBondContact ND1-OD2 2.92Å
118	T	98.8	Very high	97.2	Very high	38 Å²	38	45.6 Å²	45.6	23%	0.233	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.6	-175.1	-59.6	0	0	0	0	110.2	T34 A35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.02Å; A35-T118 WeakPolarHBondContact O-CA 3.33Å; V36-T118 HydrophobicContact CG2-CG2 4.28Å; T118-Q120 HydrophobicContact CG2-CG 3.88Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 3.43Å; T118-Y142 VanDerWaalsContact O-CD2 3.28Å; T118-Y142 WeakPolarHBondContact O-CD2 3.33Å; T118-D143 PolarHBondContact N-OD1 2.71Å; T118-D143 PolarHBondContact O-N 2.88Å
119	L	98.9	Very high	96.8	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	125.3	170.2	175.6	62.3	0	0	0	108.4	T34 A35 D98 L102 L105 F140	T34-L119 WeakPolarHBondContact CA-O 3.5Å; A35-L119 HydrophobicContact CB-CB 4.47Å; A35-L119 PolarHBondContact N-O 3.17Å; A35-L119 PolarHBondContact O-N 3.46Å; D98-L119 HydrophobicContact CB-CD2 4.17Å; L102-L119 HydrophobicContact CD2-CB 3.65Å; L102-L119 HydrophobicContact CG-CB 4.07Å; L105-L119 HydrophobicContact CD1-CD1 3.82Å; L105-L119 HydrophobicContact CD1-CD2 4.22Å; L105-L119 HydrophobicContact CD1-CG 4.46Å; L119-F140 HydrophobicContact CD1-CD1 4.19Å
120	Q	98.9	Very high	96.3	Very high	78 Å²	78	48.8 Å²	48.8	36%	0.364	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	145.6	177.6	-66.9	171.2	-81.1	0	0	110	Y33 T34 T118 F140 A141	Y33-Q120 CarbonylContact O-C 3.55Å; Y33-Q120 VanDerWaalsContact O-CA 3.29Å; Y33-Q120 WeakPolarHBondContact O-CA 3.32Å; T34-Q120 HydrophobicContact CG2-CG 4.09Å; T118-Q120 HydrophobicContact CG2-CG 3.88Å; Q120-F140 CarbonylContact O-C 3.59Å; Q120-F140 VanDerWaalsContact O-CA 3.22Å; Q120-F140 WeakPolarHBondContact O-CA 3.42Å; Q120-A141 HydrophobicContact CB-CB 4.36Å; Q120-A141 PolarHBondContact N-O 2.87Å; Q120-A141 PolarHBondContact O-N 3.3Å
121	R	98.7	Very high	95.9	Very high	14 Å²	14	42.4 Å²	42.4	5%	0.053	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	132.9	173.9	-176.4	-169.9	-176.6	-175.8	-3.3	109.6	F32 Y33 Y123 N138 Q139 F140 R180	F32-R121 WeakPolarHBondContact CA-O 3.11Å; Y33-R121 PolarHBondContact N-O 2.86Å; Y33-R121 PolarHBondContact O-N 3.09Å; R121-Y123 HydrophobicContact CG-CD1 4.28Å; R121-N138 PolarHBondContact NE-OD1 3.24Å; R121-N138 PolarHBondContact NH2-OD1 3.47Å; R121-Q139 WeakPolarHBondContact CA-O 3.47Å; R121-F140 HydrophobicContact CB-CD1 3.79Å; R121-F140 HydrophobicContact CB-CE1 3.75Å; R121-F140 HydrophobicContact CB-CG 4.43Å; R121-F140 HydrophobicContact CB-CZ 4.32Å; R121-F140 VanDerWaalsContact CD-CE1 3.46Å; R121-F140 HydrophobicContact CG-CD1 3.88Å; R121-F140 HydrophobicContact CG-CD2 4.31Å; R121-F140 HydrophobicContact CG-CE1 3.54Å; R121-F140 HydrophobicContact CG-CE2 3.96Å; R121-F140 HydrophobicContact CG-CG 4.27Å; R121-F140 HydrophobicContact CG-CZ 3.59Å; R121-F140 VanDerWaalsContact NE-CZ 3.31Å; R121-R180 VanDerWaalsContact NH2-NH1 3.17Å
122	M	98.8	Very high	95.7	Very high	24 Å²	24	47.9 Å²	47.9	12%	0.118	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.8	165.8	-175.7	-79.3	-77.1	0	0	108.8	Y31 F32 Y137 N138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.25Å; F32-M122 HydrophobicContact CD1-CB 4Å; F32-M122 HydrophobicContact CD1-CG 3.68Å; F32-M122 HydrophobicContact CE1-CB 4.14Å; F32-M122 HydrophobicContact CE1-CG 3.4Å; F32-M122 VanDerWaalsContact CE1-CG 3.4Å; F32-M122 HydrophobicContact CZ-CG 4.06Å; M122-Y137 HydrophobicContact CE-CD1 4.09Å; M122-Y137 HydrophobicContact CE-CG 4.15Å; M122-Y137 HydrophobicContact SD-CG 4.42Å; M122-N138 WeakPolarHBondContact O-CA 3.32Å; M122-Q139 HydrophobicContact CB-CG 4.11Å; M122-Q139 VanDerWaalsContact CE-CD 3.49Å; M122-Q139 HydrophobicContact CE-CG 4Å; M122-Q139 VanDerWaalsContact CE-OE1 3.24Å; M122-Q139 PolarHBondContact N-O 2.95Å; M122-Q139 PolarHBondContact O-N 2.65Å
123	Y	98.8	Very high	95.8	Very high	20 Å²	20	46.4 Å²	46.4	8%	0.078	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	155.6	171.5	73.3	-85.6	0	0	0	110.8	Y31 Y33 R121 Y137 Y183	Y31-Y123 VanDerWaalsContact CB-CE1 3.45Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.46Å; Y31-Y123 HydrophobicContact CD2-CD2 4.44Å; Y31-Y123 AromaticContact CD2-CE2 3.64Å; Y31-Y123 HydrophobicContact CD2-CE2 3.64Å; Y31-Y123 AromaticContact CD2-CZ 3.68Å; Y31-Y123 HydrophobicContact CE2-CE2 4.38Å; Y31-Y123 HydrophobicContact CG-CE1 4.16Å; Y31-Y123 HydrophobicContact CG-CE2 4.09Å; Y31-Y123 AromaticContact CG-CZ 3.64Å; Y31-Y123 PolarHBondContact N-O 3.28Å; Y31-Y123 PolarHBondContact O-N 3.18Å; Y31-Y123 VanDerWaalsContact O-N 3.12Å; Y33-Y123 HydrophobicContact CD2-CE1 4.15Å; Y33-Y123 HydrophobicContact CE1-CE1 4.01Å; Y33-Y123 AromaticContact CE2-CE1 3.56Å; Y33-Y123 HydrophobicContact CE2-CE1 3.56Å; Y33-Y123 AromaticContact CZ-CE1 3.51Å; Y33-Y123 AromaticContact CZ-CZ 3.91Å; Y33-Y123 PolarHBondContact OH-OH 3.33Å; R121-Y123 HydrophobicContact CG-CD1 4.28Å; Y123-Y137 WeakPolarHBondContact CA-O 3.42Å; Y123-Y137 VanDerWaalsContact CB-O 3.26Å; Y123-Y137 WeakPolarHBondContact CB-O 3.45Å; Y123-Y183 AromaticContact CD2-CE1 3.81Å; Y123-Y183 HydrophobicContact CD2-CE1 3.81Å; Y123-Y183 AromaticContact CE2-CE1 3.66Å; Y123-Y183 HydrophobicContact CE2-CE1 3.66Å; Y123-Y183 AromaticContact CE2-CZ 3.91Å
124	G	98.6	Very high	95.9	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.7	-177.8	-174.8	0	0	0	0	0	113.7	M29 Y137 L184	M29-G124 CarbonylContact O-C 3.58Å; M29-G124 WeakPolarHBondContact O-CA 3.48Å; G124-Y137 PolarHBondContact N-O 2.83Å; G124-Y137 VanDerWaalsContact N-O 3.08Å; G124-Y137 PolarHBondContact O-N 3.29Å; G124-L184 WeakPolarHBondContact O-CD2 3.2Å
125	C	98.5	Very high	96.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	147.4	-178.6	52.4	0	0	0	0	110.8	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.27Å; M29-C125 PolarHBondContact N-O 3.31Å; M29-C125 PolarHBondContact O-N 3.06Å; C125-L133 HydrophobicContact CB-CD1 3.57Å; C125-R135 CarbonylContact C-O 3.59Å; C125-R135 WeakPolarHBondContact CA-O 3.49Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.47Å; C125-C188 PolarHBondContact N-SG 3.02Å; C125-C188 WeakPolarHBondContact SG-CB 3.41Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.76Å
126	D	97.9	Very high	96.3	Very high	19 Å²	19	45.8 Å²	45.8	10%	0.102	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	136.7	171.1	-58.5	-12	0	0	0	108.5	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.47Å; H27-D126 WeakPolarHBondContact O-CA 3.47Å; S28-D126 WeakPolarHBondContact CB-OD1 3.28Å; R30-D126 IonicContact CZ-OD1 3.78Å; R30-D126 IonicContact NE-OD1 3.46Å; R30-D126 PolarHBondContact NE-OD1 2.88Å; R30-D126 VanDerWaalsContact NE-OD1 3.16Å; R30-D126 VanDerWaalsContact NH2-CG 3.3Å; R30-D126 IonicContact NH2-OD1 3.06Å; R30-D126 PolarHBondContact NH2-OD1 3.21Å; R30-D126 IonicContact NH2-OD2 3Å; R30-D126 PolarHBondContact NH2-OD2 2.92Å; D126-L134 HydrophobicContact CB-CB 4.31Å; D126-L134 HydrophobicContact CB-CD2 4.41Å; D126-L134 PolarHBondContact O-N 3.06Å; D126-R135 HydrophobicContact CB-CB 4.46Å; D126-R135 PolarHBondContact N-O 2.95Å; D126-R135 PolarHBondContact O-N 2.82Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.48Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.43Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.27Å; D126-Y137 PolarHBondContact OD2-OH 2.82Å
127	L	96.7	Very high	96.3	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	135.9	173.5	-57.3	-177	0	0	0	109.9	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.29Å; S26-L127 WeakPolarHBondContact CA-O 3.46Å; S26-L127 WeakPolarHBondContact CB-O 3.42Å; H27-L127 PolarHBondContact N-O 3.19Å; H27-L127 VanDerWaalsContact N-O 3.1Å; H27-L127 PolarHBondContact O-N 3.35Å; L127-R132 CarbonylContact C-O 3.51Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.38Å; L127-V189 HydrophobicContact CD1-CG1 4.47Å; L127-V189 HydrophobicContact CD2-CB 4.19Å; L127-V189 HydrophobicContact CD2-CG1 3.77Å; L127-V189 HydrophobicContact CD2-CG2 3.86Å; L127-L192 HydrophobicContact CB-CD2 4.48Å; L127-L192 HydrophobicContact CD1-CB 4.24Å; L127-L192 HydrophobicContact CD1-CD2 3.68Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.23Å; L127-R193 HydrophobicContact CD1-CG 3.98Å
128	G	93.3	Very high	96.3	Very high	6 Å²	6	43.2 Å²	43.2	6%	0.062	22%	0.216	C	C	.	.			trans	-69	174.4	165.8	0	0	0	0	0	111.9	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.41Å; G128-G131 WeakPolarHBondContact O-CA 3.47Å; G128-G131 PolarHBondContact O-N 2.81Å; G128-R132 PolarHBondContact N-O 3.42Å
129	P	88.8	Confident	96.3	Very high	88 Å²	88	44.7 Å²	44.7	57%	0.571	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-26.2	179	-18.4	29.4	0	0	0	113.5	A24 G131	A24-P129 HydrophobicContact CB-CB 3.72Å; A24-P129 HydrophobicContact CB-CG 3.17Å; P129-G131 PolarHBondContact O-N 3.26Å
130	D	88.9	Confident	96.3	Very high	101 Å²	101	45.4 Å²	45.4	54%	0.54	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	2.7	173.9	69.9	-14.3	0	0	0	113	G128 R132	G128-D130 PolarHBondContact O-N 3.41Å; D130-R132 PolarHBondContact O-N 2.83Å; D130-R132 WeakPolarHBondContact OD1-CB 3.45Å; D130-R132 PolarHBondContact OD1-N 3.2Å; D130-R132 WeakPolarHBondContact OD2-CD 3.47Å; D130-R132 VanDerWaalsContact OD2-CG 3.29Å; D130-R132 WeakPolarHBondContact OD2-CG 3.13Å; D130-R132 IonicContact OD2-NE 2.77Å
131	G	88.9	Confident	96.3	Very high	20 Å²	20	42.4 Å²	42.4	21%	0.206	21%	0.211	C	C	.	.	S	Bend	trans	72.4	9.7	-178.6	0	0	0	0	0	113.9	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.47Å; G128-G131 PolarHBondContact O-N 2.81Å; P129-G131 PolarHBondContact O-N 3.26Å; G131-R193 PolarHBondContact O-NE 2.63Å; G131-R193 VanDerWaalsContact O-NE 3.12Å; G131-R193 PolarHBondContact O-NH2 3.19Å
132	R	93.8	Very high	96.3	Very high	175 Å²	175	42.3 Å²	42.3	66%	0.66	21%	0.211	S	C	*	.	S	Bend	trans	-88.1	155.2	178.1	-62	-173.4	-175.2	170.8	-2.1	111.2	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.51Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.38Å; G128-R132 PolarHBondContact N-O 3.42Å; D130-R132 PolarHBondContact O-N 2.83Å; D130-R132 WeakPolarHBondContact OD1-CB 3.45Å; D130-R132 PolarHBondContact OD1-N 3.2Å; D130-R132 WeakPolarHBondContact OD2-CD 3.47Å; D130-R132 VanDerWaalsContact OD2-CG 3.29Å; D130-R132 WeakPolarHBondContact OD2-CG 3.13Å; D130-R132 IonicContact OD2-NE 2.77Å; R132-L134 PolarHBondContact O-N 3.4Å; R132-L134 VanDerWaalsContact O-N 3.13Å
133	L	96.8	Very high	96.3	Very high	53 Å²	53	44.2 Å²	44.2	28%	0.277	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	118	175.5	-177.4	72.6	0	0	0	109.8	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.57Å; L133-R135 WeakPolarHBondContact CD1-O 3.28Å; L133-L154 HydrophobicContact CD2-CD1 4.26Å; L133-E185 HydrophobicContact CD2-CB 4.41Å; L133-E185 HydrophobicContact CD2-CG 3.71Å; L133-V189 HydrophobicContact CB-CG2 4.08Å; L133-V189 HydrophobicContact CD1-CG2 4.08Å
134	L	96.2	Very high	96.3	Very high	124 Å²	124	46 Å²	46	65%	0.649	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	-48.3	170.8	-172.4	87.6	0	0	0	109.9	D126 R132	D126-L134 HydrophobicContact CB-CB 4.31Å; D126-L134 HydrophobicContact CB-CD2 4.41Å; D126-L134 PolarHBondContact O-N 3.06Å; R132-L134 PolarHBondContact O-N 3.4Å; R132-L134 VanDerWaalsContact O-N 3.13Å
135	R	96.6	Very high	96.3	Very high	96 Å²	96	53.7 Å²	53.7	36%	0.362	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	143.4	-174.4	-172.8	162.9	170.1	144.5	11	112	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.59Å; C125-R135 WeakPolarHBondContact CA-O 3.49Å; D126-R135 HydrophobicContact CB-CB 4.46Å; D126-R135 PolarHBondContact N-O 2.95Å; D126-R135 PolarHBondContact O-N 2.82Å; L133-R135 WeakPolarHBondContact CD1-O 3.28Å; R135-Y137 HydrophobicContact CB-CE2 4.07Å; R135-Y137 VanDerWaalsContact CD-CZ 3.47Å; R135-Y137 WeakPolarHBondContact CD-OH 3.29Å; R135-Y137 HydrophobicContact CG-CD2 4.46Å; R135-Y137 HydrophobicContact CG-CE1 4.05Å; R135-Y137 HydrophobicContact CG-CE2 3.76Å; R135-Y137 PolarHBondContact NE-OH 3.24Å; R135-E152 VanDerWaalsContact CZ-CD 3.48Å; R135-E152 IonicContact CZ-OE1 3.78Å; R135-E152 VanDerWaalsContact NH1-CD 3.28Å; R135-E152 IonicContact NH1-OE1 3.77Å; R135-E152 PolarHBondContact NH1-OE1 3.34Å; R135-E152 IonicContact NH1-OE2 3.23Å; R135-E152 IonicContact NH2-OE1 3.01Å; R135-E152 PolarHBondContact NH2-OE1 2.76Å
136	G	98.1	Very high	96.3	Very high	5 Å²	5	59.4 Å²	59.4	5%	0.052	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	148.7	172.2	0	0	0	0	0	111.5
137	Y	98.3	Very high	96.3	Very high	37 Å²	37	59 Å²	59	15%	0.145	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	141.7	-178	-53.6	-97.1	0	0	0	110.6	R30 M122 Y123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CZ 3.25Å; R30-Y137 PolarHBondContact NH2-OH 2.83Å; M122-Y137 HydrophobicContact CE-CD1 4.09Å; M122-Y137 HydrophobicContact CE-CG 4.15Å; M122-Y137 HydrophobicContact SD-CG 4.42Å; Y123-Y137 WeakPolarHBondContact CA-O 3.42Å; Y123-Y137 VanDerWaalsContact CB-O 3.26Å; Y123-Y137 WeakPolarHBondContact CB-O 3.45Å; G124-Y137 PolarHBondContact N-O 2.83Å; G124-Y137 VanDerWaalsContact N-O 3.08Å; G124-Y137 PolarHBondContact O-N 3.29Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.48Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.43Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.27Å; D126-Y137 PolarHBondContact OD2-OH 2.82Å; R135-Y137 HydrophobicContact CB-CE2 4.07Å; R135-Y137 VanDerWaalsContact CD-CZ 3.47Å; R135-Y137 WeakPolarHBondContact CD-OH 3.29Å; R135-Y137 HydrophobicContact CG-CD2 4.46Å; R135-Y137 HydrophobicContact CG-CE1 4.05Å; R135-Y137 HydrophobicContact CG-CE2 3.76Å; R135-Y137 PolarHBondContact NE-OH 3.24Å
138	N	98.6	Very high	96.4	Very high	2 Å²	2	59 Å²	59	1%	0.011	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	99.8	163.8	-178.2	51.8	0	0	0	108.9	R121 M122 L150 W157	R121-N138 PolarHBondContact NE-OD1 3.24Å; R121-N138 PolarHBondContact NH2-OD1 3.47Å; M122-N138 WeakPolarHBondContact O-CA 3.32Å; N138-L150 HydrophobicContact CB-CB 4.06Å; N138-L150 HydrophobicContact CB-CD2 4.16Å; N138-L150 WeakPolarHBondContact O-CB 3.42Å; N138-L150 PolarHBondContact O-N 3.01Å; N138-W157 WeakPolarHBondContact ND2-CH2 3.43Å
139	Q	98.8	Very high	96.7	Very high	69 Å²	69	60.3 Å²	60.3	32%	0.322	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	149.7	-174.2	64.4	-167.3	72.6	0	0	111.5	R121 M122 I148 A149	R121-Q139 WeakPolarHBondContact CA-O 3.47Å; M122-Q139 HydrophobicContact CB-CG 4.11Å; M122-Q139 VanDerWaalsContact CE-CD 3.49Å; M122-Q139 HydrophobicContact CE-CG 4Å; M122-Q139 VanDerWaalsContact CE-OE1 3.24Å; M122-Q139 PolarHBondContact N-O 2.95Å; M122-Q139 PolarHBondContact O-N 2.65Å; Q139-I148 WeakPolarHBondContact CA-O 3.35Å; Q139-A149 HydrophobicContact CB-CB 3.88Å
140	F	98.8	Very high	97.2	Very high	18 Å²	18	56.8 Å²	56.8	8%	0.079	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.2	-178.5	-65.8	-104.8	0	0	0	110.3	L119 Q120 R121 Y147 I148 W171	L119-F140 HydrophobicContact CD1-CD1 4.19Å; Q120-F140 CarbonylContact O-C 3.59Å; Q120-F140 VanDerWaalsContact O-CA 3.22Å; Q120-F140 WeakPolarHBondContact O-CA 3.42Å; R121-F140 HydrophobicContact CB-CD1 3.79Å; R121-F140 HydrophobicContact CB-CE1 3.75Å; R121-F140 HydrophobicContact CB-CG 4.43Å; R121-F140 HydrophobicContact CB-CZ 4.32Å; R121-F140 VanDerWaalsContact CD-CE1 3.46Å; R121-F140 HydrophobicContact CG-CD1 3.88Å; R121-F140 HydrophobicContact CG-CD2 4.31Å; R121-F140 HydrophobicContact CG-CE1 3.54Å; R121-F140 HydrophobicContact CG-CE2 3.96Å; R121-F140 HydrophobicContact CG-CG 4.27Å; R121-F140 HydrophobicContact CG-CZ 3.59Å; R121-F140 VanDerWaalsContact NE-CZ 3.31Å; F140-Y147 HydrophobicContact CB-CD1 4.45Å; F140-Y147 WeakPolarHBondContact O-CB 3.38Å; F140-Y147 PolarHBondContact O-N 2.99Å; F140-I148 HydrophobicContact CB-CG2 4.2Å; F140-I148 HydrophobicContact CD2-CG2 4.09Å; F140-I148 HydrophobicContact CG-CG2 4.44Å; F140-I148 PolarHBondContact N-O 3.2Å; F140-I148 PolarHBondContact O-N 3.5Å; F140-W171 AromaticContact CD2-CH2 3.81Å; F140-W171 HydrophobicContact CD2-CH2 3.81Å; F140-W171 HydrophobicContact CD2-CZ3 4.25Å; F140-W171 AromaticContact CE2-CH2 3.42Å; F140-W171 HydrophobicContact CE2-CH2 3.42Å; F140-W171 VanDerWaalsContact CE2-CH2 3.42Å; F140-W171 HydrophobicContact CE2-CZ2 4.47Å; F140-W171 AromaticContact CE2-CZ3 3.99Å; F140-W171 HydrophobicContact CE2-CZ3 3.99Å; F140-W171 AromaticContact CZ-CH2 3.8Å; F140-W171 HydrophobicContact CZ-CH2 3.8Å; F140-W171 HydrophobicContact CZ-CZ2 4.48Å
141	A	98.9	Very high	97.6	Very high	15 Å²	15	54.1 Å²	54.1	12%	0.124	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	144.7	171.4	0	0	0	0	0	110.2	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.36Å; Q120-A141 PolarHBondContact N-O 2.87Å; Q120-A141 PolarHBondContact O-N 3.3Å; A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.45Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.39Å
