A0A090MF30_HUMAN Loading...

HLA class I antigen

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

AlphaFold DB , UniProt , Accession A0A090MF30, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 365 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.6	Very low	43.3	Very low	241 Å²	241	143.2 Å²	143.2	100%	1.187	72%	0.718	S	S	*	*				0	121.9	0	-72.2	158.5	165.8	0	0	108.3
2	R	34.5	Very low	43.4	Very low	247 Å²	247	141.9 Å²	141.9	93%	0.932	71%	0.714	S	S	*	*			trans	-85.2	115.3	168.5	-93.5	-179	170.5	162.8	-3.3	107.5	M4	R2-M4 PolarHBondContact O-N 3.2Å; R2-M4 VanDerWaalsContact O-N 3.11Å
3	V	38.5	Very low	43.1	Very low	140 Å²	140	139.1 Å²	139.1	85%	0.848	70%	0.702	S	S	*	*			trans	-72.6	102.3	171	179.4	0	0	0	0	107.3	A5	V3-A5 PolarHBondContact O-N 3.15Å
4	M	40.4	Very low	43.1	Very low	176 Å²	176	133.8 Å²	133.8	87%	0.867	68%	0.684	S	S	*	*			trans	-84.5	98.1	177.5	-167	167.3	68.9	0	0	107.8	R2	R2-M4 PolarHBondContact O-N 3.2Å; R2-M4 VanDerWaalsContact O-N 3.11Å
5	A	46	Very low	43	Very low	58 Å²	58	127.3 Å²	127.3	48%	0.479	66%	0.664	S	S	.	*			trans	-57.2	139.8	176.5	0	0	0	0	0	110.2	V3 R7	V3-A5 PolarHBondContact O-N 3.15Å; A5-R7 PolarHBondContact O-N 2.92Å
6	P	43.2	Very low	42.7	Very low	74 Å²	74	122.6 Å²	122.6	48%	0.481	65%	0.649	S	S	.	*			trans	-63	126.2	-178.3	-19.6	31.6	0	0	0	110.6	T8 L9	P6-T8 PolarHBondContact O-N 2.69Å; P6-T8 VanDerWaalsContact O-N 3.09Å; P6-L9 WeakPolarHBondContact O-CB 3.47Å; P6-L9 PolarHBondContact O-N 2.66Å
7	R	49.5	Very low	42.3	Very low	217 Å²	217	122.1 Å²	122.1	82%	0.819	65%	0.646	S	S	*	*	H	α-helix	trans	-55.9	-27.2	176.4	-83.5	177.8	161.2	146.9	-7.2	113	A5 I10 L11	A5-R7 PolarHBondContact O-N 2.92Å; R7-I10 PolarHBondContact O-N 3.17Å; R7-L11 PolarHBondContact O-N 3.03Å
8	T	49.2	Very low	42	Very low	98 Å²	98	118.6 Å²	118.6	60%	0.601	64%	0.637	S	S	*	*	H	α-helix	trans	-64.9	-34.6	173.1	39.5	0	0	0	0	113.7	P6 L12	P6-T8 PolarHBondContact O-N 2.69Å; P6-T8 VanDerWaalsContact O-N 3.09Å; T8-L12 WeakPolarHBondContact O-CG 3.36Å; T8-L12 PolarHBondContact O-N 2.81Å
9	L	42.3	Very low	41.7	Very low	103 Å²	103	117.9 Å²	117.9	54%	0.539	63%	0.633	S	S	.	*	H	α-helix	trans	-70.3	-36.1	179.1	-140.7	87.5	0	0	0	111.6	P6 L13	P6-L9 WeakPolarHBondContact O-CB 3.47Å; P6-L9 PolarHBondContact O-N 2.66Å; L9-L13 WeakPolarHBondContact O-CG 3.47Å; L9-L13 PolarHBondContact O-N 2.89Å; L9-L13 VanDerWaalsContact O-N 3.16Å
10	I	48.2	Very low	41.4	Very low	96 Å²	96	116.5 Å²	116.5	49%	0.492	63%	0.628	S	S	.	*	H	α-helix	trans	-68.6	-42.6	179.1	-61.6	173.6	0	0	0	110.3	R7 L13 S14	R7-I10 PolarHBondContact O-N 3.17Å; I10-L13 PolarHBondContact O-N 3.26Å; I10-S14 PolarHBondContact O-N 3.43Å; I10-S14 PolarHBondContact O-OG 2.9Å
11	L	49.6	Very low	41.1	Very low	125 Å²	125	118.9 Å²	118.9	65%	0.654	64%	0.635	S	S	*	*	H	α-helix	trans	-64.2	-39.2	177	-75.2	164.9	0	0	0	113	R7 S14 G15	R7-L11 PolarHBondContact O-N 3.03Å; L11-S14 PolarHBondContact O-N 3.31Å; L11-G15 PolarHBondContact O-N 3.18Å
12	L	44.9	Very low	41.4	Very low	128 Å²	128	112.4 Å²	112.4	67%	0.67	61%	0.61	S	S	*	*	H	α-helix	trans	-64.1	-40.4	174.8	-75.6	165.9	0	0	0	112.1	T8 G15 A16	T8-L12 WeakPolarHBondContact O-CG 3.36Å; T8-L12 PolarHBondContact O-N 2.81Å; L12-G15 PolarHBondContact O-N 2.77Å; L12-A16 WeakPolarHBondContact O-CB 3.37Å; L12-A16 PolarHBondContact O-N 3Å
13	L	39.1	Very low	42.2	Very low	105 Å²	105	105.6 Å²	105.6	55%	0.55	58%	0.584	S	S	.	*	H	α-helix	trans	-66.7	-35.5	173.9	-74.4	163.6	0	0	0	112.3	L9 I10 L17	L9-L13 WeakPolarHBondContact O-CG 3.47Å; L9-L13 PolarHBondContact O-N 2.89Å; L9-L13 VanDerWaalsContact O-N 3.16Å; I10-L13 PolarHBondContact O-N 3.26Å; L13-L17 WeakPolarHBondContact O-CB 3.14Å; L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 3.41Å
14	S	42.8	Very low	42.9	Very low	65 Å²	65	101.3 Å²	101.3	46%	0.455	56%	0.564	S	S	.	*	H	α-helix	trans	-65.4	-43.4	174.3	-56.4	0	0	0	0	112.5	I10 L11 L17 A18	I10-S14 PolarHBondContact O-N 3.43Å; I10-S14 PolarHBondContact O-OG 2.9Å; L11-S14 PolarHBondContact O-N 3.31Å; S14-L17 PolarHBondContact O-N 3.41Å; S14-A18 WeakPolarHBondContact O-CB 3.3Å; S14-A18 PolarHBondContact O-N 2.65Å; S14-A18 VanDerWaalsContact O-N 3.09Å
15	G	41.6	Very low	44.4	Very low	37 Å²	37	95.8 Å²	95.8	38%	0.381	54%	0.541	S	S	.	.	H	α-helix	trans	-65.7	-41.2	176.2	0	0	0	0	0	112.7	L11 L12 A18 L19	L11-G15 PolarHBondContact O-N 3.18Å; L12-G15 PolarHBondContact O-N 2.77Å; G15-A18 PolarHBondContact O-N 2.84Å; G15-L19 WeakPolarHBondContact O-CB 3.47Å; G15-L19 PolarHBondContact O-N 2.8Å
16	A	39.2	Very low	46.5	Very low	51 Å²	51	96.6 Å²	96.6	42%	0.421	54%	0.543	S	S	.	.	H	α-helix	trans	-64.3	-42.8	175.8	0	0	0	0	0	112.4	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.37Å; L12-A16 PolarHBondContact O-N 3Å; A16-L19 PolarHBondContact O-N 2.9Å; A16-T20 WeakPolarHBondContact O-CG2 3.42Å; A16-T20 PolarHBondContact O-N 2.91Å; A16-T20 PolarHBondContact O-OG1 3.01Å
17	L	35.2	Very low	49	Very low	114 Å²	114	94.6 Å²	94.6	60%	0.597	53%	0.528	S	S	*	.	H	α-helix	trans	-63.6	-43.3	177.3	-79.4	163.6	0	0	0	112.2	L13 S14 L19 T20 E21	L13-L17 WeakPolarHBondContact O-CB 3.14Å; L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 3.41Å; S14-L17 PolarHBondContact O-N 3.41Å; L17-L19 VanDerWaalsContact C-N 3.28Å; L17-L19 PolarHBondContact O-N 3.19Å; L17-T20 WeakPolarHBondContact CA-OG1 3.31Å; L17-T20 PolarHBondContact O-N 3.38Å; L17-T20 VanDerWaalsContact O-N 3.12Å; L17-T20 PolarHBondContact O-OG1 3.21Å; L17-E21 PolarHBondContact O-N 2.94Å; L17-E21 VanDerWaalsContact O-N 3.11Å
18	A	37.1	Very low	51.3	Low	59 Å²	59	85.4 Å²	85.4	49%	0.488	50%	0.497	S	S	.	.	H	α-helix	trans	-64	-31.2	175.5	0	0	0	0	0	113.2	S14 G15	S14-A18 WeakPolarHBondContact O-CB 3.3Å; S14-A18 PolarHBondContact O-N 2.65Å; S14-A18 VanDerWaalsContact O-N 3.09Å; G15-A18 PolarHBondContact O-N 2.84Å
19	L	37	Very low	53.6	Low	107 Å²	107	80.7 Å²	80.7	56%	0.56	47%	0.468	S	S	*	.	H	α-helix	trans	-76.3	-25	172.9	-83.8	160.7	0	0	0	113.3	G15 A16 L17 T22 W23	G15-L19 WeakPolarHBondContact O-CB 3.47Å; G15-L19 PolarHBondContact O-N 2.8Å; A16-L19 PolarHBondContact O-N 2.9Å; L17-L19 VanDerWaalsContact C-N 3.28Å; L17-L19 PolarHBondContact O-N 3.19Å; L19-T22 PolarHBondContact O-OG1 2.71Å; L19-W23 VanDerWaalsContact O-CD1 3.23Å
20	T	35.3	Very low	56.3	Low	89 Å²	89	78.2 Å²	78.2	55%	0.546	45%	0.451	S	S	.	.	H	α-helix	trans	-84.8	-27.5	177	51.4	0	0	0	0	114.3	A16 L17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.42Å; A16-T20 PolarHBondContact O-N 2.91Å; A16-T20 PolarHBondContact O-OG1 3.01Å; L17-T20 WeakPolarHBondContact CA-OG1 3.31Å; L17-T20 PolarHBondContact O-N 3.38Å; L17-T20 VanDerWaalsContact O-N 3.12Å; L17-T20 PolarHBondContact O-OG1 3.21Å; T20-T22 VanDerWaalsContact C-N 3.34Å
21	E	35.7	Very low	58.7	Low	166 Å²	166	73.9 Å²	73.9	78%	0.776	43%	0.429	S	S	*	.	H	α-helix	trans	-72.4	-24.9	178.6	-87.1	-171.4	146.5	0	0	113.5	L17 W23	L17-E21 PolarHBondContact O-N 2.94Å; L17-E21 VanDerWaalsContact O-N 3.11Å; E21-W23 VanDerWaalsContact C-N 3.25Å; E21-W23 PolarHBondContact O-N 3.11Å
22	T	40.6	Very low	61.1	Low	106 Å²	106	72.1 Å²	72.1	65%	0.65	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-1.6	179.7	51.2	0	0	0	0	114.7	L19 T20	L19-T22 PolarHBondContact O-OG1 2.71Å; T20-T22 VanDerWaalsContact C-N 3.34Å
23	W	50	Low	63.6	Low	104 Å²	104	66.5 Å²	66.5	39%	0.394	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	8.2	-173	-80.4	76.3	0	0	0	114.5	L19 E21 C25 H287 E288 L290	L19-W23 VanDerWaalsContact O-CD1 3.23Å; E21-W23 VanDerWaalsContact C-N 3.25Å; E21-W23 PolarHBondContact O-N 3.11Å; W23-C25 PolarHBondContact O-N 3.48Å; W23-H287 WeakPolarHBondContact CH2-O 3.5Å; W23-H287 WeakPolarHBondContact CZ2-O 3.39Å; W23-E288 HydrophobicContact CE3-CG 4.48Å; W23-E288 VanDerWaalsContact CH2-CA 3.43Å; W23-E288 WeakPolarHBondContact CH2-O 3.34Å; W23-E288 HydrophobicContact CZ3-CG 4.33Å; W23-E288 WeakPolarHBondContact CZ3-O 3.46Å; W23-L290 WeakPolarHBondContact CH2-O 3.27Å; W23-L290 WeakPolarHBondContact CZ2-O 3.39Å
24	A	53.6	Low	66.5	Low	50 Å²	50	63.5 Å²	63.5	41%	0.413	37%	0.372	S	S	.	.	S	Bend	trans	-87.8	100.2	176.4	0	0	0	0	0	108.6	S26 P129	A24-S26 PolarHBondContact O-N 3.49Å; A24-P129 HydrophobicContact CB-CB 3.99Å; A24-P129 HydrophobicContact CB-CG 3.29Å
25	C	71.9	Confident	69.2	Low	59 Å²	59	60.5 Å²	60.5	40%	0.399	35%	0.351	S	S	.	.			trans	-49.6	108.8	-173.2	-50.3	0	0	0	0	111.8	W23 E288	W23-C25 PolarHBondContact O-N 3.48Å; C25-E288 PolarHBondContact SG-OE1 2.92Å
26	S	90.8	Very high	71.9	Confident	75 Å²	75	61.1 Å²	61.1	52%	0.524	35%	0.347	S	S	.	.			trans	-92.2	148.8	167.1	63.1	0	0	0	0	109.1	A24 L127	A24-S26 PolarHBondContact O-N 3.49Å; S26-L127 WeakPolarHBondContact CA-O 3.23Å; S26-L127 VanDerWaalsContact CB-O 3.3Å; S26-L127 WeakPolarHBondContact CB-O 3.45Å
27	H	95.4	Very high	74.7	Confident	32 Å²	32	59.5 Å²	59.5	15%	0.148	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	147.5	179.7	-70.1	-72.9	0	0	0	110.6	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.25Å; H27-D53 WeakPolarHBondContact CA-OD1 3.46Å; H27-D53 IonicContact CE1-OD2 3.35Å; H27-D53 IonicContact CG-OD2 3.13Å; H27-D53 IonicContact ND1-OD1 3.57Å; H27-D53 IonicContact ND1-OD2 3.45Å; H27-D53 PolarHBondContact ND1-OD2 2.95Å; H27-D126 CarbonylContact O-C 3.58Å; H27-D126 WeakPolarHBondContact O-CA 3.41Å; H27-L127 PolarHBondContact N-O 2.84Å; H27-L127 VanDerWaalsContact N-O 3.17Å; H27-L127 PolarHBondContact O-N 3.19Å; H27-L192 HydrophobicContact CB-CD1 4.48Å; H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 3.99Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.27Å
28	S	97.5	Very high	77.6	Confident	24 Å²	24	57.6 Å²	57.6	17%	0.168	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	150.4	-178.7	68.1	0	0	0	0	112.2	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.39Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.28Å; S28-D53 PolarHBondContact N-OD1 2.91Å; S28-D53 PolarHBondContact O-N 2.99Å; S28-C125 CarbonylContact C-O 3.55Å; S28-C125 WeakPolarHBondContact CA-O 3.38Å; S28-D126 WeakPolarHBondContact CB-OD1 3.01Å
29	M	98.6	Very high	80.2	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	116.9	166.7	-178.9	173	59.6	0	0	108.2	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.2Å; M29-Y31 HydrophobicContact CG-CE2 3.99Å; M29-Y31 HydrophobicContact SD-CE2 3.92Å; M29-Y51 WeakPolarHBondContact CA-O 3.48Å; M29-V52 HydrophobicContact CG-CG2 4.36Å; M29-F57 HydrophobicContact CG-CE1 4.43Å; M29-F57 HydrophobicContact SD-CZ 4.4Å; M29-G124 CarbonylContact O-C 3.48Å; M29-G124 WeakPolarHBondContact O-CA 3.49Å; M29-C125 PolarHBondContact N-O 2.87Å; M29-C125 PolarHBondContact O-N 3.24Å; M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 WeakPolarHBondContact CE-O 3.19Å; M29-C188 WeakPolarHBondContact CE-SG 3.44Å; M29-W191 HydrophobicContact CE-CB 4.14Å; M29-W191 HydrophobicContact SD-CB 4.48Å; M29-L192 HydrophobicContact CB-CB 4.02Å; M29-L192 HydrophobicContact CB-CD1 4.05Å; M29-L192 HydrophobicContact CB-CD2 3.91Å; M29-L192 HydrophobicContact CB-CG 4.21Å; M29-L192 HydrophobicContact CE-CB 4.25Å; M29-L192 HydrophobicContact SD-CB 4.47Å; M29-Y195 HydrophobicContact SD-CD2 3.76Å; M29-Y195 HydrophobicContact SD-CE2 3.51Å; M29-Y195 VanDerWaalsContact SD-CE2 3.51Å
30	R	98.6	Very high	82.8	Confident	50 Å²	50	56.4 Å²	56.4	19%	0.189	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.4	-174.8	-54.5	-61.2	-172.7	75.4	1.5	110.4	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.47Å; R30-F32 HydrophobicContact CB-CE2 3.64Å; R30-F32 HydrophobicContact CB-CZ 3.93Å; R30-G50 WeakPolarHBondContact O-CA 3.4Å; R30-Y51 PolarHBondContact N-O 2.96Å; R30-Y51 PolarHBondContact O-N 3.36Å; R30-D126 IonicContact CZ-OD1 3.83Å; R30-D126 VanDerWaalsContact CZ-OD1 3.24Å; R30-D126 IonicContact CZ-OD2 2.78Å; R30-D126 IonicContact NE-OD1 3.06Å; R30-D126 PolarHBondContact NE-OD1 2.93Å; R30-D126 IonicContact NH2-OD1 3.9Å; R30-D126 PolarHBondContact NH2-OD1 2.86Å; R30-D126 IonicContact NH2-OD2 3.5Å; R30-D126 PolarHBondContact NH2-OD2 3.2Å; R30-Y137 VanDerWaalsContact NH2-CE2 3.29Å; R30-Y137 PolarHBondContact NH2-OH 2.78Å
31	Y	98.8	Very high	85.6	Confident	6 Å²	6	62 Å²	62	2%	0.024	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	131.7	171.9	-69.9	-91.2	0	0	0	109.5	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.2Å; M29-Y31 HydrophobicContact CG-CE2 3.99Å; M29-Y31 HydrophobicContact SD-CE2 3.92Å; Y31-Y33 HydrophobicContact CD1-CE1 4.34Å; Y31-V49 WeakPolarHBondContact CA-O 3.47Å; Y31-F57 HydrophobicContact CE1-CZ 4.04Å; Y31-F57 AromaticContact CZ-CZ 3.86Å; Y31-V58 HydrophobicContact CE1-CG1 4.11Å; Y31-M122 WeakPolarHBondContact O-CA 3.37Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.5Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.5Å; Y31-Y123 HydrophobicContact CD2-CD2 4.42Å; Y31-Y123 AromaticContact CD2-CE2 3.61Å; Y31-Y123 HydrophobicContact CD2-CE2 3.61Å; Y31-Y123 AromaticContact CD2-CZ 3.67Å; Y31-Y123 HydrophobicContact CE2-CE2 4.33Å; Y31-Y123 HydrophobicContact CG-CE1 4.18Å; Y31-Y123 HydrophobicContact CG-CE2 4.08Å; Y31-Y123 AromaticContact CG-CZ 3.65Å; Y31-Y123 PolarHBondContact N-O 3.36Å; Y31-Y123 PolarHBondContact O-N 2.93Å; Y31-Y123 VanDerWaalsContact O-N 3.1Å
32	F	98.9	Very high	88.3	Confident	87 Å²	87	56.9 Å²	56.9	38%	0.382	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	117.2	178.4	-56.3	-95.3	0	0	0	109	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.47Å; R30-F32 HydrophobicContact CB-CE2 3.64Å; R30-F32 HydrophobicContact CB-CZ 3.93Å; F32-A48 WeakPolarHBondContact O-CA 3.41Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.38Å; F32-V49 PolarHBondContact N-O 3.05Å; F32-V49 PolarHBondContact O-N 2.92Å; F32-Y51 HydrophobicContact CD2-CD2 4.12Å; F32-Y51 HydrophobicContact CE2-CD2 4.15Å; F32-R121 WeakPolarHBondContact CA-O 3.49Å; F32-M122 HydrophobicContact CD1-CB 4.04Å; F32-M122 HydrophobicContact CD1-CG 3.63Å; F32-M122 HydrophobicContact CE1-CB 4.19Å; F32-M122 HydrophobicContact CE1-CG 3.38Å; F32-M122 HydrophobicContact CG-CG 4.45Å; F32-M122 HydrophobicContact CZ-CG 4.04Å
33	Y	98.8	Very high	90.8	Very high	11 Å²	11	56.5 Å²	56.5	4%	0.043	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	138.7	177.4	-59.1	-14.4	0	0	0	109.6	Y31 F46 I47 A48 Y91 Q94 Q120 R121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.34Å; Y33-F46 HydrophobicContact CD1-CZ 4.23Å; Y33-F46 HydrophobicContact CD2-CE2 4.19Å; Y33-F46 HydrophobicContact CD2-CZ 4Å; Y33-F46 HydrophobicContact CE2-CZ 4.4Å; Y33-F46 HydrophobicContact CG-CE2 4.1Å; Y33-F46 AromaticContact CG-CZ 3.88Å; Y33-F46 HydrophobicContact CG-CZ 3.88Å; Y33-I47 WeakPolarHBondContact CA-O 3.31Å; Y33-A48 HydrophobicContact CD1-CB 3.3Å; Y33-A48 HydrophobicContact CE1-CB 3.43Å; Y33-A48 VanDerWaalsContact CE1-CB 3.43Å; Y33-A48 HydrophobicContact CG-CB 4.26Å; Y33-Y91 HydrophobicContact CE1-CD1 4.16Å; Y33-Y91 AromaticContact CE1-CE1 3.8Å; Y33-Y91 HydrophobicContact CE1-CE1 3.8Å; Y33-Y91 AromaticContact CZ-CE1 3.95Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.27Å; Y33-Q94 HydrophobicContact CD2-CG 3.62Å; Y33-Q94 HydrophobicContact CE2-CB 4.35Å; Y33-Q94 HydrophobicContact CE2-CG 3.66Å; Y33-Q120 CarbonylContact O-C 3.56Å; Y33-Q120 VanDerWaalsContact O-CA 3.29Å; Y33-Q120 WeakPolarHBondContact O-CA 3.43Å; Y33-R121 PolarHBondContact N-O 3.37Å; Y33-R121 PolarHBondContact O-N 3.04Å; Y33-Y123 HydrophobicContact CD2-CE1 4.18Å; Y33-Y123 HydrophobicContact CE1-CE1 4.16Å; Y33-Y123 AromaticContact CE2-CE1 3.58Å; Y33-Y123 HydrophobicContact CE2-CE1 3.58Å; Y33-Y123 AromaticContact CZ-CE1 3.59Å; Y33-Y123 PolarHBondContact OH-OH 2.87Å
34	T	98.9	Very high	93.1	Very high	42 Å²	42	52.9 Å²	52.9	26%	0.258	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	121	177.4	-58.1	0	0	0	0	109.3	V36 F46 I47 T118 Q120	T34-V36 HydrophobicContact CG2-CG2 3.97Å; T34-F46 WeakPolarHBondContact O-CA 3.01Å; T34-I47 PolarHBondContact N-O 2.83Å; T34-I47 PolarHBondContact O-N 2.91Å; T34-T118 HydrophobicContact CG2-CG2 4.01Å; T34-Q120 HydrophobicContact CG2-CG 4.06Å
35	A	98.8	Very high	95.2	Very high	2 Å²	2	55.3 Å²	55.3	2%	0.017	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.8	174.3	0	0	0	0	0	110	R45 F46 D98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.56Å; A35-R45 VanDerWaalsContact CA-O 3.3Å; A35-R45 WeakPolarHBondContact CA-O 3.34Å; A35-F46 HydrophobicContact CB-CD2 4.32Å; A35-D98 HydrophobicContact CB-CB 3.7Å; A35-L102 HydrophobicContact CB-CD1 3.93Å; A35-T118 WeakPolarHBondContact O-CA 3.35Å; A35-L119 HydrophobicContact CB-CB 4.48Å; A35-L119 PolarHBondContact N-O 3.44Å; A35-L119 PolarHBondContact O-N 2.78Å
36	V	98.6	Very high	96.5	Very high	49 Å²	49	52.6 Å²	52.6	30%	0.297	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	116.2	-177.8	-172.9	0	0	0	0	109.7	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 3.97Å; V36-P44 CarbonylContact O-C 3.55Å; V36-P44 WeakPolarHBondContact O-CA 3.48Å; V36-P44 WeakPolarHBondContact O-CB 3.23Å; V36-R45 PolarHBondContact N-O 2.82Å; V36-R45 PolarHBondContact O-N 2.8Å; V36-H117 WeakPolarHBondContact CA-O 3.33Å; V36-T118 HydrophobicContact CG2-CG2 4.27Å
37	S	97.9	Very high	96.9	Very high	18 Å²	18	51.4 Å²	51.4	13%	0.126	28%	0.279	C	S	.	.			trans	-70.1	143.8	173.4	70.6	0	0	0	0	110.7	G115 S116 H117	S37-G115 PolarHBondContact OG-O 2.66Å; S37-S116 PolarHBondContact O-OG 3.43Å; S37-H117 PolarHBondContact N-O 2.71Å; S37-H117 PolarHBondContact OG-N 2.73Å; S37-H117 PolarHBondContact OG-O 2.87Å
38	R	96.1	Very high	97.1	Very high	73 Å²	73	49.9 Å²	49.9	28%	0.275	27%	0.272	S	S	.	.			trans	-136.4	76	-179.5	52.4	173.3	172.7	-156.7	-15.4	111.1	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 2.84Å; R38-R41 HydrophobicContact CB-CB 4.1Å; R38-R41 VanDerWaalsContact CD-O 3.32Å; R38-R41 WeakPolarHBondContact CD-O 3.4Å; R38-R41 HydrophobicContact CG-CB 4.15Å; R38-R41 PolarHBondContact NE-O 2.79Å; R38-R41 WeakPolarHBondContact O-CA 3.11Å; R38-R41 PolarHBondContact O-N 2.96Å; R38-E43 VanDerWaalsContact CZ-O 3.26Å; R38-E43 PolarHBondContact NE-O 2.78Å; R38-E43 PolarHBondContact NH2-O 2.14Å; R38-D63 IonicContact CZ-OD1 3.56Å; R38-D63 IonicContact CZ-OD2 2.64Å; R38-D63 IonicContact NH1-OD1 3.74Å; R38-D63 IonicContact NH1-OD2 3.76Å; R38-D63 PolarHBondContact NH1-OD2 3.3Å; R38-D63 IonicContact NH2-OD1 3.91Å; R38-D63 PolarHBondContact NH2-OD1 2.86Å; R38-D63 IonicContact NH2-OD2 3.59Å; R38-D63 PolarHBondContact NH2-OD2 2.96Å
39	P	92.7	Very high	97.1	Very high	49 Å²	49	50 Å²	50	32%	0.318	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	135.9	-179.1	-28.6	37	0	0	0	112.4	R41 E113 G115	P39-R41 PolarHBondContact O-N 2.79Å; P39-R41 VanDerWaalsContact O-N 3.14Å; P39-E113 WeakPolarHBondContact CB-O 3.44Å; P39-E113 WeakPolarHBondContact CG-O 3.35Å; P39-G115 VanDerWaalsContact CG-O 3.24Å; P39-G115 WeakPolarHBondContact CG-O 3.48Å
40	G	91.5	Very high	97.1	Very high	92 Å²	92	50 Å²	50	95%	0.948	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	-0.9	-175.6	0	0	0	0	0	116.3	R38	R38-G40 PolarHBondContact O-N 2.84Å
41	R	93.3	Very high	97.1	Very high	208 Å²	208	51 Å²	51	79%	0.785	28%	0.276	S	S	*	.	S	Bend	trans	-123.2	24.8	-177.6	-58	-175	-179	-171.7	0.6	113.8	R38 P39	R38-R41 HydrophobicContact CB-CB 4.1Å; R38-R41 VanDerWaalsContact CD-O 3.32Å; R38-R41 WeakPolarHBondContact CD-O 3.4Å; R38-R41 HydrophobicContact CG-CB 4.15Å; R38-R41 PolarHBondContact NE-O 2.79Å; R38-R41 WeakPolarHBondContact O-CA 3.11Å; R38-R41 PolarHBondContact O-N 2.96Å; P39-R41 PolarHBondContact O-N 2.79Å; P39-R41 VanDerWaalsContact O-N 3.14Å
42	G	92.2	Very high	97.1	Very high	58 Å²	58	50.7 Å²	50.7	60%	0.598	28%	0.275	S	S	*	.	S	Bend	trans	90.8	-160.1	178.4	0	0	0	0	0	113.9
43	E	94.9	Very high	96.9	Very high	97 Å²	97	47.9 Å²	47.9	45%	0.453	26%	0.264	S	S	.	.	S	Bend	trans	-71.8	153.9	-174.7	-64.1	-56.5	163.3	0	0	113.1	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.26Å; R38-E43 PolarHBondContact NE-O 2.78Å; R38-E43 PolarHBondContact NH2-O 2.14Å; E43-R45 PolarHBondContact O-N 3.21Å; E43-R99 VanDerWaalsContact CD-CZ 3.46Å; E43-R99 VanDerWaalsContact CD-NE 3.31Å; E43-R99 IonicContact OE1-CZ 2.81Å; E43-R99 IonicContact OE1-NE 2.86Å; E43-R99 IonicContact OE1-NH2 3.76Å; E43-R99 PolarHBondContact OE1-NH2 3.23Å; E43-R99 WeakPolarHBondContact OE2-CD 3.25Å; E43-R99 IonicContact OE2-CZ 3.24Å; E43-R99 VanDerWaalsContact OE2-CZ 3.24Å; E43-R99 IonicContact OE2-NE 2.8Å; E43-R99 PolarHBondContact OE2-NE 3.16Å; E43-R99 IonicContact OE2-NH2 2.77Å; E43-R99 PolarHBondContact OE2-NH2 3.2Å
44	P	97.3	Very high	96.8	Very high	28 Å²	28	50.3 Å²	50.3	18%	0.182	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-51.8	131.5	175.1	-25.9	34.7	0	0	0	112.1	V36 R99 L102	V36-P44 CarbonylContact O-C 3.55Å; V36-P44 WeakPolarHBondContact O-CA 3.48Å; V36-P44 WeakPolarHBondContact O-CB 3.23Å; P44-R99 HydrophobicContact CG-CB 4.38Å; P44-R99 HydrophobicContact CG-CG 4.22Å; P44-L102 HydrophobicContact CB-CD1 3.7Å; P44-L102 HydrophobicContact CG-CD1 3.88Å
45	R	98.4	Very high	96.7	Very high	101 Å²	101	49.4 Å²	49.4	38%	0.381	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	128.7	173.9	-177.1	-179.2	-176.3	-172.9	0.3	108.4	A35 V36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.56Å; A35-R45 VanDerWaalsContact CA-O 3.3Å; A35-R45 WeakPolarHBondContact CA-O 3.34Å; V36-R45 PolarHBondContact N-O 2.82Å; V36-R45 PolarHBondContact O-N 2.8Å; E43-R45 PolarHBondContact O-N 3.21Å; R45-I47 HydrophobicContact CG-CG1 4.28Å; R45-D61 IonicContact CZ-OD1 2.86Å; R45-D61 IonicContact CZ-OD2 2.88Å; R45-D61 IonicContact NE-OD1 3.51Å; R45-D61 PolarHBondContact NE-OD1 2.87Å; R45-D61 IonicContact NE-OD2 2.71Å; R45-D61 PolarHBondContact NE-OD2 2.87Å; R45-D61 IonicContact NH2-OD1 3.26Å; R45-D61 IonicContact NH2-OD2 3.95Å; R45-D61 PolarHBondContact NH2-OD2 2.76Å; R45-S62 WeakPolarHBondContact CA-OG 3.31Å; R45-D63 VanDerWaalsContact CD-OD2 3.27Å; R45-D63 WeakPolarHBondContact CD-OD2 3.32Å; R45-D63 HydrophobicContact CG-CB 4.38Å; R45-D63 IonicContact NE-OD2 3.26Å