142	Y	98.8	Very high	98	Very high	12 Å²	12	59.5 Å²	59.5	5%	0.047	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.7	177	-174.7	-121.9	0	0	0	109.9	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.01Å; L105-Y142 HydrophobicContact CB-CD1 4.33Å; L105-Y142 HydrophobicContact CB-CD2 4.21Å; L105-Y142 HydrophobicContact CB-CE1 3.95Å; L105-Y142 HydrophobicContact CB-CE2 3.85Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.63Å; L105-Y142 HydrophobicContact CD1-CE2 3.94Å; L105-Y142 HydrophobicContact CD1-CG 4.07Å; L105-Y142 HydrophobicContact CD2-CG 4.45Å; L105-Y142 HydrophobicContact CG-CD2 4.4Å; L105-Y142 HydrophobicContact CG-CE2 4.48Å; Y109-Y142 AromaticContact CD2-CD1 3.76Å; Y109-Y142 HydrophobicContact CD2-CD1 3.76Å; Y109-Y142 AromaticContact CD2-CE1 3.53Å; Y109-Y142 HydrophobicContact CD2-CE1 3.53Å; Y109-Y142 AromaticContact CE2-CD1 3.52Å; Y109-Y142 HydrophobicContact CE2-CD1 3.52Å; Y109-Y142 AromaticContact CE2-CE1 3.83Å; Y109-Y142 HydrophobicContact CE2-CE1 3.83Å; Y109-Y142 HydrophobicContact CG-CE1 4.44Å; Q111-Y142 PolarHBondContact OE1-OH 3.19Å; H117-Y142 HydrophobicContact CB-CE2 3.79Å; H117-Y142 WeakPolarHBondContact CB-OH 3.39Å; H117-Y142 AromaticContact CG-CZ 3.99Å; H117-Y142 AromaticContact ND1-CZ 3.92Å; H117-Y142 PolarHBondContact ND1-OH 2.94Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 3.43Å; T118-Y142 VanDerWaalsContact O-CD2 3.28Å; T118-Y142 WeakPolarHBondContact O-CD2 3.33Å; Y142-G144 PolarHBondContact O-N 3.37Å; Y142-K145 PolarHBondContact N-O 3.2Å; Y142-K145 PolarHBondContact O-N 2.86Å
143	D	98.4	Very high	98.2	Very high	64 Å²	64	54.9 Å²	54.9	34%	0.342	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	40.3	-174.6	-65.4	-21.3	0	0	0	113.1	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 2.86Å; H117-D143 WeakPolarHBondContact CA-OD1 2.84Å; H117-D143 WeakPolarHBondContact CB-OD1 3.27Å; H117-D143 IonicContact CE1-OD2 3.16Å; H117-D143 IonicContact CG-OD1 3.42Å; H117-D143 IonicContact CG-OD2 3.67Å; H117-D143 IonicContact ND1-OD1 3.56Å; H117-D143 IonicContact ND1-OD2 3.71Å; H117-D143 PolarHBondContact ND1-OD2 2.92Å; T118-D143 PolarHBondContact N-OD1 2.71Å; T118-D143 PolarHBondContact O-N 2.88Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 2.82Å
144	G	97.8	Very high	98.3	Very high	59 Å²	59	52.9 Å²	52.9	61%	0.608	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	6.1	177.7	0	0	0	0	0	115.4	Y142	Y142-G144 PolarHBondContact O-N 3.37Å
145	K	98.6	Very high	98.3	Very high	161 Å²	161	54.8 Å²	54.8	70%	0.7	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	145	177.4	-62.5	179.8	-177.9	178	0	110.9	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.45Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.39Å; Y142-K145 PolarHBondContact N-O 3.2Å; Y142-K145 PolarHBondContact O-N 2.86Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 2.82Å; K145-Y147 PolarHBondContact O-N 3.25Å
146	D	98.8	Very high	98.4	Very high	120 Å²	120	52.1 Å²	52.1	64%	0.642	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54	135.6	173.9	-69.6	-35.8	0	0	0	110.8	A160	D146-A160 WeakPolarHBondContact O-CB 3.36Å
147	Y	98.8	Very high	98.4	Very high	10 Å²	10	52.4 Å²	52.4	4%	0.039	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-63.3	-179.4	178.8	-107.4	0	0	0	110.8	L105 Y109 F140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.34Å; L105-Y147 HydrophobicContact CD2-CD2 3.98Å; L105-Y147 HydrophobicContact CD2-CE1 3.81Å; L105-Y147 HydrophobicContact CD2-CE2 3.37Å; L105-Y147 HydrophobicContact CD2-CG 4.43Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.37Å; Y109-Y147 HydrophobicContact CE2-CD2 4.37Å; Y109-Y147 HydrophobicContact CE2-CE2 4.08Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.31Å; Y109-Y147 WeakPolarHBondContact OH-CE2 2.77Å; F140-Y147 HydrophobicContact CB-CD1 4.45Å; F140-Y147 WeakPolarHBondContact O-CB 3.38Å; F140-Y147 PolarHBondContact O-N 2.99Å; K145-Y147 PolarHBondContact O-N 3.25Å; Y147-A160 WeakPolarHBondContact O-CB 3.4Å; Y147-A160 PolarHBondContact O-N 3.44Å; Y147-A163 HydrophobicContact CE2-CB 4.48Å; Y147-A163 PolarHBondContact OH-O 2.88Å; Y147-A164 HydrophobicContact CD2-CB 3.85Å; Y147-A164 HydrophobicContact CE1-CB 4.43Å; Y147-A164 VanDerWaalsContact CE2-CA 3.5Å; Y147-A164 HydrophobicContact CE2-CB 3.69Å; Y147-A164 HydrophobicContact CG-CB 4.3Å; Y147-A164 WeakPolarHBondContact O-CB 3.48Å; Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 WeakPolarHBondContact OH-CB 3.18Å; Y147-T167 PolarHBondContact OH-OG1 3.21Å
148	I	98.8	Very high	98.5	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	139.2	178.4	-161.4	173.3	0	0	0	110.6	Q139 F140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.35Å; F140-I148 HydrophobicContact CB-CG2 4.2Å; F140-I148 HydrophobicContact CD2-CG2 4.09Å; F140-I148 HydrophobicContact CG-CG2 4.44Å; F140-I148 PolarHBondContact N-O 3.2Å; F140-I148 PolarHBondContact O-N 3.5Å; I148-W157 HydrophobicContact CD1-CB 4.19Å; I148-W157 HydrophobicContact CD1-CD2 4.46Å; I148-W157 HydrophobicContact CD1-CE3 4.29Å; I148-W157 HydrophobicContact CD1-CG 4.45Å; I148-W157 HydrophobicContact CG1-CB 4.28Å; I148-W157 HydrophobicContact CG1-CE3 4.15Å; I148-T158 WeakPolarHBondContact CA-O 3.49Å; I148-T158 WeakPolarHBondContact CG1-O 3.47Å; I148-T167 HydrophobicContact CD1-CG2 4.09Å; I148-Q168 HydrophobicContact CD1-CB 3.9Å; I148-W171 HydrophobicContact CD1-CE3 4.13Å; I148-W171 HydrophobicContact CD1-CZ3 4.32Å; I148-W171 HydrophobicContact CG2-CE3 4.49Å; I148-W171 HydrophobicContact CG2-CH2 3.99Å; I148-W171 HydrophobicContact CG2-CZ3 3.67Å
149	A	98.8	Very high	98.5	Very high	33 Å²	33	55.4 Å²	55.4	27%	0.273	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	139.1	179.3	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.88Å; A149-W157 CarbonylContact O-C 3.55Å; A149-W157 WeakPolarHBondContact O-CA 3.19Å; A149-T158 PolarHBondContact N-O 2.82Å; A149-T158 PolarHBondContact O-N 3.37Å
150	L	98.8	Very high	98.5	Very high	14 Å²	14	55 Å²	55	7%	0.073	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	128.2	167.6	-176.1	66.4	0	0	0	108.5	N138 L154 W157 A177 R180 L184	N138-L150 HydrophobicContact CB-CB 4.06Å; N138-L150 HydrophobicContact CB-CD2 4.16Å; N138-L150 WeakPolarHBondContact O-CB 3.42Å; N138-L150 PolarHBondContact O-N 3.01Å; L150-L154 HydrophobicContact CD2-CB 4.5Å; L150-L154 HydrophobicContact CD2-CD2 3.84Å; L150-L154 HydrophobicContact CG-CD2 4.33Å; L150-W157 HydrophobicContact CB-CE3 3.97Å; L150-W157 HydrophobicContact CB-CH2 4.16Å; L150-W157 HydrophobicContact CB-CZ3 3.67Å; L150-W157 HydrophobicContact CD1-CD2 4.15Å; L150-W157 HydrophobicContact CD1-CE3 4.27Å; L150-W157 HydrophobicContact CD1-CH2 4.11Å; L150-W157 HydrophobicContact CD1-CZ2 3.97Å; L150-W157 HydrophobicContact CD1-CZ3 4.25Å; L150-A177 HydrophobicContact CD1-CB 4.03Å; L150-R180 HydrophobicContact CD2-CB 3.95Å; L150-L184 HydrophobicContact CD2-CD1 3.98Å
151	N	98.6	Very high	98.4	Very high	45 Å²	45	56.9 Å²	56.9	24%	0.241	32%	0.316	C	S	.	.			trans	-72.1	164.3	-179.8	-67.3	-27.1	0	0	0	111.5	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.04Å; N151-D153 VanDerWaalsContact O-N 3.12Å; N151-L154 WeakPolarHBondContact O-CA 3.38Å; N151-L154 PolarHBondContact O-N 2.88Å; N151-S156 WeakPolarHBondContact CB-O 3.28Å; N151-S156 WeakPolarHBondContact CB-OG 3.28Å; N151-S156 PolarHBondContact N-O 3.42Å; N151-S156 PolarHBondContact ND2-OG 3.05Å; N151-T158 PolarHBondContact ND2-OG1 3.36Å; N151-T158 WeakPolarHBondContact OD1-CB 3.22Å; N151-T158 PolarHBondContact OD1-OG1 3.04Å
152	E	97.5	Very high	98.4	Very high	133 Å²	133	64.5 Å²	64.5	62%	0.621	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.8	-179.3	-66.8	179.2	-164.9	0	0	113.4	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.48Å; R135-E152 IonicContact CZ-OE1 3.78Å; R135-E152 VanDerWaalsContact NH1-CD 3.28Å; R135-E152 IonicContact NH1-OE1 3.77Å; R135-E152 PolarHBondContact NH1-OE1 3.34Å; R135-E152 IonicContact NH1-OE2 3.23Å; R135-E152 IonicContact NH2-OE1 3.01Å; R135-E152 PolarHBondContact NH2-OE1 2.76Å; E152-L154 PolarHBondContact O-N 2.87Å
153	D	97.6	Very high	98.4	Very high	79 Å²	79	64.2 Å²	64.2	42%	0.422	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-8.6	174.2	69.9	3.7	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.04Å; N151-D153 VanDerWaalsContact O-N 3.12Å; D153-R155 WeakPolarHBondContact O-CG 3.4Å; D153-R155 PolarHBondContact O-N 2.84Å; D153-R155 VanDerWaalsContact O-N 3.15Å; D153-R155 PolarHBondContact OD1-N 2.95Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 3.27Å; D153-S156 PolarHBondContact OD1-OG 2.89Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.27Å; D153-S156 PolarHBondContact OD2-OG 2.97Å
154	L	98.1	Very high	98.4	Very high	10 Å²	10	61.2 Å²	61.2	5%	0.052	33%	0.33	C	S	.	.	S	Bend	trans	54.1	25.3	-175.1	-53.2	-178.4	0	0	0	114	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.26Å; L150-L154 HydrophobicContact CD2-CB 4.5Å; L150-L154 HydrophobicContact CD2-CD2 3.84Å; L150-L154 HydrophobicContact CG-CD2 4.33Å; N151-L154 WeakPolarHBondContact O-CA 3.38Å; N151-L154 PolarHBondContact O-N 2.88Å; E152-L154 PolarHBondContact O-N 2.87Å; L154-R181 HydrophobicContact CB-CB 4.08Å; L154-R181 HydrophobicContact CB-CG 3.87Å; L154-R181 HydrophobicContact CD1-CG 4.22Å; L154-L184 HydrophobicContact CD2-CD1 3.99Å; L154-E185 HydrophobicContact CD1-CG 4.17Å
155	R	97.8	Very high	98.4	Very high	165 Å²	165	62 Å²	62	62%	0.623	32%	0.318	S	S	*	.	S	Bend	trans	-131.5	-33.8	-173.8	-71.3	169.9	-174.8	-119.7	10.4	112.6	D153 A177	D153-R155 WeakPolarHBondContact O-CG 3.4Å; D153-R155 PolarHBondContact O-N 2.84Å; D153-R155 VanDerWaalsContact O-N 3.15Å; D153-R155 PolarHBondContact OD1-N 2.95Å; R155-A177 WeakPolarHBondContact O-CB 3.43Å
156	S	98.1	Very high	98.4	Very high	40 Å²	40	57.1 Å²	57.1	28%	0.28	30%	0.299	S	S	.	.			trans	-113.5	162.7	-177	63.5	0	0	0	0	112	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.28Å; N151-S156 WeakPolarHBondContact CB-OG 3.28Å; N151-S156 PolarHBondContact N-O 3.42Å; N151-S156 PolarHBondContact ND2-OG 3.05Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 3.27Å; D153-S156 PolarHBondContact OD1-OG 2.89Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.27Å; D153-S156 PolarHBondContact OD2-OG 2.97Å
157	W	98.8	Very high	98.4	Very high	10 Å²	10	52.1 Å²	52.1	4%	0.038	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	145.4	-178.4	-59.7	91	0	0	0	110.9	N138 I148 A149 L150 Q168 W171 E176 A177 R180	N138-W157 WeakPolarHBondContact ND2-CH2 3.43Å; I148-W157 HydrophobicContact CD1-CB 4.19Å; I148-W157 HydrophobicContact CD1-CD2 4.46Å; I148-W157 HydrophobicContact CD1-CE3 4.29Å; I148-W157 HydrophobicContact CD1-CG 4.45Å; I148-W157 HydrophobicContact CG1-CB 4.28Å; I148-W157 HydrophobicContact CG1-CE3 4.15Å; A149-W157 CarbonylContact O-C 3.55Å; A149-W157 WeakPolarHBondContact O-CA 3.19Å; L150-W157 HydrophobicContact CB-CE3 3.97Å; L150-W157 HydrophobicContact CB-CH2 4.16Å; L150-W157 HydrophobicContact CB-CZ3 3.67Å; L150-W157 HydrophobicContact CD1-CD2 4.15Å; L150-W157 HydrophobicContact CD1-CE3 4.27Å; L150-W157 HydrophobicContact CD1-CH2 4.11Å; L150-W157 HydrophobicContact CD1-CZ2 3.97Å; L150-W157 HydrophobicContact CD1-CZ3 4.25Å; W157-Q168 HydrophobicContact CB-CG 4.2Å; W157-Q168 PolarHBondContact O-NE2 2.83Å; W157-W171 AromaticContact CD2-CE3 3.96Å; W157-W171 HydrophobicContact CD2-CE3 3.96Å; W157-W171 HydrophobicContact CD2-CZ3 4.48Å; W157-W171 AromaticContact CE2-CE3 3.82Å; W157-W171 AromaticContact CE3-CE3 3.81Å; W157-W171 HydrophobicContact CE3-CE3 3.81Å; W157-W171 AromaticContact CE3-CZ3 3.87Å; W157-W171 HydrophobicContact CE3-CZ3 3.87Å; W157-W171 AromaticContact CH2-CE3 3.39Å; W157-W171 HydrophobicContact CH2-CE3 3.39Å; W157-W171 AromaticContact CH2-CZ3 3.44Å; W157-W171 HydrophobicContact CH2-CZ3 3.44Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.44Å; W157-W171 HydrophobicContact CZ2-CD2 4.43Å; W157-W171 AromaticContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CZ3 4.11Å; W157-W171 AromaticContact CZ3-CE3 3.54Å; W157-W171 HydrophobicContact CZ3-CE3 3.54Å; W157-W171 AromaticContact CZ3-CZ3 3.31Å; W157-W171 HydrophobicContact CZ3-CZ3 3.31Å; W157-E176 HydrophobicContact CZ2-CB 4.18Å; W157-A177 HydrophobicContact CZ2-CB 4.28Å; W157-R180 HydrophobicContact CH2-CG 4.25Å
158	T	98.8	Very high	98.4	Very high	78 Å²	78	53.6 Å²	53.6	48%	0.479	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	118.6	166.8	-66	0	0	0	0	109	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.49Å; I148-T158 WeakPolarHBondContact CG1-O 3.47Å; A149-T158 PolarHBondContact N-O 2.82Å; A149-T158 PolarHBondContact O-N 3.37Å; N151-T158 PolarHBondContact ND2-OG1 3.36Å; N151-T158 WeakPolarHBondContact OD1-CB 3.22Å; N151-T158 PolarHBondContact OD1-OG1 3.04Å
159	A	98.7	Very high	98.4	Very high	24 Å²	24	60.8 Å²	60.8	20%	0.198	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	131.6	176.1	0	0	0	0	0	110.3	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.71Å; A159-Q165 HydrophobicContact CB-CG 4Å; A159-Q168 HydrophobicContact CB-CB 4.39Å
160	A	98.6	Very high	98.4	Very high	61 Å²	61	64.8 Å²	64.8	50%	0.504	32%	0.318	S	S	.	.	S	Bend	trans	-74.4	-30.6	-176.3	0	0	0	0	0	113.5	D146 Y147	D146-A160 WeakPolarHBondContact O-CB 3.36Å; Y147-A160 WeakPolarHBondContact O-CB 3.4Å; Y147-A160 PolarHBondContact O-N 3.44Å
161	D	98.4	Very high	98.4	Very high	58 Å²	58	66.6 Å²	66.6	31%	0.31	32%	0.324	S	S	.	.	S	Bend	trans	-151.6	-174.9	-178	67.9	29	0	0	0	113.4	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.24Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 2.99Å; Y109-D161 PolarHBondContact OH-OD2 2.92Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.3Å; D161-A163 WeakPolarHBondContact OD1-CA 3.05Å; D161-A163 WeakPolarHBondContact OD1-CB 3.45Å; D161-A163 PolarHBondContact OD1-N 3.46Å; D161-A164 PolarHBondContact O-N 2.9Å; D161-A164 PolarHBondContact OD1-N 2.99Å; D161-Q165 WeakPolarHBondContact O-CG 3.37Å; D161-Q165 PolarHBondContact O-N 3Å
162	K	98.4	Very high	98.4	Very high	174 Å²	174	68.9 Å²	68.9	76%	0.757	33%	0.334	S	S	*	.	H	α-helix	trans	-63.8	-30.8	-179.8	-67.1	-176.3	-178.8	177.8	0	113.5
163	A	98.2	Very high	98.4	Very high	7 Å²	7	66.7 Å²	66.7	6%	0.058	34%	0.338	C	S	.	.	H	α-helix	trans	-72.7	-43.4	176.5	0	0	0	0	0	110	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.15Å; Y109-A163 HydrophobicContact CD2-CB 4.37Å; Y109-A163 HydrophobicContact CE1-CB 3.62Å; Y109-A163 HydrophobicContact CE2-CB 3.84Å; Y109-A163 VanDerWaalsContact CZ-CB 3.44Å; Y147-A163 HydrophobicContact CE2-CB 4.48Å; Y147-A163 PolarHBondContact OH-O 2.88Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.3Å; D161-A163 WeakPolarHBondContact OD1-CA 3.05Å; D161-A163 WeakPolarHBondContact OD1-CB 3.45Å; D161-A163 PolarHBondContact OD1-N 3.46Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.17Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.36Å; A163-I166 PolarHBondContact O-N 3.01Å
164	A	98.6	Very high	98.4	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-59.8	-34.6	174.1	0	0	0	0	0	113.3	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.85Å; Y147-A164 HydrophobicContact CE1-CB 4.43Å; Y147-A164 VanDerWaalsContact CE2-CA 3.5Å; Y147-A164 HydrophobicContact CE2-CB 3.69Å; Y147-A164 HydrophobicContact CG-CB 4.3Å; Y147-A164 WeakPolarHBondContact O-CB 3.48Å; A159-A164 HydrophobicContact CB-CB 3.71Å; D161-A164 PolarHBondContact O-N 2.9Å; D161-A164 PolarHBondContact OD1-N 2.99Å; A164-I166 PolarHBondContact O-N 2.81Å; A164-T167 WeakPolarHBondContact O-CB 3.22Å; A164-T167 PolarHBondContact O-N 3.23Å; A164-Q168 PolarHBondContact O-N 3.18Å
165	Q	98.8	Very high	98.4	Very high	76 Å²	76	72.8 Å²	72.8	36%	0.355	37%	0.367	S	S	.	.	H	α-helix	trans	-59.9	-27.6	173.5	-73.2	175.3	7.8	0	0	113.1	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4Å; D161-Q165 WeakPolarHBondContact O-CG 3.37Å; D161-Q165 PolarHBondContact O-N 3Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.17Å; Q165-R169 WeakPolarHBondContact O-CG 3.42Å; Q165-R169 PolarHBondContact O-N 3.23Å; Q165-R169 VanDerWaalsContact O-N 3.12Å
166	I	98.6	Very high	98.4	Very high	58 Å²	58	66.8 Å²	66.8	30%	0.297	35%	0.346	S	S	.	.	H	α-helix	trans	-66.7	-45.5	174.1	-56.8	170.8	0	0	0	109.7	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.09Å; Y108-I166 HydrophobicContact CE1-CD1 4.43Å; Y108-I166 HydrophobicContact CE1-CG2 4.04Å; Y108-I166 HydrophobicContact CE2-CB 4.28Å; Y108-I166 HydrophobicContact CE2-CG2 4.13Å; Y108-I166 HydrophobicContact CG-CD1 4.14Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.36Å; A163-I166 PolarHBondContact O-N 3.01Å; A164-I166 PolarHBondContact O-N 2.81Å; I166-K170 WeakPolarHBondContact O-CG 3.36Å; I166-K170 PolarHBondContact O-N 2.8Å