46	F	98.8	Very high	96.6	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.009	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.4	176.6	174.2	-90.2	0	0	0	109.7	Y33 T34 A35 A48 F60 S62 Y91 Q94 A95 D98	Y33-F46 HydrophobicContact CD1-CZ 4.23Å; Y33-F46 HydrophobicContact CD2-CE2 4.19Å; Y33-F46 HydrophobicContact CD2-CZ 4Å; Y33-F46 HydrophobicContact CE2-CZ 4.4Å; Y33-F46 HydrophobicContact CG-CE2 4.1Å; Y33-F46 AromaticContact CG-CZ 3.88Å; Y33-F46 HydrophobicContact CG-CZ 3.88Å; T34-F46 WeakPolarHBondContact O-CA 3.01Å; A35-F46 HydrophobicContact CB-CD2 4.32Å; F46-A48 HydrophobicContact CE1-CB 3.71Å; F46-A48 HydrophobicContact CZ-CB 3.9Å; F46-F60 AromaticContact CD1-CD1 3.74Å; F46-F60 HydrophobicContact CD1-CD1 3.74Å; F46-F60 AromaticContact CD1-CE1 3.82Å; F46-F60 HydrophobicContact CD1-CE1 3.82Å; F46-F60 AromaticContact CE1-CD1 3.93Å; F46-F60 HydrophobicContact CE1-CD1 3.93Å; F46-F60 HydrophobicContact CE1-CE1 4.29Å; F46-S62 PolarHBondContact N-OG 2.83Å; F46-S62 PolarHBondContact O-N 2.81Å; F46-S62 PolarHBondContact O-OG 3.27Å; F46-Y91 HydrophobicContact CE1-CD1 4.39Å; F46-Q94 HydrophobicContact CE2-CB 4.21Å; F46-Q94 HydrophobicContact CE2-CG 3.71Å; F46-Q94 HydrophobicContact CZ-CB 3.98Å; F46-Q94 HydrophobicContact CZ-CG 3.83Å; F46-A95 HydrophobicContact CB-CB 3.68Å; F46-A95 HydrophobicContact CD1-CB 3.86Å; F46-A95 HydrophobicContact CD2-CB 4.16Å; F46-A95 HydrophobicContact CG-CB 3.63Å; F46-D98 VanDerWaalsContact CE2-OD2 3.26Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.46Å
47	I	98.8	Very high	96.6	Very high	51 Å²	51	49.4 Å²	49.4	26%	0.262	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	134.9	174.1	-56.6	175.3	0	0	0	107.8	Y33 T34 R45 F60	Y33-I47 WeakPolarHBondContact CA-O 3.31Å; T34-I47 PolarHBondContact N-O 2.83Å; T34-I47 PolarHBondContact O-N 2.91Å; R45-I47 HydrophobicContact CG-CG1 4.28Å; I47-F60 WeakPolarHBondContact CA-O 3.39Å
48	A	98.8	Very high	96.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	137.4	170.7	0	0	0	0	0	110.3	F32 Y33 F46 Q59 F60 Y91	F32-A48 WeakPolarHBondContact O-CA 3.41Å; Y33-A48 HydrophobicContact CD1-CB 3.3Å; Y33-A48 HydrophobicContact CE1-CB 3.43Å; Y33-A48 VanDerWaalsContact CE1-CB 3.43Å; Y33-A48 HydrophobicContact CG-CB 4.26Å; F46-A48 HydrophobicContact CE1-CB 3.71Å; F46-A48 HydrophobicContact CZ-CB 3.9Å; A48-Q59 CarbonylContact O-C 3.57Å; A48-Q59 WeakPolarHBondContact O-CA 3.48Å; A48-F60 HydrophobicContact CB-CB 4.28Å; A48-F60 PolarHBondContact N-O 3.08Å; A48-F60 PolarHBondContact O-N 2.97Å; A48-Y91 HydrophobicContact CB-CD1 3.67Å; A48-Y91 HydrophobicContact CB-CE1 3.7Å
49	V	98.8	Very high	96.7	Very high	27 Å²	27	47.6 Å²	47.6	16%	0.164	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	147.2	171	-63.3	0	0	0	0	109.9	Y31 F32 Y51 Q56 V58 Q59	Y31-V49 WeakPolarHBondContact CA-O 3.47Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.38Å; F32-V49 PolarHBondContact N-O 3.05Å; F32-V49 PolarHBondContact O-N 2.92Å; V49-Y51 HydrophobicContact CB-CE2 4.11Å; V49-Y51 HydrophobicContact CG2-CD2 4.37Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.34Å; V49-V58 WeakPolarHBondContact CA-O 2.95Å; V49-Q59 HydrophobicContact CG1-CG 4.13Å
50	G	98.6	Very high	97	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	138.4	176.2	0	0	0	0	0	111	R30 F57 V58	R30-G50 WeakPolarHBondContact O-CA 3.4Å; G50-F57 VanDerWaalsContact C-CD1 3.42Å; G50-F57 WeakPolarHBondContact O-CD1 3.32Å; G50-F57 PolarHBondContact O-N 2.84Å; G50-V58 PolarHBondContact N-O 2.8Å; G50-V58 PolarHBondContact O-N 2.8Å
51	Y	98.6	Very high	97.3	Very high	69 Å²	69	42.5 Å²	42.5	27%	0.271	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143.8	-178.1	-75.5	-104.8	0	0	0	110.4	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.48Å; R30-Y51 PolarHBondContact N-O 2.96Å; R30-Y51 PolarHBondContact O-N 3.36Å; F32-Y51 HydrophobicContact CD2-CD2 4.12Å; F32-Y51 HydrophobicContact CE2-CD2 4.15Å; V49-Y51 HydrophobicContact CB-CE2 4.11Å; V49-Y51 HydrophobicContact CG2-CD2 4.37Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; Y51-T55 WeakPolarHBondContact CA-O 3.45Å; Y51-Q56 HydrophobicContact CD1-CB 4.03Å; Y51-Q56 HydrophobicContact CD2-CB 4.49Å; Y51-Q56 HydrophobicContact CD2-CG 4.29Å; Y51-Q56 HydrophobicContact CE1-CB 3.58Å; Y51-Q56 HydrophobicContact CE1-CG 4.27Å; Y51-Q56 HydrophobicContact CE2-CB 4.09Å; Y51-Q56 HydrophobicContact CE2-CG 3.83Å; Y51-Q56 HydrophobicContact CG-CB 4.45Å
52	V	98.2	Very high	97.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	119.3	156.6	176.3	0	0	0	0	105.9	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.39Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.28Å; M29-V52 HydrophobicContact CG-CG2 4.36Å; V52-D54 PolarHBondContact O-N 2.83Å; V52-T55 PolarHBondContact N-O 3.37Å; V52-T55 WeakPolarHBondContact O-CB 3.35Å; V52-T55 PolarHBondContact O-N 3.21Å; V52-F57 HydrophobicContact CG2-CD1 3.96Å; V52-F57 HydrophobicContact CG2-CE1 3.98Å; V52-W75 HydrophobicContact CB-CH2 4.31Å; V52-W75 HydrophobicContact CB-CZ2 4.4Å; V52-W75 HydrophobicContact CG2-CH2 3.86Å; V52-W75 HydrophobicContact CG2-CZ2 4.44Å; V52-L192 HydrophobicContact CG1-CD1 3.58Å; V52-L192 HydrophobicContact CG2-CD1 4.23Å; V52-Y195 HydrophobicContact CG2-CD2 3.87Å; V52-Y195 HydrophobicContact CG2-CG 4.39Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.2Å; V52-L203 HydrophobicContact CG1-CD1 3.86Å; V52-L203 HydrophobicContact CG1-CD2 4.12Å
53	D	95.8	Very high	97.8	Very high	28 Å²	28	34.7 Å²	34.7	15%	0.15	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	-129.4	-165.8	-50	-42.3	0	0	0	110.2	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.25Å; H27-D53 WeakPolarHBondContact CA-OD1 3.46Å; H27-D53 IonicContact CE1-OD2 3.35Å; H27-D53 IonicContact CG-OD2 3.13Å; H27-D53 IonicContact ND1-OD1 3.57Å; H27-D53 IonicContact ND1-OD2 3.45Å; H27-D53 PolarHBondContact ND1-OD2 2.95Å; S28-D53 PolarHBondContact N-OD1 2.91Å; S28-D53 PolarHBondContact O-N 2.99Å; D53-T55 VanDerWaalsContact C-N 3.29Å; D53-T55 PolarHBondContact O-N 3.05Å
54	D	95.5	Very high	97.9	Very high	63 Å²	63	31.9 Å²	31.9	34%	0.337	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	2.4	177.2	-60.5	-58.5	0	0	0	114	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.83Å; D54-Y233 HydrophobicContact CB-CE2 4.06Å; D54-P234 VanDerWaalsContact OD2-CB 3.3Å; D54-P234 WeakPolarHBondContact OD2-CB 3.31Å; D54-A235 HydrophobicContact CB-CB 4.34Å; D54-A235 VanDerWaalsContact CG-CB 3.47Å; D54-A235 WeakPolarHBondContact OD2-CB 3.29Å; D54-A235 PolarHBondContact OD2-N 3.01Å; D54-F265 HydrophobicContact CB-CE2 3.74Å; D54-F265 HydrophobicContact CB-CZ 3.72Å
55	T	96.4	Very high	97.9	Very high	22 Å²	22	36.1 Å²	36.1	14%	0.135	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	111.8	-176.1	-63.1	0	0	0	0	111.8	Y51 V52 D53 F57 A73 W75 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.45Å; V52-T55 PolarHBondContact N-O 3.37Å; V52-T55 WeakPolarHBondContact O-CB 3.35Å; V52-T55 PolarHBondContact O-N 3.21Å; D53-T55 VanDerWaalsContact C-N 3.29Å; D53-T55 PolarHBondContact O-N 3.05Å; T55-F57 PolarHBondContact O-N 3.02Å; T55-A73 HydrophobicContact CG2-CB 4.38Å; T55-W75 HydrophobicContact CG2-CZ2 4.41Å; T55-L203 HydrophobicContact CG2-CD2 4.02Å; T55-Y233 PolarHBondContact OG1-OH 3.26Å
56	Q	97.4	Very high	97.7	Very high	52 Å²	52	35.2 Å²	35.2	24%	0.243	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	130.1	171.1	-164.8	-175.7	-6.4	0	0	110.5	V49 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.34Å; Y51-Q56 HydrophobicContact CD1-CB 4.03Å; Y51-Q56 HydrophobicContact CD2-CB 4.49Å; Y51-Q56 HydrophobicContact CD2-CG 4.29Å; Y51-Q56 HydrophobicContact CE1-CB 3.58Å; Y51-Q56 HydrophobicContact CE1-CG 4.27Å; Y51-Q56 HydrophobicContact CE2-CB 4.09Å; Y51-Q56 HydrophobicContact CE2-CG 3.83Å; Y51-Q56 HydrophobicContact CG-CB 4.45Å; Q56-V58 PolarHBondContact NE2-O 3.28Å; Q56-R72 HydrophobicContact CG-CB 4.2Å; Q56-R72 HydrophobicContact CG-CG 4.47Å; Q56-R72 CarbonylContact O-C 3.59Å
57	F	98.1	Very high	97.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	-21.5	179.2	75.4	-89.7	0	0	0	114.5	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.43Å; M29-F57 HydrophobicContact SD-CZ 4.4Å; Y31-F57 HydrophobicContact CE1-CZ 4.04Å; Y31-F57 AromaticContact CZ-CZ 3.86Å; G50-F57 VanDerWaalsContact C-CD1 3.42Å; G50-F57 WeakPolarHBondContact O-CD1 3.32Å; G50-F57 PolarHBondContact O-N 2.84Å; V52-F57 HydrophobicContact CG2-CD1 3.96Å; V52-F57 HydrophobicContact CG2-CE1 3.98Å; T55-F57 PolarHBondContact O-N 3.02Å; F57-R72 PolarHBondContact O-N 2.87Å; F57-A73 HydrophobicContact CB-CB 4.07Å; F57-W75 HydrophobicContact CB-CH2 3.18Å; F57-W75 HydrophobicContact CB-CZ2 3.46Å; F57-W75 VanDerWaalsContact CB-CZ2 3.46Å; F57-W75 HydrophobicContact CB-CZ3 3.93Å; F57-W75 AromaticContact CD1-CH2 3.93Å; F57-W75 HydrophobicContact CD1-CH2 3.93Å; F57-W75 HydrophobicContact CD2-CH2 4.07Å; F57-W75 HydrophobicContact CD2-CZ3 4.28Å; F57-W75 AromaticContact CG-CH2 3.49Å; F57-W75 HydrophobicContact CG-CH2 3.49Å; F57-W75 VanDerWaalsContact CG-CH2 3.49Å; F57-W75 HydrophobicContact CG-CZ2 4.21Å; F57-W75 HydrophobicContact CG-CZ3 4.14Å; F57-V76 HydrophobicContact CB-CG1 4.33Å; F57-V76 HydrophobicContact CD2-CB 4.43Å; F57-V76 HydrophobicContact CD2-CG1 4.37Å; F57-V76 HydrophobicContact CD2-CG2 4.18Å; F57-V76 VanDerWaalsContact O-CG1 3.27Å; F57-V76 WeakPolarHBondContact O-CG1 3.46Å; F57-Y195 HydrophobicContact CE1-CE2 4.47Å; F57-Y195 AromaticContact CE2-CE2 3.79Å; F57-Y195 HydrophobicContact CE2-CE2 3.79Å; F57-Y195 AromaticContact CE2-CZ 3.87Å; F57-Y195 HydrophobicContact CZ-CD2 4.34Å; F57-Y195 AromaticContact CZ-CE2 3.72Å; F57-Y195 HydrophobicContact CZ-CE2 3.72Å
58	V	98.4	Very high	97.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	148.8	-179.4	63.8	0	0	0	0	112.2	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG1 4.11Å; V49-V58 WeakPolarHBondContact CA-O 2.95Å; G50-V58 PolarHBondContact N-O 2.8Å; G50-V58 PolarHBondContact O-N 2.8Å; Q56-V58 PolarHBondContact NE2-O 3.28Å; V58-E70 WeakPolarHBondContact CA-O 3.12Å; V58-W84 HydrophobicContact CG2-CZ3 4.08Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.17Å; V58-Y91 HydrophobicContact CG2-CE2 4.2Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.41Å
59	Q	98.3	Very high	97.6	Very high	52 Å²	52	41.5 Å²	41.5	24%	0.243	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	150.7	169.3	-172.6	169.9	18.1	0	0	111.2	A48 V49 G69 E70 R72	A48-Q59 CarbonylContact O-C 3.57Å; A48-Q59 WeakPolarHBondContact O-CA 3.48Å; V49-Q59 HydrophobicContact CG1-CG 4.13Å; Q59-G69 WeakPolarHBondContact O-CA 3.44Å; Q59-E70 PolarHBondContact N-O 3.27Å; Q59-E70 PolarHBondContact O-N 2.97Å; Q59-R72 HydrophobicContact CB-CG 3.99Å; Q59-R72 VanDerWaalsContact OE1-CZ 3.27Å
60	F	98.8	Very high	97.5	Very high	5 Å²	5	43 Å²	43	2%	0.022	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	142.2	163.9	175.7	-79.6	0	0	0	108.8	F46 I47 A48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.74Å; F46-F60 HydrophobicContact CD1-CD1 3.74Å; F46-F60 AromaticContact CD1-CE1 3.82Å; F46-F60 HydrophobicContact CD1-CE1 3.82Å; F46-F60 AromaticContact CE1-CD1 3.93Å; F46-F60 HydrophobicContact CE1-CD1 3.93Å; F46-F60 HydrophobicContact CE1-CE1 4.29Å; I47-F60 WeakPolarHBondContact CA-O 3.39Å; A48-F60 HydrophobicContact CB-CB 4.28Å; A48-F60 PolarHBondContact N-O 3.08Å; A48-F60 PolarHBondContact O-N 2.97Å; F60-P67 HydrophobicContact CE1-CB 4.46Å; F60-P67 HydrophobicContact CE2-CB 3.88Å; F60-P67 HydrophobicContact CZ-CB 3.63Å; F60-R68 VanDerWaalsContact CD2-C 3.45Å; F60-R68 WeakPolarHBondContact CD2-O 3.48Å; F60-Y91 HydrophobicContact CB-CD1 4.4Å; F60-Y91 HydrophobicContact CB-CD2 3.59Å; F60-Y91 HydrophobicContact CB-CE2 4.05Å; F60-Y91 HydrophobicContact CB-CG 3.81Å; F60-Y91 HydrophobicContact CD1-CG 4.43Å; F60-Y91 AromaticContact CD2-CD2 3.7Å; F60-Y91 HydrophobicContact CD2-CD2 3.7Å; F60-Y91 AromaticContact CD2-CG 3.96Å; F60-Y91 HydrophobicContact CD2-CG 3.96Å; F60-Y91 AromaticContact CG-CD2 3.83Å; F60-Y91 HydrophobicContact CG-CD2 3.83Å; F60-Y91 AromaticContact CG-CG 3.82Å; F60-Y91 HydrophobicContact CG-CG 3.82Å; F60-K92 HydrophobicContact CE2-CG 4.16Å; F60-K92 HydrophobicContact CZ-CG 3.96Å
61	D	98.6	Very high	97.5	Very high	30 Å²	30	45.1 Å²	45.1	16%	0.16	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	127.3	173.1	-170.7	-11.7	0	0	0	109.5	R45 D63 A64	R45-D61 IonicContact CZ-OD1 2.86Å; R45-D61 IonicContact CZ-OD2 2.88Å; R45-D61 IonicContact NE-OD1 3.51Å; R45-D61 PolarHBondContact NE-OD1 2.87Å; R45-D61 IonicContact NE-OD2 2.71Å; R45-D61 PolarHBondContact NE-OD2 2.87Å; R45-D61 IonicContact NH2-OD1 3.26Å; R45-D61 IonicContact NH2-OD2 3.95Å; R45-D61 PolarHBondContact NH2-OD2 2.76Å; D61-D63 PolarHBondContact O-N 2.03Å; D61-D63 PolarHBondContact OD1-N 3.27Å; D61-A64 HydrophobicContact CB-CB 4.46Å; D61-A64 WeakPolarHBondContact O-CB 3.46Å; D61-A64 PolarHBondContact O-N 2.89Å
62	S	98.3	Very high	97.4	Very high	34 Å²	34	46.8 Å²	46.8	24%	0.238	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.7	178.1	65.7	0	0	0	0	113.7	R45 F46 P67	R45-S62 WeakPolarHBondContact CA-OG 3.31Å; F46-S62 PolarHBondContact N-OG 2.83Å; F46-S62 PolarHBondContact O-N 2.81Å; F46-S62 PolarHBondContact O-OG 3.27Å; S62-P67 WeakPolarHBondContact O-CG 3.19Å
63	D	97.5	Very high	97.3	Very high	67 Å²	67	47 Å²	47	36%	0.358	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-2.7	-177.5	-73.9	11.1	0	0	0	112.9	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.56Å; R38-D63 IonicContact CZ-OD2 2.64Å; R38-D63 IonicContact NH1-OD1 3.74Å; R38-D63 IonicContact NH1-OD2 3.76Å; R38-D63 PolarHBondContact NH1-OD2 3.3Å; R38-D63 IonicContact NH2-OD1 3.91Å; R38-D63 PolarHBondContact NH2-OD1 2.86Å; R38-D63 IonicContact NH2-OD2 3.59Å; R38-D63 PolarHBondContact NH2-OD2 2.96Å; R45-D63 VanDerWaalsContact CD-OD2 3.27Å; R45-D63 WeakPolarHBondContact CD-OD2 3.32Å; R45-D63 HydrophobicContact CG-CB 4.38Å; R45-D63 IonicContact NE-OD2 3.26Å; D61-D63 PolarHBondContact O-N 2.03Å; D61-D63 PolarHBondContact OD1-N 3.27Å
64	A	97.1	Very high	97.3	Very high	38 Å²	38	50.4 Å²	50.4	31%	0.314	29%	0.288	S	S	.	.	S	Bend	trans	-62.6	147.4	172.2	0	0	0	0	0	111.1	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.46Å; D61-A64 WeakPolarHBondContact O-CB 3.46Å; D61-A64 PolarHBondContact O-N 2.89Å; A64-S66 PolarHBondContact O-N 3.5Å; A64-S66 VanDerWaalsContact O-N 3.08Å; A64-P67 WeakPolarHBondContact O-CD 3.48Å; A64-P67 VanDerWaalsContact O-CG 3.29Å; A64-P67 WeakPolarHBondContact O-CG 3.44Å
65	A	96.4	Very high	97.3	Very high	118 Å²	118	48.2 Å²	48.2	98%	0.975	28%	0.275	S	S	*	.	S	Bend	trans	-59.7	-25.2	-179.1	0	0	0	0	0	113.8
66	S	95.8	Very high	97.4	Very high	81 Å²	81	47.1 Å²	47.1	57%	0.566	27%	0.269	S	S	*	.	S	Bend	trans	-138.9	90.7	169.1	-173.3	0	0	0	0	109.1	A64 R68	A64-S66 PolarHBondContact O-N 3.5Å; A64-S66 VanDerWaalsContact O-N 3.08Å; S66-R68 PolarHBondContact O-N 3.09Å; S66-R68 VanDerWaalsContact O-N 3.12Å
67	P	97	Very high	97.3	Very high	33 Å²	33	50.4 Å²	50.4	21%	0.214	28%	0.284	C	S	.	.			trans	-64.6	113.8	-174.1	-25.2	36.3	0	0	0	112	F60 S62 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.46Å; F60-P67 HydrophobicContact CE2-CB 3.88Å; F60-P67 HydrophobicContact CZ-CB 3.63Å; S62-P67 WeakPolarHBondContact O-CG 3.19Å; A64-P67 WeakPolarHBondContact O-CD 3.48Å; A64-P67 VanDerWaalsContact O-CG 3.29Å; A64-P67 WeakPolarHBondContact O-CG 3.44Å; P67-K92 WeakPolarHBondContact O-CE 3.45Å; P67-K92 PolarHBondContact O-NZ 2.92Å
68	R	97.8	Very high	97.1	Very high	147 Å²	147	56.5 Å²	56.5	56%	0.555	31%	0.312	S	S	*	.			trans	-146.1	159.4	178.7	63.9	-175.6	174.6	179.3	-1.2	110	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.45Å; F60-R68 WeakPolarHBondContact CD2-O 3.48Å; S66-R68 PolarHBondContact O-N 3.09Å; S66-R68 VanDerWaalsContact O-N 3.12Å; R68-E70 HydrophobicContact CG-CG 4.1Å; R68-E70 IonicContact NE-OE1 2.73Å; R68-T88 HydrophobicContact CB-CG2 4.3Å
69	G	97.4	Very high	97	Very high	5 Å²	5	57 Å²	57	5%	0.052	32%	0.315	C	S	.	.			trans	-67	129.6	166.1	0	0	0	0	0	109.1	Q59 T88	Q59-G69 WeakPolarHBondContact O-CA 3.44Å; G69-T88 PolarHBondContact N-OG1 3.22Å
70	E	97.6	Very high	96.9	Very high	60 Å²	60	56.3 Å²	56.3	28%	0.28	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.6	179.2	-58.6	-164.5	148.9	0	0	110.7	V58 Q59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.12Å; Q59-E70 PolarHBondContact N-O 3.27Å; Q59-E70 PolarHBondContact O-N 2.97Å; R68-E70 HydrophobicContact CG-CG 4.1Å; R68-E70 IonicContact NE-OE1 2.73Å; E70-R72 IonicContact OE2-CZ 3.69Å; E70-R72 IonicContact OE2-NH1 3.13Å; E70-R72 PolarHBondContact OE2-NH1 2.99Å; E70-R72 IonicContact OE2-NH2 3.72Å; E70-R72 PolarHBondContact OE2-NH2 2.99Å
71	P	97.9	Very high	96.8	Very high	44 Å²	44	60.8 Å²	60.8	29%	0.286	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	147.9	171.2	28.4	-34.2	0	0	0	111.1	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.9Å; P71-E77 HydrophobicContact CB-CG 3.71Å; P71-E77 HydrophobicContact CG-CG 3.95Å; P71-W84 HydrophobicContact CB-CH2 3.71Å; P71-W84 HydrophobicContact CB-CZ2 3.91Å; P71-W84 HydrophobicContact CG-CH2 4.32Å; P71-W84 HydrophobicContact CG-CZ2 4.34Å
72	R	97.3	Very high	96.7	Very high	104 Å²	104	67.2 Å²	67.2	39%	0.392	38%	0.38	S	S	.	.			trans	-130.1	-1	171.7	-64.1	-64.7	-179.1	-107.4	3.6	113.2	Q56 F57 Q59 E70	Q56-R72 HydrophobicContact CG-CB 4.2Å; Q56-R72 HydrophobicContact CG-CG 4.47Å; Q56-R72 CarbonylContact O-C 3.59Å; F57-R72 PolarHBondContact O-N 2.87Å; Q59-R72 HydrophobicContact CB-CG 3.99Å; Q59-R72 VanDerWaalsContact OE1-CZ 3.27Å; E70-R72 IonicContact OE2-CZ 3.69Å; E70-R72 IonicContact OE2-NH1 3.13Å; E70-R72 PolarHBondContact OE2-NH1 2.99Å; E70-R72 IonicContact OE2-NH2 3.72Å; E70-R72 PolarHBondContact OE2-NH2 2.99Å
73	A	96	Very high	96.7	Very high	4 Å²	4	65.9 Å²	65.9	3%	0.033	37%	0.37	C	S	.	.	S	Bend	trans	-137.2	140.2	172.3	0	0	0	0	0	111.2	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.38Å; F57-A73 HydrophobicContact CB-CB 4.07Å; A73-W75 HydrophobicContact CB-CD2 4.19Å; A73-W75 HydrophobicContact CB-CG 4.38Å; A73-W75 HydrophobicContact CB-CZ2 4.05Å; A73-W75 PolarHBondContact O-N 2.94Å; A73-W75 VanDerWaalsContact O-N 3.15Å; A73-V76 WeakPolarHBondContact O-CG1 3.41Å; A73-V76 PolarHBondContact O-N 2.98Å
74	P	96.1	Very high	96.7	Very high	100 Å²	100	64.5 Å²	64.5	65%	0.649	36%	0.36	S	S	*	.	H	α-helix	trans	-58.5	-32.2	-176.3	-27.4	35.3	0	0	0	114.5	V76 E77	P74-V76 PolarHBondContact O-N 3.48Å; P74-E77 WeakPolarHBondContact O-CB 3.45Å; P74-E77 PolarHBondContact O-N 3Å
75	W	95.9	Very high	96.7	Very high	16 Å²	16	67.8 Å²	67.8	6%	0.061	37%	0.372	C	S	.	.	H	α-helix	trans	-72.5	-10.6	-177	55	-108.3	0	0	0	114.6	V52 T55 F57 A73 Q78 Y195 N198 G199 L203	V52-W75 HydrophobicContact CB-CH2 4.31Å; V52-W75 HydrophobicContact CB-CZ2 4.4Å; V52-W75 HydrophobicContact CG2-CH2 3.86Å; V52-W75 HydrophobicContact CG2-CZ2 4.44Å; T55-W75 HydrophobicContact CG2-CZ2 4.41Å; F57-W75 HydrophobicContact CB-CH2 3.18Å; F57-W75 HydrophobicContact CB-CZ2 3.46Å; F57-W75 VanDerWaalsContact CB-CZ2 3.46Å; F57-W75 HydrophobicContact CB-CZ3 3.93Å; F57-W75 AromaticContact CD1-CH2 3.93Å; F57-W75 HydrophobicContact CD1-CH2 3.93Å; F57-W75 HydrophobicContact CD2-CH2 4.07Å; F57-W75 HydrophobicContact CD2-CZ3 4.28Å; F57-W75 AromaticContact CG-CH2 3.49Å; F57-W75 HydrophobicContact CG-CH2 3.49Å; F57-W75 VanDerWaalsContact CG-CH2 3.49Å; F57-W75 HydrophobicContact CG-CZ2 4.21Å; F57-W75 HydrophobicContact CG-CZ3 4.14Å; A73-W75 HydrophobicContact CB-CD2 4.19Å; A73-W75 HydrophobicContact CB-CG 4.38Å; A73-W75 HydrophobicContact CB-CZ2 4.05Å; A73-W75 PolarHBondContact O-N 2.94Å; A73-W75 VanDerWaalsContact O-N 3.15Å; W75-Q78 WeakPolarHBondContact O-CG 3.34Å; W75-Y195 HydrophobicContact CE3-CD1 4.29Å; W75-Y195 HydrophobicContact CH2-CG 4.12Å; W75-Y195 AromaticContact CZ3-CD1 3.59Å; W75-Y195 HydrophobicContact CZ3-CD1 3.59Å; W75-Y195 HydrophobicContact CZ3-CD2 4.33Å; W75-Y195 HydrophobicContact CZ3-CE1 4.35Å; W75-Y195 AromaticContact CZ3-CG 3.58Å; W75-Y195 HydrophobicContact CZ3-CG 3.58Å; W75-N198 HydrophobicContact CB-CB 4.45Å; W75-G199 VanDerWaalsContact CG-CA 3.45Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.33Å; W75-L203 HydrophobicContact CZ2-CD1 3.8Å; W75-L203 HydrophobicContact CZ2-CD2 4.02Å; W75-L203 HydrophobicContact CZ2-CG 4.33Å
76	V	97.3	Very high	96.8	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-99	-14.8	170.8	75.5	0	0	0	0	112.5	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.33Å; F57-V76 HydrophobicContact CD2-CB 4.43Å; F57-V76 HydrophobicContact CD2-CG1 4.37Å; F57-V76 HydrophobicContact CD2-CG2 4.18Å; F57-V76 VanDerWaalsContact O-CG1 3.27Å; F57-V76 WeakPolarHBondContact O-CG1 3.46Å; P71-V76 HydrophobicContact CB-CG1 3.9Å; A73-V76 WeakPolarHBondContact O-CG1 3.41Å; A73-V76 PolarHBondContact O-N 2.98Å; P74-V76 PolarHBondContact O-N 3.48Å; V76-Q78 PolarHBondContact O-N 3.42Å; V76-Q78 VanDerWaalsContact O-N 3.17Å; V76-E79 HydrophobicContact CG2-CB 4.45Å; V76-E79 HydrophobicContact CG2-CG 3.77Å; V76-E79 VanDerWaalsContact O-CB 3.3Å; V76-E79 WeakPolarHBondContact O-CB 3.39Å; V76-E79 WeakPolarHBondContact O-CG 3.44Å; V76-E79 PolarHBondContact O-N 3.22Å; V76-Y83 HydrophobicContact CG2-CE1 4.17Å; V76-W84 HydrophobicContact CG1-CH2 3.94Å; V76-W84 HydrophobicContact CG1-CZ2 4.15Å; V76-W84 HydrophobicContact CG2-CH2 4.07Å; V76-W84 HydrophobicContact CG2-CZ2 4.03Å; V76-W84 WeakPolarHBondContact O-CZ2 3.32Å; V76-Y195 HydrophobicContact CG2-CE1 4.22Å
77	E	95.3	Very high	96.9	Very high	121 Å²	121	63.5 Å²	63.5	57%	0.565	32%	0.319	S	S	*	.	H	α-helix	trans	-62.1	-25.2	178.5	-65.1	178.4	-172.9	0	0	113	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.71Å; P71-E77 HydrophobicContact CG-CG 3.95Å; P74-E77 WeakPolarHBondContact O-CB 3.45Å; P74-E77 PolarHBondContact O-N 3Å; E77-E79 PolarHBondContact O-N 3.02Å
78	Q	94.4	Very high	96.9	Very high	127 Å²	127	62.4 Å²	62.4	59%	0.593	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-8.3	174.1	66.1	176.4	19.3	0	0	114.5	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.34Å; V76-Q78 PolarHBondContact O-N 3.42Å; V76-Q78 VanDerWaalsContact O-N 3.17Å; Q78-N198 PolarHBondContact NE2-ND2 3.29Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.12Å; Q78-N198 PolarHBondContact NE2-OD1 3.12Å
79	E	96.6	Very high	97	Very high	11 Å²	11	60.2 Å²	60.2	5%	0.051	31%	0.307	C	S	.	.	S	Bend	trans	-69.5	132.1	173.6	-66.9	-61.8	154	0	0	110.8	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CB 4.45Å; V76-E79 HydrophobicContact CG2-CG 3.77Å; V76-E79 VanDerWaalsContact O-CB 3.3Å; V76-E79 WeakPolarHBondContact O-CB 3.39Å; V76-E79 WeakPolarHBondContact O-CG 3.44Å; V76-E79 PolarHBondContact O-N 3.22Å; E77-E79 PolarHBondContact O-N 3.02Å; E79-Y83 HydrophobicContact CB-CD1 3.6Å; E79-Y83 HydrophobicContact CB-CD2 4.4Å; E79-Y83 HydrophobicContact CB-CE1 4.16Å; E79-Y83 HydrophobicContact CB-CG 3.75Å; E79-Y83 HydrophobicContact CG-CD1 4.19Å; E79-Y83 HydrophobicContact CG-CD2 4.39Å; E79-Y83 HydrophobicContact CG-CE1 4.36Å; E79-Y83 HydrophobicContact CG-CG 4.23Å; E79-W84 VanDerWaalsContact O-CD1 3.29Å; E79-W84 PolarHBondContact O-NE1 3.31Å; E79-R194 IonicContact OE1-CZ 3.62Å; E79-R194 VanDerWaalsContact OE1-CZ 3.3Å; E79-R194 IonicContact OE1-NE 3.36Å; E79-R194 PolarHBondContact OE1-NE 2.68Å; E79-R194 IonicContact OE1-NH2 3.3Å; E79-R194 PolarHBondContact OE1-NH2 2.96Å; E79-R194 IonicContact OE2-CZ 2.65Å; E79-R194 IonicContact OE2-NE 3.24Å; E79-R194 IonicContact OE2-NH2 3.45Å; E79-R194 PolarHBondContact OE2-NH2 2.84Å; E79-N198 PolarHBondContact OE1-ND2 2.95Å
80	G	95.5	Very high	97	Very high	37 Å²	37	63.1 Å²	63.1	38%	0.381	32%	0.318	S	S	.	.			trans	-68.6	169	-173	0	0	0	0	0	114.6	E82 Y83 W84	G80-E82 VanDerWaalsContact C-N 3.26Å; G80-E82 PolarHBondContact O-N 3.17Å; G80-Y83 WeakPolarHBondContact O-CB 3.3Å; G80-Y83 PolarHBondContact O-N 3.37Å; G80-W84 PolarHBondContact O-N 3.26Å
81	P	96.6	Very high	97	Very high	99 Å²	99	60.3 Å²	60.3	64%	0.643	31%	0.305	S	S	*	.	H	α-helix	trans	-56.8	-37	-177	22.5	-33.5	0	0	0	113.2	Y83 W84 D85	P81-Y83 PolarHBondContact O-N 2.72Å; P81-W84 PolarHBondContact O-N 3.38Å; P81-W84 VanDerWaalsContact O-N 3.1Å; P81-D85 PolarHBondContact O-N 2.82Å
82	E	97.3	Very high	97	Very high	165 Å²	165	62 Å²	62	77%	0.771	31%	0.308	S	S	*	.	H	α-helix	trans	-58.3	-33.7	176.9	-61.4	-177.6	-179.8	0	0	113.4	G80 R86	G80-E82 VanDerWaalsContact C-N 3.26Å; G80-E82 PolarHBondContact O-N 3.17Å; E82-R86 WeakPolarHBondContact O-CB 3.45Å; E82-R86 PolarHBondContact O-N 2.92Å; E82-R86 VanDerWaalsContact O-N 3.08Å
83	Y	97.4	Very high	97.1	Very high	7 Å²	7	64.7 Å²	64.7	3%	0.027	32%	0.318	C	S	.	.	H	α-helix	trans	-66.2	-52.8	173.8	169.1	-88.7	0	0	0	110	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.17Å; E79-Y83 HydrophobicContact CB-CD1 3.6Å; E79-Y83 HydrophobicContact CB-CD2 4.4Å; E79-Y83 HydrophobicContact CB-CE1 4.16Å; E79-Y83 HydrophobicContact CB-CG 3.75Å; E79-Y83 HydrophobicContact CG-CD1 4.19Å; E79-Y83 HydrophobicContact CG-CD2 4.39Å; E79-Y83 HydrophobicContact CG-CE1 4.36Å; E79-Y83 HydrophobicContact CG-CG 4.23Å; G80-Y83 WeakPolarHBondContact O-CB 3.3Å; G80-Y83 PolarHBondContact O-N 3.37Å; P81-Y83 PolarHBondContact O-N 2.72Å; Y83-D85 PolarHBondContact O-N 3.14Å; Y83-R86 PolarHBondContact O-N 2.92Å; Y83-E87 HydrophobicContact CD1-CG 4.33Å; Y83-E87 HydrophobicContact CD2-CG 4.2Å; Y83-E87 HydrophobicContact CE1-CG 3.98Å; Y83-E87 HydrophobicContact CE2-CG 3.86Å; Y83-E87 HydrophobicContact CG-CG 4.41Å; Y83-E87 WeakPolarHBondContact O-CG 3.31Å; Y83-E87 PolarHBondContact O-N 2.97Å; Y83-W191 AromaticContact CD2-CH2 3.54Å; Y83-W191 HydrophobicContact CD2-CH2 3.54Å; Y83-W191 HydrophobicContact CD2-CZ2 4.3Å; Y83-W191 AromaticContact CD2-CZ3 3.67Å; Y83-W191 HydrophobicContact CD2-CZ3 3.67Å; Y83-W191 HydrophobicContact CE2-CE3 4.06Å; Y83-W191 AromaticContact CE2-CH2 3.88Å; Y83-W191 HydrophobicContact CE2-CH2 3.88Å; Y83-W191 AromaticContact CE2-CZ3 3.57Å; Y83-W191 HydrophobicContact CE2-CZ3 3.57Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.31Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.44Å; Y83-Y195 PolarHBondContact OH-OH 2.9Å
84	W	97.9	Very high	97.2	Very high	38 Å²	38	65.9 Å²	65.9	14%	0.144	32%	0.323	C	S	.	.	H	α-helix	trans	-63.5	-38.7	-177.2	-66.5	109.1	0	0	0	112.9	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 4.08Å; P71-W84 HydrophobicContact CB-CH2 3.71Å; P71-W84 HydrophobicContact CB-CZ2 3.91Å; P71-W84 HydrophobicContact CG-CH2 4.32Å; P71-W84 HydrophobicContact CG-CZ2 4.34Å; V76-W84 HydrophobicContact CG1-CH2 3.94Å; V76-W84 HydrophobicContact CG1-CZ2 4.15Å; V76-W84 HydrophobicContact CG2-CH2 4.07Å; V76-W84 HydrophobicContact CG2-CZ2 4.03Å; V76-W84 WeakPolarHBondContact O-CZ2 3.32Å; E79-W84 VanDerWaalsContact O-CD1 3.29Å; E79-W84 PolarHBondContact O-NE1 3.31Å; G80-W84 PolarHBondContact O-N 3.26Å; P81-W84 PolarHBondContact O-N 3.38Å; P81-W84 VanDerWaalsContact O-N 3.1Å; W84-T88 WeakPolarHBondContact O-CB 3.49Å; W84-T88 PolarHBondContact O-N 3.03Å; W84-T88 PolarHBondContact O-OG1 3.47Å
85	D	98	Very high	97.3	Very high	106 Å²	106	62 Å²	62	57%	0.567	30%	0.3	S	S	*	.	H	α-helix	trans	-63.8	-48	173	-76.9	-28.7	0	0	0	111.1	P81 Y83 T88 Q89	P81-D85 PolarHBondContact O-N 2.82Å; Y83-D85 PolarHBondContact O-N 3.14Å; D85-T88 PolarHBondContact O-N 2.99Å; D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.22Å; D85-Q89 PolarHBondContact O-N 3.32Å
86	R	97.5	Very high	97.4	Very high	100 Å²	100	66.3 Å²	66.3	38%	0.377	32%	0.321	S	S	.	.	H	α-helix	trans	-63	-44.6	180	-174.4	-173.1	68.2	-150.3	-3.6	112.5	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.45Å; E82-R86 PolarHBondContact O-N 2.92Å; E82-R86 VanDerWaalsContact O-N 3.08Å; Y83-R86 PolarHBondContact O-N 2.92Å; R86-Q89 PolarHBondContact O-N 3.11Å; R86-K90 WeakPolarHBondContact O-CG 3.41Å; R86-K90 PolarHBondContact O-N 3.3Å
87	E	97.6	Very high	97.5	Very high	10 Å²	10	69.9 Å²	69.9	5%	0.047	34%	0.342	C	S	.	.	H	α-helix	trans	-67.8	-40.8	176.7	-58.6	-38.8	118.6	0	0	111.1	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.33Å; Y83-E87 HydrophobicContact CD2-CG 4.2Å; Y83-E87 HydrophobicContact CE1-CG 3.98Å; Y83-E87 HydrophobicContact CE2-CG 3.86Å; Y83-E87 HydrophobicContact CG-CG 4.41Å; Y83-E87 WeakPolarHBondContact O-CG 3.31Å; Y83-E87 PolarHBondContact O-N 2.97Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 3.32Å; E87-K90 WeakPolarHBondContact O-CB 3.4Å; E87-K90 PolarHBondContact O-N 3.33Å; E87-K90 VanDerWaalsContact O-N 3.08Å; E87-K90 IonicContact OE1-NZ 2.66Å; E87-K90 PolarHBondContact OE1-NZ 2.98Å; E87-K90 WeakPolarHBondContact OE2-CD 3.47Å; E87-K90 WeakPolarHBondContact OE2-CE 3.45Å; E87-K90 IonicContact OE2-NZ 3.47Å; E87-K90 PolarHBondContact OE2-NZ 3.46Å; E87-Y91 HydrophobicContact CB-CE2 4.06Å; E87-Y91 WeakPolarHBondContact O-CD2 3.37Å; E87-Y91 PolarHBondContact O-N 3.09Å
88	T	98.4	Very high	97.6	Very high	9 Å²	9	64.3 Å²	64.3	6%	0.055	32%	0.316	C	S	.	.	H	α-helix	trans	-55.9	-44.1	171.8	-65.1	0	0	0	0	112.3	R68 G69 W84 D85 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.3Å; G69-T88 PolarHBondContact N-OG1 3.22Å; W84-T88 WeakPolarHBondContact O-CB 3.49Å; W84-T88 PolarHBondContact O-N 3.03Å; W84-T88 PolarHBondContact O-OG1 3.47Å; D85-T88 PolarHBondContact O-N 2.99Å; T88-Y91 PolarHBondContact O-N 3.5Å; T88-K92 HydrophobicContact CG2-CD 4.02Å; T88-K92 WeakPolarHBondContact O-CB 3.42Å; T88-K92 WeakPolarHBondContact O-CG 3.44Å; T88-K92 PolarHBondContact O-N 2.99Å
89	Q	98.3	Very high	97.8	Very high	102 Å²	102	62.1 Å²	62.1	48%	0.477	30%	0.303	S	S	.	.	H	α-helix	trans	-73	-24.8	177.7	-64.8	-60.4	-16.1	0	0	113.3	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.22Å; D85-Q89 PolarHBondContact O-N 3.32Å; R86-Q89 PolarHBondContact O-N 3.11Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 3.32Å; Q89-R93 WeakPolarHBondContact O-CB 3.5Å; Q89-R93 VanDerWaalsContact O-CG 3.3Å; Q89-R93 WeakPolarHBondContact O-CG 3.49Å; Q89-R93 PolarHBondContact O-N 3.16Å; Q89-R93 PolarHBondContact O-NE 3.26Å; Q89-R93 VanDerWaalsContact O-NE 3.09Å
90	K	97.6	Very high	97.8	Very high	66 Å²	66	65.2 Å²	65.2	29%	0.287	32%	0.322	S	S	.	.	H	α-helix	trans	-68.2	-50.1	168.1	-75.6	161.3	166	179	0	110.7	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.41Å; R86-K90 PolarHBondContact O-N 3.3Å; E87-K90 WeakPolarHBondContact O-CB 3.4Å; E87-K90 PolarHBondContact O-N 3.33Å; E87-K90 VanDerWaalsContact O-N 3.08Å; E87-K90 IonicContact OE1-NZ 2.66Å; E87-K90 PolarHBondContact OE1-NZ 2.98Å; E87-K90 WeakPolarHBondContact OE2-CD 3.47Å; E87-K90 WeakPolarHBondContact OE2-CE 3.45Å; E87-K90 IonicContact OE2-NZ 3.47Å; E87-K90 PolarHBondContact OE2-NZ 3.46Å; K90-K92 PolarHBondContact O-N 2.93Å; K90-R93 PolarHBondContact O-N 3.3Å; K90-Q94 PolarHBondContact O-N 3.49Å
91	Y	98.6	Very high	98	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-59.9	-44.6	178.5	-62	-48.8	0	0	0	112.2	Y33 F46 A48 V58 F60 E87 T88 R93 Q94 A95	Y33-Y91 HydrophobicContact CE1-CD1 4.16Å; Y33-Y91 AromaticContact CE1-CE1 3.8Å; Y33-Y91 HydrophobicContact CE1-CE1 3.8Å; Y33-Y91 AromaticContact CZ-CE1 3.95Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.27Å; F46-Y91 HydrophobicContact CE1-CD1 4.39Å; A48-Y91 HydrophobicContact CB-CD1 3.67Å; A48-Y91 HydrophobicContact CB-CE1 3.7Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.17Å; V58-Y91 HydrophobicContact CG2-CE2 4.2Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.41Å; F60-Y91 HydrophobicContact CB-CD1 4.4Å; F60-Y91 HydrophobicContact CB-CD2 3.59Å; F60-Y91 HydrophobicContact CB-CE2 4.05Å; F60-Y91 HydrophobicContact CB-CG 3.81Å; F60-Y91 HydrophobicContact CD1-CG 4.43Å; F60-Y91 AromaticContact CD2-CD2 3.7Å; F60-Y91 HydrophobicContact CD2-CD2 3.7Å; F60-Y91 AromaticContact CD2-CG 3.96Å; F60-Y91 HydrophobicContact CD2-CG 3.96Å; F60-Y91 AromaticContact CG-CD2 3.83Å; F60-Y91 HydrophobicContact CG-CD2 3.83Å; F60-Y91 AromaticContact CG-CG 3.82Å; F60-Y91 HydrophobicContact CG-CG 3.82Å; E87-Y91 HydrophobicContact CB-CE2 4.06Å; E87-Y91 WeakPolarHBondContact O-CD2 3.37Å; E87-Y91 PolarHBondContact O-N 3.09Å; T88-Y91 PolarHBondContact O-N 3.5Å; Y91-R93 PolarHBondContact O-N 3.01Å; Y91-Q94 PolarHBondContact O-N 3.28Å; Y91-A95 PolarHBondContact O-N 2.61Å
92	K	98.4	Very high	98.1	Very high	81 Å²	81	60.8 Å²	60.8	35%	0.352	29%	0.287	S	S	.	.	H	α-helix	trans	-61.4	-39.2	176.4	-74.6	175.7	179.6	170.2	0	113.1	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.16Å; F60-K92 HydrophobicContact CZ-CG 3.96Å; P67-K92 WeakPolarHBondContact O-CE 3.45Å; P67-K92 PolarHBondContact O-NZ 2.92Å; T88-K92 HydrophobicContact CG2-CD 4.02Å; T88-K92 WeakPolarHBondContact O-CB 3.42Å; T88-K92 WeakPolarHBondContact O-CG 3.44Å; T88-K92 PolarHBondContact O-N 2.99Å; K90-K92 PolarHBondContact O-N 2.93Å; K92-Q96 PolarHBondContact O-N 3.35Å
93	R	98.3	Very high	98	Very high	159 Å²	159	60.3 Å²	60.3	60%	0.6	28%	0.278	S	S	*	.	H	α-helix	trans	-68.1	-43.3	174.2	-75.9	-177.2	-66.7	171.7	0.3	112	Q89 K90 Y91 A95 Q96 T97	Q89-R93 WeakPolarHBondContact O-CB 3.5Å; Q89-R93 VanDerWaalsContact O-CG 3.3Å; Q89-R93 WeakPolarHBondContact O-CG 3.49Å; Q89-R93 PolarHBondContact O-N 3.16Å; Q89-R93 PolarHBondContact O-NE 3.26Å; Q89-R93 VanDerWaalsContact O-NE 3.09Å; K90-R93 PolarHBondContact O-N 3.3Å; Y91-R93 PolarHBondContact O-N 3.01Å; R93-A95 PolarHBondContact O-N 3.06Å; R93-Q96 PolarHBondContact O-N 3.39Å; R93-T97 PolarHBondContact O-N 3.25Å; R93-T97 PolarHBondContact O-OG1 3.3Å; R93-T97 VanDerWaalsContact O-OG1 3.14Å
94	Q	98.4	Very high	98.1	Very high	30 Å²	30	63.4 Å²	63.4	14%	0.14	30%	0.295	C	S	.	.	H	α-helix	trans	-61.5	-43	176.8	-171.3	71.5	57.3	0	0	111.8	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 3.66Å; F46-Q94 HydrophobicContact CE2-CB 4.21Å; F46-Q94 HydrophobicContact CE2-CG 3.71Å; F46-Q94 HydrophobicContact CZ-CB 3.98Å; F46-Q94 HydrophobicContact CZ-CG 3.83Å; K90-Q94 PolarHBondContact O-N 3.49Å; Y91-Q94 PolarHBondContact O-N 3.28Å; Q94-Q96 VanDerWaalsContact C-N 3.26Å; Q94-Q96 PolarHBondContact O-N 3.01Å; Q94-T97 CarbonylContact O-C 3.57Å; Q94-T97 WeakPolarHBondContact O-CA 3.21Å; Q94-T97 WeakPolarHBondContact O-CB 3.49Å; Q94-T97 PolarHBondContact O-N 3.32Å; Q94-D98 PolarHBondContact NE2-OD1 3.01Å; Q94-D98 PolarHBondContact O-N 2.79Å
95	A	98.4	Very high	98.1	Very high	19 Å²	19	61.9 Å²	61.9	16%	0.157	29%	0.29	C	S	.	.	H	α-helix	trans	-56.6	-38.9	176.5	0	0	0	0	0	112.6	F46 Y91 R93 R99	F46-A95 HydrophobicContact CB-CB 3.68Å; F46-A95 HydrophobicContact CD1-CB 3.86Å; F46-A95 HydrophobicContact CD2-CB 4.16Å; F46-A95 HydrophobicContact CG-CB 3.63Å; Y91-A95 PolarHBondContact O-N 2.61Å; R93-A95 PolarHBondContact O-N 3.06Å; A95-R99 VanDerWaalsContact O-CB 3.31Å; A95-R99 WeakPolarHBondContact O-CB 3.09Å; A95-R99 PolarHBondContact O-N 3.48Å
96	Q	98.1	Very high	98	Very high	106 Å²	106	59.5 Å²	59.5	50%	0.495	27%	0.273	S	S	.	.	H	α-helix	trans	-71.3	-37.8	173.6	-63.2	-57.1	-40.3	0	0	112.4	K92 R93 Q94 R99 V100	K92-Q96 PolarHBondContact O-N 3.35Å; R93-Q96 PolarHBondContact O-N 3.39Å; Q94-Q96 VanDerWaalsContact C-N 3.26Å; Q94-Q96 PolarHBondContact O-N 3.01Å; Q96-R99 VanDerWaalsContact OE1-NH1 3.16Å; Q96-V100 WeakPolarHBondContact O-CG2 3.45Å; Q96-V100 PolarHBondContact O-N 2.99Å; Q96-V100 VanDerWaalsContact O-N 3.16Å
97	T	98.1	Very high	98	Very high	75 Å²	75	56.9 Å²	56.9	46%	0.46	28%	0.277	S	S	.	.	H	α-helix	trans	-61.8	-42.9	173.5	-57.1	0	0	0	0	111.6	R93 Q94 V100 S101	R93-T97 PolarHBondContact O-N 3.25Å; R93-T97 PolarHBondContact O-OG1 3.3Å; R93-T97 VanDerWaalsContact O-OG1 3.14Å; Q94-T97 CarbonylContact O-C 3.57Å; Q94-T97 WeakPolarHBondContact O-CA 3.21Å; Q94-T97 WeakPolarHBondContact O-CB 3.49Å; Q94-T97 PolarHBondContact O-N 3.32Å; T97-V100 PolarHBondContact O-N 3.49Å; T97-S101 WeakPolarHBondContact O-CB 3.13Å; T97-S101 PolarHBondContact O-N 3.04Å; T97-S101 PolarHBondContact O-OG 2.82Å
98	D	98.3	Very high	98.1	Very high	3 Å²	3	59 Å²	59	2%	0.016	29%	0.285	C	S	.	.	H	α-helix	trans	-73.7	-36	-177.6	-68.4	-2.3	0	0	0	111.3	A35 F46 Q94 V100 S101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.7Å; F46-D98 VanDerWaalsContact CE2-OD2 3.26Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.46Å; Q94-D98 PolarHBondContact NE2-OD1 3.01Å; Q94-D98 PolarHBondContact O-N 2.79Å; D98-V100 PolarHBondContact O-N 3.07Å; D98-S101 PolarHBondContact O-N 2.78Å; D98-S101 VanDerWaalsContact O-N 3.17Å; D98-L102 WeakPolarHBondContact O-CB 3.4Å; D98-L102 WeakPolarHBondContact O-CG 2.9Å; D98-L102 PolarHBondContact O-N 3.31Å; D98-L119 HydrophobicContact CB-CD2 4.14Å
99	R	98	Very high	98	Very high	81 Å²	81	61.9 Å²	61.9	31%	0.306	30%	0.295	S	S	.	.	H	α-helix	trans	-55.3	-46.4	168.3	176.3	-169.4	-177.3	-154.7	4	112.4	E43 P44 A95 Q96 R103	E43-R99 VanDerWaalsContact CD-CZ 3.46Å; E43-R99 VanDerWaalsContact CD-NE 3.31Å; E43-R99 IonicContact OE1-CZ 2.81Å; E43-R99 IonicContact OE1-NE 2.86Å; E43-R99 IonicContact OE1-NH2 3.76Å; E43-R99 PolarHBondContact OE1-NH2 3.23Å; E43-R99 WeakPolarHBondContact OE2-CD 3.25Å; E43-R99 IonicContact OE2-CZ 3.24Å; E43-R99 VanDerWaalsContact OE2-CZ 3.24Å; E43-R99 IonicContact OE2-NE 2.8Å; E43-R99 PolarHBondContact OE2-NE 3.16Å; E43-R99 IonicContact OE2-NH2 2.77Å; E43-R99 PolarHBondContact OE2-NH2 3.2Å; P44-R99 HydrophobicContact CG-CB 4.38Å; P44-R99 HydrophobicContact CG-CG 4.22Å; A95-R99 VanDerWaalsContact O-CB 3.31Å; A95-R99 WeakPolarHBondContact O-CB 3.09Å; A95-R99 PolarHBondContact O-N 3.48Å; Q96-R99 VanDerWaalsContact OE1-NH1 3.16Å; R99-R103 PolarHBondContact O-N 2.93Å
100	V	97.9	Very high	98	Very high	77 Å²	77	64.2 Å²	64.2	47%	0.467	31%	0.311	S	S	.	.	H	α-helix	trans	-68.5	-37.9	176.2	173.1	0	0	0	0	110.9	Q96 T97 D98 R103 N104	Q96-V100 WeakPolarHBondContact O-CG2 3.45Å; Q96-V100 PolarHBondContact O-N 2.99Å; Q96-V100 VanDerWaalsContact O-N 3.16Å; T97-V100 PolarHBondContact O-N 3.49Å; D98-V100 PolarHBondContact O-N 3.07Å; V100-R103 PolarHBondContact O-N 3.26Å; V100-N104 VanDerWaalsContact O-CG 3.3Å; V100-N104 PolarHBondContact O-N 3.17Å; V100-N104 PolarHBondContact O-ND2 3.03Å
101	S	98.3	Very high	98	Very high	35 Å²	35	64 Å²	64	25%	0.245	31%	0.311	C	S	.	.	H	α-helix	trans	-65.6	-44.3	179.3	-58.1	0	0	0	0	111.9	T97 D98 R103 N104 L105	T97-S101 WeakPolarHBondContact O-CB 3.13Å; T97-S101 PolarHBondContact O-N 3.04Å; T97-S101 PolarHBondContact O-OG 2.82Å; D98-S101 PolarHBondContact O-N 2.78Å; D98-S101 VanDerWaalsContact O-N 3.17Å; S101-R103 VanDerWaalsContact C-N 3.31Å; S101-R103 PolarHBondContact O-N 3.5Å; S101-N104 PolarHBondContact O-N 3.08Å; S101-N104 VanDerWaalsContact O-N 3.11Å; S101-L105 WeakPolarHBondContact O-CB 3.47Å; S101-L105 WeakPolarHBondContact O-CD1 3.49Å; S101-L105 WeakPolarHBondContact O-CG 3.2Å; S101-L105 PolarHBondContact O-N 3.41Å
102	L	98.4	Very high	97.8	Very high	8 Å²	8	67.4 Å²	67.4	4%	0.042	34%	0.335	C	S	.	.	H	α-helix	trans	-55.5	-43	172.5	-77	166.7	0	0	0	112.2	A35 P44 D98 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.93Å; P44-L102 HydrophobicContact CB-CD1 3.7Å; P44-L102 HydrophobicContact CG-CD1 3.88Å; D98-L102 WeakPolarHBondContact O-CB 3.4Å; D98-L102 WeakPolarHBondContact O-CG 2.9Å; D98-L102 PolarHBondContact O-N 3.31Å; L102-R106 WeakPolarHBondContact O-CB 3.34Å; L102-R106 PolarHBondContact O-N 3.41Å; L102-R106 VanDerWaalsContact O-N 3.07Å; L102-H117 HydrophobicContact CD2-CB 4.27Å; L102-L119 HydrophobicContact CD2-CB 3.64Å; L102-L119 HydrophobicContact CG-CB 4.03Å; L102-Y142 HydrophobicContact CD2-CE2 4.02Å
103	R	96.9	Very high	97.4	Very high	154 Å²	154	69.7 Å²	69.7	58%	0.581	35%	0.347	S	S	*	.	H	α-helix	trans	-64.2	-42.2	175.4	-174.5	-175.3	-68	168.9	-1.8	112.1	R99 V100 S101 G107	R99-R103 PolarHBondContact O-N 2.93Å; V100-R103 PolarHBondContact O-N 3.26Å; S101-R103 VanDerWaalsContact C-N 3.31Å; S101-R103 PolarHBondContact O-N 3.5Å; R103-G107 PolarHBondContact O-N 3.39Å
104	N	97.8	Very high	97.1	Very high	72 Å²	72	68.8 Å²	68.8	39%	0.385	35%	0.354	S	S	.	.	H	α-helix	trans	-66.6	-45.2	178.8	-68.9	-24.5	0	0	0	111.8	V100 S101 G107 Y108	V100-N104 VanDerWaalsContact O-CG 3.3Å; V100-N104 PolarHBondContact O-N 3.17Å; V100-N104 PolarHBondContact O-ND2 3.03Å; S101-N104 PolarHBondContact O-N 3.08Å; S101-N104 VanDerWaalsContact O-N 3.11Å; N104-G107 WeakPolarHBondContact O-CA 3.37Å; N104-G107 PolarHBondContact O-N 2.92Å; N104-G107 VanDerWaalsContact O-N 3.17Å; N104-Y108 WeakPolarHBondContact O-CD1 3.31Å; N104-Y108 VanDerWaalsContact O-CG 3.32Å; N104-Y108 PolarHBondContact O-N 2.84Å
105	L	98.3	Very high	96.9	Very high	6 Å²	6	68.3 Å²	68.3	3%	0.031	36%	0.357	C	S	.	.	H	α-helix	trans	-59.9	-51.6	178.9	-71.3	162.3	0	0	0	110.9	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.47Å; S101-L105 WeakPolarHBondContact O-CD1 3.49Å; S101-L105 WeakPolarHBondContact O-CG 3.2Å; S101-L105 PolarHBondContact O-N 3.41Å; L105-G107 PolarHBondContact O-N 2.95Å; L105-G107 VanDerWaalsContact O-N 3.15Å; L105-Y108 PolarHBondContact O-N 3.33Å; L105-Y109 HydrophobicContact CD2-CE2 4.24Å; L105-Y109 VanDerWaalsContact O-CD2 3.27Å; L105-Y109 WeakPolarHBondContact O-CD2 3.17Å; L105-Y109 PolarHBondContact O-N 2.91Å; L105-L119 HydrophobicContact CD1-CD1 3.86Å; L105-L119 HydrophobicContact CD1-CD2 4.14Å; L105-L119 HydrophobicContact CD1-CG 4.43Å; L105-Y142 HydrophobicContact CB-CD1 4.29Å; L105-Y142 HydrophobicContact CB-CD2 4.24Å; L105-Y142 HydrophobicContact CB-CE1 3.89Å; L105-Y142 HydrophobicContact CB-CE2 3.87Å; L105-Y142 HydrophobicContact CB-CG 4.44Å; L105-Y142 HydrophobicContact CD1-CD2 3.67Å; L105-Y142 HydrophobicContact CD1-CE2 3.95Å; L105-Y142 HydrophobicContact CD1-CG 4.1Å; L105-Y142 HydrophobicContact CD2-CD1 4.49Å; L105-Y142 HydrophobicContact CD2-CG 4.42Å; L105-Y142 HydrophobicContact CG-CD2 4.43Å; L105-Y142 HydrophobicContact CG-CE2 4.49Å; L105-Y147 HydrophobicContact CD2-CD1 4.31Å; L105-Y147 HydrophobicContact CD2-CD2 3.97Å; L105-Y147 HydrophobicContact CD2-CE1 3.8Å; L105-Y147 HydrophobicContact CD2-CE2 3.38Å; L105-Y147 HydrophobicContact CD2-CG 4.4Å
106	R	97.3	Very high	96.9	Very high	57 Å²	57	71.2 Å²	71.2	22%	0.215	38%	0.376	C	S	.	.	H	α-helix	trans	-51.5	-39.6	174.3	-170.7	-169.5	65.4	169.5	9.5	112.2	L102 N110 Q111 S112 E113	L102-R106 WeakPolarHBondContact O-CB 3.34Å; L102-R106 PolarHBondContact O-N 3.41Å; L102-R106 VanDerWaalsContact O-N 3.07Å; R106-N110 PolarHBondContact O-N 2.98Å; R106-N110 VanDerWaalsContact O-N 3.15Å; R106-Q111 HydrophobicContact CG-CB 3.8Å; R106-Q111 PolarHBondContact O-N 3.31Å; R106-S112 WeakPolarHBondContact CD-O 3.48Å; R106-E113 IonicContact CZ-OE1 3.06Å; R106-E113 IonicContact NH1-OE1 2.82Å; R106-E113 PolarHBondContact NH1-OE1 3.47Å; R106-E113 IonicContact NH2-OE1 2.73Å; R106-E113 PolarHBondContact NH2-OE1 3.39Å
107	G	97.3	Very high	96.9	Very high	44 Å²	44	66.9 Å²	66.9	45%	0.454	36%	0.356	S	S	.	.	H	α-helix	trans	-68.1	-45.7	174.1	0	0	0	0	0	113.8	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.39Å; N104-G107 WeakPolarHBondContact O-CA 3.37Å; N104-G107 PolarHBondContact O-N 2.92Å; N104-G107 VanDerWaalsContact O-N 3.17Å; L105-G107 PolarHBondContact O-N 2.95Å; L105-G107 VanDerWaalsContact O-N 3.15Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 2.81Å; G107-N110 PolarHBondContact O-N 3.4Å
108	Y	98.1	Very high	96.9	Very high	55 Å²	55	65.1 Å²	65.1	22%	0.216	35%	0.345	C	S	.	.	H	α-helix	trans	-62.6	-33.8	178.4	-61.3	-16.7	0	0	0	112.8	N104 L105 A163 I166 K170	N104-Y108 WeakPolarHBondContact O-CD1 3.31Å; N104-Y108 VanDerWaalsContact O-CG 3.32Å; N104-Y108 PolarHBondContact O-N 2.84Å; L105-Y108 PolarHBondContact O-N 3.33Å; Y108-A163 HydrophobicContact CD2-CB 4.47Å; Y108-I166 HydrophobicContact CD1-CD1 4.06Å; Y108-I166 HydrophobicContact CD2-CD1 4.43Å; Y108-I166 HydrophobicContact CE1-CD1 4.4Å; Y108-I166 HydrophobicContact CE1-CG2 3.99Å; Y108-I166 HydrophobicContact CE2-CB 4.18Å; Y108-I166 HydrophobicContact CE2-CG2 4.15Å; Y108-I166 HydrophobicContact CG-CD1 4.08Å; Y108-K170 PolarHBondContact OH-NZ 3.11Å