167	T	98.5	Very high	98.4	Very high	16 Å²	16	65.3 Å²	65.3	10%	0.098	34%	0.336	C	S	.	.	H	α-helix	trans	-64	-44.8	175	-69	0	0	0	0	111.3	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 WeakPolarHBondContact OH-CB 3.18Å; Y147-T167 PolarHBondContact OH-OG1 3.21Å; I148-T167 HydrophobicContact CD1-CG2 4.09Å; A164-T167 WeakPolarHBondContact O-CB 3.22Å; A164-T167 PolarHBondContact O-N 3.23Å; T167-R169 PolarHBondContact O-N 2.82Å; T167-K170 WeakPolarHBondContact O-CB 3.4Å; T167-K170 PolarHBondContact O-N 3.43Å; T167-K170 VanDerWaalsContact O-N 3.13Å; T167-W171 HydrophobicContact CG2-CD2 3.66Å; T167-W171 VanDerWaalsContact CG2-CE2 3.49Å; T167-W171 HydrophobicContact CG2-CE3 4.1Å; T167-W171 HydrophobicContact CG2-CG 4.06Å; T167-W171 HydrophobicContact CG2-CH2 4.2Å; T167-W171 HydrophobicContact CG2-CZ2 3.8Å; T167-W171 HydrophobicContact CG2-CZ3 4.34Å; T167-W171 WeakPolarHBondContact O-CB 3.47Å; T167-W171 PolarHBondContact O-N 3.22Å
168	Q	98.7	Very high	98.4	Very high	41 Å²	41	70.3 Å²	70.3	19%	0.192	36%	0.36	C	S	.	.	H	α-helix	trans	-51.8	-54	177.7	177.2	174.6	14	0	0	111.6	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.9Å; W157-Q168 HydrophobicContact CB-CG 4.2Å; W157-Q168 PolarHBondContact O-NE2 2.83Å; A159-Q168 HydrophobicContact CB-CB 4.39Å; A164-Q168 PolarHBondContact O-N 3.18Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 3.13Å; Q168-W171 PolarHBondContact O-N 3.32Å; Q168-W171 VanDerWaalsContact O-N 3.13Å; Q168-E172 HydrophobicContact CG-CG 4.32Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.22Å; Q168-E172 PolarHBondContact NE2-OE1 3.04Å; Q168-E172 WeakPolarHBondContact O-CB 3.44Å; Q168-E172 WeakPolarHBondContact O-CG 3.44Å; Q168-E172 PolarHBondContact O-N 2.85Å
169	R	98.7	Very high	98.3	Very high	155 Å²	155	72.5 Å²	72.5	59%	0.585	37%	0.365	S	S	*	.	H	α-helix	trans	-59.3	-39.4	179.8	-68	172.8	-164.2	146.4	8.4	112.5	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.42Å; Q165-R169 PolarHBondContact O-N 3.23Å; Q165-R169 VanDerWaalsContact O-N 3.12Å; T167-R169 PolarHBondContact O-N 2.82Å; R169-A173 VanDerWaalsContact O-CB 3.32Å; R169-A173 WeakPolarHBondContact O-CB 3.43Å; R169-A173 PolarHBondContact O-N 3.5Å
170	K	98.4	Very high	98.3	Very high	116 Å²	116	74.4 Å²	74.4	50%	0.504	37%	0.367	S	S	.	.	H	α-helix	trans	-64.8	-43.9	176.9	-72.7	178.6	177.2	-174.6	0	111.5	Y108 I166 T167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 3.28Å; I166-K170 WeakPolarHBondContact O-CG 3.36Å; I166-K170 PolarHBondContact O-N 2.8Å; T167-K170 WeakPolarHBondContact O-CB 3.4Å; T167-K170 PolarHBondContact O-N 3.43Å; T167-K170 VanDerWaalsContact O-N 3.13Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 3.13Å; K170-A174 WeakPolarHBondContact O-CB 3.5Å; K170-A174 PolarHBondContact O-N 3.14Å
171	W	98.4	Very high	98.3	Very high	52 Å²	52	75 Å²	75	20%	0.197	36%	0.356	C	S	.	.	H	α-helix	trans	-72.3	-36	-178.8	-75.9	6.6	0	0	0	112.9	F140 I148 W157 T167 Q168 A174 R175 E176	F140-W171 AromaticContact CD2-CH2 3.81Å; F140-W171 HydrophobicContact CD2-CH2 3.81Å; F140-W171 HydrophobicContact CD2-CZ3 4.25Å; F140-W171 AromaticContact CE2-CH2 3.42Å; F140-W171 HydrophobicContact CE2-CH2 3.42Å; F140-W171 VanDerWaalsContact CE2-CH2 3.42Å; F140-W171 HydrophobicContact CE2-CZ2 4.47Å; F140-W171 AromaticContact CE2-CZ3 3.99Å; F140-W171 HydrophobicContact CE2-CZ3 3.99Å; F140-W171 AromaticContact CZ-CH2 3.8Å; F140-W171 HydrophobicContact CZ-CH2 3.8Å; F140-W171 HydrophobicContact CZ-CZ2 4.48Å; I148-W171 HydrophobicContact CD1-CE3 4.13Å; I148-W171 HydrophobicContact CD1-CZ3 4.32Å; I148-W171 HydrophobicContact CG2-CE3 4.49Å; I148-W171 HydrophobicContact CG2-CH2 3.99Å; I148-W171 HydrophobicContact CG2-CZ3 3.67Å; W157-W171 AromaticContact CD2-CE3 3.96Å; W157-W171 HydrophobicContact CD2-CE3 3.96Å; W157-W171 HydrophobicContact CD2-CZ3 4.48Å; W157-W171 AromaticContact CE2-CE3 3.82Å; W157-W171 AromaticContact CE3-CE3 3.81Å; W157-W171 HydrophobicContact CE3-CE3 3.81Å; W157-W171 AromaticContact CE3-CZ3 3.87Å; W157-W171 HydrophobicContact CE3-CZ3 3.87Å; W157-W171 AromaticContact CH2-CE3 3.39Å; W157-W171 HydrophobicContact CH2-CE3 3.39Å; W157-W171 AromaticContact CH2-CZ3 3.44Å; W157-W171 HydrophobicContact CH2-CZ3 3.44Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.44Å; W157-W171 HydrophobicContact CZ2-CD2 4.43Å; W157-W171 AromaticContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CZ3 4.11Å; W157-W171 AromaticContact CZ3-CE3 3.54Å; W157-W171 HydrophobicContact CZ3-CE3 3.54Å; W157-W171 AromaticContact CZ3-CZ3 3.31Å; W157-W171 HydrophobicContact CZ3-CZ3 3.31Å; T167-W171 HydrophobicContact CG2-CD2 3.66Å; T167-W171 VanDerWaalsContact CG2-CE2 3.49Å; T167-W171 HydrophobicContact CG2-CE3 4.1Å; T167-W171 HydrophobicContact CG2-CG 4.06Å; T167-W171 HydrophobicContact CG2-CH2 4.2Å; T167-W171 HydrophobicContact CG2-CZ2 3.8Å; T167-W171 HydrophobicContact CG2-CZ3 4.34Å; T167-W171 WeakPolarHBondContact O-CB 3.47Å; T167-W171 PolarHBondContact O-N 3.22Å; Q168-W171 PolarHBondContact O-N 3.32Å; Q168-W171 VanDerWaalsContact O-N 3.13Å; W171-A174 CarbonylContact O-C 3.58Å; W171-A174 PolarHBondContact O-N 2.6Å; W171-R175 PolarHBondContact O-N 2.84Å; W171-E176 HydrophobicContact CB-CB 3.94Å; W171-E176 HydrophobicContact CB-CG 3.99Å; W171-E176 HydrophobicContact CD2-CG 4.45Å; W171-E176 HydrophobicContact CG-CB 4.11Å; W171-E176 HydrophobicContact CG-CG 3.85Å; W171-E176 PolarHBondContact O-N 3.1Å
172	E	98.6	Very high	98.3	Very high	94 Å²	94	75.3 Å²	75.3	44%	0.439	37%	0.366	S	S	.	.	H	α-helix	trans	-64.2	-46.8	171.8	-73.3	169.4	174.5	0	0	111	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.32Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.22Å; Q168-E172 PolarHBondContact NE2-OE1 3.04Å; Q168-E172 WeakPolarHBondContact O-CB 3.44Å; Q168-E172 WeakPolarHBondContact O-CG 3.44Å; Q168-E172 PolarHBondContact O-N 2.85Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 3.17Å; E172-R175 PolarHBondContact O-N 3.21Å
173	A	98.4	Very high	98.3	Very high	87 Å²	87	69.7 Å²	69.7	72%	0.719	34%	0.341	S	S	*	.	H	α-helix	trans	-61.1	-35.8	175.9	0	0	0	0	0	112.7	R169 R175	R169-A173 VanDerWaalsContact O-CB 3.32Å; R169-A173 WeakPolarHBondContact O-CB 3.43Å; R169-A173 PolarHBondContact O-N 3.5Å; A173-R175 VanDerWaalsContact C-N 3.34Å
174	A	98.1	Very high	98.3	Very high	57 Å²	57	69.5 Å²	69.5	47%	0.471	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-1.8	176.7	0	0	0	0	0	114.1	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.5Å; K170-A174 PolarHBondContact O-N 3.14Å; W171-A174 CarbonylContact O-C 3.58Å; W171-A174 PolarHBondContact O-N 2.6Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 3.17Å; A174-E176 HydrophobicContact CB-CG 4.18Å; A174-E176 PolarHBondContact O-N 3.19Å
175	R	97.9	Very high	98.3	Very high	159 Å²	159	73.6 Å²	73.6	60%	0.6	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	37.7	-176.2	-56.6	-179.7	175.9	-155.7	4.1	113.9	W171 E172 A173 A177 E178	W171-R175 PolarHBondContact O-N 2.84Å; E172-R175 PolarHBondContact O-N 3.21Å; A173-R175 VanDerWaalsContact C-N 3.34Å; R175-A177 PolarHBondContact O-N 3.03Å; R175-A177 VanDerWaalsContact O-N 3.16Å; R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 WeakPolarHBondContact CD-OE1 3.33Å; R175-E178 IonicContact NH1-OE1 3.53Å; R175-E178 WeakPolarHBondContact O-CB 3.48Å; R175-E178 PolarHBondContact O-N 2.88Å
176	E	97.8	Very high	98.3	Very high	40 Å²	40	71.1 Å²	71.1	19%	0.187	35%	0.353	C	S	.	.	H	α-helix	trans	-57.1	-33.4	-178.6	-77.6	-78.3	161.4	0	0	112.6	W157 W171 A174 E178 Q179 R180	W157-E176 HydrophobicContact CZ2-CB 4.18Å; W171-E176 HydrophobicContact CB-CB 3.94Å; W171-E176 HydrophobicContact CB-CG 3.99Å; W171-E176 HydrophobicContact CD2-CG 4.45Å; W171-E176 HydrophobicContact CG-CB 4.11Å; W171-E176 HydrophobicContact CG-CG 3.85Å; W171-E176 PolarHBondContact O-N 3.1Å; A174-E176 HydrophobicContact CB-CG 4.18Å; A174-E176 PolarHBondContact O-N 3.19Å; E176-E178 VanDerWaalsContact C-N 3.26Å; E176-E178 PolarHBondContact O-N 2.98Å; E176-Q179 PolarHBondContact O-N 3.31Å; E176-R180 WeakPolarHBondContact O-CG 3.13Å; E176-R180 PolarHBondContact O-N 3.07Å; E176-R180 IonicContact OE2-CZ 3.68Å; E176-R180 IonicContact OE2-NE 3.85Å; E176-R180 IonicContact OE2-NH2 2.81Å; E176-R180 PolarHBondContact OE2-NH2 3.23Å
177	A	98.4	Very high	98.2	Very high	9 Å²	9	70.7 Å²	70.7	7%	0.074	35%	0.353	C	S	.	.	H	α-helix	trans	-58.4	-37	178.1	0	0	0	0	0	112.4	L150 R155 W157 R175 Q179 R180 R181	L150-A177 HydrophobicContact CD1-CB 4.03Å; R155-A177 WeakPolarHBondContact O-CB 3.43Å; W157-A177 HydrophobicContact CZ2-CB 4.28Å; R175-A177 PolarHBondContact O-N 3.03Å; R175-A177 VanDerWaalsContact O-N 3.16Å; A177-Q179 VanDerWaalsContact C-N 3.35Å; A177-Q179 PolarHBondContact O-N 3.29Å; A177-R180 PolarHBondContact O-N 3.44Å; A177-R181 WeakPolarHBondContact O-CB 3.43Å; A177-R181 PolarHBondContact O-N 2.8Å
178	E	98.1	Very high	98.2	Very high	115 Å²	115	70 Å²	70	54%	0.537	35%	0.348	S	S	.	.	H	α-helix	trans	-62.8	-41.9	178.7	-63.6	178.6	-176.3	0	0	111.3	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 WeakPolarHBondContact CD-OE1 3.33Å; R175-E178 IonicContact NH1-OE1 3.53Å; R175-E178 WeakPolarHBondContact O-CB 3.48Å; R175-E178 PolarHBondContact O-N 2.88Å; E176-E178 VanDerWaalsContact C-N 3.26Å; E176-E178 PolarHBondContact O-N 2.98Å; E178-A182 WeakPolarHBondContact O-CB 3.33Å; E178-A182 PolarHBondContact O-N 3.31Å
179	Q	97.1	Very high	98.2	Very high	123 Å²	123	68.4 Å²	68.4	58%	0.575	34%	0.342	S	S	*	.	H	α-helix	trans	-68.3	-41.3	177.1	-62.2	-175.3	8.6	0	0	112.1	E176 A177 A182 Y183	E176-Q179 PolarHBondContact O-N 3.31Å; A177-Q179 VanDerWaalsContact C-N 3.35Å; A177-Q179 PolarHBondContact O-N 3.29Å; Q179-A182 PolarHBondContact O-N 2.7Å; Q179-Y183 PolarHBondContact O-N 2.85Å; Q179-Y183 VanDerWaalsContact O-N 3.12Å
180	R	98.1	Very high	98.2	Very high	65 Å²	65	66.9 Å²	66.9	25%	0.245	34%	0.341	C	S	.	.	H	α-helix	trans	-64.5	-44.5	176.8	-59.7	-58	164	-157.8	-9	110.9	R121 L150 W157 E176 A177 Y183 L184	R121-R180 VanDerWaalsContact NH2-NH1 3.17Å; L150-R180 HydrophobicContact CD2-CB 3.95Å; W157-R180 HydrophobicContact CH2-CG 4.25Å; E176-R180 WeakPolarHBondContact O-CG 3.13Å; E176-R180 PolarHBondContact O-N 3.07Å; E176-R180 IonicContact OE2-CZ 3.68Å; E176-R180 IonicContact OE2-NE 3.85Å; E176-R180 IonicContact OE2-NH2 2.81Å; E176-R180 PolarHBondContact OE2-NH2 3.23Å; A177-R180 PolarHBondContact O-N 3.44Å; R180-Y183 PolarHBondContact O-N 3.33Å; R180-L184 WeakPolarHBondContact O-CB 3.43Å; R180-L184 WeakPolarHBondContact O-CG 3.35Å; R180-L184 PolarHBondContact O-N 3.35Å
181	R	98.4	Very high	98.1	Very high	73 Å²	73	63.5 Å²	63.5	28%	0.275	33%	0.325	S	S	.	.	H	α-helix	trans	-59.2	-48.2	176	-175.8	173.1	179.8	-138.3	-13.4	111.9	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.08Å; L154-R181 HydrophobicContact CB-CG 3.87Å; L154-R181 HydrophobicContact CD1-CG 4.22Å; A177-R181 WeakPolarHBondContact O-CB 3.43Å; A177-R181 PolarHBondContact O-N 2.8Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 2.65Å; R181-L184 PolarHBondContact O-N 3.49Å; R181-L184 VanDerWaalsContact O-N 3.14Å; R181-E185 HydrophobicContact CG-CG 4.09Å; R181-E185 IonicContact CZ-OE1 3.3Å; R181-E185 VanDerWaalsContact CZ-OE1 3.3Å; R181-E185 IonicContact CZ-OE2 3.62Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 3.61Å; R181-E185 PolarHBondContact NE-OE1 2.85Å; R181-E185 IonicContact NE-OE2 2.76Å; R181-E185 PolarHBondContact NE-OE2 2.9Å; R181-E185 IonicContact NH2-OE1 2.94Å; R181-E185 PolarHBondContact NH2-OE1 3.41Å; R181-E185 IonicContact NH2-OE2 3.39Å; R181-E185 PolarHBondContact NH2-OE2 3Å; R181-E185 WeakPolarHBondContact O-CB 3.36Å; R181-E185 PolarHBondContact O-N 3.08Å
182	A	98.4	Very high	98.1	Very high	64 Å²	64	61 Å²	61	53%	0.529	32%	0.316	S	S	.	.	H	α-helix	trans	-58.6	-40.4	177.8	0	0	0	0	0	112.6	E178 Q179 G186	E178-A182 WeakPolarHBondContact O-CB 3.33Å; E178-A182 PolarHBondContact O-N 3.31Å; Q179-A182 PolarHBondContact O-N 2.7Å; A182-G186 PolarHBondContact O-N 3.21Å; A182-G186 VanDerWaalsContact O-N 3.12Å
183	Y	98.3	Very high	98	Very high	56 Å²	56	62.5 Å²	62.5	22%	0.22	32%	0.317	C	S	.	.	I	π-helix	trans	-66	-46.4	173.8	172.4	-95.4	0	0	0	112.3	Y123 Q179 R180 R181 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.81Å; Y123-Y183 HydrophobicContact CD2-CE1 3.81Å; Y123-Y183 AromaticContact CE2-CE1 3.66Å; Y123-Y183 HydrophobicContact CE2-CE1 3.66Å; Y123-Y183 AromaticContact CE2-CZ 3.91Å; Q179-Y183 PolarHBondContact O-N 2.85Å; Q179-Y183 VanDerWaalsContact O-N 3.12Å; R180-Y183 PolarHBondContact O-N 3.33Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 2.65Å; Y183-T187 HydrophobicContact CD2-CG2 3.91Å; Y183-T187 HydrophobicContact CE2-CG2 3.69Å; Y183-T187 PolarHBondContact O-N 3.03Å; Y183-T187 VanDerWaalsContact O-N 3.13Å; Y183-C188 HydrophobicContact CD1-CB 4.34Å; Y183-C188 HydrophobicContact CE1-CB 3.91Å; Y183-C188 WeakPolarHBondContact O-CB 3.44Å; Y183-C188 PolarHBondContact O-N 2.97Å
184	L	98.6	Very high	98	Very high	3 Å²	3	64 Å²	64	2%	0.016	31%	0.305	C	S	.	.	I	π-helix	trans	-70.3	-39.1	-174.7	-70.5	171.5	0	0	0	112.7	G124 L150 L154 R180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.2Å; L150-L184 HydrophobicContact CD2-CD1 3.98Å; L154-L184 HydrophobicContact CD2-CD1 3.99Å; R180-L184 WeakPolarHBondContact O-CB 3.43Å; R180-L184 WeakPolarHBondContact O-CG 3.35Å; R180-L184 PolarHBondContact O-N 3.35Å; R181-L184 PolarHBondContact O-N 3.49Å; R181-L184 VanDerWaalsContact O-N 3.14Å; L184-V189 WeakPolarHBondContact O-CG2 3.41Å
185	E	98.1	Very high	97.9	Very high	87 Å²	87	61.4 Å²	61.4	41%	0.407	28%	0.283	S	S	.	.	I	π-helix	trans	-79.5	-26.1	177.8	-68.5	-179.7	165.3	0	0	113	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.41Å; L133-E185 HydrophobicContact CD2-CG 3.71Å; L154-E185 HydrophobicContact CD1-CG 4.17Å; R181-E185 HydrophobicContact CG-CG 4.09Å; R181-E185 IonicContact CZ-OE1 3.3Å; R181-E185 VanDerWaalsContact CZ-OE1 3.3Å; R181-E185 IonicContact CZ-OE2 3.62Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 3.61Å; R181-E185 PolarHBondContact NE-OE1 2.85Å; R181-E185 IonicContact NE-OE2 2.76Å; R181-E185 PolarHBondContact NE-OE2 2.9Å; R181-E185 IonicContact NH2-OE1 2.94Å; R181-E185 PolarHBondContact NH2-OE1 3.41Å; R181-E185 IonicContact NH2-OE2 3.39Å; R181-E185 PolarHBondContact NH2-OE2 3Å; R181-E185 WeakPolarHBondContact O-CB 3.36Å; R181-E185 PolarHBondContact O-N 3.08Å
186	G	97.9	Very high	97.8	Very high	23 Å²	23	54.5 Å²	54.5	24%	0.237	26%	0.257	C	S	.	.	I	π-helix	trans	-107.6	-89.8	-178.8	0	0	0	0	0	112.5	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.21Å; A182-G186 VanDerWaalsContact O-N 3.12Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 2.59Å; G186-V189 PolarHBondContact O-N 3.47Å; G186-V189 VanDerWaalsContact O-N 3.08Å; G186-E190 WeakPolarHBondContact O-CG 3.38Å; G186-E190 PolarHBondContact O-N 2.85Å
187	T	97.9	Very high	97.7	Very high	50 Å²	50	58.4 Å²	58.4	31%	0.307	28%	0.276	S	S	.	.	I	π-helix	trans	-53.3	-43.1	-170.6	-55.5	0	0	0	0	113.2	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.91Å; Y183-T187 HydrophobicContact CE2-CG2 3.69Å; Y183-T187 PolarHBondContact O-N 3.03Å; Y183-T187 VanDerWaalsContact O-N 3.13Å; T187-V189 PolarHBondContact O-N 2.91Å; T187-E190 PolarHBondContact O-N 3.12Å; T187-W191 VanDerWaalsContact CG2-CD1 3.45Å; T187-W191 WeakPolarHBondContact O-CB 3.43Å; T187-W191 PolarHBondContact O-N 2.86Å
188	C	98.4	Very high	97.6	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.7	-48.1	179.8	-169.9	0	0	0	0	111.5	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 WeakPolarHBondContact CE-O 3.35Å; M29-C188 WeakPolarHBondContact CE-SG 3.3Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.47Å; C125-C188 PolarHBondContact N-SG 3.02Å; C125-C188 WeakPolarHBondContact SG-CB 3.41Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.76Å; Y183-C188 HydrophobicContact CD1-CB 4.34Å; Y183-C188 HydrophobicContact CE1-CB 3.91Å; Y183-C188 WeakPolarHBondContact O-CB 3.44Å; Y183-C188 PolarHBondContact O-N 2.97Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 2.59Å; C188-W191 PolarHBondContact O-N 3.26Å; C188-L192 WeakPolarHBondContact O-CB 3.24Å; C188-L192 PolarHBondContact O-N 3.07Å
189	V	98.3	Very high	97.5	Very high	9 Å²	9	55 Å²	55	6%	0.055	26%	0.26	C	S	.	.	H	α-helix	trans	-61.9	-45.9	178.3	177	0	0	0	0	111.2	L127 L133 L184 G186 T187 L192 R193	L127-V189 HydrophobicContact CD1-CG1 4.47Å; L127-V189 HydrophobicContact CD2-CB 4.19Å; L127-V189 HydrophobicContact CD2-CG1 3.77Å; L127-V189 HydrophobicContact CD2-CG2 3.86Å; L133-V189 HydrophobicContact CB-CG2 4.08Å; L133-V189 HydrophobicContact CD1-CG2 4.08Å; L184-V189 WeakPolarHBondContact O-CG2 3.41Å; G186-V189 PolarHBondContact O-N 3.47Å; G186-V189 VanDerWaalsContact O-N 3.08Å; T187-V189 PolarHBondContact O-N 2.91Å; V189-L192 PolarHBondContact O-N 2.87Å; V189-R193 WeakPolarHBondContact O-CG 3.37Å; V189-R193 PolarHBondContact O-N 3.31Å