109	Y	98	Very high	96.9	Very high	69 Å²	69	65.2 Å²	65.2	27%	0.271	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	0.5	178	-69.7	-71.5	0	0	0	114.2	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.24Å; L105-Y109 VanDerWaalsContact O-CD2 3.27Å; L105-Y109 WeakPolarHBondContact O-CD2 3.17Å; L105-Y109 PolarHBondContact O-N 2.91Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 2.81Å; Y109-Q111 VanDerWaalsContact C-N 3.28Å; Y109-Q111 PolarHBondContact O-N 2.97Å; Y109-Y142 AromaticContact CD2-CD1 3.74Å; Y109-Y142 HydrophobicContact CD2-CD1 3.74Å; Y109-Y142 AromaticContact CD2-CE1 3.49Å; Y109-Y142 HydrophobicContact CD2-CE1 3.49Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.49Å; Y109-Y142 AromaticContact CE2-CD1 3.48Å; Y109-Y142 HydrophobicContact CE2-CD1 3.48Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.48Å; Y109-Y142 AromaticContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CG-CE1 4.43Å; Y109-Y147 HydrophobicContact CE2-CD2 4.36Å; Y109-Y147 HydrophobicContact CE2-CE2 4.07Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.38Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.47Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.42Å; Y109-D161 VanDerWaalsContact OH-CG 3.28Å; Y109-D161 PolarHBondContact OH-OD1 2.88Å; Y109-D161 PolarHBondContact OH-OD2 2.94Å; Y109-A163 HydrophobicContact CD1-CB 4.24Å; Y109-A163 HydrophobicContact CD2-CB 4.43Å; Y109-A163 HydrophobicContact CE1-CB 3.71Å; Y109-A163 HydrophobicContact CE2-CB 3.91Å
110	N	96.9	Very high	97	Very high	151 Å²	151	65 Å²	65	81%	0.807	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	39.5	-177.1	-52.9	-74.8	0	0	0	113.7	R106 G107	R106-N110 PolarHBondContact O-N 2.98Å; R106-N110 VanDerWaalsContact O-N 3.15Å; G107-N110 PolarHBondContact O-N 3.4Å
111	Q	97.2	Very high	97	Very high	61 Å²	61	62 Å²	62	29%	0.285	33%	0.328	S	S	.	.			trans	-86	154	-177.5	-70.4	162.8	-46.1	0	0	112.2	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.8Å; R106-Q111 PolarHBondContact O-N 3.31Å; Y109-Q111 VanDerWaalsContact C-N 3.28Å; Y109-Q111 PolarHBondContact O-N 2.97Å; Q111-H117 PolarHBondContact NE2-CE1 3.07Å; Q111-Y142 PolarHBondContact OE1-OH 3.37Å; Q111-D143 PolarHBondContact NE2-OD2 3.45Å
112	S	94.8	Very high	97	Very high	73 Å²	73	61.5 Å²	61.5	51%	0.51	32%	0.322	S	S	.	.			trans	-64.1	152.1	179.2	-175.3	0	0	0	0	112.7	R106 D114 G115	R106-S112 WeakPolarHBondContact CD-O 3.48Å; S112-D114 VanDerWaalsContact C-N 3.28Å; S112-D114 PolarHBondContact O-N 2.97Å; S112-D114 PolarHBondContact OG-N 3.34Å; S112-G115 PolarHBondContact O-N 2.95Å
113	E	91.6	Very high	97	Very high	129 Å²	129	62 Å²	62	60%	0.603	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-26.9	174.1	-60.9	-140.2	104.9	0	0	113.6	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.44Å; P39-E113 WeakPolarHBondContact CG-O 3.35Å; R106-E113 IonicContact CZ-OE1 3.06Å; R106-E113 IonicContact NH1-OE1 2.82Å; R106-E113 PolarHBondContact NH1-OE1 3.47Å; R106-E113 IonicContact NH2-OE1 2.73Å; R106-E113 PolarHBondContact NH2-OE1 3.39Å; E113-G115 PolarHBondContact O-N 2.63Å
114	D	92	Very high	97.1	Very high	139 Å²	139	54.7 Å²	54.7	74%	0.743	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-7.4	180	-54.9	-50.9	0	0	0	113.2	S112	S112-D114 VanDerWaalsContact C-N 3.28Å; S112-D114 PolarHBondContact O-N 2.97Å; S112-D114 PolarHBondContact OG-N 3.34Å
115	G	93.4	Very high	97.2	Very high	21 Å²	21	51.3 Å²	51.3	22%	0.216	28%	0.278	C	S	.	.			trans	-71.5	126.4	178.4	0	0	0	0	0	113.4	S37 P39 S112 E113 H117	S37-G115 PolarHBondContact OG-O 2.66Å; P39-G115 VanDerWaalsContact CG-O 3.24Å; P39-G115 WeakPolarHBondContact CG-O 3.48Å; S112-G115 PolarHBondContact O-N 2.95Å; E113-G115 PolarHBondContact O-N 2.63Å; G115-H117 PolarHBondContact O-CD2 3.11Å
116	S	97.4	Very high	97.1	Very high	79 Å²	79	52 Å²	52	55%	0.552	28%	0.282	S	S	*	.			trans	-77	128.4	161.1	-178.1	0	0	0	0	108.7	S37	S37-S116 PolarHBondContact O-OG 3.43Å
117	H	98.4	Very high	97.1	Very high	15 Å²	15	49.5 Å²	49.5	7%	0.069	27%	0.273	C	S	.	.			trans	-131.7	149.5	-176.3	-66.2	-73.2	0	0	0	110.6	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.33Å; S37-H117 PolarHBondContact N-O 2.71Å; S37-H117 PolarHBondContact OG-N 2.73Å; S37-H117 PolarHBondContact OG-O 2.87Å; L102-H117 HydrophobicContact CD2-CB 4.27Å; Q111-H117 PolarHBondContact NE2-CE1 3.07Å; G115-H117 PolarHBondContact O-CD2 3.11Å; H117-Y142 HydrophobicContact CB-CE2 3.81Å; H117-Y142 WeakPolarHBondContact CB-OH 3.3Å; H117-Y142 VanDerWaalsContact CG-OH 3.22Å; H117-Y142 AromaticContact ND1-CZ 3.94Å; H117-Y142 PolarHBondContact ND1-OH 3.12Å; H117-D143 WeakPolarHBondContact CA-OD1 3.35Å; H117-D143 WeakPolarHBondContact CB-OD1 3.33Å; H117-D143 IonicContact CE1-OD2 3.63Å; H117-D143 IonicContact CG-OD1 3.34Å; H117-D143 IonicContact CG-OD2 2.65Å; H117-D143 IonicContact ND1-OD1 3.8Å; H117-D143 PolarHBondContact ND1-OD1 2.94Å; H117-D143 IonicContact ND1-OD2 3.25Å; H117-D143 PolarHBondContact ND1-OD2 3.47Å
118	T	98.8	Very high	97	Very high	38 Å²	38	47.9 Å²	47.9	23%	0.233	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	123.9	-176.2	-58.1	0	0	0	0	110.6	T34 A35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.01Å; A35-T118 WeakPolarHBondContact O-CA 3.35Å; V36-T118 HydrophobicContact CG2-CG2 4.27Å; T118-Q120 HydrophobicContact CG2-CG 3.96Å; T118-Y142 CarbonylContact O-C 3.54Å; T118-Y142 WeakPolarHBondContact O-CA 3.46Å; T118-Y142 VanDerWaalsContact O-CD2 3.28Å; T118-Y142 WeakPolarHBondContact O-CD2 3.47Å; T118-D143 PolarHBondContact N-OD1 3.39Å; T118-D143 PolarHBondContact O-N 3.29Å
119	L	98.9	Very high	96.5	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.026	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.5	169.3	174.4	60.7	0	0	0	108.4	A35 D98 L102 L105 F140	A35-L119 HydrophobicContact CB-CB 4.48Å; A35-L119 PolarHBondContact N-O 3.44Å; A35-L119 PolarHBondContact O-N 2.78Å; D98-L119 HydrophobicContact CB-CD2 4.14Å; L102-L119 HydrophobicContact CD2-CB 3.64Å; L102-L119 HydrophobicContact CG-CB 4.03Å; L105-L119 HydrophobicContact CD1-CD1 3.86Å; L105-L119 HydrophobicContact CD1-CD2 4.14Å; L105-L119 HydrophobicContact CD1-CG 4.43Å; L119-F140 HydrophobicContact CD1-CD1 4.22Å
120	Q	98.9	Very high	96.1	Very high	76 Å²	76	50.7 Å²	50.7	36%	0.355	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	148.7	176.4	-71	168.6	-78.8	0	0	110.3	Y33 T34 T118 F140 A141	Y33-Q120 CarbonylContact O-C 3.56Å; Y33-Q120 VanDerWaalsContact O-CA 3.29Å; Y33-Q120 WeakPolarHBondContact O-CA 3.43Å; T34-Q120 HydrophobicContact CG2-CG 4.06Å; T118-Q120 HydrophobicContact CG2-CG 3.96Å; Q120-F140 CarbonylContact O-C 3.6Å; Q120-F140 VanDerWaalsContact O-CA 3.23Å; Q120-F140 WeakPolarHBondContact O-CA 3.35Å; Q120-A141 HydrophobicContact CB-CB 4.35Å; Q120-A141 PolarHBondContact N-O 3.35Å; Q120-A141 PolarHBondContact O-N 2.93Å
121	R	98.7	Very high	95.7	Very high	14 Å²	14	44.4 Å²	44.4	5%	0.053	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	132.3	173	-176.4	-169.2	-178.2	-169.9	-6.9	109.9	F32 Y33 Y123 N138 Q139 F140	F32-R121 WeakPolarHBondContact CA-O 3.49Å; Y33-R121 PolarHBondContact N-O 3.37Å; Y33-R121 PolarHBondContact O-N 3.04Å; R121-Y123 HydrophobicContact CG-CD1 4.34Å; R121-N138 VanDerWaalsContact CZ-OD1 3.31Å; R121-N138 PolarHBondContact NE-OD1 3.5Å; R121-N138 PolarHBondContact NH2-OD1 3.34Å; R121-Q139 WeakPolarHBondContact CA-O 3.47Å; R121-F140 HydrophobicContact CB-CD1 3.78Å; R121-F140 HydrophobicContact CB-CE1 3.81Å; R121-F140 HydrophobicContact CB-CG 4.4Å; R121-F140 HydrophobicContact CB-CZ 4.41Å; R121-F140 VanDerWaalsContact CD-CE1 3.45Å; R121-F140 HydrophobicContact CG-CD1 3.84Å; R121-F140 HydrophobicContact CG-CD2 4.3Å; R121-F140 HydrophobicContact CG-CE1 3.55Å; R121-F140 HydrophobicContact CG-CE2 4Å; R121-F140 HydrophobicContact CG-CG 4.22Å; R121-F140 HydrophobicContact CG-CZ 3.64Å; R121-F140 VanDerWaalsContact NE-CZ 3.34Å
122	M	98.8	Very high	95.6	Very high	25 Å²	25	49.6 Å²	49.6	12%	0.123	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130.6	164.8	-171.3	-77.6	-73.2	0	0	108.7	Y31 F32 Y137 N138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.37Å; F32-M122 HydrophobicContact CD1-CB 4.04Å; F32-M122 HydrophobicContact CD1-CG 3.63Å; F32-M122 HydrophobicContact CE1-CB 4.19Å; F32-M122 HydrophobicContact CE1-CG 3.38Å; F32-M122 HydrophobicContact CG-CG 4.45Å; F32-M122 HydrophobicContact CZ-CG 4.04Å; M122-Y137 HydrophobicContact CE-CD1 3.89Å; M122-Y137 HydrophobicContact CE-CG 3.98Å; M122-N138 WeakPolarHBondContact O-CA 3.04Å; M122-Q139 HydrophobicContact CB-CG 4.16Å; M122-Q139 HydrophobicContact CE-CG 4.19Å; M122-Q139 VanDerWaalsContact CE-OE1 3.3Å; M122-Q139 PolarHBondContact N-O 2.89Å; M122-Q139 PolarHBondContact O-N 3.42Å
123	Y	98.8	Very high	95.7	Very high	20 Å²	20	48.5 Å²	48.5	8%	0.078	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	154.9	170	75.2	-87.3	0	0	0	110.7	Y31 Y33 R121 Y137 Y183	Y31-Y123 VanDerWaalsContact CB-CE1 3.5Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.5Å; Y31-Y123 HydrophobicContact CD2-CD2 4.42Å; Y31-Y123 AromaticContact CD2-CE2 3.61Å; Y31-Y123 HydrophobicContact CD2-CE2 3.61Å; Y31-Y123 AromaticContact CD2-CZ 3.67Å; Y31-Y123 HydrophobicContact CE2-CE2 4.33Å; Y31-Y123 HydrophobicContact CG-CE1 4.18Å; Y31-Y123 HydrophobicContact CG-CE2 4.08Å; Y31-Y123 AromaticContact CG-CZ 3.65Å; Y31-Y123 PolarHBondContact N-O 3.36Å; Y31-Y123 PolarHBondContact O-N 2.93Å; Y31-Y123 VanDerWaalsContact O-N 3.1Å; Y33-Y123 HydrophobicContact CD2-CE1 4.18Å; Y33-Y123 HydrophobicContact CE1-CE1 4.16Å; Y33-Y123 AromaticContact CE2-CE1 3.58Å; Y33-Y123 HydrophobicContact CE2-CE1 3.58Å; Y33-Y123 AromaticContact CZ-CE1 3.59Å; Y33-Y123 PolarHBondContact OH-OH 2.87Å; R121-Y123 HydrophobicContact CG-CD1 4.34Å; Y123-Y137 WeakPolarHBondContact CA-O 3.28Å; Y123-Y137 VanDerWaalsContact CB-O 3.28Å; Y123-Y137 WeakPolarHBondContact CB-O 3.4Å; Y123-Y183 AromaticContact CD2-CE1 3.84Å; Y123-Y183 HydrophobicContact CD2-CE1 3.84Å; Y123-Y183 AromaticContact CE2-CE1 3.63Å; Y123-Y183 HydrophobicContact CE2-CE1 3.63Å; Y123-Y183 AromaticContact CE2-CZ 3.93Å
124	G	98.6	Very high	95.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.8	179.2	-173.5	0	0	0	0	0	113.6	M29 Y137 L184	M29-G124 CarbonylContact O-C 3.48Å; M29-G124 WeakPolarHBondContact O-CA 3.49Å; G124-Y137 PolarHBondContact N-O 2.86Å; G124-Y137 PolarHBondContact O-N 2.84Å; G124-L184 WeakPolarHBondContact O-CD2 3.43Å
125	C	98.5	Very high	96.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	147.4	179.6	51.7	0	0	0	0	110.5	S28 M29 L133 R135 C188	S28-C125 CarbonylContact C-O 3.55Å; S28-C125 WeakPolarHBondContact CA-O 3.38Å; M29-C125 PolarHBondContact N-O 2.87Å; M29-C125 PolarHBondContact O-N 3.24Å; C125-L133 HydrophobicContact CB-CD1 3.54Å; C125-R135 WeakPolarHBondContact CA-O 3.43Å; C125-C188 HydrophobicContact CB-CB 3.87Å; C125-C188 WeakPolarHBondContact CB-SG 3.4Å; C125-C188 PolarHBondContact N-SG 3.3Å; C125-C188 WeakPolarHBondContact SG-CB 3.39Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.42Å
126	D	98	Very high	96.4	Very high	22 Å²	22	45.4 Å²	45.4	12%	0.118	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	137.2	172.1	-59	-4.3	0	0	0	108.4	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.58Å; H27-D126 WeakPolarHBondContact O-CA 3.41Å; S28-D126 WeakPolarHBondContact CB-OD1 3.01Å; R30-D126 IonicContact CZ-OD1 3.83Å; R30-D126 VanDerWaalsContact CZ-OD1 3.24Å; R30-D126 IonicContact CZ-OD2 2.78Å; R30-D126 IonicContact NE-OD1 3.06Å; R30-D126 PolarHBondContact NE-OD1 2.93Å; R30-D126 IonicContact NH2-OD1 3.9Å; R30-D126 PolarHBondContact NH2-OD1 2.86Å; R30-D126 IonicContact NH2-OD2 3.5Å; R30-D126 PolarHBondContact NH2-OD2 3.2Å; D126-L134 PolarHBondContact O-N 2.93Å; D126-R135 HydrophobicContact CB-CB 4.49Å; D126-R135 PolarHBondContact N-O 3.39Å; D126-R135 PolarHBondContact O-N 3.44Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.28Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.47Å; D126-Y137 PolarHBondContact OD2-OH 2.86Å; D126-Y137 VanDerWaalsContact OD2-OH 3.04Å
127	L	97	Very high	96.4	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	138.1	175.6	-54.9	-177.3	0	0	0	110.4	S26 H27 R132 V189 L192 R193	S26-L127 WeakPolarHBondContact CA-O 3.23Å; S26-L127 VanDerWaalsContact CB-O 3.3Å; S26-L127 WeakPolarHBondContact CB-O 3.45Å; H27-L127 PolarHBondContact N-O 2.84Å; H27-L127 VanDerWaalsContact N-O 3.17Å; H27-L127 PolarHBondContact O-N 3.19Å; L127-R132 CarbonylContact C-O 3.59Å; L127-R132 WeakPolarHBondContact CA-O 3.37Å; L127-V189 HydrophobicContact CD1-CG1 4.49Å; L127-V189 HydrophobicContact CD2-CB 4.18Å; L127-V189 HydrophobicContact CD2-CG1 3.8Å; L127-V189 HydrophobicContact CD2-CG2 3.87Å; L127-L192 HydrophobicContact CD1-CB 4.29Å; L127-L192 HydrophobicContact CD1-CD2 3.72Å; L127-L192 HydrophobicContact CD1-CG 3.76Å; L127-L192 HydrophobicContact CD2-CD2 4.49Å; L127-L192 HydrophobicContact CG-CD2 3.6Å; L127-L192 HydrophobicContact CG-CG 4.23Å; L127-R193 HydrophobicContact CD1-CG 3.96Å
128	G	93.5	Very high	96.4	Very high	9 Å²	9	43 Å²	43	9%	0.093	22%	0.215	C	C	.	.			trans	-70.7	174.8	165.2	0	0	0	0	0	112.2	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.15Å; G128-G131 WeakPolarHBondContact O-CA 3.43Å; G128-G131 PolarHBondContact O-N 2.94Å; G128-R132 PolarHBondContact N-O 3.07Å
129	P	88.9	Confident	96.4	Very high	89 Å²	89	44.3 Å²	44.3	58%	0.578	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.9	179.7	-18.2	29.5	0	0	0	113.7	A24 G131	A24-P129 HydrophobicContact CB-CB 3.99Å; A24-P129 HydrophobicContact CB-CG 3.29Å; P129-G131 PolarHBondContact O-N 2.98Å
130	D	89.1	Confident	96.4	Very high	94 Å²	94	45 Å²	45	50%	0.503	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	4.7	172.5	74.8	-16.1	0	0	0	113	G128 R132	G128-D130 PolarHBondContact O-N 3.15Å; D130-R132 PolarHBondContact O-N 2.89Å; D130-R132 VanDerWaalsContact OD1-CB 3.3Å; D130-R132 WeakPolarHBondContact OD1-CB 3.09Å; D130-R132 PolarHBondContact OD1-N 3.36Å; D130-R132 WeakPolarHBondContact OD2-CD 3.47Å; D130-R132 VanDerWaalsContact OD2-CG 3.31Å; D130-R132 WeakPolarHBondContact OD2-CG 3.35Å; D130-R132 IonicContact OD2-CZ 3.49Å; D130-R132 IonicContact OD2-NE 3.49Å; D130-R132 PolarHBondContact OD2-NE 3.15Å; D130-R132 IonicContact OD2-NH1 3.66Å; D130-R132 PolarHBondContact OD2-NH1 2.86Å; D130-R132 VanDerWaalsContact OD2-NH1 3.13Å
131	G	89.6	Confident	96.4	Very high	20 Å²	20	42.1 Å²	42.1	21%	0.206	21%	0.211	C	C	.	.	S	Bend	trans	70.1	10.2	-178.5	0	0	0	0	0	114.4	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.43Å; G128-G131 PolarHBondContact O-N 2.94Å; P129-G131 PolarHBondContact O-N 2.98Å; G131-R193 VanDerWaalsContact O-CZ 3.28Å; G131-R193 PolarHBondContact O-NE 3.48Å; G131-R193 PolarHBondContact O-NH2 2.98Å
132	R	94.2	Very high	96.4	Very high	169 Å²	169	42 Å²	42	64%	0.638	21%	0.211	S	C	*	.	S	Bend	trans	-88.8	156	177.5	-60.9	-173.7	-173.4	145.7	-7.5	111.5	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.59Å; L127-R132 WeakPolarHBondContact CA-O 3.37Å; G128-R132 PolarHBondContact N-O 3.07Å; D130-R132 PolarHBondContact O-N 2.89Å; D130-R132 VanDerWaalsContact OD1-CB 3.3Å; D130-R132 WeakPolarHBondContact OD1-CB 3.09Å; D130-R132 PolarHBondContact OD1-N 3.36Å; D130-R132 WeakPolarHBondContact OD2-CD 3.47Å; D130-R132 VanDerWaalsContact OD2-CG 3.31Å; D130-R132 WeakPolarHBondContact OD2-CG 3.35Å; D130-R132 IonicContact OD2-CZ 3.49Å; D130-R132 IonicContact OD2-NE 3.49Å; D130-R132 PolarHBondContact OD2-NE 3.15Å; D130-R132 IonicContact OD2-NH1 3.66Å; D130-R132 PolarHBondContact OD2-NH1 2.86Å; D130-R132 VanDerWaalsContact OD2-NH1 3.13Å; R132-L134 PolarHBondContact O-N 2.94Å; R132-L134 VanDerWaalsContact O-N 3.12Å
133	L	96.9	Very high	96.4	Very high	51 Å²	51	43.7 Å²	43.7	27%	0.267	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	116.9	175	-175.9	72.9	0	0	0	110	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.54Å; L133-R135 VanDerWaalsContact CD1-O 3.32Å; L133-R135 WeakPolarHBondContact CD1-O 3.34Å; L133-L154 HydrophobicContact CD2-CD1 4.15Å; L133-E185 HydrophobicContact CD2-CB 4.47Å; L133-E185 HydrophobicContact CD2-CG 3.77Å; L133-V189 HydrophobicContact CB-CG2 4.03Å; L133-V189 HydrophobicContact CD1-CG2 4.16Å
134	L	96.3	Very high	96.4	Very high	124 Å²	124	45.8 Å²	45.8	65%	0.649	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	-45.5	170	-178.4	65.8	0	0	0	110.2	D126 R132	D126-L134 PolarHBondContact O-N 2.93Å; R132-L134 PolarHBondContact O-N 2.94Å; R132-L134 VanDerWaalsContact O-N 3.12Å
135	R	96.6	Very high	96.4	Very high	93 Å²	93	53.4 Å²	53.4	35%	0.351	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	144.6	-176.7	-171.2	162.6	170	136.5	10.2	112.2	C125 D126 L133 Y137 E152	C125-R135 WeakPolarHBondContact CA-O 3.43Å; D126-R135 HydrophobicContact CB-CB 4.49Å; D126-R135 PolarHBondContact N-O 3.39Å; D126-R135 PolarHBondContact O-N 3.44Å; L133-R135 VanDerWaalsContact CD1-O 3.32Å; L133-R135 WeakPolarHBondContact CD1-O 3.34Å; R135-Y137 HydrophobicContact CB-CE2 4.04Å; R135-Y137 VanDerWaalsContact CD-OH 3.22Å; R135-Y137 WeakPolarHBondContact CD-OH 3.27Å; R135-Y137 HydrophobicContact CG-CD2 4.37Å; R135-Y137 HydrophobicContact CG-CE1 4.29Å; R135-Y137 HydrophobicContact CG-CE2 3.69Å; R135-Y137 PolarHBondContact NE-OH 3.14Å; R135-E152 VanDerWaalsContact CZ-CD 3.45Å; R135-E152 IonicContact CZ-OE1 2.75Å; R135-E152 IonicContact NH1-OE1 3.29Å; R135-E152 PolarHBondContact NH1-OE1 2.93Å; R135-E152 IonicContact NH1-OE2 2.73Å; R135-E152 IonicContact NH2-OE1 3.02Å; R135-E152 PolarHBondContact NH2-OE1 3.39Å
136	G	98.1	Very high	96.4	Very high	6 Å²	6	59 Å²	59	6%	0.062	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	148.7	171.8	0	0	0	0	0	111.5
137	Y	98.4	Very high	96.4	Very high	41 Å²	41	58.3 Å²	58.3	16%	0.161	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	141.7	-177.5	-57.4	-99	0	0	0	110.8	R30 M122 Y123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CE2 3.29Å; R30-Y137 PolarHBondContact NH2-OH 2.78Å; M122-Y137 HydrophobicContact CE-CD1 3.89Å; M122-Y137 HydrophobicContact CE-CG 3.98Å; Y123-Y137 WeakPolarHBondContact CA-O 3.28Å; Y123-Y137 VanDerWaalsContact CB-O 3.28Å; Y123-Y137 WeakPolarHBondContact CB-O 3.4Å; G124-Y137 PolarHBondContact N-O 2.86Å; G124-Y137 PolarHBondContact O-N 2.84Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.28Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.47Å; D126-Y137 PolarHBondContact OD2-OH 2.86Å; D126-Y137 VanDerWaalsContact OD2-OH 3.04Å; R135-Y137 HydrophobicContact CB-CE2 4.04Å; R135-Y137 VanDerWaalsContact CD-OH 3.22Å; R135-Y137 WeakPolarHBondContact CD-OH 3.27Å; R135-Y137 HydrophobicContact CG-CD2 4.37Å; R135-Y137 HydrophobicContact CG-CE1 4.29Å; R135-Y137 HydrophobicContact CG-CE2 3.69Å; R135-Y137 PolarHBondContact NE-OH 3.14Å
138	N	98.6	Very high	96.5	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.011	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	95.7	164.7	179.3	66.2	0	0	0	109.2	R121 M122 L150 W157	R121-N138 VanDerWaalsContact CZ-OD1 3.31Å; R121-N138 PolarHBondContact NE-OD1 3.5Å; R121-N138 PolarHBondContact NH2-OD1 3.34Å; M122-N138 WeakPolarHBondContact O-CA 3.04Å; N138-L150 HydrophobicContact CB-CB 4.09Å; N138-L150 HydrophobicContact CB-CD2 4.22Å; N138-L150 WeakPolarHBondContact O-CB 3.43Å; N138-L150 PolarHBondContact O-N 2.64Å; N138-W157 WeakPolarHBondContact ND2-CH2 3.3Å
139	Q	98.7	Very high	96.7	Very high	67 Å²	67	59.4 Å²	59.4	31%	0.313	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151.6	-175.1	67.1	-166.1	79.6	0	0	111.8	R121 M122 I148 A149	R121-Q139 WeakPolarHBondContact CA-O 3.47Å; M122-Q139 HydrophobicContact CB-CG 4.16Å; M122-Q139 HydrophobicContact CE-CG 4.19Å; M122-Q139 VanDerWaalsContact CE-OE1 3.3Å; M122-Q139 PolarHBondContact N-O 2.89Å; M122-Q139 PolarHBondContact O-N 3.42Å; Q139-I148 WeakPolarHBondContact CA-O 3.15Å; Q139-A149 HydrophobicContact CB-CB 3.85Å
140	F	98.8	Very high	97.2	Very high	20 Å²	20	55.8 Å²	55.8	9%	0.088	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	142.8	-178	-64.8	-106.5	0	0	0	110.2	L119 Q120 R121 Y147 I148 W171	L119-F140 HydrophobicContact CD1-CD1 4.22Å; Q120-F140 CarbonylContact O-C 3.6Å; Q120-F140 VanDerWaalsContact O-CA 3.23Å; Q120-F140 WeakPolarHBondContact O-CA 3.35Å; R121-F140 HydrophobicContact CB-CD1 3.78Å; R121-F140 HydrophobicContact CB-CE1 3.81Å; R121-F140 HydrophobicContact CB-CG 4.4Å; R121-F140 HydrophobicContact CB-CZ 4.41Å; R121-F140 VanDerWaalsContact CD-CE1 3.45Å; R121-F140 HydrophobicContact CG-CD1 3.84Å; R121-F140 HydrophobicContact CG-CD2 4.3Å; R121-F140 HydrophobicContact CG-CE1 3.55Å; R121-F140 HydrophobicContact CG-CE2 4Å; R121-F140 HydrophobicContact CG-CG 4.22Å; R121-F140 HydrophobicContact CG-CZ 3.64Å; R121-F140 VanDerWaalsContact NE-CZ 3.34Å; F140-Y147 WeakPolarHBondContact O-CB 3.43Å; F140-Y147 PolarHBondContact O-N 3.46Å; F140-I148 HydrophobicContact CB-CG2 4.24Å; F140-I148 HydrophobicContact CD2-CG2 4.08Å; F140-I148 HydrophobicContact CG-CG2 4.45Å; F140-I148 PolarHBondContact N-O 2.85Å; F140-I148 PolarHBondContact O-N 2.87Å; F140-W171 AromaticContact CD2-CH2 3.83Å; F140-W171 HydrophobicContact CD2-CH2 3.83Å; F140-W171 HydrophobicContact CD2-CZ3 4.21Å; F140-W171 HydrophobicContact CE1-CH2 4.43Å; F140-W171 AromaticContact CE2-CH2 3.43Å; F140-W171 HydrophobicContact CE2-CH2 3.43Å; F140-W171 VanDerWaalsContact CE2-CH2 3.43Å; F140-W171 AromaticContact CE2-CZ3 3.92Å; F140-W171 HydrophobicContact CE2-CZ3 3.92Å; F140-W171 AromaticContact CZ-CH2 3.75Å; F140-W171 HydrophobicContact CZ-CH2 3.75Å; F140-W171 HydrophobicContact CZ-CZ2 4.46Å