190	E	98	Very high	97.3	Very high	123 Å²	123	54.3 Å²	54.3	58%	0.575	26%	0.255	S	S	*	.	H	α-helix	trans	-60.7	-46.9	179.5	-71.1	173.8	174.2	0	0	112.1	G186 T187 R194	G186-E190 WeakPolarHBondContact O-CG 3.38Å; G186-E190 PolarHBondContact O-N 2.85Å; T187-E190 PolarHBondContact O-N 3.12Å; E190-R194 PolarHBondContact O-N 2.61Å; E190-R194 VanDerWaalsContact O-N 3.08Å
191	W	98	Very high	96.9	Very high	45 Å²	45	60.8 Å²	60.8	17%	0.17	29%	0.285	C	S	.	.	H	α-helix	trans	-69	-41.1	179.5	-82.5	98.2	0	0	0	112.3	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.06Å; M29-W191 HydrophobicContact SD-CB 4.44Å; Y83-W191 AromaticContact CD2-CH2 3.45Å; Y83-W191 HydrophobicContact CD2-CH2 3.45Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.45Å; Y83-W191 HydrophobicContact CD2-CZ2 4.18Å; Y83-W191 AromaticContact CD2-CZ3 3.74Å; Y83-W191 HydrophobicContact CD2-CZ3 3.74Å; Y83-W191 HydrophobicContact CE2-CE3 4.2Å; Y83-W191 AromaticContact CE2-CH2 3.78Å; Y83-W191 HydrophobicContact CE2-CH2 3.78Å; Y83-W191 HydrophobicContact CE2-CZ2 4.41Å; Y83-W191 AromaticContact CE2-CZ3 3.64Å; Y83-W191 HydrophobicContact CE2-CZ3 3.64Å; T187-W191 VanDerWaalsContact CG2-CD1 3.45Å; T187-W191 WeakPolarHBondContact O-CB 3.43Å; T187-W191 PolarHBondContact O-N 2.86Å; C188-W191 PolarHBondContact O-N 3.26Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 3.2Å; W191-R194 WeakPolarHBondContact O-CB 3.38Å; W191-R194 PolarHBondContact O-N 2.86Å; W191-Y195 HydrophobicContact CB-CE2 4.03Å; W191-Y195 HydrophobicContact CE3-CD1 4.41Å; W191-Y195 AromaticContact CE3-CE1 3.53Å; W191-Y195 HydrophobicContact CE3-CE1 3.53Å; W191-Y195 HydrophobicContact CE3-CE2 4.17Å; W191-Y195 AromaticContact CE3-CZ 3.38Å; W191-Y195 AromaticContact CZ3-CE1 3.89Å; W191-Y195 HydrophobicContact CZ3-CE1 3.89Å; W191-Y195 VanDerWaalsContact O-CD2 3.23Å; W191-Y195 WeakPolarHBondContact O-CD2 3.17Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 2.82Å
192	L	98.1	Very high	96.5	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.4	-44.7	176.2	175.2	50.4	0	0	0	111.1	H27 M29 V52 L127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.48Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.97Å; M29-L192 HydrophobicContact CB-CG 4.24Å; M29-L192 HydrophobicContact CE-CB 4.29Å; M29-L192 HydrophobicContact SD-CB 4.5Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.27Å; L127-L192 HydrophobicContact CB-CD2 4.48Å; L127-L192 HydrophobicContact CD1-CB 4.24Å; L127-L192 HydrophobicContact CD1-CD2 3.68Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.23Å; C188-L192 WeakPolarHBondContact O-CB 3.24Å; C188-L192 PolarHBondContact O-N 3.07Å; V189-L192 PolarHBondContact O-N 2.87Å; L192-R194 VanDerWaalsContact C-N 3.35Å; L192-R194 PolarHBondContact O-N 2.85Å; L192-Y195 PolarHBondContact O-N 2.93Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.01Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.37Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.34Å; L192-L196 PolarHBondContact O-N 2.74Å
193	R	96.8	Very high	96.1	Very high	124 Å²	124	56.8 Å²	56.8	47%	0.468	26%	0.262	S	S	.	.	H	α-helix	trans	-59.2	-44	174.2	-72.1	174.8	-177.6	167.7	-0.7	112.5	L127 G131 V189 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.98Å; G131-R193 PolarHBondContact O-NE 2.63Å; G131-R193 VanDerWaalsContact O-NE 3.12Å; G131-R193 PolarHBondContact O-NH2 3.19Å; V189-R193 WeakPolarHBondContact O-CG 3.37Å; V189-R193 PolarHBondContact O-N 3.31Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 3.2Å; R193-L196 PolarHBondContact O-N 3.1Å; R193-E197 PolarHBondContact O-N 3Å
194	R	96.9	Very high	95.6	Very high	120 Å²	120	58.4 Å²	58.4	45%	0.453	27%	0.272	S	S	.	.	H	α-helix	trans	-60.7	-44.8	176.4	178.5	179.2	174.8	121.1	-4.4	111.5	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 2.72Å; E79-R194 IonicContact OE1-NE 2.65Å; E79-R194 PolarHBondContact OE1-NE 3.16Å; E79-R194 IonicContact OE1-NH2 3.29Å; E79-R194 PolarHBondContact OE1-NH2 3.41Å; E79-R194 IonicContact OE2-CZ 3.54Å; E79-R194 IonicContact OE2-NE 3.63Å; E79-R194 IonicContact OE2-NH2 3.39Å; E79-R194 PolarHBondContact OE2-NH2 3.31Å; E190-R194 PolarHBondContact O-N 2.61Å; E190-R194 VanDerWaalsContact O-N 3.08Å; W191-R194 WeakPolarHBondContact O-CB 3.38Å; W191-R194 PolarHBondContact O-N 2.86Å; L192-R194 VanDerWaalsContact C-N 3.35Å; L192-R194 PolarHBondContact O-N 2.85Å; R194-E197 PolarHBondContact O-N 3.17Å; R194-N198 WeakPolarHBondContact O-CB 3.29Å; R194-N198 PolarHBondContact O-N 2.76Å; R194-N198 PolarHBondContact O-OD1 2.72Å
195	Y	97.3	Very high	95.2	Very high	1 Å²	1	62 Å²	62	0%	0.004	29%	0.285	C	S	.	.	H	α-helix	trans	-67.4	-39.2	178.8	-62.4	-33.7	0	0	0	112.5	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.76Å; M29-Y195 HydrophobicContact SD-CE2 3.58Å; M29-Y195 VanDerWaalsContact SD-CE2 3.58Å; V52-Y195 HydrophobicContact CG2-CD2 3.95Å; V52-Y195 HydrophobicContact CG2-CG 4.43Å; F57-Y195 AromaticContact CE2-CE2 3.84Å; F57-Y195 HydrophobicContact CE2-CE2 3.84Å; F57-Y195 AromaticContact CE2-CZ 3.96Å; F57-Y195 HydrophobicContact CZ-CD2 4.44Å; F57-Y195 AromaticContact CZ-CE2 3.87Å; F57-Y195 HydrophobicContact CZ-CE2 3.87Å; W75-Y195 HydrophobicContact CE3-CD1 4.24Å; W75-Y195 HydrophobicContact CH2-CG 4.17Å; W75-Y195 AromaticContact CZ3-CD1 3.59Å; W75-Y195 HydrophobicContact CZ3-CD1 3.59Å; W75-Y195 HydrophobicContact CZ3-CD2 4.35Å; W75-Y195 HydrophobicContact CZ3-CE1 4.31Å; W75-Y195 AromaticContact CZ3-CG 3.61Å; W75-Y195 HydrophobicContact CZ3-CG 3.61Å; V76-Y195 HydrophobicContact CG2-CE1 4.25Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.27Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.29Å; Y83-Y195 PolarHBondContact OH-OH 3.36Å; W191-Y195 HydrophobicContact CB-CE2 4.03Å; W191-Y195 HydrophobicContact CE3-CD1 4.41Å; W191-Y195 AromaticContact CE3-CE1 3.53Å; W191-Y195 HydrophobicContact CE3-CE1 3.53Å; W191-Y195 HydrophobicContact CE3-CE2 4.17Å; W191-Y195 AromaticContact CE3-CZ 3.38Å; W191-Y195 AromaticContact CZ3-CE1 3.89Å; W191-Y195 HydrophobicContact CZ3-CE1 3.89Å; W191-Y195 VanDerWaalsContact O-CD2 3.23Å; W191-Y195 WeakPolarHBondContact O-CD2 3.17Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 2.82Å; L192-Y195 PolarHBondContact O-N 2.93Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 3.05Å; Y195-N198 PolarHBondContact O-N 2.91Å; Y195-G199 WeakPolarHBondContact O-CA 3Å; Y195-G199 PolarHBondContact O-N 2.75Å; Y195-L203 WeakPolarHBondContact O-CD1 3.48Å
196	L	95.8	Very high	94.9	Very high	14 Å²	14	59.8 Å²	59.8	7%	0.073	28%	0.282	C	S	.	.	H	α-helix	trans	-62	-37.7	174.4	-72	169.9	0	0	0	112.1	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.72Å; H27-L196 HydrophobicContact CB-CD2 4.04Å; H27-L196 HydrophobicContact CB-CG 4.46Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.42Å; V52-L196 HydrophobicContact CG1-CD2 4.09Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.01Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.37Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.34Å; L192-L196 PolarHBondContact O-N 2.74Å; R193-L196 PolarHBondContact O-N 3.1Å; L196-K200 WeakPolarHBondContact O-CA 3.37Å; L196-K200 WeakPolarHBondContact O-CB 3.4Å; L196-K200 PolarHBondContact O-N 2.99Å; L196-L203 HydrophobicContact CD2-CB 4.13Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; L196-Q204 PolarHBondContact O-NE2 3.22Å
197	E	95.6	Very high	94.7	Very high	123 Å²	123	61.7 Å²	61.7	58%	0.575	29%	0.285	S	S	*	.	H	α-helix	trans	-70.4	-48.5	175	-171.5	57.9	-147.4	0	0	111.4	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3Å; R194-E197 PolarHBondContact O-N 3.17Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 3.05Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 3.05Å; E197-K200 WeakPolarHBondContact O-CB 3.48Å; E197-K200 PolarHBondContact O-N 3.38Å
198	N	96.4	Very high	94.5	Very high	51 Å²	51	65 Å²	65	27%	0.273	30%	0.296	S	S	.	.	H	α-helix	trans	-59.5	-41.9	178.3	-69.6	-7.1	0	0	0	112.3	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.43Å; Q78-N198 VanDerWaalsContact NE2-CB 3.27Å; Q78-N198 PolarHBondContact NE2-ND2 3.46Å; Q78-N198 PolarHBondContact NE2-OD1 2.94Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.13Å; E79-N198 PolarHBondContact OE1-ND2 3.48Å; R194-N198 WeakPolarHBondContact O-CB 3.29Å; R194-N198 PolarHBondContact O-N 2.76Å; R194-N198 PolarHBondContact O-OD1 2.72Å; Y195-N198 PolarHBondContact O-N 2.91Å
199	G	95.1	Very high	94.5	Very high	1 Å²	1	65.3 Å²	65.3	1%	0.01	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	15.8	-176.4	0	0	0	0	0	113.9	Y195 E197 K201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3Å; Y195-G199 PolarHBondContact O-N 2.75Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 3.05Å; G199-K201 PolarHBondContact O-N 2.77Å; G199-T202 PolarHBondContact O-N 3.44Å; G199-T202 PolarHBondContact O-OG1 3.01Å; G199-L203 PolarHBondContact O-N 3.08Å
200	K	92.9	Very high	94.5	Very high	109 Å²	109	72.2 Å²	72.2	47%	0.474	33%	0.328	S	S	.	.	H	α-helix	trans	-48.5	-42.3	-170.8	-175.3	170.5	-172.8	169.2	0	114.3	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.37Å; L196-K200 WeakPolarHBondContact O-CB 3.4Å; L196-K200 PolarHBondContact O-N 2.99Å; E197-K200 WeakPolarHBondContact O-CB 3.48Å; E197-K200 PolarHBondContact O-N 3.38Å; K200-T202 VanDerWaalsContact C-N 3.26Å; K200-T202 PolarHBondContact O-N 3.32Å; K200-Q204 WeakPolarHBondContact O-CB 3.45Å; K200-Q204 PolarHBondContact O-N 3.04Å
201	K	90.6	Very high	94.4	Very high	200 Å²	200	68 Å²	68	87%	0.87	31%	0.311	S	S	*	.	H	α-helix	trans	-66.5	-23.8	179.7	-66	-176.5	-180	178.3	0	114.2	G199	G199-K201 PolarHBondContact O-N 2.77Å
202	T	89.4	Confident	94.4	Very high	49 Å²	49	69.6 Å²	69.6	30%	0.301	32%	0.32	S	S	.	.	H	α-helix	trans	-109	-36.9	-175.4	16.4	0	0	0	0	113.1	G199 K200 R205	G199-T202 PolarHBondContact O-N 3.44Å; G199-T202 PolarHBondContact O-OG1 3.01Å; K200-T202 VanDerWaalsContact C-N 3.26Å; K200-T202 PolarHBondContact O-N 3.32Å; T202-R205 WeakPolarHBondContact O-CD 3.35Å; T202-R205 VanDerWaalsContact O-CG 3.32Å; T202-R205 WeakPolarHBondContact O-CG 3.42Å; T202-R205 PolarHBondContact O-NE 3.18Å
203	L	90.4	Very high	94.4	Very high	4 Å²	4	70.8 Å²	70.8	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-88.2	-31.3	-175.9	-63.1	172.7	0	0	0	112.9	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.12Å; V52-L203 HydrophobicContact CG1-CD1 3.86Å; V52-L203 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CG1-CG 4.48Å; T55-L203 HydrophobicContact CG2-CD2 4.11Å; W75-L203 HydrophobicContact CD2-CD1 4.44Å; W75-L203 HydrophobicContact CH2-CD1 4.39Å; W75-L203 HydrophobicContact CZ2-CD1 3.87Å; W75-L203 HydrophobicContact CZ2-CD2 4.09Å; W75-L203 HydrophobicContact CZ2-CG 4.39Å; Y195-L203 WeakPolarHBondContact O-CD1 3.48Å; L196-L203 HydrophobicContact CD2-CB 4.13Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; G199-L203 PolarHBondContact O-N 3.08Å
204	Q	87.9	Confident	94.4	Very high	91 Å²	91	66.5 Å²	66.5	43%	0.425	32%	0.315	S	S	.	.	S	Bend	trans	-102.5	24.9	178.2	-57.5	176.4	20.9	0	0	111.8	L196 K200	L196-Q204 PolarHBondContact O-NE2 3.22Å; K200-Q204 WeakPolarHBondContact O-CB 3.45Å; K200-Q204 PolarHBondContact O-N 3.04Å
205	R	89.5	Confident	94.3	Very high	77 Å²	77	63.4 Å²	63.4	29%	0.291	31%	0.305	S	S	.	.			trans	-94.7	145.9	170.2	78	-172	166.3	168.7	-2.3	108.5	T202 E207 Y233	T202-R205 WeakPolarHBondContact O-CD 3.35Å; T202-R205 VanDerWaalsContact O-CG 3.32Å; T202-R205 WeakPolarHBondContact O-CG 3.42Å; T202-R205 PolarHBondContact O-NE 3.18Å; R205-E207 WeakPolarHBondContact CD-OE1 3.24Å; R205-E207 HydrophobicContact CG-CG 4.44Å; R205-E207 IonicContact CZ-OE1 3.02Å; R205-E207 IonicContact NE-OE1 2.76Å; R205-E207 PolarHBondContact NE-OE1 3.37Å; R205-E207 IonicContact NH1-OE1 3.39Å; R205-E207 PolarHBondContact NH1-OE1 3.34Å; R205-E207 IonicContact NH2-OE1 2.63Å; R205-Y233 HydrophobicContact CG-CD1 4.13Å; R205-Y233 WeakPolarHBondContact O-CD1 3.45Å
206	A	91.4	Very high	94.2	Very high	41 Å²	41	67.2 Å²	67.2	34%	0.339	32%	0.323	S	S	.	.			trans	-117.5	119.1	163.7	0	0	0	0	0	108.1	Y233	A206-Y233 CarbonylContact C-O 3.53Å; A206-Y233 WeakPolarHBondContact CA-O 3.37Å
207	E	93.6	Very high	94.1	Very high	64 Å²	64	71.2 Å²	71.2	30%	0.299	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-98.2	117.3	174.3	-66.2	-172.7	-158.5	0	0	108	R205 F232 Y233 T264 H287	R205-E207 WeakPolarHBondContact CD-OE1 3.24Å; R205-E207 HydrophobicContact CG-CG 4.44Å; R205-E207 IonicContact CZ-OE1 3.02Å; R205-E207 IonicContact NE-OE1 2.76Å; R205-E207 PolarHBondContact NE-OE1 3.37Å; R205-E207 IonicContact NH1-OE1 3.39Å; R205-E207 PolarHBondContact NH1-OE1 3.34Å; R205-E207 IonicContact NH2-OE1 2.63Å; E207-F232 WeakPolarHBondContact O-CA 3.4Å; E207-F232 WeakPolarHBondContact O-CB 3.25Å; E207-Y233 PolarHBondContact N-O 3.12Å; E207-Y233 PolarHBondContact O-N 3.3Å; E207-T264 WeakPolarHBondContact OE2-CG2 3.47Å; E207-H287 PolarHBondContact O-CE1 3.25Å; E207-H287 VanDerWaalsContact O-CE1 3.24Å
208	H	94.9	Very high	93.9	Very high	118 Å²	118	69.8 Å²	69.8	55%	0.546	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-70.4	144.4	-177.8	31.3	-99.3	0	0	0	112.1	K210 L290	H208-K210 PolarHBondContact O-N 3.3Å; H208-L290 HydrophobicContact CB-CD2 3.85Å; H208-L290 HydrophobicContact CB-CG 4.45Å
209	P	97.4	Very high	93.7	Very high	8 Å²	8	70 Å²	70	5%	0.052	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-66.9	131.4	179	28.2	-35.1	0	0	0	111.5	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.9Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 3.32Å; P209-A229 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CD1 3.9Å; P209-F232 HydrophobicContact CB-CG 4.15Å; P209-I237 HydrophobicContact CB-CD1 4.01Å; P209-I237 HydrophobicContact CG-CD1 4.1Å; P209-V285 HydrophobicContact CG-CG1 3.96Å; P209-H287 HydrophobicContact CG-CB 4.08Å; P209-L290 HydrophobicContact CG-CD1 3.81Å; P209-L290 HydrophobicContact CG-CD2 4.38Å; P209-L290 HydrophobicContact CG-CG 4.17Å
210	K	97.7	Very high	93.4	Very high	153 Å²	153	77 Å²	77	67%	0.665	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	110.7	164	-64.8	172.5	-172.8	166.9	0	107.8	H208 L230	H208-K210 PolarHBondContact O-N 3.3Å; K210-L230 PolarHBondContact N-O 2.79Å; K210-L230 PolarHBondContact O-N 3.5Å
211	T	97.6	Very high	93.4	Very high	35 Å²	35	78.8 Å²	78.8	22%	0.215	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	145.4	-172.2	58.6	0	0	0	0	112.8	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.9Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 3.32Å; T211-W228 WeakPolarHBondContact CA-O 3.43Å; T211-W228 WeakPolarHBondContact CB-O 3.42Å; T211-A229 HydrophobicContact CG2-CB 4.25Å; T211-V285 HydrophobicContact CG2-CB 4.45Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.07Å; T211-L294 HydrophobicContact CG2-CD1 4.41Å; T211-L296 VanDerWaalsContact CB-CD1 3.47Å; T211-L296 HydrophobicContact CG2-CD1 4.18Å
212	H	96.7	Very high	93.6	Very high	79 Å²	79	73.7 Å²	73.7	37%	0.366	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	158.9	172.7	63	-75.2	0	0	0	110.4	W228	H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.35Å; H212-W228 AromaticContact CE1-CD1 3.94Å; H212-W228 AromaticContact CE1-CG 3.69Å; H212-W228 PolarHBondContact N-O 2.76Å; H212-W228 AromaticContact NE2-CD1 3.51Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 2.91Å
213	V	98	Very high	93.9	Very high	25 Å²	25	71.4 Å²	71.4	15%	0.152	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128	176.2	-177.5	0	0	0	0	109.2	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.37Å; V213-L225 HydrophobicContact CG1-CD2 4.43Å; V213-R226 WeakPolarHBondContact CA-O 3.33Å; V213-C227 HydrophobicContact CG2-CB 4.44Å; V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.29Å; V213-W241 HydrophobicContact CG2-CH2 4.34Å; V213-L296 HydrophobicContact CG2-CB 3.85Å; V213-W298 HydrophobicContact CB-CB 4.45Å; V213-W298 HydrophobicContact CG1-CB 3.82Å
214	T	96.6	Very high	94.2	Very high	34 Å²	34	72.3 Å²	72.3	21%	0.209	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	149.1	174.9	53.1	0	0	0	0	110	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 3.04Å; T214-H216 VanDerWaalsContact OG1-CE1 3.31Å; T214-L225 WeakPolarHBondContact O-CA 3.46Å; T214-R226 PolarHBondContact N-O 3.15Å; T214-R226 PolarHBondContact O-N 3.05Å; T214-R226 WeakPolarHBondContact OG1-CB 3.43Å; T214-R226 PolarHBondContact OG1-O 3.01Å; T214-R226 VanDerWaalsContact OG1-O 3.08Å; T214-W228 PolarHBondContact OG1-NE1 2.68Å
215	H	95.5	Very high	94.7	Very high	54 Å²	54	68 Å²	68	25%	0.25	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126.7	-178.4	167.9	-90.5	0	0	0	109.8	A223 T224 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.47Å; H215-T224 WeakPolarHBondContact CA-O 3.44Å; H215-L225 HydrophobicContact CB-CD2 3.97Å; H215-E278 IonicContact NE2-OE1 3.44Å; H215-W298 HydrophobicContact CB-CD2 4.13Å; H215-W298 VanDerWaalsContact CB-CE2 3.43Å; H215-W298 HydrophobicContact CB-CG 4.15Å; H215-W298 HydrophobicContact CB-CZ2 3.88Å; H215-W298 AromaticContact CD2-CE2 3.76Å; H215-W298 AromaticContact CD2-CH2 3.88Å; H215-W298 AromaticContact CD2-CZ2 3.62Å; H215-W298 AromaticContact CE1-CZ2 3.9Å; H215-W298 AromaticContact CG-CE2 3.54Å; H215-W298 AromaticContact CG-CZ2 3.48Å; H215-W298 VanDerWaalsContact CG-CZ2 3.48Å; H215-W298 AromaticContact CG-NE1 3.76Å; H215-W298 AromaticContact ND1-CZ2 3.68Å; H215-W298 AromaticContact NE2-CH2 3.86Å; H215-W298 AromaticContact NE2-CZ2 3.9Å
216	H	94.4	Very high	95.1	Very high	81 Å²	81	66.7 Å²	66.7	38%	0.375	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	105	-178.3	-56.7	83.8	0	0	0	108.5	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 3.04Å; T214-H216 VanDerWaalsContact OG1-CE1 3.31Å; H216-V218 PolarHBondContact O-N 3.3Å; H216-A223 CarbonylContact O-C 3.49Å; H216-A223 WeakPolarHBondContact O-CA 3.21Å; H216-T224 PolarHBondContact N-O 3.26Å; H216-T224 PolarHBondContact O-N 2.86Å; H216-R226 PolarHBondContact CE1-NH1 3.38Å; H216-R226 VanDerWaalsContact CE1-NH1 3.31Å
217	P	93.6	Very high	95.4	Very high	99 Å²	99	64.8 Å²	64.8	64%	0.643	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.7	131.6	172.5	-19.9	30.3	0	0	0	110.3
218	V	91.6	Very high	95.6	Very high	93 Å²	93	64 Å²	64	56%	0.564	33%	0.326	S	S	*	.			trans	-104.5	-40.8	176	-178.8	0	0	0	0	110	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.3Å; V218-E222 PolarHBondContact N-O 2.92Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.27Å
219	S	92.3	Very high	95.8	Very high	54 Å²	54	58.4 Å²	58.4	38%	0.378	30%	0.3	S	S	.	.	S	Bend	trans	-148.5	-177.8	175	71.6	0	0	0	0	110.6	H221 E222	S219-H221 PolarHBondContact O-N 2.71Å; S219-H221 PolarHBondContact OG-N 3.35Å; S219-E222 PolarHBondContact N-O 2.88Å; S219-E222 VanDerWaalsContact O-O 3.11Å; S219-E222 PolarHBondContact OG-N 3.41Å
220	D	89.3	Confident	95.8	Very high	150 Å²	150	60.7 Å²	60.7	80%	0.802	31%	0.311	S	S	*	.	S	Bend	trans	-66.6	-10.2	172.7	-65.4	-23.5	0	0	0	113.3
221	H	92.5	Very high	95.8	Very high	146 Å²	146	54.3 Å²	54.3	68%	0.676	29%	0.289	S	S	*	.	S	Bend	trans	-115.8	-15.9	-175.9	-56.5	-44.4	0	0	0	113.5	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.71Å; S219-H221 PolarHBondContact OG-N 3.35Å; H221-P274 CarbonylContact O-C 3.58Å; H221-P274 WeakPolarHBondContact O-CA 3.3Å; H221-S275 PolarHBondContact O-N 3.31Å; H221-S275 PolarHBondContact O-OG 2.63Å
222	E	95	Very high	95.8	Very high	93 Å²	93	52.7 Å²	52.7	44%	0.435	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	145	-171.4	-66.3	-178.7	164.9	0	0	112.4	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.92Å; S219-E222 PolarHBondContact N-O 2.88Å; S219-E222 VanDerWaalsContact O-O 3.11Å; S219-E222 PolarHBondContact OG-N 3.41Å; E222-V272 HydrophobicContact CB-CG1 4.09Å; E222-V272 HydrophobicContact CG-CG1 4.31Å; E222-V273 WeakPolarHBondContact CA-O 3.46Å; E222-S275 PolarHBondContact N-OG 2.96Å
223	A	95.4	Very high	95.7	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.008	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	155.1	171.3	0	0	0	0	0	110.9	H215 H216 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.47Å; H216-A223 CarbonylContact O-C 3.49Å; H216-A223 WeakPolarHBondContact O-CA 3.21Å; A223-V273 HydrophobicContact CB-CG2 4.48Å; A223-V273 PolarHBondContact N-O 2.88Å; A223-V273 WeakPolarHBondContact O-CG2 3.05Å; A223-V273 PolarHBondContact O-N 3.4Å
224	T	97.2	Very high	95.6	Very high	22 Å²	22	48.7 Å²	48.7	14%	0.135	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	120.6	170.5	-53.9	0	0	0	0	109.8	H215 H216 V218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.44Å; H216-T224 PolarHBondContact N-O 3.26Å; H216-T224 PolarHBondContact O-N 2.86Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.27Å; T224-A270 HydrophobicContact CG2-CB 3.91Å; T224-V271 WeakPolarHBondContact CA-O 3.4Å
225	L	97.8	Very high	95.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	126	165.6	-63.4	-176.1	0	0	0	109.1	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.37Å; V213-L225 HydrophobicContact CG1-CD2 4.43Å; T214-L225 WeakPolarHBondContact O-CA 3.46Å; H215-L225 HydrophobicContact CB-CD2 3.97Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.78Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.02Å; L225-W241 HydrophobicContact CD1-CZ3 4.19Å; L225-A270 CarbonylContact O-C 3.57Å; L225-A270 WeakPolarHBondContact O-CA 3.17Å; L225-V271 HydrophobicContact CB-CG1 4.28Å; L225-V271 PolarHBondContact N-O 2.8Å; L225-V271 PolarHBondContact O-N 2.88Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.05Å; L225-V273 HydrophobicContact CG-CG1 4.17Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; L225-E278 HydrophobicContact CD1-CB 4.09Å; L225-E278 HydrophobicContact CD2-CB 4.5Å; L225-E278 HydrophobicContact CD2-CG 4.36Å; L225-W298 HydrophobicContact CD1-CB 4.34Å; L225-W298 HydrophobicContact CD2-CB 3.76Å; L225-W298 HydrophobicContact CD2-CD2 4.18Å; L225-W298 HydrophobicContact CD2-CG 3.81Å
226	R	98.1	Very high	95.6	Very high	51 Å²	51	52.1 Å²	52.1	19%	0.192	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	117	176.4	-178.9	-177.8	-61.9	115.9	3.2	110.6	V213 T214 H216 W228 W268 A269 A270	V213-R226 WeakPolarHBondContact CA-O 3.33Å; T214-R226 PolarHBondContact N-O 3.15Å; T214-R226 PolarHBondContact O-N 3.05Å; T214-R226 WeakPolarHBondContact OG1-CB 3.43Å; T214-R226 PolarHBondContact OG1-O 3.01Å; T214-R226 VanDerWaalsContact OG1-O 3.08Å; H216-R226 PolarHBondContact CE1-NH1 3.38Å; H216-R226 VanDerWaalsContact CE1-NH1 3.31Å; R226-W228 VanDerWaalsContact CD-CE2 3.42Å; R226-W228 VanDerWaalsContact CD-CZ2 3.4Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.1Å; R226-W268 HydrophobicContact CG-CE3 3.87Å; R226-W268 HydrophobicContact CG-CG 4.21Å; R226-A269 WeakPolarHBondContact CA-O 3.43Å; R226-A270 HydrophobicContact CB-CB 4.01Å; R226-A270 HydrophobicContact CG-CB 4.14Å
227	C	98.3	Very high	95.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	122.1	175.6	-173.6	0	0	0	0	109.6	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.44Å; C227-W241 HydrophobicContact CB-CZ2 3.65Å; C227-W268 CarbonylContact O-C 3.56Å; C227-W268 WeakPolarHBondContact O-CA 3.34Å; C227-W268 WeakPolarHBondContact O-CB 3.4Å; C227-A269 PolarHBondContact N-O 3.36Å; C227-A269 PolarHBondContact O-N 3.34Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.39Å; C227-C283 WeakPolarHBondContact SG-CB 3.39Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.84Å
228	W	98.4	Very high	95.8	Very high	49 Å²	49	46.9 Å²	46.9	19%	0.186	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	142.3	179.9	-70	90	0	0	0	110.6	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.43Å; T211-W228 WeakPolarHBondContact CB-O 3.42Å; H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.35Å; H212-W228 AromaticContact CE1-CD1 3.94Å; H212-W228 AromaticContact CE1-CG 3.69Å; H212-W228 PolarHBondContact N-O 2.76Å; H212-W228 AromaticContact NE2-CD1 3.51Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 2.91Å; T214-W228 PolarHBondContact OG1-NE1 2.68Å; R226-W228 VanDerWaalsContact CD-CE2 3.42Å; R226-W228 VanDerWaalsContact CD-CZ2 3.4Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; W228-L230 HydrophobicContact CE3-CD2 3.89Å; W228-L230 HydrophobicContact CZ3-CD2 4.43Å; W228-W268 HydrophobicContact CD2-CB 3.94Å; W228-W268 HydrophobicContact CD2-CG 4.44Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.84Å; W228-W268 HydrophobicContact CE3-CG 4.16Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.61Å; W228-W268 HydrophobicContact CH2-CG 4.25Å; W228-W268 HydrophobicContact CZ3-CB 4.29Å; W228-W268 AromaticContact CZ3-CD1 3.38Å; W228-W268 HydrophobicContact CZ3-CG 4.08Å
229	A	98.4	Very high	96.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.6	162.4	0	0	0	0	0	107.9	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.86Å; T211-A229 HydrophobicContact CG2-CB 4.25Å; A229-F232 HydrophobicContact CB-CD1 4.05Å; A229-F232 HydrophobicContact CB-CE1 3.8Å; A229-F232 WeakPolarHBondContact O-CE1 3Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; A229-L239 HydrophobicContact CB-CD1 4.04Å; A229-L239 HydrophobicContact CB-CD2 4.18Å; A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.37Å; A229-K267 PolarHBondContact N-O 2.95Å; A229-K267 PolarHBondContact O-N 3.12Å; A229-K267 VanDerWaalsContact O-O 3.09Å
230	L	98.2	Very high	96.4	Very high	55 Å²	55	42 Å²	42	29%	0.288	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	147.3	-174.7	-58.6	177.1	0	0	0	111.1	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 2.79Å; K210-L230 PolarHBondContact O-N 3.5Å; W228-L230 HydrophobicContact CE3-CD2 3.89Å; W228-L230 HydrophobicContact CZ3-CD2 4.43Å; L230-F232 PolarHBondContact O-N 2.86Å; L230-Q266 HydrophobicContact CD2-CB 3.58Å
231	G	97.3	Very high	96.8	Very high	20 Å²	20	35 Å²	35	21%	0.206	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.3	34.8	168.2	0	0	0	0	0	113.7	F265	G231-F265 PolarHBondContact N-O 2.95Å
232	F	97	Very high	97	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	155.2	179.6	59.1	-90.4	0	0	0	112.5	E207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.4Å; E207-F232 WeakPolarHBondContact O-CB 3.25Å; P209-F232 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CD1 3.9Å; P209-F232 HydrophobicContact CB-CG 4.15Å; A229-F232 HydrophobicContact CB-CD1 4.05Å; A229-F232 HydrophobicContact CB-CE1 3.8Å; A229-F232 WeakPolarHBondContact O-CE1 3Å; L230-F232 PolarHBondContact O-N 2.86Å; F232-P234 WeakPolarHBondContact CD2-O 3.47Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CE1-CD1 3.8Å; F232-I237 HydrophobicContact CE1-CG2 4.44Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.42Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.85Å; F232-I237 HydrophobicContact CZ-CG2 3.53Å; F232-T257 HydrophobicContact CE2-CG2 4.08Å; F232-T257 HydrophobicContact CZ-CG2 3.93Å; F232-T264 CarbonylContact O-C 3.59Å; F232-T264 WeakPolarHBondContact O-CA 3.24Å; F232-F265 WeakPolarHBondContact CD1-O 3.49Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; F232-F265 WeakPolarHBondContact CE1-O 3.47Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.67Å; F232-F265 PolarHBondContact N-O 3.34Å; F232-F265 PolarHBondContact O-N 3.47Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; F232-H287 AromaticContact CD2-CD2 3.84Å; F232-H287 AromaticContact CD2-NE2 3.65Å
233	Y	95.5	Very high	97.1	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.016	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-151	135.5	173.2	179.2	-83.6	0	0	0	108.7	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.03Å; T55-Y233 PolarHBondContact OG1-OH 2.81Å; R205-Y233 HydrophobicContact CG-CD1 4.13Å; R205-Y233 WeakPolarHBondContact O-CD1 3.45Å; A206-Y233 CarbonylContact C-O 3.53Å; A206-Y233 WeakPolarHBondContact CA-O 3.37Å; E207-Y233 PolarHBondContact N-O 3.12Å; E207-Y233 PolarHBondContact O-N 3.3Å; Y233-G263 WeakPolarHBondContact CD2-O 3.36Å; Y233-F265 HydrophobicContact CD2-CD2 4.43Å; Y233-F265 AromaticContact CD2-CE2 3.95Å; Y233-F265 HydrophobicContact CD2-CE2 3.95Å; Y233-F265 HydrophobicContact CE2-CE2 4.4Å; Y233-H287 PolarHBondContact O-CE1 3.49Å; Y233-H287 VanDerWaalsContact O-CE1 3.24Å
234	P	94.9	Very high	97.1	Very high	17 Å²	17	33.4 Å²	33.4	11%	0.11	17%	0.171	C	C	.	.	S	Bend	cis	-72.5	179	3.3	30.8	-36.6	0	0	0	113.4	D54 F232 E236 H287	D54-P234 VanDerWaalsContact OD2-CB 3.31Å; D54-P234 WeakPolarHBondContact OD2-CB 3.5Å; F232-P234 WeakPolarHBondContact CD2-O 3.47Å; P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 2.87Å; P234-H287 PolarHBondContact O-NE2 2.72Å
235	A	96.2	Very high	96.8	Very high	15 Å²	15	34.8 Å²	34.8	12%	0.124	19%	0.19	C	C	.	.	S	Bend	trans	-70.4	-25.4	-175.6	0	0	0	0	0	113.7	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.34Å; D54-A235 WeakPolarHBondContact OD2-CB 3.49Å; D54-A235 PolarHBondContact OD2-N 2.98Å; A235-I237 PolarHBondContact O-N 2.93Å; A235-T257 HydrophobicContact CB-CG2 4.28Å; A235-T257 WeakPolarHBondContact O-CG2 3.14Å; A235-F265 HydrophobicContact CB-CD1 3.71Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.68Å; A235-F265 HydrophobicContact CB-CE2 3.67Å; A235-F265 HydrophobicContact CB-CG 3.73Å; A235-F265 HydrophobicContact CB-CZ 3.69Å
236	E	95.4	Very high	96.7	Very high	145 Å²	145	41.7 Å²	41.7	68%	0.678	22%	0.223	S	C	*	.			trans	-64.5	116.6	179.5	-170.8	59.3	-147	0	0	110.1	P234 H287	P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 2.87Å; E236-H287 PolarHBondContact O-CD2 2.92Å
237	I	96.3	Very high	96.5	Very high	10 Å²	10	43.9 Å²	43.9	5%	0.051	24%	0.238	C	C	.	.			trans	-152.4	142.2	-178.5	-164.3	170.4	0	0	0	109.6	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.01Å; P209-I237 HydrophobicContact CG-CD1 4.1Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CE1-CD1 3.8Å; F232-I237 HydrophobicContact CE1-CG2 4.44Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.42Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.85Å; F232-I237 HydrophobicContact CZ-CG2 3.53Å; A235-I237 PolarHBondContact O-N 2.93Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.68Å; I237-L239 HydrophobicContact CG1-CD1 3.65Å; I237-L239 HydrophobicContact CG2-CD1 4.11Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.58Å; I237-V285 HydrophobicContact CD1-CG1 3.98Å; I237-V285 HydrophobicContact CG1-CG1 4.31Å; I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.48Å; I237-H287 HydrophobicContact CD1-CB 4.23Å; I237-H287 HydrophobicContact CG1-CB 4.03Å
238	T	97.2	Very high	96.4	Very high	59 Å²	59	45.1 Å²	45.1	36%	0.362	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.3	174.4	-62.8	0	0	0	0	110.2	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.02Å; T238-V285 WeakPolarHBondContact O-CA 3.47Å; T238-Q286 PolarHBondContact N-O 3.08Å; T238-Q286 PolarHBondContact O-N 2.83Å
239	L	97.8	Very high	95.9	Very high	6 Å²	6	47.9 Å²	47.9	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.2	172.9	-87.3	62.8	0	0	0	108.4	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.04Å; A229-L239 HydrophobicContact CB-CD2 4.18Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.68Å; I237-L239 HydrophobicContact CG1-CD1 3.65Å; I237-L239 HydrophobicContact CG2-CD1 4.11Å; L239-L254 HydrophobicContact CB-CD1 4.15Å; L239-K267 HydrophobicContact CD1-CD 4.3Å; L239-K267 HydrophobicContact CD2-CB 4.38Å; L239-K267 HydrophobicContact CD2-CG 4.43Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.31Å; L239-H284 WeakPolarHBondContact CA-O 3.42Å; L239-V285 HydrophobicContact CD1-CG1 4.08Å; L239-V285 HydrophobicContact CG-CG2 4.31Å
240	T	97.5	Very high	95.5	Very high	39 Å²	39	57 Å²	57	24%	0.239	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	144.7	178.3	50.7	0	0	0	0	111	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.02Å; T240-C283 CarbonylContact O-C 3.54Å; T240-C283 WeakPolarHBondContact O-CA 3.21Å; T240-H284 PolarHBondContact N-O 2.84Å; T240-H284 PolarHBondContact O-N 3.45Å
241	W	98.1	Very high	95	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.008	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	137	169.4	-83.3	105.6	0	0	0	109.7	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.29Å; V213-W241 HydrophobicContact CG2-CH2 4.34Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.78Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.02Å; L225-W241 HydrophobicContact CD1-CZ3 4.19Å; C227-W241 HydrophobicContact CB-CZ2 3.65Å; W241-Q248 HydrophobicContact CB-CB 4.24Å; W241-Q248 PolarHBondContact O-N 2.89Å; W241-A269 PolarHBondContact NE1-O 3.03Å; W241-V271 HydrophobicContact CB-CG1 4.34Å; W241-V271 HydrophobicContact CD2-CB 4.48Å; W241-V271 HydrophobicContact CD2-CG1 3.6Å; W241-V271 HydrophobicContact CE3-CG1 4Å; W241-V271 HydrophobicContact CG-CB 4.15Å; W241-V271 HydrophobicContact CG-CG1 3.75Å; W241-V271 HydrophobicContact CZ2-CG1 4.34Å; W241-T282 VanDerWaalsContact CE3-C 3.43Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.97Å; W241-C283 HydrophobicContact CZ2-CB 4.03Å; W241-C283 HydrophobicContact CZ3-CB 3.99Å
242	Q	97.7	Very high	94.9	Very high	42 Å²	42	59.8 Å²	59.8	20%	0.196	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	145.7	171.5	-73.5	-177.9	-4.9	0	0	110.5	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.39Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.26Å; Q242-D247 PolarHBondContact NE2-OD1 3.26Å; Q242-Y281 CarbonylContact O-C 3.5Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.5Å; Q242-T282 PolarHBondContact N-O 2.8Å; Q242-T282 PolarHBondContact O-N 3.07Å; Q242-H284 VanDerWaalsContact CD-NE2 3.31Å; Q242-H284 PolarHBondContact OE1-NE2 3.29Å