141	A	98.9	Very high	97.7	Very high	15 Å²	15	53.4 Å²	53.4	12%	0.124	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	146.3	172.4	0	0	0	0	0	110.2	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.35Å; Q120-A141 PolarHBondContact N-O 3.35Å; Q120-A141 PolarHBondContact O-N 2.93Å; A141-K145 CarbonylContact C-O 3.54Å; A141-K145 WeakPolarHBondContact CA-O 3.31Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.45Å
142	Y	98.8	Very high	98	Very high	11 Å²	11	58.7 Å²	58.7	4%	0.043	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	130	177.4	-174.4	-123.3	0	0	0	110	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.02Å; L105-Y142 HydrophobicContact CB-CD1 4.29Å; L105-Y142 HydrophobicContact CB-CD2 4.24Å; L105-Y142 HydrophobicContact CB-CE1 3.89Å; L105-Y142 HydrophobicContact CB-CE2 3.87Å; L105-Y142 HydrophobicContact CB-CG 4.44Å; L105-Y142 HydrophobicContact CD1-CD2 3.67Å; L105-Y142 HydrophobicContact CD1-CE2 3.95Å; L105-Y142 HydrophobicContact CD1-CG 4.1Å; L105-Y142 HydrophobicContact CD2-CD1 4.49Å; L105-Y142 HydrophobicContact CD2-CG 4.42Å; L105-Y142 HydrophobicContact CG-CD2 4.43Å; L105-Y142 HydrophobicContact CG-CE2 4.49Å; Y109-Y142 AromaticContact CD2-CD1 3.74Å; Y109-Y142 HydrophobicContact CD2-CD1 3.74Å; Y109-Y142 AromaticContact CD2-CE1 3.49Å; Y109-Y142 HydrophobicContact CD2-CE1 3.49Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.49Å; Y109-Y142 AromaticContact CE2-CD1 3.48Å; Y109-Y142 HydrophobicContact CE2-CD1 3.48Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.48Å; Y109-Y142 AromaticContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CG-CE1 4.43Å; Q111-Y142 PolarHBondContact OE1-OH 3.37Å; H117-Y142 HydrophobicContact CB-CE2 3.81Å; H117-Y142 WeakPolarHBondContact CB-OH 3.3Å; H117-Y142 VanDerWaalsContact CG-OH 3.22Å; H117-Y142 AromaticContact ND1-CZ 3.94Å; H117-Y142 PolarHBondContact ND1-OH 3.12Å; T118-Y142 CarbonylContact O-C 3.54Å; T118-Y142 WeakPolarHBondContact O-CA 3.46Å; T118-Y142 VanDerWaalsContact O-CD2 3.28Å; T118-Y142 WeakPolarHBondContact O-CD2 3.47Å; Y142-G144 PolarHBondContact O-N 3.48Å; Y142-G144 VanDerWaalsContact O-N 3.16Å; Y142-K145 PolarHBondContact N-O 3.37Å; Y142-K145 PolarHBondContact O-N 3.4Å
143	D	98.4	Very high	98.2	Very high	61 Å²	61	54.3 Å²	54.3	33%	0.326	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	41.8	-174	-64.3	-21.8	0	0	0	113.1	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.45Å; H117-D143 WeakPolarHBondContact CA-OD1 3.35Å; H117-D143 WeakPolarHBondContact CB-OD1 3.33Å; H117-D143 IonicContact CE1-OD2 3.63Å; H117-D143 IonicContact CG-OD1 3.34Å; H117-D143 IonicContact CG-OD2 2.65Å; H117-D143 IonicContact ND1-OD1 3.8Å; H117-D143 PolarHBondContact ND1-OD1 2.94Å; H117-D143 IonicContact ND1-OD2 3.25Å; H117-D143 PolarHBondContact ND1-OD2 3.47Å; T118-D143 PolarHBondContact N-OD1 3.39Å; T118-D143 PolarHBondContact O-N 3.29Å; D143-K145 VanDerWaalsContact C-N 3.35Å; D143-K145 PolarHBondContact O-N 2.89Å
144	G	97.6	Very high	98.3	Very high	63 Å²	63	52.2 Å²	52.2	65%	0.649	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	8.4	178.2	0	0	0	0	0	115.8	Y142	Y142-G144 PolarHBondContact O-N 3.48Å; Y142-G144 VanDerWaalsContact O-N 3.16Å
145	K	98.6	Very high	98.3	Very high	161 Å²	161	54.1 Å²	54.1	70%	0.7	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	145.5	178.6	-61.5	177.8	-176.4	175.9	0	111	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.54Å; A141-K145 WeakPolarHBondContact CA-O 3.31Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.45Å; Y142-K145 PolarHBondContact N-O 3.37Å; Y142-K145 PolarHBondContact O-N 3.4Å; D143-K145 VanDerWaalsContact C-N 3.35Å; D143-K145 PolarHBondContact O-N 2.89Å; K145-Y147 PolarHBondContact O-N 3.44Å
146	D	98.8	Very high	98.4	Very high	117 Å²	117	51.7 Å²	51.7	63%	0.626	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.6	136.7	174	-69.9	-46.2	0	0	0	111.3	A160	D146-A160 WeakPolarHBondContact O-CB 3.16Å
147	Y	98.8	Very high	98.4	Very high	8 Å²	8	51.9 Å²	51.9	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	-62.8	-179.8	179.5	-106.6	0	0	0	110.7	L105 Y109 F140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.31Å; L105-Y147 HydrophobicContact CD2-CD2 3.97Å; L105-Y147 HydrophobicContact CD2-CE1 3.8Å; L105-Y147 HydrophobicContact CD2-CE2 3.38Å; L105-Y147 HydrophobicContact CD2-CG 4.4Å; Y109-Y147 HydrophobicContact CE2-CD2 4.36Å; Y109-Y147 HydrophobicContact CE2-CE2 4.07Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.38Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.47Å; F140-Y147 WeakPolarHBondContact O-CB 3.43Å; F140-Y147 PolarHBondContact O-N 3.46Å; K145-Y147 PolarHBondContact O-N 3.44Å; Y147-A160 WeakPolarHBondContact O-CB 3.34Å; Y147-A160 PolarHBondContact O-N 3.19Å; Y147-A163 HydrophobicContact CE2-CB 4.4Å; Y147-A163 PolarHBondContact OH-O 3.28Å; Y147-A164 HydrophobicContact CD2-CB 3.9Å; Y147-A164 HydrophobicContact CE1-CB 4.45Å; Y147-A164 HydrophobicContact CE2-CB 3.75Å; Y147-A164 HydrophobicContact CG-CB 4.31Å; Y147-A164 WeakPolarHBondContact O-CB 3.5Å; Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 PolarHBondContact OH-OG1 3.17Å
148	I	98.8	Very high	98.4	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.015	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	138.9	177.9	-160.9	174.6	0	0	0	110.9	Q139 F140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.15Å; F140-I148 HydrophobicContact CB-CG2 4.24Å; F140-I148 HydrophobicContact CD2-CG2 4.08Å; F140-I148 HydrophobicContact CG-CG2 4.45Å; F140-I148 PolarHBondContact N-O 2.85Å; F140-I148 PolarHBondContact O-N 2.87Å; I148-W157 HydrophobicContact CD1-CB 4.15Å; I148-W157 HydrophobicContact CD1-CD2 4.43Å; I148-W157 HydrophobicContact CD1-CE3 4.28Å; I148-W157 HydrophobicContact CD1-CG 4.4Å; I148-W157 HydrophobicContact CG1-CB 4.25Å; I148-W157 HydrophobicContact CG1-CE3 4.17Å; I148-T158 WeakPolarHBondContact CA-O 3.47Å; I148-T158 WeakPolarHBondContact CG1-O 3.49Å; I148-T167 HydrophobicContact CD1-CG2 4.06Å; I148-T167 HydrophobicContact CG2-CG2 4.49Å; I148-Q168 HydrophobicContact CD1-CB 3.92Å; I148-W171 HydrophobicContact CD1-CE3 4.06Å; I148-W171 HydrophobicContact CD1-CZ3 4.26Å; I148-W171 HydrophobicContact CG2-CE3 4.39Å; I148-W171 HydrophobicContact CG2-CH2 3.95Å; I148-W171 HydrophobicContact CG2-CZ3 3.57Å
149	A	98.8	Very high	98.4	Very high	32 Å²	32	54.6 Å²	54.6	26%	0.264	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	140	178.4	0	0	0	0	0	111.4	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.85Å; A149-W157 CarbonylContact O-C 3.58Å; A149-W157 WeakPolarHBondContact O-CA 3.34Å; A149-T158 PolarHBondContact N-O 3.03Å; A149-T158 PolarHBondContact O-N 2.87Å
150	L	98.8	Very high	98.4	Very high	14 Å²	14	54.3 Å²	54.3	7%	0.073	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	130.1	165.7	-174.4	69.7	0	0	0	108.5	N138 L154 W157 A177 R180 L184	N138-L150 HydrophobicContact CB-CB 4.09Å; N138-L150 HydrophobicContact CB-CD2 4.22Å; N138-L150 WeakPolarHBondContact O-CB 3.43Å; N138-L150 PolarHBondContact O-N 2.64Å; L150-L154 HydrophobicContact CD2-CB 4.45Å; L150-L154 HydrophobicContact CD2-CD2 3.77Å; L150-L154 HydrophobicContact CG-CD2 4.36Å; L150-W157 HydrophobicContact CB-CE3 3.96Å; L150-W157 HydrophobicContact CB-CH2 4.19Å; L150-W157 HydrophobicContact CB-CZ3 3.69Å; L150-W157 HydrophobicContact CD1-CD2 4.1Å; L150-W157 HydrophobicContact CD1-CE3 4.2Å; L150-W157 HydrophobicContact CD1-CH2 4.03Å; L150-W157 HydrophobicContact CD1-CZ2 3.9Å; L150-W157 HydrophobicContact CD1-CZ3 4.17Å; L150-A177 HydrophobicContact CD1-CB 3.96Å; L150-R180 HydrophobicContact CD2-CB 4.01Å; L150-L184 HydrophobicContact CD2-CD1 3.93Å
151	N	98.6	Very high	98.4	Very high	43 Å²	43	56.1 Å²	56.1	23%	0.23	31%	0.313	C	S	.	.			trans	-74.9	165.3	-179.6	-66.3	-23.9	0	0	0	111.7	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.91Å; N151-D153 VanDerWaalsContact O-N 3.12Å; N151-L154 PolarHBondContact O-N 3.14Å; N151-S156 WeakPolarHBondContact CB-O 3.24Å; N151-S156 PolarHBondContact N-O 2.86Å; N151-S156 PolarHBondContact ND2-OG 3.16Å; N151-T158 PolarHBondContact ND2-OG1 3.19Å; N151-T158 WeakPolarHBondContact OD1-CB 3.44Å; N151-T158 PolarHBondContact OD1-N 3.04Å; N151-T158 PolarHBondContact OD1-OG1 2.92Å
152	E	97.5	Very high	98.4	Very high	132 Å²	132	63.8 Å²	63.8	62%	0.617	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.5	-178.5	-63.1	178.7	-164.3	0	0	113.6	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.45Å; R135-E152 IonicContact CZ-OE1 2.75Å; R135-E152 IonicContact NH1-OE1 3.29Å; R135-E152 PolarHBondContact NH1-OE1 2.93Å; R135-E152 IonicContact NH1-OE2 2.73Å; R135-E152 IonicContact NH2-OE1 3.02Å; R135-E152 PolarHBondContact NH2-OE1 3.39Å; E152-L154 PolarHBondContact O-N 2.92Å
153	D	97.6	Very high	98.3	Very high	76 Å²	76	63.7 Å²	63.7	41%	0.406	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-8.6	173.3	71	-0.4	0	0	0	114	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.91Å; N151-D153 VanDerWaalsContact O-N 3.12Å; D153-R155 WeakPolarHBondContact O-CD 3.44Å; D153-R155 VanDerWaalsContact O-CG 3.3Å; D153-R155 WeakPolarHBondContact O-CG 3.37Å; D153-R155 PolarHBondContact O-N 2.9Å; D153-R155 VanDerWaalsContact O-N 3.17Å; D153-R155 PolarHBondContact OD1-N 3.36Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.8Å; D153-S156 PolarHBondContact OD1-OG 3.4Å; D153-S156 WeakPolarHBondContact OD2-CB 3.42Å; D153-S156 PolarHBondContact OD2-N 2.89Å; D153-S156 PolarHBondContact OD2-OG 3.4Å
154	L	98.1	Very high	98.4	Very high	8 Å²	8	60.8 Å²	60.8	4%	0.042	33%	0.329	C	S	.	.	S	Bend	trans	52.6	27	-173.5	-53.9	-178.8	0	0	0	113.8	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.15Å; L150-L154 HydrophobicContact CD2-CB 4.45Å; L150-L154 HydrophobicContact CD2-CD2 3.77Å; L150-L154 HydrophobicContact CG-CD2 4.36Å; N151-L154 PolarHBondContact O-N 3.14Å; E152-L154 PolarHBondContact O-N 2.92Å; L154-R181 HydrophobicContact CB-CB 4.03Å; L154-R181 HydrophobicContact CB-CG 3.77Å; L154-R181 HydrophobicContact CD1-CG 4.2Å; L154-R181 WeakPolarHBondContact O-CD 3.29Å; L154-L184 HydrophobicContact CD2-CD1 4.03Å; L154-E185 HydrophobicContact CD1-CG 4.19Å
155	R	97.7	Very high	98.4	Very high	163 Å²	163	61.3 Å²	61.3	62%	0.615	32%	0.315	S	S	*	.	S	Bend	trans	-133.8	-35.8	-172.9	-70.9	163.2	-176.6	-97.3	9.6	113	D153 A177	D153-R155 WeakPolarHBondContact O-CD 3.44Å; D153-R155 VanDerWaalsContact O-CG 3.3Å; D153-R155 WeakPolarHBondContact O-CG 3.37Å; D153-R155 PolarHBondContact O-N 2.9Å; D153-R155 VanDerWaalsContact O-N 3.17Å; D153-R155 PolarHBondContact OD1-N 3.36Å; R155-A177 WeakPolarHBondContact O-CB 3.4Å
156	S	98	Very high	98.4	Very high	42 Å²	42	56.5 Å²	56.5	29%	0.294	30%	0.296	S	S	.	.			trans	-110.7	163.8	-178.6	62.7	0	0	0	0	112	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.24Å; N151-S156 PolarHBondContact N-O 2.86Å; N151-S156 PolarHBondContact ND2-OG 3.16Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.8Å; D153-S156 PolarHBondContact OD1-OG 3.4Å; D153-S156 WeakPolarHBondContact OD2-CB 3.42Å; D153-S156 PolarHBondContact OD2-N 2.89Å; D153-S156 PolarHBondContact OD2-OG 3.4Å
157	W	98.7	Very high	98.4	Very high	10 Å²	10	51.7 Å²	51.7	4%	0.038	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	144	-179	-59	91.4	0	0	0	110.9	N138 I148 A149 L150 Q168 W171 E176 A177 R180	N138-W157 WeakPolarHBondContact ND2-CH2 3.3Å; I148-W157 HydrophobicContact CD1-CB 4.15Å; I148-W157 HydrophobicContact CD1-CD2 4.43Å; I148-W157 HydrophobicContact CD1-CE3 4.28Å; I148-W157 HydrophobicContact CD1-CG 4.4Å; I148-W157 HydrophobicContact CG1-CB 4.25Å; I148-W157 HydrophobicContact CG1-CE3 4.17Å; A149-W157 CarbonylContact O-C 3.58Å; A149-W157 WeakPolarHBondContact O-CA 3.34Å; L150-W157 HydrophobicContact CB-CE3 3.96Å; L150-W157 HydrophobicContact CB-CH2 4.19Å; L150-W157 HydrophobicContact CB-CZ3 3.69Å; L150-W157 HydrophobicContact CD1-CD2 4.1Å; L150-W157 HydrophobicContact CD1-CE3 4.2Å; L150-W157 HydrophobicContact CD1-CH2 4.03Å; L150-W157 HydrophobicContact CD1-CZ2 3.9Å; L150-W157 HydrophobicContact CD1-CZ3 4.17Å; W157-Q168 HydrophobicContact CB-CG 4.28Å; W157-Q168 PolarHBondContact O-NE2 3.34Å; W157-W171 HydrophobicContact CD2-CE3 4.02Å; W157-W171 AromaticContact CE2-CE3 3.89Å; W157-W171 AromaticContact CE3-CE3 3.85Å; W157-W171 HydrophobicContact CE3-CE3 3.85Å; W157-W171 AromaticContact CE3-CZ3 3.95Å; W157-W171 HydrophobicContact CE3-CZ3 3.95Å; W157-W171 AromaticContact CH2-CE3 3.46Å; W157-W171 HydrophobicContact CH2-CE3 3.46Å; W157-W171 VanDerWaalsContact CH2-CE3 3.46Å; W157-W171 AromaticContact CH2-CZ3 3.58Å; W157-W171 HydrophobicContact CH2-CZ3 3.58Å; W157-W171 HydrophobicContact CZ2-CD2 4.45Å; W157-W171 AromaticContact CZ2-CE3 3.64Å; W157-W171 HydrophobicContact CZ2-CE3 3.64Å; W157-W171 HydrophobicContact CZ2-CZ3 4.25Å; W157-W171 AromaticContact CZ3-CE3 3.58Å; W157-W171 HydrophobicContact CZ3-CE3 3.58Å; W157-W171 AromaticContact CZ3-CZ3 3.42Å; W157-W171 HydrophobicContact CZ3-CZ3 3.42Å; W157-W171 VanDerWaalsContact CZ3-CZ3 3.42Å; W157-E176 HydrophobicContact CZ2-CB 4.08Å; W157-A177 HydrophobicContact CZ2-CB 4.27Å; W157-R180 HydrophobicContact CH2-CG 4.23Å
158	T	98.7	Very high	98.4	Very high	79 Å²	79	53.2 Å²	53.2	49%	0.485	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	120.9	165.5	-65.6	0	0	0	0	108.9	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.47Å; I148-T158 WeakPolarHBondContact CG1-O 3.49Å; A149-T158 PolarHBondContact N-O 3.03Å; A149-T158 PolarHBondContact O-N 2.87Å; N151-T158 PolarHBondContact ND2-OG1 3.19Å; N151-T158 WeakPolarHBondContact OD1-CB 3.44Å; N151-T158 PolarHBondContact OD1-N 3.04Å; N151-T158 PolarHBondContact OD1-OG1 2.92Å
159	A	98.7	Very high	98.4	Very high	21 Å²	21	60.3 Å²	60.3	17%	0.174	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	129.2	176.4	0	0	0	0	0	110.2	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.68Å; A159-Q165 HydrophobicContact CB-CG 4.06Å; A159-Q168 HydrophobicContact CB-CB 4.37Å
160	A	98.5	Very high	98.3	Very high	62 Å²	62	64.2 Å²	64.2	51%	0.512	32%	0.316	S	S	.	.	S	Bend	trans	-71.9	-31.2	-175.5	0	0	0	0	0	113.5	D146 Y147	D146-A160 WeakPolarHBondContact O-CB 3.16Å; Y147-A160 WeakPolarHBondContact O-CB 3.34Å; Y147-A160 PolarHBondContact O-N 3.19Å
161	D	98.3	Very high	98.3	Very high	57 Å²	57	66 Å²	66	31%	0.305	32%	0.322	S	S	.	.	S	Bend	trans	-150.1	-173	-177.7	70.6	29.1	0	0	0	114	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.42Å; Y109-D161 VanDerWaalsContact OH-CG 3.28Å; Y109-D161 PolarHBondContact OH-OD1 2.88Å; Y109-D161 PolarHBondContact OH-OD2 2.94Å; D161-A163 VanDerWaalsContact C-N 3.34Å; D161-A163 PolarHBondContact O-N 3.37Å; D161-A163 WeakPolarHBondContact OD1-CA 3.41Å; D161-A163 WeakPolarHBondContact OD1-CB 3.24Å; D161-A163 PolarHBondContact OD1-N 2.78Å; D161-A164 PolarHBondContact O-N 3.3Å; D161-A164 PolarHBondContact OD1-N 2.85Å; D161-Q165 WeakPolarHBondContact O-CG 3.37Å; D161-Q165 PolarHBondContact O-N 2.95Å
162	K	98.3	Very high	98.3	Very high	177 Å²	177	68.3 Å²	68.3	77%	0.77	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-27.7	-179.8	-67	-178.3	-179.6	176.7	0	114.2
163	A	98.1	Very high	98.4	Very high	8 Å²	8	66.3 Å²	66.3	7%	0.066	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-43.4	174.7	0	0	0	0	0	110	Y108 Y109 Y147 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.47Å; Y109-A163 HydrophobicContact CD1-CB 4.24Å; Y109-A163 HydrophobicContact CD2-CB 4.43Å; Y109-A163 HydrophobicContact CE1-CB 3.71Å; Y109-A163 HydrophobicContact CE2-CB 3.91Å; Y147-A163 HydrophobicContact CE2-CB 4.4Å; Y147-A163 PolarHBondContact OH-O 3.28Å; D161-A163 VanDerWaalsContact C-N 3.34Å; D161-A163 PolarHBondContact O-N 3.37Å; D161-A163 WeakPolarHBondContact OD1-CA 3.41Å; D161-A163 WeakPolarHBondContact OD1-CB 3.24Å; D161-A163 PolarHBondContact OD1-N 2.78Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 2.86Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.22Å; A163-I166 PolarHBondContact O-N 3.04Å
164	A	98.6	Very high	98.4	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-57.9	-36.6	173.2	0	0	0	0	0	113.1	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.9Å; Y147-A164 HydrophobicContact CE1-CB 4.45Å; Y147-A164 HydrophobicContact CE2-CB 3.75Å; Y147-A164 HydrophobicContact CG-CB 4.31Å; Y147-A164 WeakPolarHBondContact O-CB 3.5Å; A159-A164 HydrophobicContact CB-CB 3.68Å; D161-A164 PolarHBondContact O-N 3.3Å; D161-A164 PolarHBondContact OD1-N 2.85Å; A164-I166 PolarHBondContact O-N 2.81Å; A164-T167 WeakPolarHBondContact O-CB 3.41Å; A164-T167 PolarHBondContact O-N 2.86Å; A164-Q168 PolarHBondContact O-N 3Å
165	Q	98.7	Very high	98.4	Very high	75 Å²	75	72.4 Å²	72.4	35%	0.35	37%	0.366	S	S	.	.	H	α-helix	trans	-59.3	-25.4	172.5	-73.9	175.7	14.2	0	0	113.7	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.06Å; D161-Q165 WeakPolarHBondContact O-CG 3.37Å; D161-Q165 PolarHBondContact O-N 2.95Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 2.86Å; Q165-R169 WeakPolarHBondContact O-CG 3.28Å; Q165-R169 PolarHBondContact O-N 3.36Å
166	I	98.5	Very high	98.4	Very high	59 Å²	59	66.5 Å²	66.5	30%	0.303	35%	0.345	S	S	.	.	H	α-helix	trans	-70.5	-42.3	173.9	-53.9	172	0	0	0	109.9	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.06Å; Y108-I166 HydrophobicContact CD2-CD1 4.43Å; Y108-I166 HydrophobicContact CE1-CD1 4.4Å; Y108-I166 HydrophobicContact CE1-CG2 3.99Å; Y108-I166 HydrophobicContact CE2-CB 4.18Å; Y108-I166 HydrophobicContact CE2-CG2 4.15Å; Y108-I166 HydrophobicContact CG-CD1 4.08Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.22Å; A163-I166 PolarHBondContact O-N 3.04Å; A164-I166 PolarHBondContact O-N 2.81Å; I166-K170 WeakPolarHBondContact O-CG 3.3Å; I166-K170 PolarHBondContact O-N 2.8Å
167	T	98.4	Very high	98.4	Very high	16 Å²	16	64.9 Å²	64.9	10%	0.098	34%	0.335	C	S	.	.	H	α-helix	trans	-65.8	-45.4	173.3	-70.4	0	0	0	0	111.2	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 PolarHBondContact OH-OG1 3.17Å; I148-T167 HydrophobicContact CD1-CG2 4.06Å; I148-T167 HydrophobicContact CG2-CG2 4.49Å; A164-T167 WeakPolarHBondContact O-CB 3.41Å; A164-T167 PolarHBondContact O-N 2.86Å; T167-R169 PolarHBondContact O-N 3.24Å; T167-K170 WeakPolarHBondContact O-CB 3.19Å; T167-K170 PolarHBondContact O-N 2.84Å; T167-K170 VanDerWaalsContact O-N 3.12Å; T167-W171 HydrophobicContact CG2-CD2 3.58Å; T167-W171 VanDerWaalsContact CG2-CE2 3.45Å; T167-W171 HydrophobicContact CG2-CE3 3.95Å; T167-W171 HydrophobicContact CG2-CG 4.05Å; T167-W171 HydrophobicContact CG2-CH2 4.05Å; T167-W171 HydrophobicContact CG2-CZ2 3.72Å; T167-W171 HydrophobicContact CG2-CZ3 4.17Å; T167-W171 WeakPolarHBondContact O-CB 3.37Å; T167-W171 PolarHBondContact O-N 3.37Å
168	Q	98.7	Very high	98.4	Very high	40 Å²	40	69.8 Å²	69.8	19%	0.187	36%	0.358	C	S	.	.	H	α-helix	trans	-51.1	-55.7	178	176.6	173	10.7	0	0	111.8	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.92Å; W157-Q168 HydrophobicContact CB-CG 4.28Å; W157-Q168 PolarHBondContact O-NE2 3.34Å; A159-Q168 HydrophobicContact CB-CB 4.37Å; A164-Q168 PolarHBondContact O-N 3Å; Q168-K170 VanDerWaalsContact C-N 3.27Å; Q168-K170 PolarHBondContact O-N 3.03Å; Q168-W171 PolarHBondContact O-N 2.92Å; Q168-W171 VanDerWaalsContact O-N 3.07Å; Q168-E172 VanDerWaalsContact CG-CD 3.48Å; Q168-E172 HydrophobicContact CG-CG 4.27Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.44Å; Q168-E172 PolarHBondContact NE2-OE1 3.17Å; Q168-E172 WeakPolarHBondContact O-CB 3.33Å; Q168-E172 WeakPolarHBondContact O-CG 3.48Å; Q168-E172 PolarHBondContact O-N 3.12Å
169	R	98.7	Very high	98.3	Very high	153 Å²	153	71.6 Å²	71.6	58%	0.577	36%	0.361	S	S	*	.	H	α-helix	trans	-59.2	-36.8	-179.7	-67.4	170.1	-164.1	149.2	11.1	112.8	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.28Å; Q165-R169 PolarHBondContact O-N 3.36Å; T167-R169 PolarHBondContact O-N 3.24Å; R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.45Å; R169-A173 PolarHBondContact O-N 2.77Å; R169-A173 VanDerWaalsContact O-N 3.09Å
170	K	98.3	Very high	98.3	Very high	113 Å²	113	73.9 Å²	73.9	49%	0.491	37%	0.365	S	S	.	.	H	α-helix	trans	-67.2	-42.5	175.9	-72.8	175.9	177.2	-176.6	0	111.6	Y108 I166 T167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 3.11Å; I166-K170 WeakPolarHBondContact O-CG 3.3Å; I166-K170 PolarHBondContact O-N 2.8Å; T167-K170 WeakPolarHBondContact O-CB 3.19Å; T167-K170 PolarHBondContact O-N 2.84Å; T167-K170 VanDerWaalsContact O-N 3.12Å; Q168-K170 VanDerWaalsContact C-N 3.27Å; Q168-K170 PolarHBondContact O-N 3.03Å; K170-A174 VanDerWaalsContact O-CB 3.26Å; K170-A174 WeakPolarHBondContact O-CB 3.22Å; K170-A174 PolarHBondContact O-N 2.64Å
171	W	98.4	Very high	98.2	Very high	53 Å²	53	74.5 Å²	74.5	20%	0.201	35%	0.354	C	S	.	.	H	α-helix	trans	-74.2	-33.6	-179.1	-75.3	4.4	0	0	0	113.3	F140 I148 W157 T167 Q168 A174 R175 E176	F140-W171 AromaticContact CD2-CH2 3.83Å; F140-W171 HydrophobicContact CD2-CH2 3.83Å; F140-W171 HydrophobicContact CD2-CZ3 4.21Å; F140-W171 HydrophobicContact CE1-CH2 4.43Å; F140-W171 AromaticContact CE2-CH2 3.43Å; F140-W171 HydrophobicContact CE2-CH2 3.43Å; F140-W171 VanDerWaalsContact CE2-CH2 3.43Å; F140-W171 AromaticContact CE2-CZ3 3.92Å; F140-W171 HydrophobicContact CE2-CZ3 3.92Å; F140-W171 AromaticContact CZ-CH2 3.75Å; F140-W171 HydrophobicContact CZ-CH2 3.75Å; F140-W171 HydrophobicContact CZ-CZ2 4.46Å; I148-W171 HydrophobicContact CD1-CE3 4.06Å; I148-W171 HydrophobicContact CD1-CZ3 4.26Å; I148-W171 HydrophobicContact CG2-CE3 4.39Å; I148-W171 HydrophobicContact CG2-CH2 3.95Å; I148-W171 HydrophobicContact CG2-CZ3 3.57Å; W157-W171 HydrophobicContact CD2-CE3 4.02Å; W157-W171 AromaticContact CE2-CE3 3.89Å; W157-W171 AromaticContact CE3-CE3 3.85Å; W157-W171 HydrophobicContact CE3-CE3 3.85Å; W157-W171 AromaticContact CE3-CZ3 3.95Å; W157-W171 HydrophobicContact CE3-CZ3 3.95Å; W157-W171 AromaticContact CH2-CE3 3.46Å; W157-W171 HydrophobicContact CH2-CE3 3.46Å; W157-W171 VanDerWaalsContact CH2-CE3 3.46Å; W157-W171 AromaticContact CH2-CZ3 3.58Å; W157-W171 HydrophobicContact CH2-CZ3 3.58Å; W157-W171 HydrophobicContact CZ2-CD2 4.45Å; W157-W171 AromaticContact CZ2-CE3 3.64Å; W157-W171 HydrophobicContact CZ2-CE3 3.64Å; W157-W171 HydrophobicContact CZ2-CZ3 4.25Å; W157-W171 AromaticContact CZ3-CE3 3.58Å; W157-W171 HydrophobicContact CZ3-CE3 3.58Å; W157-W171 AromaticContact CZ3-CZ3 3.42Å; W157-W171 HydrophobicContact CZ3-CZ3 3.42Å; W157-W171 VanDerWaalsContact CZ3-CZ3 3.42Å; T167-W171 HydrophobicContact CG2-CD2 3.58Å; T167-W171 VanDerWaalsContact CG2-CE2 3.45Å; T167-W171 HydrophobicContact CG2-CE3 3.95Å; T167-W171 HydrophobicContact CG2-CG 4.05Å; T167-W171 HydrophobicContact CG2-CH2 4.05Å; T167-W171 HydrophobicContact CG2-CZ2 3.72Å; T167-W171 HydrophobicContact CG2-CZ3 4.17Å; T167-W171 WeakPolarHBondContact O-CB 3.37Å; T167-W171 PolarHBondContact O-N 3.37Å; Q168-W171 PolarHBondContact O-N 2.92Å; Q168-W171 VanDerWaalsContact O-N 3.07Å; W171-A174 CarbonylContact O-C 3.58Å; W171-R175 WeakPolarHBondContact O-CA 3.42Å; W171-R175 PolarHBondContact O-N 3.31Å; W171-E176 HydrophobicContact CB-CB 3.95Å; W171-E176 HydrophobicContact CB-CG 4.01Å; W171-E176 HydrophobicContact CD2-CG 4.43Å; W171-E176 HydrophobicContact CG-CB 4.11Å; W171-E176 HydrophobicContact CG-CG 3.83Å; W171-E176 PolarHBondContact O-N 2.87Å
172	E	98.5	Very high	98.3	Very high	91 Å²	91	74.9 Å²	74.9	43%	0.425	37%	0.365	S	S	.	.	H	α-helix	trans	-65.5	-48.3	170.4	-72.2	167.7	170.7	0	0	110.9	Q168 A174 R175	Q168-E172 VanDerWaalsContact CG-CD 3.48Å; Q168-E172 HydrophobicContact CG-CG 4.27Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.44Å; Q168-E172 PolarHBondContact NE2-OE1 3.17Å; Q168-E172 WeakPolarHBondContact O-CB 3.33Å; Q168-E172 WeakPolarHBondContact O-CG 3.48Å; Q168-E172 PolarHBondContact O-N 3.12Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 3.1Å; E172-R175 PolarHBondContact O-N 2.74Å; E172-R175 VanDerWaalsContact O-N 3.08Å
173	A	98.4	Very high	98.3	Very high	89 Å²	89	69.1 Å²	69.1	74%	0.736	34%	0.338	S	S	*	.	H	α-helix	trans	-61.6	-35.4	175.9	0	0	0	0	0	113	R169	R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.45Å; R169-A173 PolarHBondContact O-N 2.77Å; R169-A173 VanDerWaalsContact O-N 3.09Å
174	A	98	Very high	98.3	Very high	56 Å²	56	68.9 Å²	68.9	46%	0.463	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-2.3	176	0	0	0	0	0	114.4	K170 W171 E172 E176	K170-A174 VanDerWaalsContact O-CB 3.26Å; K170-A174 WeakPolarHBondContact O-CB 3.22Å; K170-A174 PolarHBondContact O-N 2.64Å; W171-A174 CarbonylContact O-C 3.58Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 3.1Å; A174-E176 HydrophobicContact CB-CG 4.29Å; A174-E176 PolarHBondContact O-N 2.88Å
175	R	97.8	Very high	98.3	Very high	156 Å²	156	73 Å²	73	59%	0.589	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	35.2	-176.4	-59	173.2	173	-132.2	9.9	114.3	W171 E172 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.42Å; W171-R175 PolarHBondContact O-N 3.31Å; E172-R175 PolarHBondContact O-N 2.74Å; E172-R175 VanDerWaalsContact O-N 3.08Å; R175-A177 PolarHBondContact O-N 3.36Å; R175-A177 VanDerWaalsContact O-N 3.11Å; R175-E178 HydrophobicContact CB-CG 4.17Å; R175-E178 WeakPolarHBondContact CD-OE1 3.33Å; R175-E178 IonicContact CZ-OE1 3.48Å; R175-E178 IonicContact NE-OE1 3.5Å; R175-E178 IonicContact NH1-OE1 2.68Å; R175-E178 PolarHBondContact NH1-OE1 2.82Å; R175-E178 IonicContact NH1-OE2 2.74Å; R175-E178 WeakPolarHBondContact O-CB 3.23Å; R175-E178 PolarHBondContact O-N 2.79Å
176	E	97.7	Very high	98.2	Very high	39 Å²	39	70.6 Å²	70.6	18%	0.182	35%	0.351	C	S	.	.	H	α-helix	trans	-54.2	-35	-179.1	-79.2	-79.1	157.6	0	0	112.7	W157 W171 A174 E178 Q179 R180	W157-E176 HydrophobicContact CZ2-CB 4.08Å; W171-E176 HydrophobicContact CB-CB 3.95Å; W171-E176 HydrophobicContact CB-CG 4.01Å; W171-E176 HydrophobicContact CD2-CG 4.43Å; W171-E176 HydrophobicContact CG-CB 4.11Å; W171-E176 HydrophobicContact CG-CG 3.83Å; W171-E176 PolarHBondContact O-N 2.87Å; A174-E176 HydrophobicContact CB-CG 4.29Å; A174-E176 PolarHBondContact O-N 2.88Å; E176-E178 VanDerWaalsContact C-N 3.29Å; E176-E178 PolarHBondContact O-N 2.89Å; E176-Q179 PolarHBondContact O-N 2.96Å; E176-Q179 VanDerWaalsContact O-N 3.14Å; E176-R180 WeakPolarHBondContact O-CG 3.38Å; E176-R180 PolarHBondContact O-N 2.89Å; E176-R180 IonicContact OE2-CZ 3.55Å; E176-R180 IonicContact OE2-NE 2.7Å; E176-R180 IonicContact OE2-NH2 2.76Å; E176-R180 PolarHBondContact OE2-NH2 3.47Å
177	A	98.4	Very high	98.2	Very high	9 Å²	9	70.1 Å²	70.1	7%	0.074	35%	0.35	C	S	.	.	H	α-helix	trans	-58.2	-37.8	177.4	0	0	0	0	0	112.7	L150 R155 W157 R175 Q179 R180 R181	L150-A177 HydrophobicContact CD1-CB 3.96Å; R155-A177 WeakPolarHBondContact O-CB 3.4Å; W157-A177 HydrophobicContact CZ2-CB 4.27Å; R175-A177 PolarHBondContact O-N 3.36Å; R175-A177 VanDerWaalsContact O-N 3.11Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 2.93Å; A177-R180 PolarHBondContact O-N 3.38Å; A177-R181 WeakPolarHBondContact O-CB 3.25Å; A177-R181 PolarHBondContact O-N 2.98Å
178	E	98.1	Very high	98.2	Very high	112 Å²	112	69.3 Å²	69.3	52%	0.523	35%	0.346	S	S	.	.	H	α-helix	trans	-61.7	-41.8	177.3	-62.8	178.4	-175.5	0	0	111	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.17Å; R175-E178 WeakPolarHBondContact CD-OE1 3.33Å; R175-E178 IonicContact CZ-OE1 3.48Å; R175-E178 IonicContact NE-OE1 3.5Å; R175-E178 IonicContact NH1-OE1 2.68Å; R175-E178 PolarHBondContact NH1-OE1 2.82Å; R175-E178 IonicContact NH1-OE2 2.74Å; R175-E178 WeakPolarHBondContact O-CB 3.23Å; R175-E178 PolarHBondContact O-N 2.79Å; E176-E178 VanDerWaalsContact C-N 3.29Å; E176-E178 PolarHBondContact O-N 2.89Å; E178-A182 WeakPolarHBondContact O-CB 3.34Å; E178-A182 PolarHBondContact O-N 3.45Å
179	Q	97	Very high	98.2	Very high	117 Å²	117	67.9 Å²	67.9	55%	0.547	34%	0.339	S	S	.	.	H	α-helix	trans	-69.9	-41.3	177.4	-59.2	-174.5	22.3	0	0	112.4	E176 A177 Y183	E176-Q179 PolarHBondContact O-N 2.96Å; E176-Q179 VanDerWaalsContact O-N 3.14Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 2.93Å; Q179-Y183 PolarHBondContact O-N 3.34Å; Q179-Y183 VanDerWaalsContact O-N 3.14Å
180	R	98.1	Very high	98.2	Very high	70 Å²	70	66.3 Å²	66.3	26%	0.264	34%	0.339	S	S	.	.	H	α-helix	trans	-64.7	-44.4	176.6	-59.6	-58.3	159.4	-158.2	-7.6	110.8	L150 W157 E176 A177 Y183 L184	L150-R180 HydrophobicContact CD2-CB 4.01Å; W157-R180 HydrophobicContact CH2-CG 4.23Å; E176-R180 WeakPolarHBondContact O-CG 3.38Å; E176-R180 PolarHBondContact O-N 2.89Å; E176-R180 IonicContact OE2-CZ 3.55Å; E176-R180 IonicContact OE2-NE 2.7Å; E176-R180 IonicContact OE2-NH2 2.76Å; E176-R180 PolarHBondContact OE2-NH2 3.47Å; A177-R180 PolarHBondContact O-N 3.38Å; R180-Y183 PolarHBondContact O-N 3.34Å; R180-L184 WeakPolarHBondContact O-CB 3.43Å; R180-L184 WeakPolarHBondContact O-CG 3.48Å; R180-L184 PolarHBondContact O-N 3.49Å
181	R	98.4	Very high	98.2	Very high	75 Å²	75	63 Å²	63	28%	0.283	32%	0.323	S	S	.	.	H	α-helix	trans	-59.4	-47.5	176.1	-174.2	170.1	177.9	-113.4	-19.1	112	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.03Å; L154-R181 HydrophobicContact CB-CG 3.77Å; L154-R181 HydrophobicContact CD1-CG 4.2Å; L154-R181 WeakPolarHBondContact O-CD 3.29Å; A177-R181 WeakPolarHBondContact O-CB 3.25Å; A177-R181 PolarHBondContact O-N 2.98Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 3.3Å; R181-L184 PolarHBondContact O-N 2.94Å; R181-L184 VanDerWaalsContact O-N 3.13Å; R181-E185 VanDerWaalsContact CG-CD 3.5Å; R181-E185 HydrophobicContact CG-CG 4.06Å; R181-E185 IonicContact CZ-OE1 2.89Å; R181-E185 IonicContact CZ-OE2 2.64Å; R181-E185 VanDerWaalsContact CZ-OE2 3.29Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 3.81Å; R181-E185 PolarHBondContact NE-OE1 3.5Å; R181-E185 IonicContact NE-OE2 3.03Å; R181-E185 PolarHBondContact NE-OE2 2.98Å; R181-E185 VanDerWaalsContact NH2-CD 3.31Å; R181-E185 IonicContact NH2-OE1 2.72Å; R181-E185 PolarHBondContact NH2-OE1 3.39Å; R181-E185 IonicContact NH2-OE2 3.73Å; R181-E185 PolarHBondContact NH2-OE2 3.14Å; R181-E185 WeakPolarHBondContact O-CB 3.45Å; R181-E185 PolarHBondContact O-N 3.44Å
182	A	98.4	Very high	98.1	Very high	64 Å²	64	60.4 Å²	60.4	53%	0.529	31%	0.313	S	S	.	.	H	α-helix	trans	-59.1	-39.3	176.9	0	0	0	0	0	113	E178 G186	E178-A182 WeakPolarHBondContact O-CB 3.34Å; E178-A182 PolarHBondContact O-N 3.45Å; A182-G186 PolarHBondContact O-N 2.91Å; A182-G186 VanDerWaalsContact O-N 3.17Å
183	Y	98.3	Very high	98.1	Very high	56 Å²	56	62 Å²	62	22%	0.22	32%	0.315	C	S	.	.	I	π-helix	trans	-67	-43.9	173	172.6	-95.7	0	0	0	112.5	Y123 Q179 R180 R181 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.84Å; Y123-Y183 HydrophobicContact CD2-CE1 3.84Å; Y123-Y183 AromaticContact CE2-CE1 3.63Å; Y123-Y183 HydrophobicContact CE2-CE1 3.63Å; Y123-Y183 AromaticContact CE2-CZ 3.93Å; Q179-Y183 PolarHBondContact O-N 3.34Å; Q179-Y183 VanDerWaalsContact O-N 3.14Å; R180-Y183 PolarHBondContact O-N 3.34Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 3.3Å; Y183-T187 HydrophobicContact CD2-CG2 3.92Å; Y183-T187 HydrophobicContact CE2-CG2 3.7Å; Y183-T187 PolarHBondContact O-N 2.91Å; Y183-C188 HydrophobicContact CD1-CB 4.37Å; Y183-C188 HydrophobicContact CE1-CB 3.93Å; Y183-C188 WeakPolarHBondContact O-CB 3.47Å; Y183-C188 PolarHBondContact O-N 2.98Å
184	L	98.6	Very high	98	Very high	3 Å²	3	63.4 Å²	63.4	2%	0.016	30%	0.302	C	S	.	.	I	π-helix	trans	-72.9	-38.4	-175.1	-68.6	167.5	0	0	0	113	G124 L150 L154 R180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.43Å; L150-L184 HydrophobicContact CD2-CD1 3.93Å; L154-L184 HydrophobicContact CD2-CD1 4.03Å; R180-L184 WeakPolarHBondContact O-CB 3.43Å; R180-L184 WeakPolarHBondContact O-CG 3.48Å; R180-L184 PolarHBondContact O-N 3.49Å; R181-L184 PolarHBondContact O-N 2.94Å; R181-L184 VanDerWaalsContact O-N 3.13Å; L184-V189 WeakPolarHBondContact O-CG2 3.42Å
185	E	98.2	Very high	98	Very high	87 Å²	87	60.8 Å²	60.8	41%	0.407	28%	0.28	S	S	.	.	I	π-helix	trans	-79.7	-28.3	177.9	-67.7	-179.1	161.5	0	0	113.2	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.47Å; L133-E185 HydrophobicContact CD2-CG 3.77Å; L154-E185 HydrophobicContact CD1-CG 4.19Å; R181-E185 VanDerWaalsContact CG-CD 3.5Å; R181-E185 HydrophobicContact CG-CG 4.06Å; R181-E185 IonicContact CZ-OE1 2.89Å; R181-E185 IonicContact CZ-OE2 2.64Å; R181-E185 VanDerWaalsContact CZ-OE2 3.29Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 3.81Å; R181-E185 PolarHBondContact NE-OE1 3.5Å; R181-E185 IonicContact NE-OE2 3.03Å; R181-E185 PolarHBondContact NE-OE2 2.98Å; R181-E185 VanDerWaalsContact NH2-CD 3.31Å; R181-E185 IonicContact NH2-OE1 2.72Å; R181-E185 PolarHBondContact NH2-OE1 3.39Å; R181-E185 IonicContact NH2-OE2 3.73Å; R181-E185 PolarHBondContact NH2-OE2 3.14Å; R181-E185 WeakPolarHBondContact O-CB 3.45Å; R181-E185 PolarHBondContact O-N 3.44Å
186	G	98	Very high	97.9	Very high	24 Å²	24	54 Å²	54	25%	0.247	26%	0.255	C	S	.	.	I	π-helix	trans	-104.9	-91.2	179.3	0	0	0	0	0	112.7	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.91Å; A182-G186 VanDerWaalsContact O-N 3.17Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 2.9Å; G186-C188 VanDerWaalsContact O-N 3.14Å; G186-V189 WeakPolarHBondContact O-CB 3.12Å; G186-V189 PolarHBondContact O-N 2.89Å; G186-E190 WeakPolarHBondContact O-CG 3.35Å; G186-E190 PolarHBondContact O-N 3.37Å
187	T	98.1	Very high	97.8	Very high	49 Å²	49	57.6 Å²	57.6	30%	0.301	27%	0.272	S	S	.	.	I	π-helix	trans	-52.9	-40.2	-169.4	-54.4	0	0	0	0	113.8	Y183 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.92Å; Y183-T187 HydrophobicContact CE2-CG2 3.7Å; Y183-T187 PolarHBondContact O-N 2.91Å; T187-E190 PolarHBondContact O-N 3.01Å; T187-W191 VanDerWaalsContact O-CD1 3.23Å; T187-W191 PolarHBondContact O-N 2.89Å
188	C	98.4	Very high	97.8	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.1	-47.5	179.4	-167.9	0	0	0	0	111.5	M29 C125 Y183 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 WeakPolarHBondContact CE-O 3.19Å; M29-C188 WeakPolarHBondContact CE-SG 3.44Å; C125-C188 HydrophobicContact CB-CB 3.87Å; C125-C188 WeakPolarHBondContact CB-SG 3.4Å; C125-C188 PolarHBondContact N-SG 3.3Å; C125-C188 WeakPolarHBondContact SG-CB 3.39Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.42Å; Y183-C188 HydrophobicContact CD1-CB 4.37Å; Y183-C188 HydrophobicContact CE1-CB 3.93Å; Y183-C188 WeakPolarHBondContact O-CB 3.47Å; Y183-C188 PolarHBondContact O-N 2.98Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 2.9Å; G186-C188 VanDerWaalsContact O-N 3.14Å; C188-E190 PolarHBondContact O-N 3.03Å; C188-W191 PolarHBondContact O-N 2.87Å; C188-L192 WeakPolarHBondContact O-CB 3.41Å; C188-L192 PolarHBondContact O-N 3.33Å
189	V	98.3	Very high	97.6	Very high	9 Å²	9	54.4 Å²	54.4	6%	0.055	26%	0.258	C	S	.	.	H	α-helix	trans	-61.2	-45	176.8	179.2	0	0	0	0	111.3	L127 L133 L184 G186 R193	L127-V189 HydrophobicContact CD1-CG1 4.49Å; L127-V189 HydrophobicContact CD2-CB 4.18Å; L127-V189 HydrophobicContact CD2-CG1 3.8Å; L127-V189 HydrophobicContact CD2-CG2 3.87Å; L133-V189 HydrophobicContact CB-CG2 4.03Å; L133-V189 HydrophobicContact CD1-CG2 4.16Å; L184-V189 WeakPolarHBondContact O-CG2 3.42Å; G186-V189 WeakPolarHBondContact O-CB 3.12Å; G186-V189 PolarHBondContact O-N 2.89Å; V189-R193 WeakPolarHBondContact O-CB 3.46Å; V189-R193 VanDerWaalsContact O-CG 3.3Å; V189-R193 WeakPolarHBondContact O-CG 3.4Å; V189-R193 PolarHBondContact O-N 3.45Å
190	E	98.1	Very high	97.5	Very high	120 Å²	120	53.2 Å²	53.2	56%	0.561	25%	0.251	S	S	*	.	H	α-helix	trans	-61.4	-47.9	179.6	-69.4	172	164.8	0	0	112.4	G186 T187 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3.35Å; G186-E190 PolarHBondContact O-N 3.37Å; T187-E190 PolarHBondContact O-N 3.01Å; C188-E190 PolarHBondContact O-N 3.03Å; E190-R194 PolarHBondContact O-N 2.74Å; E190-R194 VanDerWaalsContact O-N 3.09Å
191	W	98.1	Very high	97.1	Very high	43 Å²	43	59.3 Å²	59.3	16%	0.163	28%	0.279	C	S	.	.	H	α-helix	trans	-70.6	-39.4	-179.5	-81.2	94	0	0	0	112.4	M29 Y83 T187 C188 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.14Å; M29-W191 HydrophobicContact SD-CB 4.48Å; Y83-W191 AromaticContact CD2-CH2 3.54Å; Y83-W191 HydrophobicContact CD2-CH2 3.54Å; Y83-W191 HydrophobicContact CD2-CZ2 4.3Å; Y83-W191 AromaticContact CD2-CZ3 3.67Å; Y83-W191 HydrophobicContact CD2-CZ3 3.67Å; Y83-W191 HydrophobicContact CE2-CE3 4.06Å; Y83-W191 AromaticContact CE2-CH2 3.88Å; Y83-W191 HydrophobicContact CE2-CH2 3.88Å; Y83-W191 AromaticContact CE2-CZ3 3.57Å; Y83-W191 HydrophobicContact CE2-CZ3 3.57Å; T187-W191 VanDerWaalsContact O-CD1 3.23Å; T187-W191 PolarHBondContact O-N 2.89Å; C188-W191 PolarHBondContact O-N 2.87Å; W191-R194 WeakPolarHBondContact O-CB 3.3Å; W191-R194 PolarHBondContact O-N 2.74Å; W191-Y195 HydrophobicContact CB-CE2 4.07Å; W191-Y195 HydrophobicContact CE3-CD1 4.44Å; W191-Y195 AromaticContact CE3-CE1 3.56Å; W191-Y195 HydrophobicContact CE3-CE1 3.56Å; W191-Y195 HydrophobicContact CE3-CE2 4.36Å; W191-Y195 AromaticContact CE3-CZ 3.5Å; W191-Y195 VanDerWaalsContact CE3-OH 3.3Å; W191-Y195 AromaticContact CZ3-CE1 3.99Å; W191-Y195 HydrophobicContact CZ3-CE1 3.99Å; W191-Y195 VanDerWaalsContact O-CD2 3.22Å; W191-Y195 WeakPolarHBondContact O-CD2 3.47Å; W191-Y195 PolarHBondContact O-N 2.94Å
192	L	98.3	Very high	96.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.5	-46	175.1	174.3	50.6	0	0	0	111.4	H27 M29 V52 L127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.48Å; M29-L192 HydrophobicContact CB-CB 4.02Å; M29-L192 HydrophobicContact CB-CD1 4.05Å; M29-L192 HydrophobicContact CB-CD2 3.91Å; M29-L192 HydrophobicContact CB-CG 4.21Å; M29-L192 HydrophobicContact CE-CB 4.25Å; M29-L192 HydrophobicContact SD-CB 4.47Å; V52-L192 HydrophobicContact CG1-CD1 3.58Å; V52-L192 HydrophobicContact CG2-CD1 4.23Å; L127-L192 HydrophobicContact CD1-CB 4.29Å; L127-L192 HydrophobicContact CD1-CD2 3.72Å; L127-L192 HydrophobicContact CD1-CG 3.76Å; L127-L192 HydrophobicContact CD2-CD2 4.49Å; L127-L192 HydrophobicContact CG-CD2 3.6Å; L127-L192 HydrophobicContact CG-CG 4.23Å; C188-L192 WeakPolarHBondContact O-CB 3.41Å; C188-L192 PolarHBondContact O-N 3.33Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 3.24Å; L192-Y195 PolarHBondContact O-N 2.9Å; L192-L196 HydrophobicContact CD1-CD1 3.75Å; L192-L196 HydrophobicContact CD1-CD2 4.36Å; L192-L196 HydrophobicContact CD1-CG 3.79Å; L192-L196 HydrophobicContact CG-CD1 3.98Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.45Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.32Å; L192-L196 PolarHBondContact O-N 3.03Å
193	R	97	Very high	96.4	Very high	123 Å²	123	55.3 Å²	55.3	46%	0.464	26%	0.257	S	S	.	.	H	α-helix	trans	-57.8	-42.7	173.6	-72.1	172.9	-177.8	170.8	0.2	112.5	L127 G131 V189 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.96Å; G131-R193 VanDerWaalsContact O-CZ 3.28Å; G131-R193 PolarHBondContact O-NE 3.48Å; G131-R193 PolarHBondContact O-NH2 2.98Å; V189-R193 WeakPolarHBondContact O-CB 3.46Å; V189-R193 VanDerWaalsContact O-CG 3.3Å; V189-R193 WeakPolarHBondContact O-CG 3.4Å; V189-R193 PolarHBondContact O-N 3.45Å; R193-L196 PolarHBondContact O-N 3.02Å; R193-E197 PolarHBondContact O-N 3.49Å; R193-E197 VanDerWaalsContact O-N 3.12Å
194	R	97.3	Very high	96	Very high	120 Å²	120	57.1 Å²	57.1	45%	0.453	27%	0.267	S	S	.	.	H	α-helix	trans	-62	-45.5	175.9	177.1	177.2	174.2	123.2	-2.5	111.7	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.62Å; E79-R194 VanDerWaalsContact OE1-CZ 3.3Å; E79-R194 IonicContact OE1-NE 3.36Å; E79-R194 PolarHBondContact OE1-NE 2.68Å; E79-R194 IonicContact OE1-NH2 3.3Å; E79-R194 PolarHBondContact OE1-NH2 2.96Å; E79-R194 IonicContact OE2-CZ 2.65Å; E79-R194 IonicContact OE2-NE 3.24Å; E79-R194 IonicContact OE2-NH2 3.45Å; E79-R194 PolarHBondContact OE2-NH2 2.84Å; E190-R194 PolarHBondContact O-N 2.74Å; E190-R194 VanDerWaalsContact O-N 3.09Å; W191-R194 WeakPolarHBondContact O-CB 3.3Å; W191-R194 PolarHBondContact O-N 2.74Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 3.24Å; R194-E197 PolarHBondContact O-N 2.86Å; R194-N198 WeakPolarHBondContact O-CB 3.39Å; R194-N198 PolarHBondContact O-N 2.93Å; R194-N198 PolarHBondContact O-OD1 3.38Å
195	Y	97.6	Very high	95.6	Very high	1 Å²	1	60.5 Å²	60.5	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-66.3	-38.4	178.1	-61.8	-32.9	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 3.51Å; M29-Y195 VanDerWaalsContact SD-CE2 3.51Å; V52-Y195 HydrophobicContact CG2-CD2 3.87Å; V52-Y195 HydrophobicContact CG2-CG 4.39Å; F57-Y195 HydrophobicContact CE1-CE2 4.47Å; F57-Y195 AromaticContact CE2-CE2 3.79Å; F57-Y195 HydrophobicContact CE2-CE2 3.79Å; F57-Y195 AromaticContact CE2-CZ 3.87Å; F57-Y195 HydrophobicContact CZ-CD2 4.34Å; F57-Y195 AromaticContact CZ-CE2 3.72Å; F57-Y195 HydrophobicContact CZ-CE2 3.72Å; W75-Y195 HydrophobicContact CE3-CD1 4.29Å; W75-Y195 HydrophobicContact CH2-CG 4.12Å; W75-Y195 AromaticContact CZ3-CD1 3.59Å; W75-Y195 HydrophobicContact CZ3-CD1 3.59Å; W75-Y195 HydrophobicContact CZ3-CD2 4.33Å; W75-Y195 HydrophobicContact CZ3-CE1 4.35Å; W75-Y195 AromaticContact CZ3-CG 3.58Å; W75-Y195 HydrophobicContact CZ3-CG 3.58Å; V76-Y195 HydrophobicContact CG2-CE1 4.22Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.31Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.44Å; Y83-Y195 PolarHBondContact OH-OH 2.9Å; W191-Y195 HydrophobicContact CB-CE2 4.07Å; W191-Y195 HydrophobicContact CE3-CD1 4.44Å; W191-Y195 AromaticContact CE3-CE1 3.56Å; W191-Y195 HydrophobicContact CE3-CE1 3.56Å; W191-Y195 HydrophobicContact CE3-CE2 4.36Å; W191-Y195 AromaticContact CE3-CZ 3.5Å; W191-Y195 VanDerWaalsContact CE3-OH 3.3Å; W191-Y195 AromaticContact CZ3-CE1 3.99Å; W191-Y195 HydrophobicContact CZ3-CE1 3.99Å; W191-Y195 VanDerWaalsContact O-CD2 3.22Å; W191-Y195 WeakPolarHBondContact O-CD2 3.47Å; W191-Y195 PolarHBondContact O-N 2.94Å; L192-Y195 PolarHBondContact O-N 2.9Å; Y195-E197 VanDerWaalsContact C-N 3.35Å; Y195-E197 PolarHBondContact O-N 2.66Å; Y195-N198 PolarHBondContact O-N 3.46Å; Y195-G199 WeakPolarHBondContact O-CA 3.35Å; Y195-G199 PolarHBondContact O-N 2.64Å; Y195-L203 WeakPolarHBondContact O-CD1 3.36Å
196	L	96.1	Very high	95.3	Very high	14 Å²	14	58.4 Å²	58.4	7%	0.073	28%	0.277	C	S	.	.	H	α-helix	trans	-63.4	-37	175.6	-72.4	168.4	0	0	0	112.8	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 3.99Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.27Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; L192-L196 HydrophobicContact CD1-CD1 3.75Å; L192-L196 HydrophobicContact CD1-CD2 4.36Å; L192-L196 HydrophobicContact CD1-CG 3.79Å; L192-L196 HydrophobicContact CG-CD1 3.98Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.45Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.32Å; L192-L196 PolarHBondContact O-N 3.03Å; R193-L196 PolarHBondContact O-N 3.02Å; L196-K200 WeakPolarHBondContact O-CA 3.41Å; L196-K200 WeakPolarHBondContact O-CB 3.39Å; L196-K200 PolarHBondContact O-N 3.07Å; L196-L203 HydrophobicContact CD2-CB 4.14Å; L196-L203 HydrophobicContact CD2-CD1 4.29Å; L196-Q204 PolarHBondContact O-NE2 3.12Å
197	E	95.9	Very high	95.1	Very high	114 Å²	114	60.5 Å²	60.5	53%	0.533	28%	0.281	S	S	.	.	H	α-helix	trans	-75.9	-43.7	174.8	-169	59.6	-150.8	0	0	111.6	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.49Å; R193-E197 VanDerWaalsContact O-N 3.12Å; R194-E197 PolarHBondContact O-N 2.86Å; Y195-E197 VanDerWaalsContact C-N 3.35Å; Y195-E197 PolarHBondContact O-N 2.66Å; E197-G199 VanDerWaalsContact C-N 3.34Å; E197-G199 PolarHBondContact O-N 2.81Å; E197-K200 WeakPolarHBondContact O-CB 3.48Å; E197-K200 PolarHBondContact O-N 2.9Å; E197-K200 IonicContact OE1-NZ 3.54Å; E197-K200 PolarHBondContact OE1-NZ 3.12Å; E197-K200 IonicContact OE2-NZ 2.99Å; E197-K200 PolarHBondContact OE2-NZ 3.17Å