243	R	97.1	Very high	94.9	Very high	66 Å²	66	65.1 Å²	65.1	25%	0.249	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	117.2	169.3	-179.4	-172.6	176.5	151.3	5.1	108.1	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.49Å; R243-E246 PolarHBondContact N-O 3.23Å; R243-E246 PolarHBondContact O-N 3.3Å; R243-Q248 HydrophobicContact CB-CG 3.95Å; R243-E277 IonicContact CZ-OE2 3.72Å; R243-E277 IonicContact NH1-OE2 2.82Å; R243-E277 IonicContact NH2-OE1 3.71Å; R243-E277 PolarHBondContact NH2-OE1 3.23Å; R243-E277 IonicContact NH2-OE2 3.37Å; R243-E277 PolarHBondContact NH2-OE2 3.48Å; R243-R280 WeakPolarHBondContact CA-O 3.47Å; R243-R280 HydrophobicContact CG-CB 4.49Å; R243-Y281 HydrophobicContact CB-CD1 4.14Å; R243-Y281 HydrophobicContact CB-CE1 3.92Å; R243-Y281 HydrophobicContact CG-CE1 4.19Å; R243-Y281 HydrophobicContact CG-CE2 4.14Å; R243-Y281 PolarHBondContact NH1-OH 3.29Å
244	D	94.6	Very high	94.9	Very high	99 Å²	99	69.2 Å²	69.2	53%	0.529	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	29	-176.8	-53.9	-51.8	0	0	0	114.5	R280	D244-R280 PolarHBondContact N-O 2.87Å; D244-R280 IonicContact OD1-NE 3.48Å; D244-R280 PolarHBondContact OD1-NE 3.2Å; D244-R280 IonicContact OD2-CZ 2.63Å; D244-R280 IonicContact OD2-NE 2.65Å; D244-R280 PolarHBondContact OD2-NE 3.44Å; D244-R280 IonicContact OD2-NH2 3.96Å; D244-R280 PolarHBondContact OD2-NH2 3.23Å
245	G	91.1	Very high	95	Very high	51 Å²	51	70 Å²	70	53%	0.526	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	-2.9	-177.9	0	0	0	0	0	115.5	R243	R243-G245 PolarHBondContact O-N 3.49Å
246	E	95.4	Very high	95.1	Very high	146 Å²	146	77.5 Å²	77.5	68%	0.682	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	128.4	177.2	-62.9	-174	170.4	0	0	111.9	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.39Å; R243-E246 PolarHBondContact N-O 3.23Å; R243-E246 PolarHBondContact O-N 3.3Å; E246-Q248 PolarHBondContact O-NE2 3.34Å
247	D	95.3	Very high	95.2	Very high	96 Å²	96	72.8 Å²	72.8	51%	0.513	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	133.6	-179.1	-68.8	-20.8	0	0	0	112.4	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.26Å; Q242-D247 PolarHBondContact NE2-OD1 3.26Å
248	Q	95.1	Very high	95.2	Very high	27 Å²	27	77 Å²	77	13%	0.126	40%	0.4	C	S	.	.			trans	-103.7	37.2	-177.5	-57.9	-60.8	-68.9	0	0	112.2	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.24Å; W241-Q248 PolarHBondContact O-N 2.89Å; R243-Q248 HydrophobicContact CB-CG 3.95Å; E246-Q248 PolarHBondContact O-NE2 3.34Å; Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 2.75Å; Q248-D251 PolarHBondContact O-N 2.04Å; Q248-T252 WeakPolarHBondContact O-CB 3.5Å; Q248-T252 PolarHBondContact O-N 2.88Å; Q248-T252 VanDerWaalsContact O-N 3.07Å; Q248-T252 PolarHBondContact O-OG1 2.86Å; Q248-Y281 HydrophobicContact CG-CE1 4.33Å
249	T	89	Confident	95.2	Very high	106 Å²	106	78.6 Å²	78.6	65%	0.65	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-36.4	-168.4	-51.3	0	0	0	0	114.1
250	Q	89.2	Confident	95.2	Very high	191 Å²	191	80.7 Å²	80.7	89%	0.893	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-31.9	-178.9	-67.2	-174	3.8	0	0	113.1	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 2.75Å; Q250-T252 VanDerWaalsContact C-N 3.34Å
251	D	87.2	Confident	95	Very high	110 Å²	110	82.6 Å²	82.6	59%	0.588	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	0.7	-177.6	-56	-52.4	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 2.04Å
252	T	94.8	Very high	94.7	Very high	24 Å²	24	87.9 Å²	87.9	15%	0.147	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	119.8	179.8	-63.8	0	0	0	0	110.8	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.5Å; Q248-T252 PolarHBondContact O-N 2.88Å; Q248-T252 VanDerWaalsContact O-N 3.07Å; Q248-T252 PolarHBondContact O-OG1 2.86Å; Q250-T252 VanDerWaalsContact C-N 3.34Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 3.21Å; T252-A269 HydrophobicContact CG2-CB 3.94Å; T252-A270 CarbonylContact C-O 3.55Å; T252-A270 VanDerWaalsContact CA-O 3.3Å; T252-A270 WeakPolarHBondContact CA-O 3.19Å
253	E	96.8	Very high	94.4	Very high	113 Å²	113	87.8 Å²	87.8	53%	0.528	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	107.1	163.5	-173.7	-173.5	-171.1	0	0	109	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.26Å; E253-W268 HydrophobicContact CG-CH2 3.94Å; E253-W268 HydrophobicContact CG-CZ3 3.86Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.35Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.43Å; E253-A269 CarbonylContact O-C 3.55Å; E253-A269 WeakPolarHBondContact O-CA 3.42Å; E253-A270 HydrophobicContact CB-CB 4.41Å; E253-A270 PolarHBondContact N-O 2.9Å; E253-A270 PolarHBondContact O-N 3.4Å
254	L	96.9	Very high	94.4	Very high	90 Å²	90	85 Å²	85	47%	0.471	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	119.1	178.4	-173.8	68.6	0	0	0	110.1	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.15Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 3.21Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; L254-A269 HydrophobicContact CD1-CB 3.62Å
255	V	96.9	Very high	94.5	Very high	34 Å²	34	81.6 Å²	81.6	21%	0.206	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-83.2	153.2	174.7	-64.5	0	0	0	0	112.3	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 WeakPolarHBondContact O-CE 3.46Å; V255-K267 WeakPolarHBondContact O-CG 3.49Å; V255-K267 PolarHBondContact O-NZ 3.28Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.27Å; V255-W268 HydrophobicContact CG1-CH2 3.56Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.08Å; V255-W268 HydrophobicContact CG2-CD2 3.74Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.04Å; V255-W268 PolarHBondContact N-O 3.46Å
256	E	96.9	Very high	94.9	Very high	172 Å²	172	81.2 Å²	81.2	80%	0.804	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-57.5	147.9	167.9	-67.2	-175.1	171.1	0	0	111.2	R258	E256-R258 PolarHBondContact O-N 3.01Å
257	T	97.9	Very high	95	Very high	46 Å²	46	75.3 Å²	75.3	28%	0.282	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-67.3	129.3	173.7	-56.5	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.08Å; F232-T257 HydrophobicContact CZ-CG2 3.93Å; A235-T257 HydrophobicContact CB-CG2 4.28Å; A235-T257 WeakPolarHBondContact O-CG2 3.14Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.93Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; T257-K267 WeakPolarHBondContact OG1-CD 3.19Å; T257-K267 PolarHBondContact OG1-NZ 3.46Å
258	R	97.5	Very high	95.2	Very high	97 Å²	97	71.9 Å²	71.9	37%	0.366	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	145.4	-174.9	67.9	-169.1	-178.3	-167.3	2	111.5	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.01Å; R258-F265 WeakPolarHBondContact O-CA 3.05Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 2.99Å; R258-Q266 WeakPolarHBondContact O-CG 3.42Å; R258-Q266 PolarHBondContact O-N 3.49Å
259	P	97.3	Very high	95.3	Very high	93 Å²	93	70.6 Å²	70.6	60%	0.604	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	144.3	178.4	28.6	-34.7	0	0	0	111.2	F265	P259-F265 HydrophobicContact CB-CE1 4.32Å
260	A	96.6	Very high	95.7	Very high	51 Å²	51	65.7 Å²	65.7	42%	0.421	37%	0.367	S	S	.	.			trans	-87.5	-18.5	173.2	0	0	0	0	0	112.9	T264	A260-T264 PolarHBondContact N-O 2.99Å
261	G	93	Very high	96.2	Very high	78 Å²	78	56.7 Å²	56.7	80%	0.804	33%	0.326	S	S	*	.	S	Bend	trans	98.3	-8.8	178.7	0	0	0	0	0	114.9
262	D	92.5	Very high	96.6	Very high	113 Å²	113	55 Å²	55	60%	0.604	32%	0.319	S	S	*	.	S	Bend	trans	-103.2	10.8	176.1	61	0.4	0	0	0	113.2	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.36Å; D262-T264 PolarHBondContact OD1-N 3.35Å; D262-T264 PolarHBondContact OD1-OG1 2.94Å
263	G	91.4	Very high	96.7	Very high	41 Å²	41	53.9 Å²	53.9	42%	0.423	31%	0.312	S	S	.	.	S	Bend	trans	89.7	1.2	-174	0	0	0	0	0	114.2	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.36Å
264	T	96.4	Very high	96.6	Very high	7 Å²	7	50.8 Å²	50.8	4%	0.043	30%	0.302	C	S	.	.			trans	-105.5	173.8	172.8	73.8	0	0	0	0	112.2	E207 F232 A260 D262	E207-T264 WeakPolarHBondContact OE2-CG2 3.47Å; F232-T264 CarbonylContact O-C 3.59Å; F232-T264 WeakPolarHBondContact O-CA 3.24Å; A260-T264 PolarHBondContact N-O 2.99Å; D262-T264 WeakPolarHBondContact OD1-CB 3.36Å; D262-T264 PolarHBondContact OD1-N 3.35Å; D262-T264 PolarHBondContact OD1-OG1 2.94Å
265	F	98.1	Very high	96.4	Very high	27 Å²	27	49.1 Å²	49.1	12%	0.118	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	162.8	-177.4	-63.4	-85.8	0	0	0	112.3	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.69Å; G231-F265 PolarHBondContact N-O 2.95Å; F232-F265 WeakPolarHBondContact CD1-O 3.49Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; F232-F265 WeakPolarHBondContact CE1-O 3.47Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.67Å; F232-F265 PolarHBondContact N-O 3.34Å; F232-F265 PolarHBondContact O-N 3.47Å; Y233-F265 HydrophobicContact CD2-CD2 4.43Å; Y233-F265 AromaticContact CD2-CE2 3.95Å; Y233-F265 HydrophobicContact CD2-CE2 3.95Å; Y233-F265 HydrophobicContact CE2-CE2 4.4Å; A235-F265 HydrophobicContact CB-CD1 3.71Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.68Å; A235-F265 HydrophobicContact CB-CE2 3.67Å; A235-F265 HydrophobicContact CB-CG 3.73Å; A235-F265 HydrophobicContact CB-CZ 3.69Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.93Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; R258-F265 WeakPolarHBondContact O-CA 3.05Å; P259-F265 HydrophobicContact CB-CE1 4.32Å
266	Q	98.3	Very high	96.1	Very high	44 Å²	44	50.6 Å²	50.6	21%	0.206	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	146.7	174	45.6	168.4	-26.9	0	0	110	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.37Å; L230-Q266 HydrophobicContact CD2-CB 3.58Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 2.99Å; R258-Q266 WeakPolarHBondContact O-CG 3.42Å; R258-Q266 PolarHBondContact O-N 3.49Å
267	K	98.6	Very high	96	Very high	22 Å²	22	45 Å²	45	10%	0.096	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	154.3	177.1	-163.1	-176	-172.6	70.1	0	109	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.95Å; A229-K267 PolarHBondContact O-N 3.12Å; A229-K267 VanDerWaalsContact O-O 3.09Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.58Å; L239-K267 HydrophobicContact CD1-CD 4.3Å; L239-K267 HydrophobicContact CD2-CB 4.38Å; L239-K267 HydrophobicContact CD2-CG 4.43Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 WeakPolarHBondContact O-CE 3.46Å; V255-K267 WeakPolarHBondContact O-CG 3.49Å; V255-K267 PolarHBondContact O-NZ 3.28Å; T257-K267 WeakPolarHBondContact OG1-CD 3.19Å; T257-K267 PolarHBondContact OG1-NZ 3.46Å
268	W	98.3	Very high	95.8	Very high	24 Å²	24	43.7 Å²	43.7	9%	0.091	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	156.4	169.4	59	-98.5	0	0	0	111.6	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.1Å; R226-W268 HydrophobicContact CG-CE3 3.87Å; R226-W268 HydrophobicContact CG-CG 4.21Å; C227-W268 CarbonylContact O-C 3.56Å; C227-W268 WeakPolarHBondContact O-CA 3.34Å; C227-W268 WeakPolarHBondContact O-CB 3.4Å; W228-W268 HydrophobicContact CD2-CB 3.94Å; W228-W268 HydrophobicContact CD2-CG 4.44Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.84Å; W228-W268 HydrophobicContact CE3-CG 4.16Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.61Å; W228-W268 HydrophobicContact CH2-CG 4.25Å; W228-W268 HydrophobicContact CZ3-CB 4.29Å; W228-W268 AromaticContact CZ3-CD1 3.38Å; W228-W268 HydrophobicContact CZ3-CG 4.08Å; E253-W268 HydrophobicContact CB-CZ3 4.26Å; E253-W268 HydrophobicContact CG-CH2 3.94Å; E253-W268 HydrophobicContact CG-CZ3 3.86Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.35Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.43Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.27Å; V255-W268 HydrophobicContact CG1-CH2 3.56Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.08Å; V255-W268 HydrophobicContact CG2-CD2 3.74Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.04Å; V255-W268 PolarHBondContact N-O 3.46Å; W268-A270 HydrophobicContact CE3-CB 3.95Å; W268-A270 HydrophobicContact CZ3-CB 3.65Å
269	A	98.3	Very high	95.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131.5	174	0	0	0	0	0	108.6	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.43Å; C227-A269 PolarHBondContact N-O 3.36Å; C227-A269 PolarHBondContact O-N 3.34Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.31Å; W241-A269 PolarHBondContact NE1-O 3.03Å; T252-A269 HydrophobicContact CG2-CB 3.94Å; E253-A269 CarbonylContact O-C 3.55Å; E253-A269 WeakPolarHBondContact O-CA 3.42Å; L254-A269 HydrophobicContact CD1-CB 3.62Å
270	A	97.9	Very high	95.5	Very high	2 Å²	2	43.7 Å²	43.7	2%	0.017	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	145.5	179.6	0	0	0	0	0	111.9	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.91Å; L225-A270 CarbonylContact O-C 3.57Å; L225-A270 WeakPolarHBondContact O-CA 3.17Å; R226-A270 HydrophobicContact CB-CB 4.01Å; R226-A270 HydrophobicContact CG-CB 4.14Å; T252-A270 CarbonylContact C-O 3.55Å; T252-A270 VanDerWaalsContact CA-O 3.3Å; T252-A270 WeakPolarHBondContact CA-O 3.19Å; E253-A270 HydrophobicContact CB-CB 4.41Å; E253-A270 PolarHBondContact N-O 2.9Å; E253-A270 PolarHBondContact O-N 3.4Å; W268-A270 HydrophobicContact CE3-CB 3.95Å; W268-A270 HydrophobicContact CZ3-CB 3.65Å
271	V	97.7	Very high	95.6	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	141.6	175.9	63.4	0	0	0	0	108.9	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.4Å; L225-V271 HydrophobicContact CB-CG1 4.28Å; L225-V271 PolarHBondContact N-O 2.8Å; L225-V271 PolarHBondContact O-N 2.88Å; W241-V271 HydrophobicContact CB-CG1 4.34Å; W241-V271 HydrophobicContact CD2-CB 4.48Å; W241-V271 HydrophobicContact CD2-CG1 3.6Å; W241-V271 HydrophobicContact CE3-CG1 4Å; W241-V271 HydrophobicContact CG-CB 4.15Å; W241-V271 HydrophobicContact CG-CG1 3.75Å; W241-V271 HydrophobicContact CZ2-CG1 4.34Å; V271-V273 HydrophobicContact CG1-CG1 3.79Å; V271-V273 HydrophobicContact CG2-CG1 4.45Å; V271-Y281 HydrophobicContact CG1-CD1 4.01Å; V271-Y281 HydrophobicContact CG1-CE1 4.4Å; V271-Y281 HydrophobicContact CG2-CD1 4.43Å; V271-Y281 HydrophobicContact CG2-CE1 4.06Å
272	V	97.1	Very high	95.8	Very high	74 Å²	74	38.3 Å²	38.3	45%	0.448	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	129.1	171.6	-178.4	0	0	0	0	108	E222	E222-V272 HydrophobicContact CB-CG1 4.09Å; E222-V272 HydrophobicContact CG-CG1 4.31Å
273	V	96.2	Very high	96	Very high	1 Å²	1	33 Å²	33	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	145.2	-175.5	-52.2	0	0	0	0	110.4	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.46Å; A223-V273 HydrophobicContact CB-CG2 4.48Å; A223-V273 PolarHBondContact N-O 2.88Å; A223-V273 WeakPolarHBondContact O-CG2 3.05Å; A223-V273 PolarHBondContact O-N 3.4Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.05Å; L225-V273 HydrophobicContact CG-CG1 4.17Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; V271-V273 HydrophobicContact CG1-CG1 3.79Å; V271-V273 HydrophobicContact CG2-CG1 4.45Å; V273-E278 HydrophobicContact CG2-CG 3.85Å; V273-Y281 HydrophobicContact CB-CD2 4.01Å; V273-Y281 HydrophobicContact CB-CE2 3.72Å; V273-Y281 HydrophobicContact CG1-CD1 3.66Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.6Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.66Å
274	P	95.9	Very high	96.3	Very high	48 Å²	48	32.6 Å²	32.6	31%	0.312	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	140.1	170.8	-22	34.6	0	0	0	111.2	H221 G276 E277	H221-P274 CarbonylContact O-C 3.58Å; H221-P274 WeakPolarHBondContact O-CA 3.3Å; P274-G276 PolarHBondContact O-N 3.24Å; P274-E277 HydrophobicContact CB-CB 4.35Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 WeakPolarHBondContact CG-OE2 3.3Å; P274-E277 WeakPolarHBondContact O-CB 3.17Å; P274-E277 PolarHBondContact O-N 2.87Å
275	S	91.7	Very high	96.4	Very high	55 Å²	55	32.3 Å²	32.3	39%	0.385	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	129.6	177.1	-62.9	0	0	0	0	111.1	H221 E222 E278	H221-S275 PolarHBondContact O-N 3.31Å; H221-S275 PolarHBondContact O-OG 2.63Å; E222-S275 PolarHBondContact N-OG 2.96Å; S275-E278 WeakPolarHBondContact CA-OE1 3.41Å
276	G	90.4	Very high	96.3	Very high	65 Å²	65	35.9 Å²	35.9	67%	0.67	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.3	-8.8	-176.2	0	0	0	0	0	114.9	P274 E278	P274-G276 PolarHBondContact O-N 3.24Å; G276-E278 WeakPolarHBondContact CA-OE2 3.27Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.41Å; G276-E278 PolarHBondContact N-OE2 3.19Å
277	E	94.6	Very high	96.2	Very high	54 Å²	54	34.2 Å²	34.2	25%	0.252	19%	0.188	S	C	.	.			trans	-98.7	3.4	176.5	-62.5	-158.1	141.7	0	0	113.5	R243 P274 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.72Å; R243-E277 IonicContact NH1-OE2 2.82Å; R243-E277 IonicContact NH2-OE1 3.71Å; R243-E277 PolarHBondContact NH2-OE1 3.23Å; R243-E277 IonicContact NH2-OE2 3.37Å; R243-E277 PolarHBondContact NH2-OE2 3.48Å; P274-E277 HydrophobicContact CB-CB 4.35Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 WeakPolarHBondContact CG-OE2 3.3Å; P274-E277 WeakPolarHBondContact O-CB 3.17Å; P274-E277 PolarHBondContact O-N 2.87Å; E277-Q279 PolarHBondContact O-N 3.03Å; E277-R280 VanDerWaalsContact O-CB 3.3Å; E277-R280 WeakPolarHBondContact O-CB 3.23Å; E277-R280 PolarHBondContact O-N 3.43Å; E277-R280 IonicContact OE1-NH1 2.7Å; E277-R280 PolarHBondContact OE1-NH1 3.08Å; E277-R280 IonicContact OE2-NH1 3.35Å; E277-Y281 HydrophobicContact CB-CE2 4.41Å; E277-Y281 WeakPolarHBondContact O-CD2 3.46Å