198	N	96.6	Very high	95	Very high	52 Å²	52	63.5 Å²	63.5	28%	0.278	29%	0.291	S	S	.	.	H	α-helix	trans	-57.8	-45.4	175.1	-71.1	-1.6	0	0	0	112.2	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.45Å; Q78-N198 PolarHBondContact NE2-ND2 3.29Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.12Å; Q78-N198 PolarHBondContact NE2-OD1 3.12Å; E79-N198 PolarHBondContact OE1-ND2 2.95Å; R194-N198 WeakPolarHBondContact O-CB 3.39Å; R194-N198 PolarHBondContact O-N 2.93Å; R194-N198 PolarHBondContact O-OD1 3.38Å; Y195-N198 PolarHBondContact O-N 3.46Å
199	G	95.5	Very high	94.9	Very high	2 Å²	2	63.7 Å²	63.7	2%	0.021	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	12.9	-175.2	0	0	0	0	0	114.3	W75 Y195 E197 K201 T202 L203	W75-G199 VanDerWaalsContact CG-CA 3.45Å; Y195-G199 WeakPolarHBondContact O-CA 3.35Å; Y195-G199 PolarHBondContact O-N 2.64Å; E197-G199 VanDerWaalsContact C-N 3.34Å; E197-G199 PolarHBondContact O-N 2.81Å; G199-K201 VanDerWaalsContact C-N 3.28Å; G199-K201 PolarHBondContact O-N 3.41Å; G199-T202 WeakPolarHBondContact O-CA 3.32Å; G199-T202 PolarHBondContact O-N 2.84Å; G199-L203 PolarHBondContact O-N 3.38Å
200	K	93.5	Very high	94.9	Very high	92 Å²	92	70 Å²	70	40%	0.4	32%	0.319	S	S	.	.	H	α-helix	trans	-46	-43.6	-170.5	-171.7	164.5	-161.3	157.5	0	115.3	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.41Å; L196-K200 WeakPolarHBondContact O-CB 3.39Å; L196-K200 PolarHBondContact O-N 3.07Å; E197-K200 WeakPolarHBondContact O-CB 3.48Å; E197-K200 PolarHBondContact O-N 2.9Å; E197-K200 IonicContact OE1-NZ 3.54Å; E197-K200 PolarHBondContact OE1-NZ 3.12Å; E197-K200 IonicContact OE2-NZ 2.99Å; E197-K200 PolarHBondContact OE2-NZ 3.17Å; K200-T202 PolarHBondContact O-N 3.25Å; K200-Q204 WeakPolarHBondContact O-CB 3.35Å; K200-Q204 PolarHBondContact O-N 2.82Å; K200-Q204 VanDerWaalsContact O-N 3.12Å
201	K	91.4	Very high	94.9	Very high	198 Å²	198	65.9 Å²	65.9	86%	0.861	30%	0.302	S	S	*	.	H	α-helix	trans	-66.4	-18.2	178.8	-65.5	-178	179.3	177.6	0	114.5	G199	G199-K201 VanDerWaalsContact C-N 3.28Å; G199-K201 PolarHBondContact O-N 3.41Å
202	T	90.6	Very high	94.8	Very high	51 Å²	51	67.6 Å²	67.6	31%	0.313	31%	0.312	S	S	.	.	H	α-helix	trans	-114.6	-35.2	-174.2	-53.4	0	0	0	0	112.4	G199 K200 R205	G199-T202 WeakPolarHBondContact O-CA 3.32Å; G199-T202 PolarHBondContact O-N 2.84Å; K200-T202 PolarHBondContact O-N 3.25Å; T202-R205 WeakPolarHBondContact O-CG 3.3Å; T202-R205 PolarHBondContact O-NE 2.89Å
203	L	91.4	Very high	94.8	Very high	4 Å²	4	68.8 Å²	68.8	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-91.7	-35	-176.8	-60.7	173.4	0	0	0	112.7	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.2Å; V52-L203 HydrophobicContact CG1-CD1 3.86Å; V52-L203 HydrophobicContact CG1-CD2 4.12Å; T55-L203 HydrophobicContact CG2-CD2 4.02Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.33Å; W75-L203 HydrophobicContact CZ2-CD1 3.8Å; W75-L203 HydrophobicContact CZ2-CD2 4.02Å; W75-L203 HydrophobicContact CZ2-CG 4.33Å; Y195-L203 WeakPolarHBondContact O-CD1 3.36Å; L196-L203 HydrophobicContact CD2-CB 4.14Å; L196-L203 HydrophobicContact CD2-CD1 4.29Å; G199-L203 PolarHBondContact O-N 3.38Å; L203-R205 VanDerWaalsContact C-N 3.34Å
204	Q	89.1	Confident	94.8	Very high	94 Å²	94	64.6 Å²	64.6	44%	0.439	31%	0.307	S	S	.	.	S	Bend	trans	-100.2	32.8	177.8	-57.1	173.1	30.3	0	0	111.3	L196 K200	L196-Q204 PolarHBondContact O-NE2 3.12Å; K200-Q204 WeakPolarHBondContact O-CB 3.35Å; K200-Q204 PolarHBondContact O-N 2.82Å; K200-Q204 VanDerWaalsContact O-N 3.12Å
205	R	90.4	Very high	94.7	Very high	73 Å²	73	61.4 Å²	61.4	28%	0.275	30%	0.297	S	S	.	.			trans	-105	144.3	170	75.5	-172.3	164.9	157.2	1.3	108.3	T202 L203 E207 Y233	T202-R205 WeakPolarHBondContact O-CG 3.3Å; T202-R205 PolarHBondContact O-NE 2.89Å; L203-R205 VanDerWaalsContact C-N 3.34Å; R205-E207 WeakPolarHBondContact CD-OE1 3.47Å; R205-E207 HydrophobicContact CG-CG 4.48Å; R205-E207 IonicContact CZ-OE1 3.13Å; R205-E207 VanDerWaalsContact CZ-OE1 3.26Å; R205-E207 IonicContact NE-OE1 2.76Å; R205-E207 IonicContact NH1-OE1 3.31Å; R205-E207 PolarHBondContact NH1-OE1 3.2Å; R205-Y233 HydrophobicContact CG-CD1 4.15Å; R205-Y233 WeakPolarHBondContact O-CD1 3.37Å
206	A	92.1	Very high	94.5	Very high	44 Å²	44	65.2 Å²	65.2	36%	0.364	32%	0.315	S	S	.	.			trans	-114.1	123	162.1	0	0	0	0	0	108.4	Y233	A206-Y233 CarbonylContact C-O 3.56Å; A206-Y233 WeakPolarHBondContact CA-O 2.98Å
207	E	94.1	Very high	94.4	Very high	67 Å²	67	69.3 Å²	69.3	31%	0.313	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-102.1	119.9	174	-66.8	-170.8	-161.2	0	0	108.3	R205 F232 Y233 H287	R205-E207 WeakPolarHBondContact CD-OE1 3.47Å; R205-E207 HydrophobicContact CG-CG 4.48Å; R205-E207 IonicContact CZ-OE1 3.13Å; R205-E207 VanDerWaalsContact CZ-OE1 3.26Å; R205-E207 IonicContact NE-OE1 2.76Å; R205-E207 IonicContact NH1-OE1 3.31Å; R205-E207 PolarHBondContact NH1-OE1 3.2Å; E207-F232 WeakPolarHBondContact O-CA 3.37Å; E207-F232 VanDerWaalsContact O-CB 3.31Å; E207-F232 WeakPolarHBondContact O-CB 3.02Å; E207-Y233 PolarHBondContact N-O 2.8Å; E207-Y233 PolarHBondContact O-N 3.01Å; E207-Y233 VanDerWaalsContact O-N 3.08Å; E207-H287 PolarHBondContact O-CE1 3.12Å
208	H	95.1	Very high	94.2	Very high	112 Å²	112	68.3 Å²	68.3	52%	0.519	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-72.4	145	-175.1	55.6	-105	0	0	0	112.2	K210 L290	H208-K210 PolarHBondContact O-N 2.78Å; H208-L290 HydrophobicContact CB-CD2 3.91Å
209	P	97.4	Very high	94	Very high	4 Å²	4	68.4 Å²	68.4	3%	0.026	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-66.1	129.1	177.3	27.8	-35.7	0	0	0	111.5	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.88Å; P209-T211 HydrophobicContact CG-CG2 4.07Å; P209-T211 PolarHBondContact O-N 2.87Å; P209-A229 HydrophobicContact CB-CB 3.79Å; P209-F232 HydrophobicContact CB-CB 3.95Å; P209-F232 HydrophobicContact CB-CD1 3.9Å; P209-F232 HydrophobicContact CB-CG 4.2Å; P209-I237 HydrophobicContact CB-CD1 4.05Å; P209-I237 HydrophobicContact CG-CD1 4.14Å; P209-V285 HydrophobicContact CG-CG1 3.94Å; P209-H287 HydrophobicContact CG-CB 4.09Å; P209-L290 HydrophobicContact CG-CD1 3.82Å; P209-L290 HydrophobicContact CG-CD2 4.32Å; P209-L290 HydrophobicContact CG-CG 4.16Å
210	K	97.6	Very high	93.7	Very high	143 Å²	143	75.5 Å²	75.5	62%	0.622	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	102.3	164.8	-66.2	166	-172.5	158.5	0	107.6	H208 L230	H208-K210 PolarHBondContact O-N 2.78Å; K210-L230 WeakPolarHBondContact CB-O 3.02Å; K210-L230 PolarHBondContact N-O 2.73Å; K210-L230 PolarHBondContact O-N 3.02Å; K210-L230 VanDerWaalsContact O-N 3.17Å
211	T	97.6	Very high	93.6	Very high	33 Å²	33	78.1 Å²	78.1	20%	0.202	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	143.6	-172.2	57.5	0	0	0	0	113.6	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.88Å; P209-T211 HydrophobicContact CG-CG2 4.07Å; P209-T211 PolarHBondContact O-N 2.87Å; T211-W228 WeakPolarHBondContact CA-O 3.38Å; T211-A229 HydrophobicContact CG2-CB 4.34Å; T211-V285 HydrophobicContact CG2-CB 4.41Å; T211-V285 HydrophobicContact CG2-CG1 4.14Å; T211-V285 HydrophobicContact CG2-CG2 4.06Å; T211-L294 HydrophobicContact CG2-CD1 4.28Å; T211-L296 HydrophobicContact CG2-CD1 4.13Å
212	H	96.5	Very high	93.8	Very high	79 Å²	79	73.2 Å²	73.2	37%	0.366	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	158.5	171.2	63.7	-72.4	0	0	0	111.1	W228	H212-W228 VanDerWaalsContact CE1-CB 3.46Å; H212-W228 WeakPolarHBondContact CE1-CB 3.2Å; H212-W228 AromaticContact CE1-CD1 3.84Å; H212-W228 AromaticContact CE1-CG 3.67Å; H212-W228 PolarHBondContact N-O 3.33Å; H212-W228 AromaticContact NE2-CD1 3.51Å; H212-W228 AromaticContact NE2-CG 3.81Å; H212-W228 PolarHBondContact O-N 3.45Å
213	V	97.9	Very high	94	Very high	25 Å²	25	70.9 Å²	70.9	15%	0.152	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	128.1	175.2	-177.5	0	0	0	0	109.5	L225 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.38Å; V213-L225 HydrophobicContact CG1-CD2 4.46Å; V213-C227 HydrophobicContact CG2-CB 4.38Å; V213-W241 HydrophobicContact CG1-CH2 3.83Å; V213-W241 HydrophobicContact CG1-CZ2 4.26Å; V213-W241 HydrophobicContact CG2-CH2 4.28Å; V213-L296 HydrophobicContact CG2-CB 3.9Å; V213-W298 HydrophobicContact CB-CB 4.43Å; V213-W298 HydrophobicContact CG1-CB 3.81Å
214	T	96.5	Very high	94.3	Very high	34 Å²	34	71.8 Å²	71.8	21%	0.209	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	149	174.9	52.3	0	0	0	0	110.2	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 2.99Å; T214-L225 CarbonylContact O-C 3.55Å; T214-L225 WeakPolarHBondContact O-CA 3.3Å; T214-R226 PolarHBondContact N-O 3.17Å; T214-R226 PolarHBondContact O-N 2.92Å; T214-R226 PolarHBondContact OG1-O 2.88Å; T214-W228 PolarHBondContact OG1-NE1 3.16Å; T214-W228 VanDerWaalsContact OG1-NE1 3.08Å
215	H	95.4	Very high	94.7	Very high	53 Å²	53	67.3 Å²	67.3	25%	0.245	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127	-177.9	165.6	-85.7	0	0	0	109.5	A223 T224 L225 W298	H215-A223 VanDerWaalsContact NE2-CB 3.27Å; H215-A223 WeakPolarHBondContact NE2-CB 3.46Å; H215-T224 WeakPolarHBondContact CA-O 3.32Å; H215-L225 HydrophobicContact CB-CD2 3.94Å; H215-W298 HydrophobicContact CB-CD2 4.11Å; H215-W298 VanDerWaalsContact CB-CE2 3.46Å; H215-W298 HydrophobicContact CB-CG 4.12Å; H215-W298 HydrophobicContact CB-CZ2 3.92Å; H215-W298 AromaticContact CD2-CE2 3.83Å; H215-W298 AromaticContact CD2-CH2 3.88Å; H215-W298 AromaticContact CD2-CZ2 3.67Å; H215-W298 AromaticContact CE1-CZ2 3.99Å; H215-W298 AromaticContact CG-CE2 3.61Å; H215-W298 AromaticContact CG-CZ2 3.56Å; H215-W298 AromaticContact CG-NE1 3.84Å; H215-W298 AromaticContact ND1-CZ2 3.77Å; H215-W298 AromaticContact NE2-CH2 3.88Å; H215-W298 AromaticContact NE2-CZ2 3.96Å
216	H	94.3	Very high	95.1	Very high	82 Å²	82	66 Å²	66	38%	0.38	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	107.7	-178.4	-54.7	81.9	0	0	0	108.3	T214 V218 A223 T224	T214-H216 PolarHBondContact OG1-CE1 2.99Å; H216-V218 PolarHBondContact O-N 3.07Å; H216-A223 CarbonylContact O-C 3.54Å; H216-A223 WeakPolarHBondContact O-CA 3.38Å; H216-T224 PolarHBondContact N-O 2.98Å; H216-T224 PolarHBondContact O-N 2.85Å
217	P	93.4	Very high	95.4	Very high	99 Å²	99	64 Å²	64	64%	0.643	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.6	133.5	172.1	-20.8	31.4	0	0	0	110.5
218	V	91.4	Very high	95.6	Very high	93 Å²	93	63.2 Å²	63.2	56%	0.564	32%	0.322	S	S	*	.			trans	-107	-40.1	175.8	-178.1	0	0	0	0	110	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.07Å; V218-E222 PolarHBondContact N-O 2.73Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.2Å
219	S	92	Very high	95.7	Very high	54 Å²	54	57.9 Å²	57.9	38%	0.378	30%	0.298	S	S	.	.	S	Bend	trans	-147.7	-179.2	172.7	71.7	0	0	0	0	110.2	H221 E222	S219-H221 PolarHBondContact O-N 3.34Å; S219-H221 PolarHBondContact OG-N 3.06Å; S219-H221 VanDerWaalsContact OG-N 3.15Å; S219-E222 PolarHBondContact N-O 2.83Å; S219-E222 VanDerWaalsContact O-O 3.11Å; S219-E222 PolarHBondContact OG-N 2.89Å; S219-E222 VanDerWaalsContact OG-N 3.17Å
220	D	89.2	Confident	95.7	Very high	151 Å²	151	60.3 Å²	60.3	81%	0.807	31%	0.31	S	S	*	.	S	Bend	trans	-62.1	-20.2	171.4	-63.7	-28.9	0	0	0	112.6	S275	D220-S275 WeakPolarHBondContact O-CB 3.43Å; D220-S275 PolarHBondContact O-OG 2.86Å
221	H	92.5	Very high	95.7	Very high	148 Å²	148	54.3 Å²	54.3	69%	0.685	29%	0.289	S	S	*	.	S	Bend	trans	-105.5	-16	-175.1	-56	-41.6	0	0	0	114.3	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.34Å; S219-H221 PolarHBondContact OG-N 3.06Å; S219-H221 VanDerWaalsContact OG-N 3.15Å; H221-P274 WeakPolarHBondContact O-CA 3.26Å; H221-S275 PolarHBondContact O-N 2.75Å; H221-S275 PolarHBondContact O-OG 2.04Å
222	E	95	Very high	95.7	Very high	95 Å²	95	52.8 Å²	52.8	44%	0.444	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	142.6	-171.4	-66.1	-179.7	164.9	0	0	112.8	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.73Å; S219-E222 PolarHBondContact N-O 2.83Å; S219-E222 VanDerWaalsContact O-O 3.11Å; S219-E222 PolarHBondContact OG-N 2.89Å; S219-E222 VanDerWaalsContact OG-N 3.17Å; E222-V272 HydrophobicContact CB-CG1 4.1Å; E222-V272 HydrophobicContact CG-CG1 4.34Å; E222-V273 WeakPolarHBondContact CA-O 3.5Å; E222-S275 PolarHBondContact N-OG 3.37Å
223	A	95.3	Very high	95.6	Very high	2 Å²	2	49.1 Å²	49.1	2%	0.017	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	155.2	171.2	0	0	0	0	0	111.2	H215 H216 V273	H215-A223 VanDerWaalsContact NE2-CB 3.27Å; H215-A223 WeakPolarHBondContact NE2-CB 3.46Å; H216-A223 CarbonylContact O-C 3.54Å; H216-A223 WeakPolarHBondContact O-CA 3.38Å; A223-V273 PolarHBondContact N-O 3.33Å; A223-V273 PolarHBondContact O-N 3.42Å
224	T	97.1	Very high	95.5	Very high	22 Å²	22	48.8 Å²	48.8	14%	0.135	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	117.3	170.3	-52.3	0	0	0	0	110.1	H215 H216 V218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.32Å; H216-T224 PolarHBondContact N-O 2.98Å; H216-T224 PolarHBondContact O-N 2.85Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.2Å; T224-A270 HydrophobicContact CG2-CB 3.88Å; T224-V271 WeakPolarHBondContact CA-O 3.31Å
225	L	97.8	Very high	95.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	123.9	164.5	-62.6	-175.3	0	0	0	108.9	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.38Å; V213-L225 HydrophobicContact CG1-CD2 4.46Å; T214-L225 CarbonylContact O-C 3.55Å; T214-L225 WeakPolarHBondContact O-CA 3.3Å; H215-L225 HydrophobicContact CB-CD2 3.94Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.74Å; L225-W241 HydrophobicContact CB-CZ3 4.5Å; L225-W241 HydrophobicContact CD1-CH2 3.98Å; L225-W241 HydrophobicContact CD1-CZ3 4.16Å; L225-W241 HydrophobicContact CG-CH2 4.48Å; L225-A270 CarbonylContact O-C 3.59Å; L225-A270 WeakPolarHBondContact O-CA 3.16Å; L225-V271 HydrophobicContact CB-CG1 4.25Å; L225-V271 PolarHBondContact N-O 3.32Å; L225-V271 PolarHBondContact O-N 2.96Å; L225-V273 HydrophobicContact CD1-CG1 3.99Å; L225-V273 HydrophobicContact CD1-CG2 4.11Å; L225-V273 HydrophobicContact CG-CG1 4.11Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; L225-E278 HydrophobicContact CD1-CB 4.08Å; L225-E278 HydrophobicContact CD2-CB 4.42Å; L225-E278 HydrophobicContact CD2-CG 4.34Å; L225-W298 HydrophobicContact CD1-CB 4.41Å; L225-W298 HydrophobicContact CD2-CB 3.78Å; L225-W298 HydrophobicContact CD2-CD2 4.26Å; L225-W298 HydrophobicContact CD2-CG 3.89Å
226	R	98.1	Very high	95.5	Very high	47 Å²	47	52.1 Å²	52.1	18%	0.177	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	114.8	174.8	-179.9	-179.3	-66	111.4	4.3	110.3	T214 W228 W268 A269 A270	T214-R226 PolarHBondContact N-O 3.17Å; T214-R226 PolarHBondContact O-N 2.92Å; T214-R226 PolarHBondContact OG1-O 2.88Å; R226-W228 VanDerWaalsContact CD-CZ2 3.44Å; R226-W228 HydrophobicContact CG-CZ2 4.42Å; R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.03Å; R226-W268 HydrophobicContact CG-CE3 3.79Å; R226-W268 HydrophobicContact CG-CG 4.18Å; R226-A269 WeakPolarHBondContact CA-O 3.08Å; R226-A270 HydrophobicContact CB-CB 3.93Å; R226-A270 HydrophobicContact CG-CB 4.09Å
227	C	98.2	Very high	95.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	123.8	174.6	-174.1	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.38Å; C227-W241 HydrophobicContact CB-CH2 4.43Å; C227-W241 HydrophobicContact CB-CZ2 3.61Å; C227-W268 CarbonylContact O-C 3.54Å; C227-W268 WeakPolarHBondContact O-CA 3.49Å; C227-W268 WeakPolarHBondContact O-CB 3.28Å; C227-A269 PolarHBondContact N-O 2.92Å; C227-A269 PolarHBondContact O-N 2.98Å; C227-C283 HydrophobicContact CB-CB 3.49Å; C227-C283 VanDerWaalsContact CB-CB 3.49Å; C227-C283 WeakPolarHBondContact CB-SG 3.45Å; C227-C283 WeakPolarHBondContact SG-CB 3.38Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.14Å
228	W	98.3	Very high	95.8	Very high	52 Å²	52	46.8 Å²	46.8	20%	0.197	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	142.9	179.9	-67.4	89.4	0	0	0	110.8	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.38Å; H212-W228 VanDerWaalsContact CE1-CB 3.46Å; H212-W228 WeakPolarHBondContact CE1-CB 3.2Å; H212-W228 AromaticContact CE1-CD1 3.84Å; H212-W228 AromaticContact CE1-CG 3.67Å; H212-W228 PolarHBondContact N-O 3.33Å; H212-W228 AromaticContact NE2-CD1 3.51Å; H212-W228 AromaticContact NE2-CG 3.81Å; H212-W228 PolarHBondContact O-N 3.45Å; T214-W228 PolarHBondContact OG1-NE1 3.16Å; T214-W228 VanDerWaalsContact OG1-NE1 3.08Å; R226-W228 VanDerWaalsContact CD-CZ2 3.44Å; R226-W228 HydrophobicContact CG-CZ2 4.42Å; W228-L230 HydrophobicContact CB-CG 4.5Å; W228-L230 HydrophobicContact CE3-CD2 3.98Å; W228-W268 HydrophobicContact CD2-CB 4Å; W228-W268 HydrophobicContact CD2-CG 4.44Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.75Å; W228-W268 HydrophobicContact CE3-CG 4.09Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.74Å; W228-W268 HydrophobicContact CH2-CG 4.35Å; W228-W268 HydrophobicContact CZ3-CB 4.34Å; W228-W268 AromaticContact CZ3-CD1 3.34Å; W228-W268 HydrophobicContact CZ3-CG 4.06Å
229	A	98.4	Very high	96.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	125.9	160.8	0	0	0	0	0	108	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.79Å; T211-A229 HydrophobicContact CG2-CB 4.34Å; A229-F232 HydrophobicContact CB-CD1 4.03Å; A229-F232 HydrophobicContact CB-CE1 3.75Å; A229-F232 WeakPolarHBondContact O-CE1 3.35Å; A229-I237 HydrophobicContact CB-CD1 3.73Å; A229-L239 HydrophobicContact CB-CD1 4.01Å; A229-L239 HydrophobicContact CB-CD2 4.22Å; A229-Q266 WeakPolarHBondContact O-CA 3.4Å; A229-K267 PolarHBondContact N-O 3.13Å; A229-K267 PolarHBondContact O-N 3.06Å; A229-K267 VanDerWaalsContact O-O 3.04Å
230	L	98.1	Very high	96.3	Very high	55 Å²	55	41.9 Å²	41.9	29%	0.288	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	144.1	-175.1	-59.6	176.9	0	0	0	111.1	K210 W228 Q266	K210-L230 WeakPolarHBondContact CB-O 3.02Å; K210-L230 PolarHBondContact N-O 2.73Å; K210-L230 PolarHBondContact O-N 3.02Å; K210-L230 VanDerWaalsContact O-N 3.17Å; W228-L230 HydrophobicContact CB-CG 4.5Å; W228-L230 HydrophobicContact CE3-CD2 3.98Å; L230-Q266 HydrophobicContact CD2-CB 3.6Å
231	G	97.2	Very high	96.8	Very high	17 Å²	17	34.8 Å²	34.8	18%	0.175	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.8	37.8	168.8	0	0	0	0	0	113.8	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.41Å; G231-F265 PolarHBondContact N-O 3.36Å
232	F	97	Very high	97	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	156.9	179.6	59.4	-91.5	0	0	0	112.9	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.37Å; E207-F232 VanDerWaalsContact O-CB 3.31Å; E207-F232 WeakPolarHBondContact O-CB 3.02Å; P209-F232 HydrophobicContact CB-CB 3.95Å; P209-F232 HydrophobicContact CB-CD1 3.9Å; P209-F232 HydrophobicContact CB-CG 4.2Å; A229-F232 HydrophobicContact CB-CD1 4.03Å; A229-F232 HydrophobicContact CB-CE1 3.75Å; A229-F232 WeakPolarHBondContact O-CE1 3.35Å; F232-P234 WeakPolarHBondContact CD2-O 3.45Å; F232-I237 HydrophobicContact CD1-CD1 3.87Å; F232-I237 HydrophobicContact CD2-CB 4.33Å; F232-I237 HydrophobicContact CD2-CD1 3.93Å; F232-I237 HydrophobicContact CE1-CD1 3.76Å; F232-I237 HydrophobicContact CE1-CG2 4.48Å; F232-I237 HydrophobicContact CE2-CB 3.79Å; F232-I237 HydrophobicContact CE2-CD1 3.85Å; F232-I237 HydrophobicContact CE2-CG1 4.41Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.17Å; F232-I237 HydrophobicContact CZ-CD1 3.79Å; F232-I237 HydrophobicContact CZ-CG2 3.55Å; F232-T257 HydrophobicContact CE2-CG2 4.05Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; F232-T264 CarbonylContact O-C 3.5Å; F232-T264 WeakPolarHBondContact O-CA 3.38Å; F232-F265 WeakPolarHBondContact CD1-O 3.5Å; F232-F265 HydrophobicContact CD2-CB 3.89Å; F232-F265 HydrophobicContact CE1-CB 4.34Å; F232-F265 WeakPolarHBondContact CE1-O 3.38Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CG-CB 4.47Å; F232-F265 HydrophobicContact CZ-CB 3.69Å; F232-F265 PolarHBondContact N-O 3.31Å; F232-F265 PolarHBondContact O-N 3.08Å; F232-K267 HydrophobicContact CE1-CB 4.41Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; F232-H287 AromaticContact CD2-CD2 3.86Å; F232-H287 AromaticContact CD2-NE2 3.65Å
233	Y	95.4	Very high	97.1	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.012	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-153	136	173.9	179.4	-82.2	0	0	0	108.7	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.06Å; T55-Y233 PolarHBondContact OG1-OH 3.26Å; R205-Y233 HydrophobicContact CG-CD1 4.15Å; R205-Y233 WeakPolarHBondContact O-CD1 3.37Å; A206-Y233 CarbonylContact C-O 3.56Å; A206-Y233 WeakPolarHBondContact CA-O 2.98Å; E207-Y233 PolarHBondContact N-O 2.8Å; E207-Y233 PolarHBondContact O-N 3.01Å; E207-Y233 VanDerWaalsContact O-N 3.08Å; Y233-G263 WeakPolarHBondContact CD2-O 3.27Å; Y233-F265 HydrophobicContact CD2-CD2 4.45Å; Y233-F265 HydrophobicContact CD2-CE2 4.04Å; Y233-F265 HydrophobicContact CE2-CE2 4.46Å; Y233-H287 PolarHBondContact O-CE1 3.37Å; Y233-H287 VanDerWaalsContact O-CE1 3.26Å
234	P	94.9	Very high	97.1	Very high	18 Å²	18	33.2 Å²	33.2	12%	0.117	17%	0.17	C	C	.	.	S	Bend	cis	-70.3	179.3	1.9	30.4	-36.9	0	0	0	113.3	D54 F232 E236 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.3Å; D54-P234 WeakPolarHBondContact OD2-CB 3.31Å; F232-P234 WeakPolarHBondContact CD2-O 3.45Å; P234-E236 VanDerWaalsContact C-N 3.35Å; P234-H287 PolarHBondContact O-NE2 2.87Å; P234-E288 HydrophobicContact CG-CB 4.49Å; P234-E288 WeakPolarHBondContact CG-OE2 3.45Å