278	E	94	Very high	95.8	Very high	19 Å²	19	36.7 Å²	36.7	9%	0.089	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-59.3	-30.5	-169.6	-56.4	84.2	177.6	0	0	112.8	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.44Å; L225-E278 HydrophobicContact CD1-CB 4.09Å; L225-E278 HydrophobicContact CD2-CB 4.5Å; L225-E278 HydrophobicContact CD2-CG 4.36Å; V273-E278 HydrophobicContact CG2-CG 3.85Å; S275-E278 WeakPolarHBondContact CA-OE1 3.41Å; G276-E278 WeakPolarHBondContact CA-OE2 3.27Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.41Å; G276-E278 PolarHBondContact N-OE2 3.19Å; E278-R280 PolarHBondContact O-N 2.88Å; E278-Y281 PolarHBondContact O-N 3.32Å; E278-W298 HydrophobicContact CB-CD2 4.26Å; E278-W298 HydrophobicContact CB-CE3 3.22Å; E278-W298 HydrophobicContact CB-CZ3 3.49Å; E278-W298 VanDerWaalsContact CB-CZ3 3.49Å; E278-W298 HydrophobicContact CG-CD2 4.5Å; E278-W298 HydrophobicContact CG-CE3 3.58Å; E278-W298 HydrophobicContact CG-CH2 4.29Å; E278-W298 HydrophobicContact CG-CZ3 3.43Å; E278-W298 VanDerWaalsContact CG-CZ3 3.43Å
279	Q	94.1	Very high	95.5	Very high	96 Å²	96	36.2 Å²	36.2	45%	0.449	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-70.9	-16.6	178.9	-63.7	-55.3	-45.8	0	0	114.3	E277 Y281 R297 W298	E277-Q279 PolarHBondContact O-N 3.03Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å; Q279-R297 PolarHBondContact O-NH1 3.45Å; Q279-W298 PolarHBondContact NE2-O 3.35Å
280	R	95.6	Very high	95.2	Very high	94 Å²	94	36.8 Å²	36.8	36%	0.355	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-77.7	-16.9	174.1	-62.1	173.9	66.4	178.6	3.5	111.9	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.47Å; R243-R280 HydrophobicContact CG-CB 4.49Å; D244-R280 PolarHBondContact N-O 2.87Å; D244-R280 IonicContact OD1-NE 3.48Å; D244-R280 PolarHBondContact OD1-NE 3.2Å; D244-R280 IonicContact OD2-CZ 2.63Å; D244-R280 IonicContact OD2-NE 2.65Å; D244-R280 PolarHBondContact OD2-NE 3.44Å; D244-R280 IonicContact OD2-NH2 3.96Å; D244-R280 PolarHBondContact OD2-NH2 3.23Å; E277-R280 VanDerWaalsContact O-CB 3.3Å; E277-R280 WeakPolarHBondContact O-CB 3.23Å; E277-R280 PolarHBondContact O-N 3.43Å; E277-R280 IonicContact OE1-NH1 2.7Å; E277-R280 PolarHBondContact OE1-NH1 3.08Å; E277-R280 IonicContact OE2-NH1 3.35Å; E278-R280 PolarHBondContact O-N 2.88Å
281	Y	96.9	Very high	94.9	Very high	6 Å²	6	42.7 Å²	42.7	2%	0.024	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	130.8	-177.7	-70.2	-100	0	0	0	111.2	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.5Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.5Å; R243-Y281 HydrophobicContact CB-CD1 4.14Å; R243-Y281 HydrophobicContact CB-CE1 3.92Å; R243-Y281 HydrophobicContact CG-CE1 4.19Å; R243-Y281 HydrophobicContact CG-CE2 4.14Å; R243-Y281 PolarHBondContact NH1-OH 3.29Å; Q248-Y281 HydrophobicContact CG-CE1 4.33Å; V271-Y281 HydrophobicContact CG1-CD1 4.01Å; V271-Y281 HydrophobicContact CG1-CE1 4.4Å; V271-Y281 HydrophobicContact CG2-CD1 4.43Å; V271-Y281 HydrophobicContact CG2-CE1 4.06Å; V273-Y281 HydrophobicContact CB-CD2 4.01Å; V273-Y281 HydrophobicContact CB-CE2 3.72Å; V273-Y281 HydrophobicContact CG1-CD1 3.66Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.6Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.66Å; E277-Y281 HydrophobicContact CB-CE2 4.41Å; E277-Y281 WeakPolarHBondContact O-CD2 3.46Å; E278-Y281 PolarHBondContact O-N 3.32Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å
282	T	97.6	Very high	94.6	Very high	10 Å²	10	49.7 Å²	49.7	6%	0.061	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	131.3	177.1	58.6	0	0	0	0	110.7	W241 Q242 H284 T295 L296 R297	W241-T282 VanDerWaalsContact CE3-C 3.43Å; Q242-T282 PolarHBondContact N-O 2.8Å; Q242-T282 PolarHBondContact O-N 3.07Å; T282-H284 PolarHBondContact OG1-NE2 2.72Å; T282-T295 HydrophobicContact CG2-CG2 4.13Å; T282-L296 CarbonylContact C-O 3.54Å; T282-L296 VanDerWaalsContact CA-O 3.31Å; T282-L296 WeakPolarHBondContact CA-O 3.45Å; T282-R297 HydrophobicContact CG2-CG 3.72Å; T282-R297 VanDerWaalsContact CG2-NE 3.26Å
283	C	97.9	Very high	94.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	128.7	170.7	173.8	0	0	0	0	109.7	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.39Å; C227-C283 WeakPolarHBondContact SG-CB 3.39Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.84Å; T240-C283 CarbonylContact O-C 3.54Å; T240-C283 WeakPolarHBondContact O-CA 3.21Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.97Å; W241-C283 HydrophobicContact CZ2-CB 4.03Å; 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 4.27Å; C283-L296 PolarHBondContact N-O 2.87Å; C283-L296 PolarHBondContact O-N 2.84Å
284	H	97.4	Very high	94.5	Very high	34 Å²	34	52.1 Å²	52.1	16%	0.157	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133.3	175	-63.6	-97.2	0	0	0	110.5	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.42Å; T240-H284 PolarHBondContact N-O 2.84Å; T240-H284 PolarHBondContact O-N 3.45Å; Q242-H284 VanDerWaalsContact CD-NE2 3.31Å; Q242-H284 PolarHBondContact OE1-NE2 3.29Å; T282-H284 PolarHBondContact OG1-NE2 2.72Å; H284-L294 CarbonylContact C-O 3.54Å; H284-L294 VanDerWaalsContact CA-O 3.3Å; H284-L294 WeakPolarHBondContact CA-O 3.5Å; H284-T295 PolarHBondContact CE1-OG1 3.23Å; H284-T295 PolarHBondContact ND1-OG1 3.26Å; H284-T295 VanDerWaalsContact ND1-OG1 3.11Å
285	V	97.8	Very high	94.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	120.6	-177.9	-174.5	0	0	0	0	109.2	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.96Å; T211-V285 HydrophobicContact CG2-CB 4.45Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.07Å; I237-V285 HydrophobicContact CD1-CG1 3.98Å; I237-V285 HydrophobicContact CG1-CG1 4.31Å; T238-V285 WeakPolarHBondContact O-CA 3.47Å; L239-V285 HydrophobicContact CD1-CG1 4.08Å; L239-V285 HydrophobicContact CG-CG2 4.31Å; V285-L290 HydrophobicContact CG1-CD1 4.21Å; V285-P293 WeakPolarHBondContact O-CA 3.35Å; V285-L294 HydrophobicContact CB-CB 4.34Å; V285-L294 PolarHBondContact N-O 2.89Å; V285-L294 PolarHBondContact O-N 3.31Å; V285-L296 HydrophobicContact CG2-CD1 3.91Å
286	Q	96.9	Very high	94.8	Very high	103 Å²	103	53 Å²	53	48%	0.481	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.3	173.9	-57.7	177.7	11.6	0	0	109	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.48Å; T238-Q286 PolarHBondContact N-O 3.08Å; T238-Q286 PolarHBondContact O-N 2.83Å; Q286-P293 HydrophobicContact CG-CB 3.99Å; Q286-P293 HydrophobicContact CG-CG 4.1Å
287	H	95.3	Very high	95	Very high	8 Å²	8	57 Å²	57	4%	0.037	29%	0.286	C	S	.	.			trans	-157.1	144.8	-177.9	-174.1	-101.2	0	0	0	109.3	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 WeakPolarHBondContact CH2-O 3.49Å; W23-H287 WeakPolarHBondContact CZ2-O 3.49Å; E207-H287 PolarHBondContact O-CE1 3.25Å; E207-H287 VanDerWaalsContact O-CE1 3.24Å; P209-H287 HydrophobicContact CG-CB 4.08Å; F232-H287 AromaticContact CD2-CD2 3.84Å; F232-H287 AromaticContact CD2-NE2 3.65Å; Y233-H287 PolarHBondContact O-CE1 3.49Å; Y233-H287 VanDerWaalsContact O-CE1 3.24Å; P234-H287 PolarHBondContact O-NE2 2.72Å; E236-H287 PolarHBondContact O-CD2 2.92Å; I237-H287 HydrophobicContact CD1-CB 4.23Å; I237-H287 HydrophobicContact CG1-CB 4.03Å; H287-G289 PolarHBondContact CE1-N 2.99Å; H287-G289 WeakPolarHBondContact ND1-CA 3.41Å; H287-G289 PolarHBondContact ND1-N 3.19Å; H287-G289 PolarHBondContact O-N 3.13Å; H287-G289 VanDerWaalsContact O-N 3.11Å; H287-L290 HydrophobicContact CB-CD1 3.95Å; H287-L290 HydrophobicContact CB-CG 4.2Å; H287-L290 WeakPolarHBondContact O-CB 3.21Å; H287-L290 PolarHBondContact O-N 3.04Å
288	E	91.2	Very high	94.9	Very high	75 Å²	75	58.1 Å²	58.1	35%	0.35	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-16.8	178.5	-165.2	-168.3	143.7	0	0	113.8	W23 C25 L290	W23-E288 HydrophobicContact CE3-CG 4.31Å; W23-E288 VanDerWaalsContact CH2-O 3.27Å; W23-E288 WeakPolarHBondContact CH2-O 3.4Å; W23-E288 VanDerWaalsContact CZ3-C 3.42Å; W23-E288 HydrophobicContact CZ3-CG 4.31Å; W23-E288 WeakPolarHBondContact CZ3-O 3.27Å; C25-E288 PolarHBondContact SG-OE1 3.22Å; E288-L290 VanDerWaalsContact C-N 3.31Å
289	G	90.7	Very high	94.2	Very high	14 Å²	14	59.1 Å²	59.1	14%	0.144	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-10.6	173.9	0	0	0	0	0	114.4	H287	H287-G289 PolarHBondContact CE1-N 2.99Å; H287-G289 WeakPolarHBondContact ND1-CA 3.41Å; H287-G289 PolarHBondContact ND1-N 3.19Å; H287-G289 PolarHBondContact O-N 3.13Å; H287-G289 VanDerWaalsContact O-N 3.11Å
290	L	93	Very high	92.4	Very high	12 Å²	12	60.7 Å²	60.7	6%	0.063	32%	0.322	C	S	.	.			trans	-105.8	117.8	-171.1	-67.2	171.7	0	0	0	112.7	W23 H208 P209 V285 H287 E288 E292 L294	W23-L290 WeakPolarHBondContact CH2-O 3.47Å; W23-L290 VanDerWaalsContact CZ2-O 3.26Å; W23-L290 WeakPolarHBondContact CZ2-O 3.45Å; H208-L290 HydrophobicContact CB-CD2 3.85Å; H208-L290 HydrophobicContact CB-CG 4.45Å; P209-L290 HydrophobicContact CG-CD1 3.81Å; P209-L290 HydrophobicContact CG-CD2 4.38Å; P209-L290 HydrophobicContact CG-CG 4.17Å; V285-L290 HydrophobicContact CG1-CD1 4.21Å; H287-L290 HydrophobicContact CB-CD1 3.95Å; H287-L290 HydrophobicContact CB-CG 4.2Å; H287-L290 WeakPolarHBondContact O-CB 3.21Å; H287-L290 PolarHBondContact O-N 3.04Å; E288-L290 VanDerWaalsContact C-N 3.31Å; L290-E292 WeakPolarHBondContact CB-O 3.39Å; L290-E292 PolarHBondContact O-N 3.12Å; L290-L294 HydrophobicContact CD1-CD1 3.93Å; L290-L294 HydrophobicContact CD1-CG 3.86Å; L290-L294 HydrophobicContact CD2-CD1 3.64Å; L290-L294 HydrophobicContact CD2-CG 3.93Å; L290-L294 HydrophobicContact CG-CD1 4.45Å; L290-L294 HydrophobicContact CG-CG 4.49Å
291	P	91.4	Very high	90.2	Very high	126 Å²	126	61.2 Å²	61.2	82%	0.818	34%	0.339	S	S	*	.	S	Bend	trans	-57.2	-29.8	-179.1	25.6	-35.1	0	0	0	113.3
292	E	91.8	Very high	87.6	Confident	150 Å²	150	66.3 Å²	66.3	70%	0.701	38%	0.376	S	S	*	.	S	Bend	trans	-140.1	150.9	171.9	-64.9	-179.3	178.4	0	0	109.6	L290	L290-E292 WeakPolarHBondContact CB-O 3.39Å; L290-E292 PolarHBondContact O-N 3.12Å
293	P	94.6	Very high	85	Confident	66 Å²	66	73.1 Å²	73.1	43%	0.429	41%	0.407	S	S	.	.			trans	-53	139.8	172.3	-27.2	36.1	0	0	0	112.5	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.35Å; Q286-P293 HydrophobicContact CG-CB 3.99Å; Q286-P293 HydrophobicContact CG-CG 4.1Å
294	L	95.7	Very high	82.2	Confident	60 Å²	60	78.8 Å²	78.8	31%	0.314	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	136	176.5	-63.6	177.3	0	0	0	110.8	T211 H284 V285 L290	T211-L294 HydrophobicContact CG2-CD1 4.41Å; H284-L294 CarbonylContact C-O 3.54Å; H284-L294 VanDerWaalsContact CA-O 3.3Å; H284-L294 WeakPolarHBondContact CA-O 3.5Å; V285-L294 HydrophobicContact CB-CB 4.34Å; V285-L294 PolarHBondContact N-O 2.89Å; V285-L294 PolarHBondContact O-N 3.31Å; L290-L294 HydrophobicContact CD1-CD1 3.93Å; L290-L294 HydrophobicContact CD1-CG 3.86Å; L290-L294 HydrophobicContact CD2-CD1 3.64Å; L290-L294 HydrophobicContact CD2-CG 3.93Å; L290-L294 HydrophobicContact CG-CD1 4.45Å; L290-L294 HydrophobicContact CG-CG 4.49Å
295	T	97	Very high	79.6	Confident	84 Å²	84	83.3 Å²	83.3	52%	0.515	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.6	169.1	-53.1	0	0	0	0	109.7	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 4.13Å; C283-T295 CarbonylContact O-C 3.55Å; C283-T295 WeakPolarHBondContact O-CA 3.36Å; H284-T295 PolarHBondContact CE1-OG1 3.23Å; H284-T295 PolarHBondContact ND1-OG1 3.26Å; H284-T295 VanDerWaalsContact ND1-OG1 3.11Å
296	L	96.1	Very high	77.5	Confident	36 Å²	36	88.6 Å²	88.6	19%	0.188	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	142.6	-175.2	-60.9	153.4	0	0	0	110.2	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.47Å; T211-L296 HydrophobicContact CG2-CD1 4.18Å; V213-L296 HydrophobicContact CG2-CB 3.85Å; T282-L296 CarbonylContact C-O 3.54Å; T282-L296 VanDerWaalsContact CA-O 3.31Å; T282-L296 WeakPolarHBondContact CA-O 3.45Å; C283-L296 HydrophobicContact CB-CB 4.27Å; C283-L296 PolarHBondContact N-O 2.87Å; C283-L296 PolarHBondContact O-N 2.84Å; V285-L296 HydrophobicContact CG2-CD1 3.91Å
297	R	94.9	Very high	75.4	Confident	151 Å²	151	88 Å²	88	57%	0.57	51%	0.507	S	S	*	.			trans	-122.1	154.8	169.1	-72.7	-177.1	-174.3	-160.5	-2.3	109.4	Q279 T282	Q279-R297 PolarHBondContact O-NH1 3.45Å; T282-R297 HydrophobicContact CG2-CG 3.72Å; T282-R297 VanDerWaalsContact CG2-NE 3.26Å
298	W	92.4	Very high	73.8	Confident	76 Å²	76	93.3 Å²	93.3	29%	0.288	53%	0.534	S	S	.	.	S	Bend	trans	-72	128.1	167.7	172.1	65.1	0	0	0	109.9	V213 H215 L225 E278 Q279	V213-W298 HydrophobicContact CB-CB 4.45Å; V213-W298 HydrophobicContact CG1-CB 3.82Å; H215-W298 HydrophobicContact CB-CD2 4.13Å; H215-W298 VanDerWaalsContact CB-CE2 3.43Å; H215-W298 HydrophobicContact CB-CG 4.15Å; H215-W298 HydrophobicContact CB-CZ2 3.88Å; H215-W298 AromaticContact CD2-CE2 3.76Å; H215-W298 AromaticContact CD2-CH2 3.88Å; H215-W298 AromaticContact CD2-CZ2 3.62Å; H215-W298 AromaticContact CE1-CZ2 3.9Å; H215-W298 AromaticContact CG-CE2 3.54Å; H215-W298 AromaticContact CG-CZ2 3.48Å; H215-W298 VanDerWaalsContact CG-CZ2 3.48Å; H215-W298 AromaticContact CG-NE1 3.76Å; H215-W298 AromaticContact ND1-CZ2 3.68Å; H215-W298 AromaticContact NE2-CH2 3.86Å; H215-W298 AromaticContact NE2-CZ2 3.9Å; L225-W298 HydrophobicContact CD1-CB 4.34Å; L225-W298 HydrophobicContact CD2-CB 3.76Å; L225-W298 HydrophobicContact CD2-CD2 4.18Å; L225-W298 HydrophobicContact CD2-CG 3.81Å; E278-W298 HydrophobicContact CB-CD2 4.26Å; E278-W298 HydrophobicContact CB-CE3 3.22Å; E278-W298 HydrophobicContact CB-CZ3 3.49Å; E278-W298 VanDerWaalsContact CB-CZ3 3.49Å; E278-W298 HydrophobicContact CG-CD2 4.5Å; E278-W298 HydrophobicContact CG-CE3 3.58Å; E278-W298 HydrophobicContact CG-CH2 4.29Å; E278-W298 HydrophobicContact CG-CZ3 3.43Å; E278-W298 VanDerWaalsContact CG-CZ3 3.43Å; Q279-W298 PolarHBondContact NE2-O 3.35Å
299	G	80.2	Confident	72.3	Confident	40 Å²	40	95.6 Å²	95.6	41%	0.412	55%	0.552	S	S	.	*	S	Bend	trans	157.7	168.8	-179.4	0	0	0	0	0	111.3	S301	G299-S301 PolarHBondContact O-N 3.13Å
300	P	56.2	Low	71.1	Confident	130 Å²	130	97 Å²	97	84%	0.844	57%	0.567	S	S	*	*			trans	-58.2	127.5	174.4	-13.8	26	0	0	0	109.2	S302	P300-S302 PolarHBondContact O-N 3.39Å
301	S	48.3	Very low	70.1	Confident	104 Å²	104	101.1 Å²	101.1	73%	0.727	59%	0.588	S	S	*	*			trans	-50.5	99.6	171.1	164.1	0	0	0	0	109.9	G299 Q303	G299-S301 PolarHBondContact O-N 3.13Å; S301-Q303 PolarHBondContact O-N 2.9Å; S301-Q303 VanDerWaalsContact O-N 3.09Å
302	S	43	Very low	69.3	Low	114 Å²	114	99.4 Å²	99.4	80%	0.797	58%	0.575	S	S	*	*			trans	-80.5	74.2	160.2	39.6	0	0	0	0	107.2	P300	P300-S302 PolarHBondContact O-N 3.39Å
303	Q	42.3	Very low	68.4	Low	152 Å²	152	94.8 Å²	94.8	71%	0.71	56%	0.563	S	S	*	*			trans	-49.6	126.4	150	-81.4	-170	-25	0	0	106.2	S301 T305	S301-Q303 PolarHBondContact O-N 2.9Å; S301-Q303 VanDerWaalsContact O-N 3.09Å; Q303-T305 VanDerWaalsContact C-N 3.32Å; Q303-T305 PolarHBondContact O-N 3.05Å
304	P	39.7	Very low	67.6	Low	119 Å²	119	93.3 Å²	93.3	77%	0.773	56%	0.56	S	S	*	*			trans	-64	103.1	174.7	24.7	-29.3	0	0	0	106.4	I306	P304-I306 PolarHBondContact O-N 3.29Å
305	T	43.3	Very low	67	Low	129 Å²	129	95.7 Å²	95.7	79%	0.791	57%	0.572	S	S	*	*			trans	-61.9	93.4	164.3	-49.1	0	0	0	0	105.1	Q303 P307	Q303-T305 VanDerWaalsContact C-N 3.32Å; Q303-T305 PolarHBondContact O-N 3.05Å; T305-P307 VanDerWaalsContact O-N 3.1Å
306	I	53.4	Low	66.3	Low	112 Å²	112	94.3 Å²	94.3	57%	0.574	57%	0.569	S	S	*	*			trans	-46.1	124.3	166.3	-62.9	173.1	0	0	0	104.8	P304 I308 I311	P304-I306 PolarHBondContact O-N 3.29Å; I306-I308 PolarHBondContact O-N 2.87Å; I306-I311 HydrophobicContact CG2-CD1 4.03Å
307	P	53.4	Low	65.7	Low	91 Å²	91	96.8 Å²	96.8	59%	0.591	59%	0.586	S	S	*	*			trans	-73.6	78.8	-176.2	30	-33.1	0	0	0	107.6	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-N 3.1Å; P307-V309 PolarHBondContact O-N 3.41Å; P307-V309 VanDerWaalsContact O-N 3.13Å; P307-G310 WeakPolarHBondContact O-CA 3.43Å; P307-G310 PolarHBondContact O-N 3.23Å; P307-I311 PolarHBondContact O-N 3.29Å
308	I	60.2	Low	65.2	Low	118 Å²	118	95 Å²	95	61%	0.605	59%	0.587	S	S	*	*	H	α-helix	trans	-54.2	-34	177.4	-66.8	166.9	0	0	0	108.9	I306 G310 I311 V312	I306-I308 PolarHBondContact O-N 2.87Å; I308-G310 PolarHBondContact O-N 3.12Å; I308-I311 PolarHBondContact O-N 2.9Å; I308-V312 HydrophobicContact CG2-CG2 4.24Å; I308-V312 WeakPolarHBondContact O-CB 3.38Å; I308-V312 VanDerWaalsContact O-CG2 3.24Å; I308-V312 WeakPolarHBondContact O-CG2 3.39Å; I308-V312 PolarHBondContact O-N 2.83Å
309	V	61.5	Low	64.8	Low	123 Å²	123	94.1 Å²	94.1	75%	0.745	60%	0.595	S	S	*	*	H	α-helix	trans	-60.7	-39.9	174	179.8	0	0	0	0	112.5	P307 A313	P307-V309 PolarHBondContact O-N 3.41Å; P307-V309 VanDerWaalsContact O-N 3.13Å; V309-A313 VanDerWaalsContact O-CB 3.27Å; V309-A313 WeakPolarHBondContact O-CB 3.2Å; V309-A313 PolarHBondContact O-N 2.91Å
310	G	65.3	Low	65	Low	44 Å²	44	96.4 Å²	96.4	45%	0.454	60%	0.601	S	S	.	*	H	α-helix	trans	-69.7	-38.2	179.3	0	0	0	0	0	112.8	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.43Å; P307-G310 PolarHBondContact O-N 3.23Å; I308-G310 PolarHBondContact O-N 3.12Å; G310-G314 PolarHBondContact O-N 3.01Å
311	I	71.8	Confident	66.3	Low	98 Å²	98	95.2 Å²	95.2	50%	0.503	59%	0.587	S	S	.	*	H	α-helix	trans	-69.3	-44.6	176.9	-62.7	171.9	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 4.03Å; P307-I311 PolarHBondContact O-N 3.29Å; I308-I311 PolarHBondContact O-N 2.9Å; I311-G314 PolarHBondContact O-N 2.81Å; I311-L315 HydrophobicContact CG2-CD1 4.04Å; I311-L315 WeakPolarHBondContact O-CG 3.44Å; I311-L315 PolarHBondContact O-N 3.14Å
312	V	73.7	Confident	67.9	Low	91 Å²	91	93.4 Å²	93.4	55%	0.552	58%	0.578	S	S	*	*	H	α-helix	trans	-65.2	-42.2	178.6	173.2	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.24Å; I308-V312 WeakPolarHBondContact O-CB 3.38Å; I308-V312 VanDerWaalsContact O-CG2 3.24Å; I308-V312 WeakPolarHBondContact O-CG2 3.39Å; I308-V312 PolarHBondContact O-N 2.83Å; V312-L315 PolarHBondContact O-N 3.13Å; V312-A316 WeakPolarHBondContact O-CB 3.38Å; V312-A316 PolarHBondContact O-N 3Å
313	A	73.4	Confident	69.8	Low	53 Å²	53	92.4 Å²	92.4	44%	0.438	57%	0.568	S	S	.	*	H	α-helix	trans	-63.6	-42.7	175.1	0	0	0	0	0	111.9	V309 L315 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.27Å; V309-A313 WeakPolarHBondContact O-CB 3.2Å; V309-A313 PolarHBondContact O-N 2.91Å; A313-L315 PolarHBondContact O-N 2.82Å; A313-A316 PolarHBondContact O-N 3.39Å; A313-V317 WeakPolarHBondContact O-CG2 3.36Å; A313-V317 PolarHBondContact O-N 3.13Å
314	G	77.8	Confident	71.7	Confident	35 Å²	35	90 Å²	90	36%	0.361	56%	0.559	S	S	.	*	H	α-helix	trans	-61.5	-43.3	176.6	0	0	0	0	0	113	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.01Å; I311-G314 PolarHBondContact O-N 2.81Å; G314-V317 PolarHBondContact O-N 2.72Å; G314-L318 PolarHBondContact O-N 3.42Å
315	L	83.8	Confident	73.6	Confident	110 Å²	110	86.3 Å²	86.3	58%	0.576	54%	0.543	S	S	*	.	H	α-helix	trans	-66.8	-38.4	176.8	-72.1	171.9	0	0	0	112.5	I311 V312 A313 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.04Å; I311-L315 WeakPolarHBondContact O-CG 3.44Å; I311-L315 PolarHBondContact O-N 3.14Å; V312-L315 PolarHBondContact O-N 3.13Å; A313-L315 PolarHBondContact O-N 2.82Å; L315-L318 PolarHBondContact O-N 3.49Å; L315-A319 WeakPolarHBondContact O-CB 3.29Å; L315-A319 PolarHBondContact O-N 3.35Å
316	A	81.6	Confident	75.3	Confident	55 Å²	55	82.8 Å²	82.8	46%	0.455	53%	0.527	S	S	.	.	H	α-helix	trans	-63.8	-42.3	176.1	0	0	0	0	0	111.9	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.38Å; V312-A316 PolarHBondContact O-N 3Å; A313-A316 PolarHBondContact O-N 3.39Å; A316-A319 PolarHBondContact O-N 3.08Å; A316-V320 WeakPolarHBondContact O-CG2 3.35Å; A316-V320 PolarHBondContact O-N 3.12Å
317	V	83.8	Confident	76.5	Confident	88 Å²	88	81.2 Å²	81.2	53%	0.533	52%	0.522	S	S	.	.	H	α-helix	trans	-64.4	-43.4	176.6	173.4	0	0	0	0	111.2	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.36Å; A313-V317 PolarHBondContact O-N 3.13Å; G314-V317 PolarHBondContact O-N 2.72Å; V317-A319 VanDerWaalsContact C-N 3.33Å; V317-A319 PolarHBondContact O-N 3.46Å; V317-V320 PolarHBondContact O-N 3.18Å; V317-L321 HydrophobicContact CG1-CD1 4.02Å; V317-L321 HydrophobicContact CG1-CG 4.43Å; V317-L321 WeakPolarHBondContact O-CG 3.11Å; V317-L321 PolarHBondContact O-N 2.98Å
318	L	83.2	Confident	77.6	Confident	114 Å²	114	82.6 Å²	82.6	60%	0.597	52%	0.522	S	S	*	.	H	α-helix	trans	-60.9	-41.1	176	-82.8	165	0	0	0	112.3	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 3.42Å; L315-L318 PolarHBondContact O-N 3.49Å; L318-L321 PolarHBondContact O-N 3.04Å; L318-A322 WeakPolarHBondContact O-CB 3.4Å; L318-A322 PolarHBondContact O-N 3Å
319	A	84.4	Confident	78.2	Confident	56 Å²	56	79.5 Å²	79.5	46%	0.463	51%	0.514	S	S	.	.	H	α-helix	trans	-63.5	-43.6	176.4	0	0	0	0	0	112	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.29Å; L315-A319 PolarHBondContact O-N 3.35Å; A316-A319 PolarHBondContact O-N 3.08Å; V317-A319 VanDerWaalsContact C-N 3.33Å; V317-A319 PolarHBondContact O-N 3.46Å; A319-A322 PolarHBondContact O-N 3.03Å; A319-V323 WeakPolarHBondContact O-CG2 3.47Å; A319-V323 PolarHBondContact O-N 2.71Å
320	V	85	Confident	78.8	Confident	88 Å²	88	77.6 Å²	77.6	53%	0.533	50%	0.502	S	S	.	.	H	α-helix	trans	-63.1	-43.4	177	172.3	0	0	0	0	111.3	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.35Å; A316-V320 PolarHBondContact O-N 3.12Å; V317-V320 PolarHBondContact O-N 3.18Å; V320-A322 VanDerWaalsContact C-N 3.35Å; V320-A322 PolarHBondContact O-N 3.08Å; V320-V323 PolarHBondContact O-N 3.05Å; V320-L324 HydrophobicContact CG1-CD1 3.95Å; V320-L324 WeakPolarHBondContact O-CG 3.48Å; V320-L324 PolarHBondContact O-N 3.3Å
321	L	84.1	Confident	79.2	Confident	105 Å²	105	79 Å²	79	55%	0.55	50%	0.502	S	S	.	.	H	α-helix	trans	-64	-39	177.2	-71.2	173.4	0	0	0	112.2	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 4.02Å; V317-L321 HydrophobicContact CG1-CG 4.43Å; V317-L321 WeakPolarHBondContact O-CG 3.11Å; V317-L321 PolarHBondContact O-N 2.98Å; L318-L321 PolarHBondContact O-N 3.04Å; L321-L324 PolarHBondContact O-N 2.85Å; L321-G325 PolarHBondContact O-N 3.13Å
322	A	81.9	Confident	79.2	Confident	66 Å²	66	80.7 Å²	80.7	55%	0.545	51%	0.509	S	S	.	.	H	α-helix	trans	-64	-41.9	175.7	0	0	0	0	0	112	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.4Å; L318-A322 PolarHBondContact O-N 3Å; A319-A322 PolarHBondContact O-N 3.03Å; V320-A322 VanDerWaalsContact C-N 3.35Å; V320-A322 PolarHBondContact O-N 3.08Å; A322-G325 PolarHBondContact O-N 3.27Å; A322-A326 WeakPolarHBondContact O-CB 3.47Å; A322-A326 PolarHBondContact O-N 2.64Å
323	V	82.6	Confident	78.6	Confident	94 Å²	94	80.6 Å²	80.6	57%	0.57	51%	0.512	S	S	*	.	H	α-helix	trans	-65	-45.2	176.4	173.5	0	0	0	0	110.9	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.47Å; A319-V323 PolarHBondContact O-N 2.71Å; V320-V323 PolarHBondContact O-N 3.05Å; V323-G325 VanDerWaalsContact C-N 3.34Å; V323-G325 PolarHBondContact O-N 2.93Å; V323-A326 PolarHBondContact O-N 3.12Å; V323-V327 HydrophobicContact CG1-CG2 4.44Å; V323-V327 VanDerWaalsContact O-CG2 3.29Å; V323-V327 WeakPolarHBondContact O-CG2 3.2Å; V323-V327 PolarHBondContact O-N 2.88Å
324	L	81.1	Confident	78	Confident	101 Å²	101	87.1 Å²	87.1	53%	0.529	53%	0.525	S	S	.	.	H	α-helix	trans	-61.7	-42.3	176.1	-73.2	168.6	0	0	0	111.8	V320 L321 V327 M328	V320-L324 HydrophobicContact CG1-CD1 3.95Å; V320-L324 WeakPolarHBondContact O-CG 3.48Å; V320-L324 PolarHBondContact O-N 3.3Å; L321-L324 PolarHBondContact O-N 2.85Å; L324-V327 PolarHBondContact O-N 3.01Å; L324-M328 WeakPolarHBondContact O-CB 3.32Å; L324-M328 VanDerWaalsContact O-CG 3.3Å; L324-M328 WeakPolarHBondContact O-CG 3.22Å; L324-M328 PolarHBondContact O-N 2.92Å
325	G	80.6	Confident	77	Confident	42 Å²	42	95.5 Å²	95.5	43%	0.433	55%	0.546	S	S	.	.	H	α-helix	trans	-60.2	-44	174.5	0	0	0	0	0	112.7	L321 A322 V323 M328 A329	L321-G325 PolarHBondContact O-N 3.13Å; A322-G325 PolarHBondContact O-N 3.27Å; V323-G325 VanDerWaalsContact C-N 3.34Å; V323-G325 PolarHBondContact O-N 2.93Å; G325-M328 PolarHBondContact O-N 3.06Å; G325-A329 WeakPolarHBondContact O-CB 3.36Å; G325-A329 PolarHBondContact O-N 3.41Å
326	A	78.3	Confident	75.5	Confident	55 Å²	55	99.2 Å²	99.2	46%	0.455	56%	0.557	S	S	.	*	H	α-helix	trans	-64.8	-42.3	176.8	0	0	0	0	0	112.2	A322 V323 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.47Å; A322-A326 PolarHBondContact O-N 2.64Å; V323-A326 PolarHBondContact O-N 3.12Å; A326-A329 PolarHBondContact O-N 3.16Å; A326-V330 VanDerWaalsContact O-CG2 3.32Å; A326-V330 WeakPolarHBondContact O-CG2 3.44Å; A326-V330 PolarHBondContact O-N 2.82Å
327	V	79.9	Confident	74	Confident	79 Å²	79	101.1 Å²	101.1	48%	0.479	57%	0.568	S	S	.	*	H	α-helix	trans	-62.8	-44.8	176.5	172.2	0	0	0	0	110.6	V323 L324 A329 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.44Å; V323-V327 VanDerWaalsContact O-CG2 3.29Å; V323-V327 WeakPolarHBondContact O-CG2 3.2Å; V323-V327 PolarHBondContact O-N 2.88Å; L324-V327 PolarHBondContact O-N 3.01Å; V327-A329 PolarHBondContact O-N 3.3Å; V327-V330 PolarHBondContact O-N 3.43Å; V327-V331 HydrophobicContact CG1-CG2 4.39Å; V327-V331 WeakPolarHBondContact O-CB 3.32Å; V327-V331 VanDerWaalsContact O-CG2 3.28Å; V327-V331 WeakPolarHBondContact O-CG2 3.39Å; V327-V331 PolarHBondContact O-N 3.15Å
328	M	74.9	Confident	72.4	Confident	120 Å²	120	101.8 Å²	101.8	59%	0.591	58%	0.576	S	S	*	*	H	α-helix	trans	-62.7	-41.2	176.8	-72	-63.4	-71	0	0	112.1	L324 G325 V331 M332	L324-M328 WeakPolarHBondContact O-CB 3.32Å; L324-M328 VanDerWaalsContact O-CG 3.3Å; L324-M328 WeakPolarHBondContact O-CG 3.22Å; L324-M328 PolarHBondContact O-N 2.92Å; G325-M328 PolarHBondContact O-N 3.06Å; M328-V331 PolarHBondContact O-N 3.18Å; M328-M332 WeakPolarHBondContact O-CB 3.34Å; M328-M332 WeakPolarHBondContact O-CG 3.41Å; M328-M332 PolarHBondContact O-N 3.06Å
329	A	73.6	Confident	70.6	Confident	53 Å²	53	99.5 Å²	99.5	44%	0.438	58%	0.58	S	S	.	*	H	α-helix	trans	-63	-42.7	175.2	0	0	0	0	0	112.3	G325 A326 V327 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.36Å; G325-A329 PolarHBondContact O-N 3.41Å; A326-A329 PolarHBondContact O-N 3.16Å; V327-A329 PolarHBondContact O-N 3.3Å; A329-M332 PolarHBondContact O-N 3.29Å; A329-C333 WeakPolarHBondContact O-CB 3.4Å; A329-C333 PolarHBondContact O-N 2.83Å; A329-C333 PolarHBondContact O-SG 3.3Å
330	V	74.2	Confident	68.3	Low	82 Å²	82	101 Å²	101	50%	0.497	60%	0.601	S	S	.	*	H	α-helix	trans	-65.5	-41.3	176.6	170.9	0	0	0	0	111.6	A326 V327 C333 R334	A326-V330 VanDerWaalsContact O-CG2 3.32Å; A326-V330 WeakPolarHBondContact O-CG2 3.44Å; A326-V330 PolarHBondContact O-N 2.82Å; V327-V330 PolarHBondContact O-N 3.43Å; V330-C333 PolarHBondContact O-N 2.96Å; V330-R334 WeakPolarHBondContact O-CB 3.46Å; V330-R334 WeakPolarHBondContact O-CG 3.48Å; V330-R334 PolarHBondContact O-N 3.39Å
331	V	73.5	Confident	65.9	Low	73 Å²	73	107 Å²	107	44%	0.442	62%	0.62	S	S	.	*	H	α-helix	trans	-65.9	-40.1	177.2	171.3	0	0	0	0	111.2	V327 M328 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.39Å; V327-V331 WeakPolarHBondContact O-CB 3.32Å; V327-V331 VanDerWaalsContact O-CG2 3.28Å; V327-V331 WeakPolarHBondContact O-CG2 3.39Å; V327-V331 PolarHBondContact O-N 3.15Å; M328-V331 PolarHBondContact O-N 3.18Å; V331-R334 PolarHBondContact O-N 2.94Å; V331-R335 PolarHBondContact O-N 3.48Å
332	M	71.2	Confident	63.5	Low	134 Å²	134	105.9 Å²	105.9	66%	0.66	63%	0.634	S	S	*	*	H	α-helix	trans	-66.4	-40.8	174.6	-74.2	-173	70.6	0	0	112.4	M328 A329 R334 R335 K336	M328-M332 WeakPolarHBondContact O-CB 3.34Å; M328-M332 WeakPolarHBondContact O-CG 3.41Å; M328-M332 PolarHBondContact O-N 3.06Å; A329-M332 PolarHBondContact O-N 3.29Å; M332-R334 VanDerWaalsContact C-N 3.35Å; M332-R334 PolarHBondContact O-N 3.12Å; M332-R335 PolarHBondContact O-N 3.12Å; M332-K336 PolarHBondContact O-N 2.84Å; M332-K336 VanDerWaalsContact O-N 3.07Å
333	C	62.4	Low	61.1	Low	90 Å²	90	107 Å²	107	61%	0.608	65%	0.652	S	S	*	*	H	α-helix	trans	-62.8	-40.3	173.5	-79	0	0	0	0	112	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.4Å; A329-C333 PolarHBondContact O-N 2.83Å; A329-C333 PolarHBondContact O-SG 3.3Å; V330-C333 PolarHBondContact O-N 2.96Å; C333-K336 PolarHBondContact O-N 3.34Å; C333-S337 PolarHBondContact O-N 3.06Å; C333-S337 PolarHBondContact O-OG 2.77Å
334	R	61.2	Low	58.9	Low	190 Å²	190	107.9 Å²	107.9	72%	0.717	66%	0.663	S	S	*	*	H	α-helix	trans	-69.7	-33.1	176.3	-78.5	-172.8	162	177.9	-3.4	113.7	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.46Å; V330-R334 WeakPolarHBondContact O-CG 3.48Å; V330-R334 PolarHBondContact O-N 3.39Å; V331-R334 PolarHBondContact O-N 2.94Å; M332-R334 VanDerWaalsContact C-N 3.35Å; M332-R334 PolarHBondContact O-N 3.12Å; R334-K336 VanDerWaalsContact C-N 3.31Å; R334-S337 PolarHBondContact O-OG 3.33Å
335	R	56.6	Low	56.7	Low	211 Å²	211	108.7 Å²	108.7	80%	0.796	68%	0.675	S	S	*	*	H	α-helix	trans	-68.6	-28.5	171.2	-97.6	-175.6	170.2	173.6	-2.1	112.9	V331 M332	V331-R335 PolarHBondContact O-N 3.48Å; M332-R335 PolarHBondContact O-N 3.12Å
336	K	50.5	Low	54.3	Low	187 Å²	187	112.8 Å²	112.8	81%	0.813	70%	0.697	S	S	*	*	H	α-helix	trans	-84.1	-19.1	180	-163	165.5	179.9	177.1	0	113.4	M332 C333 R334	M332-K336 PolarHBondContact O-N 2.84Å; M332-K336 VanDerWaalsContact O-N 3.07Å; C333-K336 PolarHBondContact O-N 3.34Å; R334-K336 VanDerWaalsContact C-N 3.31Å
337	S	51.9	Low	52.4	Low	96 Å²	96	119.1 Å²	119.1	67%	0.671	72%	0.717	S	S	*	*	S	Bend	trans	-92.6	2.1	178.3	55.6	0	0	0	0	115.2	C333 R334	C333-S337 PolarHBondContact O-N 3.06Å; C333-S337 PolarHBondContact O-OG 2.77Å; R334-S337 PolarHBondContact O-OG 3.33Å
338	S	49.7	Very low	50	Low	102 Å²	102	120.4 Å²	120.4	71%	0.713	74%	0.737	S	S	*	*	S	Bend	trans	-101.7	28.3	-179.6	72.5	0	0	0	0	114.4
339	G	45.3	Very low	48.1	Very low	65 Å²	65	119.3 Å²	119.3	67%	0.67	75%	0.746	S	S	*	*	S	Bend	trans	-155.8	107.7	175.6	0	0	0	0	0	113.3
340	G	36.3	Very low	46	Very low	89 Å²	89	121.9 Å²	121.9	92%	0.918	76%	0.761	S	S	*	*			trans	117.4	115.7	154.2	0	0	0	0	0	116.2
341	K	35	Very low	44.2	Very low	212 Å²	212	122.9 Å²	122.9	92%	0.922	77%	0.772	S	S	*	*			trans	-107.8	137.4	-178.3	-176.3	165.7	-179.4	172.8	0	109.1
342	G	33.4	Very low	42.4	Very low	82 Å²	82	127 Å²	127	85%	0.845	79%	0.792	S	S	*	*			trans	103.7	137.8	148.2	0	0	0	0	0	118.6
343	G	31.1	Very low	40.9	Very low	90 Å²	90	127 Å²	127	93%	0.928	80%	0.804	S	S	*	*			trans	134.3	119.6	155.1	0	0	0	0	0	115.1
344	S	35.7	Very low	39.7	Very low	113 Å²	113	127.2 Å²	127.2	79%	0.79	81%	0.813	S	S	*	*			trans	-103.6	155	-170.7	178.9	0	0	0	0	113.8
345	C	34.6	Very low	38.5	Very low	118 Å²	118	127.5 Å²	127.5	80%	0.797	82%	0.822	S	S	*	*			trans	32.2	132.3	154.4	-80.8	0	0	0	0	122.9
346	S	31	Very low	37.4	Very low	128 Å²	128	120.4 Å²	120.4	90%	0.895	82%	0.815	S	S	*	*				-161.8	154.7	114.6	-0.3	0	0	0	0	113.2
347	Q	38.4	Very low	36.7	Very low	187 Å²	187	116.7 Å²	116.7	87%	0.874	81%	0.813	S	S	*	*			trans	-103.2	148.6	-169.8	-177.5	178.4	6.8	0	0	110.4
348	A	29.6	Very low	35.8	Very low	107 Å²	107	119.4 Å²	119.4	88%	0.884	82%	0.819	S	S	*	*			trans	-157.7	138.1	153.3	0	0	0	0	0	110.6
349	A	35.4	Very low	34.9	Very low	96 Å²	96	122.9 Å²	122.9	79%	0.793	82%	0.824	S	S	*	*			trans	-116.9	156.4	-173	0	0	0	0	0	111.5
350	S	29.5	Very low	34.3	Very low	108 Å²	108	125.4 Å²	125.4	76%	0.755	83%	0.832	S	S	*	*			trans	-168	106.2	148.6	54.6	0	0	0	0	108.7
351	S	35.2	Very low	34.1	Very low	102 Å²	102	128.8 Å²	128.8	71%	0.713	83%	0.828	S	S	*	*				66.8	104.5	93.8	71	0	0	0	0	114
352	N	36	Very low	34.1	Very low	161 Å²	161	126.8 Å²	126.8	86%	0.861	83%	0.826	S	S	*	*				100.3	118.5	86.5	-95.9	0.4	0	0	0	113.5
353	S	39.5	Very low	34	Very low	132 Å²	132	127.1 Å²	127.1	92%	0.923	82%	0.82	S	S	*	*			trans	-157.9	136.4	131.7	-28.7	0	0	0	0	109.2
354	A	38.7	Very low	34.2	Very low	95 Å²	95	128.8 Å²	128.8	79%	0.785	82%	0.817	S	S	*	*			trans	-107.6	155.8	-168.7	0	0	0	0	0	111.9
355	Q	35.9	Very low	34.2	Very low	196 Å²	196	133.3 Å²	133.3	92%	0.916	82%	0.822	S	S	*	*			trans	-164.2	111.9	134.1	-126.1	157.5	-16.6	0	0	110.9
356	G	32	Very low	34.3	Very low	63 Å²	63	135.8 Å²	135.8	65%	0.649	85%	0.851	S	S	*	*			trans	-78	172.6	150.6	0	0	0	0	0	109
357	S	36.3	Very low	34.5	Very low	109 Å²	109	136.2 Å²	136.2	76%	0.762	85%	0.848	S	S	*	*			cis	-164.1	153.4	23.1	-46.5	0	0	0	0	106.8
358	D	33.4	Very low	34.3	Very low	152 Å²	152	133.5 Å²	133.5	81%	0.813	85%	0.847	S	S	*	*				162	147.3	118	-90.1	-11.7	0	0	0	114.4
359	E	30.4	Very low	34.5	Very low	175 Å²	175	134.9 Å²	134.9	82%	0.818	85%	0.845	S	S	*	*			trans	-22.3	141	172.3	-64.4	-177.7	115.9	0	0	119.3
360	S	32.7	Very low	34.5	Very low	119 Å²	119	137.2 Å²	137.2	83%	0.832	85%	0.848	S	S	*	*				172.7	149.5	95.3	48.8	0	0	0	0	113
361	L	33.2	Very low	34.8	Very low	160 Å²	160	139.1 Å²	139.1	84%	0.838	85%	0.854	S	S	*	*			trans	-47.3	151.3	175.5	-70.7	136.4	0	0	0	115.2
362	I	34.1	Very low	34.7	Very low	169 Å²	169	141.5 Å²	141.5	87%	0.867	86%	0.863	S	S	*	*				-172.8	118.8	112.3	-88.9	156.6	0	0	0	111.9
363	A	31.9	Very low	34.6	Very low	89 Å²	89	140.1 Å²	140.1	74%	0.736	86%	0.863	S	S	*	*			trans	26	130.5	145.2	0	0	0	0	0	124
364	C	34.1	Very low	34.3	Very low	125 Å²	125	140.8 Å²	140.8	85%	0.845	86%	0.859	S	S	*	*			trans	-59.5	156.8	148.1	-58.5	0	0	0	0	113.1
365	K	35.9	Very low	33.9	Very low	209 Å²	209	144.6 Å²	144.6	91%	0.909	87%	0.865	S	S	*	*				-157.3	141.9	124.5	-121.6	175.4	-177.3	178.8	0	113.6
366	A	37	Very low	33.7	Very low	169 Å²	169	139.9 Å²	139.9	100%	1.397	86%	0.86	S	S	*	*			trans	-73	0	162.9	0	0	0	0	0	111.6

Retrieved 366 of 366 residues in 152.3 ms (Link to these results)

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