235	A	96.1	Very high	96.8	Very high	13 Å²	13	34.4 Å²	34.4	11%	0.107	19%	0.186	C	C	.	.	S	Bend	trans	-72.5	-23.9	-176.4	0	0	0	0	0	114.1	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.34Å; D54-A235 VanDerWaalsContact CG-CB 3.47Å; D54-A235 WeakPolarHBondContact OD2-CB 3.29Å; D54-A235 PolarHBondContact OD2-N 3.01Å; A235-I237 PolarHBondContact O-N 2.98Å; A235-T257 HydrophobicContact CB-CG2 4.34Å; A235-T257 WeakPolarHBondContact O-CG2 3.2Å; A235-F265 HydrophobicContact CB-CD1 3.76Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.78Å; A235-F265 HydrophobicContact CB-CE2 3.72Å; A235-F265 HydrophobicContact CB-CG 3.72Å; A235-F265 HydrophobicContact CB-CZ 3.78Å
236	E	95.4	Very high	96.7	Very high	144 Å²	144	41.3 Å²	41.3	67%	0.673	22%	0.218	S	C	*	.			trans	-65.7	117.5	179.7	-172.4	52.2	-127.6	0	0	110.4	P234 H287	P234-E236 VanDerWaalsContact C-N 3.35Å; E236-H287 PolarHBondContact O-CD2 2.86Å
237	I	96.4	Very high	96.5	Very high	9 Å²	9	43.5 Å²	43.5	5%	0.046	23%	0.234	C	C	.	.			trans	-154.7	136.3	-175.8	-163.6	171	0	0	0	110.2	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.05Å; P209-I237 HydrophobicContact CG-CD1 4.14Å; A229-I237 HydrophobicContact CB-CD1 3.73Å; F232-I237 HydrophobicContact CD1-CD1 3.87Å; F232-I237 HydrophobicContact CD2-CB 4.33Å; F232-I237 HydrophobicContact CD2-CD1 3.93Å; F232-I237 HydrophobicContact CE1-CD1 3.76Å; F232-I237 HydrophobicContact CE1-CG2 4.48Å; F232-I237 HydrophobicContact CE2-CB 3.79Å; F232-I237 HydrophobicContact CE2-CD1 3.85Å; F232-I237 HydrophobicContact CE2-CG1 4.41Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.17Å; F232-I237 HydrophobicContact CZ-CD1 3.79Å; F232-I237 HydrophobicContact CZ-CG2 3.55Å; A235-I237 PolarHBondContact O-N 2.98Å; I237-L239 HydrophobicContact CD1-CD1 3.72Å; I237-L239 HydrophobicContact CG1-CD1 3.69Å; I237-L239 HydrophobicContact CG2-CD1 4.19Å; I237-K267 HydrophobicContact CG2-CB 4.23Å; I237-K267 HydrophobicContact CG2-CD 3.55Å; I237-V285 HydrophobicContact CD1-CG1 4.06Å; I237-V285 HydrophobicContact CG1-CG1 4.37Å; I237-Q286 WeakPolarHBondContact CG1-O 3.33Å; I237-H287 HydrophobicContact CD1-CB 4.17Å; I237-H287 HydrophobicContact CG1-CB 3.99Å
238	T	97.3	Very high	96.4	Very high	59 Å²	59	44.8 Å²	44.8	36%	0.362	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	122.9	174.4	-67.3	0	0	0	0	110.1	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.01Å; T238-V285 WeakPolarHBondContact O-CA 3.48Å; T238-Q286 PolarHBondContact N-O 3.48Å; T238-Q286 PolarHBondContact O-N 3.12Å
239	L	97.8	Very high	96	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	120.9	171.4	-88.6	62.7	0	0	0	108	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.01Å; A229-L239 HydrophobicContact CB-CD2 4.22Å; I237-L239 HydrophobicContact CD1-CD1 3.72Å; I237-L239 HydrophobicContact CG1-CD1 3.69Å; I237-L239 HydrophobicContact CG2-CD1 4.19Å; L239-L254 HydrophobicContact CB-CD1 4.13Å; L239-K267 HydrophobicContact CD1-CD 4.33Å; L239-K267 HydrophobicContact CD2-CB 4.38Å; L239-K267 HydrophobicContact CD2-CG 4.46Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.29Å; L239-H284 WeakPolarHBondContact CA-O 3.47Å; L239-V285 HydrophobicContact CD1-CG1 4.03Å; L239-V285 HydrophobicContact CD1-CG2 4.46Å; L239-V285 HydrophobicContact CG-CG2 4.28Å
240	T	97.4	Very high	95.6	Very high	39 Å²	39	56.5 Å²	56.5	24%	0.239	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	148	174.1	58.9	0	0	0	0	111.5	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.01Å; T240-C283 CarbonylContact O-C 3.56Å; T240-C283 WeakPolarHBondContact O-CA 3.26Å; T240-H284 PolarHBondContact N-O 3.19Å; T240-H284 PolarHBondContact O-N 2.86Å
241	W	98.1	Very high	95.1	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.008	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	137.2	167.4	-82.7	107	0	0	0	109.9	V213 L225 C227 Q248 A269 V271 C283	V213-W241 HydrophobicContact CG1-CH2 3.83Å; V213-W241 HydrophobicContact CG1-CZ2 4.26Å; V213-W241 HydrophobicContact CG2-CH2 4.28Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.74Å; L225-W241 HydrophobicContact CB-CZ3 4.5Å; L225-W241 HydrophobicContact CD1-CH2 3.98Å; L225-W241 HydrophobicContact CD1-CZ3 4.16Å; L225-W241 HydrophobicContact CG-CH2 4.48Å; C227-W241 HydrophobicContact CB-CH2 4.43Å; C227-W241 HydrophobicContact CB-CZ2 3.61Å; W241-Q248 HydrophobicContact CB-CB 4.3Å; W241-Q248 PolarHBondContact O-N 2.89Å; W241-A269 PolarHBondContact NE1-O 3.28Å; W241-V271 HydrophobicContact CB-CB 4.49Å; W241-V271 HydrophobicContact CB-CG1 4.3Å; W241-V271 HydrophobicContact CD2-CB 4.47Å; W241-V271 HydrophobicContact CD2-CG1 3.56Å; W241-V271 HydrophobicContact CE3-CG1 4.02Å; W241-V271 HydrophobicContact CG-CB 4.11Å; W241-V271 HydrophobicContact CG-CG1 3.69Å; W241-V271 HydrophobicContact CZ2-CG1 4.28Å; W241-C283 HydrophobicContact CD2-CB 4.09Å; W241-C283 HydrophobicContact CE3-CB 4Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 3.93Å
242	Q	97.7	Very high	95	Very high	37 Å²	37	59.6 Å²	59.6	17%	0.173	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	146.7	171.1	-73.9	-177.9	-6.7	0	0	110.5	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.56Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.46Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.4Å; Q242-D247 PolarHBondContact NE2-OD1 3.39Å; Q242-Y281 CarbonylContact O-C 3.54Å; Q242-Y281 VanDerWaalsContact O-CA 3.28Å; Q242-Y281 WeakPolarHBondContact O-CA 3.39Å; Q242-T282 PolarHBondContact N-O 3.25Å; Q242-T282 PolarHBondContact O-N 3.04Å; Q242-H284 WeakPolarHBondContact CB-NE2 3.45Å; Q242-H284 WeakPolarHBondContact CG-NE2 3.2Å; Q242-H284 PolarHBondContact OE1-NE2 2.73Å
243	R	97.1	Very high	94.9	Very high	71 Å²	71	65 Å²	65	27%	0.268	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	117.2	168.9	-174.3	-171.8	-172.4	178.7	2.1	108.1	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 2.94Å; R243-E246 PolarHBondContact N-O 3.06Å; R243-E246 PolarHBondContact O-N 2.83Å; R243-Q248 HydrophobicContact CB-CG 3.95Å; R243-E277 IonicContact CZ-OE2 3.56Å; R243-E277 IonicContact NE-OE2 3.65Å; R243-E277 IonicContact NH2-OE1 3.52Å; R243-E277 IonicContact NH2-OE2 2.69Å; R243-E277 PolarHBondContact NH2-OE2 2.65Å; R243-R280 WeakPolarHBondContact CA-O 3.41Å; R243-R280 HydrophobicContact CG-CB 4.33Å; R243-Y281 HydrophobicContact CB-CD1 4.07Å; R243-Y281 HydrophobicContact CB-CE1 3.86Å; R243-Y281 WeakPolarHBondContact CD-OH 3.45Å; R243-Y281 HydrophobicContact CG-CD1 4.37Å; R243-Y281 HydrophobicContact CG-CD2 4.49Å; R243-Y281 HydrophobicContact CG-CE1 3.98Å; R243-Y281 HydrophobicContact CG-CE2 4.09Å; R243-Y281 PolarHBondContact NE-OH 3.29Å
244	D	94.6	Very high	95	Very high	103 Å²	103	69 Å²	69	55%	0.551	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	22	-175.2	-53.2	-53.3	0	0	0	115.3	R280	D244-R280 PolarHBondContact N-O 3.36Å; D244-R280 WeakPolarHBondContact OD1-CB 3.41Å; D244-R280 IonicContact OD1-NE 3.5Å; D244-R280 IonicContact OD2-CZ 3.11Å; D244-R280 IonicContact OD2-NE 2.77Å; D244-R280 PolarHBondContact OD2-NE 2.85Å; D244-R280 IonicContact OD2-NH2 2.65Å; D244-R280 PolarHBondContact OD2-NH2 2.9Å
245	G	91.3	Very high	95.1	Very high	47 Å²	47	69.9 Å²	69.9	49%	0.485	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.1	-4.2	-176.9	0	0	0	0	0	115.6	R243	R243-G245 PolarHBondContact O-N 2.94Å
246	E	95.6	Very high	95.1	Very high	145 Å²	145	77.6 Å²	77.6	68%	0.678	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	126.1	176.8	-61.9	-173.6	166.2	0	0	111.6	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.56Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.46Å; R243-E246 PolarHBondContact N-O 3.06Å; R243-E246 PolarHBondContact O-N 2.83Å; E246-Q248 PolarHBondContact O-N 2.81Å; E246-Q248 PolarHBondContact O-NE2 3.25Å
247	D	95.3	Very high	95.2	Very high	94 Å²	94	72.9 Å²	72.9	50%	0.503	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	130.6	-179.3	-69.4	-34.5	0	0	0	112.4	Q242 T249	Q242-D247 WeakPolarHBondContact CG-OD1 3.4Å; Q242-D247 PolarHBondContact NE2-OD1 3.39Å; D247-T249 PolarHBondContact O-N 3.21Å
248	Q	95.2	Very high	95.2	Very high	26 Å²	26	77.3 Å²	77.3	12%	0.121	40%	0.4	C	S	.	.			trans	-100.3	38.4	-176.1	-55.4	-62.4	-81.9	0	0	112.1	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.3Å; W241-Q248 PolarHBondContact O-N 2.89Å; R243-Q248 HydrophobicContact CB-CG 3.95Å; E246-Q248 PolarHBondContact O-N 2.81Å; E246-Q248 PolarHBondContact O-NE2 3.25Å; Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 2.65Å; Q248-D251 PolarHBondContact O-N 3.49Å; Q248-T252 WeakPolarHBondContact O-CB 3.41Å; Q248-T252 PolarHBondContact O-N 2.81Å; Q248-T252 VanDerWaalsContact O-N 3.11Å; Q248-T252 PolarHBondContact O-OG1 3.06Å; Q248-Y281 HydrophobicContact CG-CE1 4.37Å
249	T	89.6	Confident	95.2	Very high	107 Å²	107	78.9 Å²	78.9	66%	0.656	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-31.9	-167	-48	0	0	0	0	114.3	D247	D247-T249 PolarHBondContact O-N 3.21Å
250	Q	89.5	Confident	95.1	Very high	191 Å²	191	81 Å²	81	89%	0.893	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-32.5	179.8	-64.3	-173.3	8.7	0	0	112.7	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 2.65Å; Q250-T252 VanDerWaalsContact C-N 3.35Å
251	D	87.5	Confident	94.9	Very high	114 Å²	114	82.7 Å²	82.7	61%	0.61	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	3.4	-178.1	-52	-67.6	0	0	0	112.7	Q248	Q248-D251 PolarHBondContact O-N 3.49Å
252	T	94.9	Very high	94.6	Very high	24 Å²	24	88 Å²	88	15%	0.147	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	117.8	179.6	-63.9	0	0	0	0	111.5	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.41Å; Q248-T252 PolarHBondContact O-N 2.81Å; Q248-T252 VanDerWaalsContact O-N 3.11Å; Q248-T252 PolarHBondContact O-OG1 3.06Å; Q250-T252 VanDerWaalsContact C-N 3.35Å; T252-L254 HydrophobicContact CG2-CB 4.35Å; T252-L254 PolarHBondContact O-N 2.91Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; T252-A270 CarbonylContact C-O 3.48Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.46Å
253	E	96.6	Very high	94.3	Very high	112 Å²	112	88.2 Å²	88.2	52%	0.523	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	102.2	163.2	-174.6	-172	-162.1	0	0	109	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.3Å; E253-W268 HydrophobicContact CG-CH2 3.99Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 VanDerWaalsContact OE2-CH2 3.27Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.31Å; E253-W268 VanDerWaalsContact OE2-CZ3 3.31Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.32Å; E253-A269 CarbonylContact O-C 3.57Å; E253-A269 WeakPolarHBondContact O-CA 3.49Å; E253-A270 HydrophobicContact CB-CB 4.37Å; E253-A270 PolarHBondContact N-O 3.11Å; E253-A270 PolarHBondContact O-N 2.99Å
254	L	96.7	Very high	94.2	Very high	89 Å²	89	85.2 Å²	85.2	47%	0.466	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.4	177.5	-174.7	69.3	0	0	0	110.3	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.13Å; T252-L254 HydrophobicContact CG2-CB 4.35Å; T252-L254 PolarHBondContact O-N 2.91Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; L254-A269 HydrophobicContact CD1-CB 3.71Å
255	V	96.5	Very high	94.4	Very high	36 Å²	36	81.7 Å²	81.7	22%	0.218	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-83	153.4	175.4	-64.1	0	0	0	0	112.5	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 WeakPolarHBondContact O-CE 3.38Å; V255-K267 WeakPolarHBondContact O-CG 3.48Å; V255-K267 PolarHBondContact O-NZ 3.36Å; V255-W268 HydrophobicContact CG1-CD2 4.04Å; V255-W268 VanDerWaalsContact CG1-CE2 3.49Å; V255-W268 HydrophobicContact CG1-CE3 4.32Å; V255-W268 HydrophobicContact CG1-CH2 3.7Å; V255-W268 HydrophobicContact CG1-CZ2 3.34Å; V255-W268 HydrophobicContact CG1-CZ3 4.15Å; V255-W268 HydrophobicContact CG2-CD2 3.82Å; V255-W268 HydrophobicContact CG2-CG 3.79Å; V255-W268 HydrophobicContact CG2-CZ2 4.49Å; V255-W268 WeakPolarHBondContact CG2-O 3.29Å; V255-W268 PolarHBondContact N-O 3.4Å
256	E	96.6	Very high	94.7	Very high	175 Å²	175	81.4 Å²	81.4	82%	0.818	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-55.3	148.2	166.3	-67.2	-175.5	169.4	0	0	111.3	R258	E256-R258 PolarHBondContact O-N 2.82Å
257	T	97.6	Very high	94.9	Very high	45 Å²	45	75.6 Å²	75.6	28%	0.276	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-70.9	126.9	175.2	-55.4	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.05Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; A235-T257 HydrophobicContact CB-CG2 4.34Å; A235-T257 WeakPolarHBondContact O-CG2 3.2Å; T257-F265 HydrophobicContact CG2-CB 3.84Å; T257-F265 HydrophobicContact CG2-CD1 4.01Å; T257-F265 HydrophobicContact CG2-CG 4.2Å; T257-K267 WeakPolarHBondContact OG1-CD 3.29Å; T257-K267 PolarHBondContact OG1-NZ 3.35Å
258	R	97.1	Very high	95	Very high	102 Å²	102	72.3 Å²	72.3	39%	0.385	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.1	-174.5	70.8	-165.7	-177.1	-173.4	3.4	111.3	E256 Q266	E256-R258 PolarHBondContact O-N 2.82Å; R258-Q266 HydrophobicContact CG-CG 3.67Å; R258-Q266 PolarHBondContact N-O 3Å; R258-Q266 VanDerWaalsContact O-CG 3.3Å; R258-Q266 WeakPolarHBondContact O-CG 3.21Å; R258-Q266 PolarHBondContact O-N 2.76Å
259	P	97	Very high	95.2	Very high	91 Å²	91	71 Å²	71	59%	0.591	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	150.5	176.8	28	-34.7	0	0	0	111.4	F265 Q266	P259-F265 HydrophobicContact CB-CD1 4.44Å; P259-F265 HydrophobicContact CB-CE1 4.19Å; P259-Q266 PolarHBondContact O-NE2 2.73Å
260	A	96.2	Very high	95.5	Very high	50 Å²	50	66 Å²	66	41%	0.413	37%	0.368	S	S	.	.			trans	-91.4	-18.8	171	0	0	0	0	0	112.9	T264 Q266	A260-T264 WeakPolarHBondContact CB-O 3.47Å; A260-T264 PolarHBondContact N-O 2.75Å; A260-Q266 HydrophobicContact CB-CG 4.43Å
261	G	92.6	Very high	95.9	Very high	76 Å²	76	57.1 Å²	57.1	78%	0.784	33%	0.326	S	S	*	.	S	Bend	trans	97.4	-8.8	178.7	0	0	0	0	0	115
262	D	92.1	Very high	96.4	Very high	114 Å²	114	55.3 Å²	55.3	61%	0.61	32%	0.319	S	S	*	.	S	Bend	trans	-99.8	7.4	175.1	59.9	2.6	0	0	0	113.4	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.47Å; D262-T264 PolarHBondContact OD1-N 3.08Å; D262-T264 PolarHBondContact OD1-OG1 3.02Å; D262-T264 PolarHBondContact OD2-OG1 3.09Å
263	G	90.8	Very high	96.5	Very high	40 Å²	40	54.2 Å²	54.2	41%	0.412	31%	0.312	S	S	.	.	S	Bend	trans	90.5	2.5	-172.4	0	0	0	0	0	114.4	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.27Å
264	T	96.1	Very high	96.4	Very high	9 Å²	9	51.1 Å²	51.1	6%	0.055	30%	0.302	C	S	.	.			trans	-106.5	172.4	172	74.4	0	0	0	0	112.3	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.41Å; F232-T264 CarbonylContact O-C 3.5Å; F232-T264 WeakPolarHBondContact O-CA 3.38Å; A260-T264 WeakPolarHBondContact CB-O 3.47Å; A260-T264 PolarHBondContact N-O 2.75Å; D262-T264 WeakPolarHBondContact OD1-CB 3.47Å; D262-T264 PolarHBondContact OD1-N 3.08Å; D262-T264 PolarHBondContact OD1-OG1 3.02Å; D262-T264 PolarHBondContact OD2-OG1 3.09Å
265	F	97.9	Very high	96.2	Very high	28 Å²	28	49.7 Å²	49.7	12%	0.123	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	163.7	-177.2	-65.3	-84.2	0	0	0	112.7	D54 G231 F232 Y233 A235 T257 P259	D54-F265 HydrophobicContact CB-CE2 3.74Å; D54-F265 HydrophobicContact CB-CZ 3.72Å; G231-F265 PolarHBondContact N-O 3.36Å; F232-F265 WeakPolarHBondContact CD1-O 3.5Å; F232-F265 HydrophobicContact CD2-CB 3.89Å; F232-F265 HydrophobicContact CE1-CB 4.34Å; F232-F265 WeakPolarHBondContact CE1-O 3.38Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CG-CB 4.47Å; F232-F265 HydrophobicContact CZ-CB 3.69Å; F232-F265 PolarHBondContact N-O 3.31Å; F232-F265 PolarHBondContact O-N 3.08Å; Y233-F265 HydrophobicContact CD2-CD2 4.45Å; Y233-F265 HydrophobicContact CD2-CE2 4.04Å; Y233-F265 HydrophobicContact CE2-CE2 4.46Å; A235-F265 HydrophobicContact CB-CD1 3.76Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.78Å; A235-F265 HydrophobicContact CB-CE2 3.72Å; A235-F265 HydrophobicContact CB-CG 3.72Å; A235-F265 HydrophobicContact CB-CZ 3.78Å; T257-F265 HydrophobicContact CG2-CB 3.84Å; T257-F265 HydrophobicContact CG2-CD1 4.01Å; T257-F265 HydrophobicContact CG2-CG 4.2Å; P259-F265 HydrophobicContact CB-CD1 4.44Å; P259-F265 HydrophobicContact CB-CE1 4.19Å
266	Q	98.1	Very high	95.9	Very high	42 Å²	42	51 Å²	51	20%	0.196	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	143.6	176.7	38.4	162.8	-22.2	0	0	110	A229 L230 R258 P259 A260	A229-Q266 WeakPolarHBondContact O-CA 3.4Å; L230-Q266 HydrophobicContact CD2-CB 3.6Å; R258-Q266 HydrophobicContact CG-CG 3.67Å; R258-Q266 PolarHBondContact N-O 3Å; R258-Q266 VanDerWaalsContact O-CG 3.3Å; R258-Q266 WeakPolarHBondContact O-CG 3.21Å; R258-Q266 PolarHBondContact O-N 2.76Å; P259-Q266 PolarHBondContact O-NE2 2.73Å; A260-Q266 HydrophobicContact CB-CG 4.43Å
267	K	98.5	Very high	95.8	Very high	22 Å²	22	45.1 Å²	45.1	10%	0.096	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	157.1	177.3	-161	-175.4	-169.7	66.2	0	109	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.13Å; A229-K267 PolarHBondContact O-N 3.06Å; A229-K267 VanDerWaalsContact O-O 3.04Å; F232-K267 HydrophobicContact CE1-CB 4.41Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; I237-K267 HydrophobicContact CG2-CB 4.23Å; I237-K267 HydrophobicContact CG2-CD 3.55Å; L239-K267 HydrophobicContact CD1-CD 4.33Å; L239-K267 HydrophobicContact CD2-CB 4.38Å; L239-K267 HydrophobicContact CD2-CG 4.46Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 WeakPolarHBondContact O-CE 3.38Å; V255-K267 WeakPolarHBondContact O-CG 3.48Å; V255-K267 PolarHBondContact O-NZ 3.36Å; T257-K267 WeakPolarHBondContact OG1-CD 3.29Å; T257-K267 PolarHBondContact OG1-NZ 3.35Å
268	W	98.2	Very high	95.6	Very high	25 Å²	25	43.9 Å²	43.9	10%	0.095	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	157.1	168.3	57.3	-96.7	0	0	0	111.6	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.03Å; R226-W268 HydrophobicContact CG-CE3 3.79Å; R226-W268 HydrophobicContact CG-CG 4.18Å; C227-W268 CarbonylContact O-C 3.54Å; C227-W268 WeakPolarHBondContact O-CA 3.49Å; C227-W268 WeakPolarHBondContact O-CB 3.28Å; W228-W268 HydrophobicContact CD2-CB 4Å; W228-W268 HydrophobicContact CD2-CG 4.44Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.75Å; W228-W268 HydrophobicContact CE3-CG 4.09Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.74Å; W228-W268 HydrophobicContact CH2-CG 4.35Å; W228-W268 HydrophobicContact CZ3-CB 4.34Å; W228-W268 AromaticContact CZ3-CD1 3.34Å; W228-W268 HydrophobicContact CZ3-CG 4.06Å; E253-W268 HydrophobicContact CB-CZ3 4.3Å; E253-W268 HydrophobicContact CG-CH2 3.99Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 VanDerWaalsContact OE2-CH2 3.27Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.31Å; E253-W268 VanDerWaalsContact OE2-CZ3 3.31Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.32Å; V255-W268 HydrophobicContact CG1-CD2 4.04Å; V255-W268 VanDerWaalsContact CG1-CE2 3.49Å; V255-W268 HydrophobicContact CG1-CE3 4.32Å; V255-W268 HydrophobicContact CG1-CH2 3.7Å; V255-W268 HydrophobicContact CG1-CZ2 3.34Å; V255-W268 HydrophobicContact CG1-CZ3 4.15Å; V255-W268 HydrophobicContact CG2-CD2 3.82Å; V255-W268 HydrophobicContact CG2-CG 3.79Å; V255-W268 HydrophobicContact CG2-CZ2 4.49Å; V255-W268 WeakPolarHBondContact CG2-O 3.29Å; V255-W268 PolarHBondContact N-O 3.4Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.64Å
269	A	98.3	Very high	95.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	130.4	173.2	0	0	0	0	0	108.2	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.08Å; C227-A269 PolarHBondContact N-O 2.92Å; C227-A269 PolarHBondContact O-N 2.98Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.29Å; W241-A269 PolarHBondContact NE1-O 3.28Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; E253-A269 CarbonylContact O-C 3.57Å; E253-A269 WeakPolarHBondContact O-CA 3.49Å; L254-A269 HydrophobicContact CD1-CB 3.71Å
270	A	97.8	Very high	95.4	Very high	2 Å²	2	44 Å²	44	2%	0.017	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	145.5	178.1	0	0	0	0	0	112	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.88Å; L225-A270 CarbonylContact O-C 3.59Å; L225-A270 WeakPolarHBondContact O-CA 3.16Å; R226-A270 HydrophobicContact CB-CB 3.93Å; R226-A270 HydrophobicContact CG-CB 4.09Å; T252-A270 CarbonylContact C-O 3.48Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.46Å; E253-A270 HydrophobicContact CB-CB 4.37Å; E253-A270 PolarHBondContact N-O 3.11Å; E253-A270 PolarHBondContact O-N 2.99Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.64Å
271	V	97.6	Very high	95.5	Very high	3 Å²	3	42 Å²	42	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	141.4	176.7	62.6	0	0	0	0	108.9	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.31Å; L225-V271 HydrophobicContact CB-CG1 4.25Å; L225-V271 PolarHBondContact N-O 3.32Å; L225-V271 PolarHBondContact O-N 2.96Å; W241-V271 HydrophobicContact CB-CB 4.49Å; W241-V271 HydrophobicContact CB-CG1 4.3Å; W241-V271 HydrophobicContact CD2-CB 4.47Å; W241-V271 HydrophobicContact CD2-CG1 3.56Å; W241-V271 HydrophobicContact CE3-CG1 4.02Å; W241-V271 HydrophobicContact CG-CB 4.11Å; W241-V271 HydrophobicContact CG-CG1 3.69Å; W241-V271 HydrophobicContact CZ2-CG1 4.28Å; V271-V273 HydrophobicContact CG1-CG1 3.85Å; V271-V273 HydrophobicContact CG2-CG1 4.45Å; V271-Y281 HydrophobicContact CG1-CD1 4.13Å; V271-Y281 HydrophobicContact CG2-CD1 4.48Å; V271-Y281 HydrophobicContact CG2-CE1 4.15Å
272	V	97.1	Very high	95.7	Very high	76 Å²	76	38.8 Å²	38.8	46%	0.461	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	129.9	171.8	-177.7	0	0	0	0	108.2	E222	E222-V272 HydrophobicContact CB-CG1 4.1Å; E222-V272 HydrophobicContact CG-CG1 4.34Å
273	V	96.2	Very high	96	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	145.9	-175.6	-51.3	0	0	0	0	110.6	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.5Å; A223-V273 PolarHBondContact N-O 3.33Å; A223-V273 PolarHBondContact O-N 3.42Å; L225-V273 HydrophobicContact CD1-CG1 3.99Å; L225-V273 HydrophobicContact CD1-CG2 4.11Å; L225-V273 HydrophobicContact CG-CG1 4.11Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; V271-V273 HydrophobicContact CG1-CG1 3.85Å; V271-V273 HydrophobicContact CG2-CG1 4.45Å; V273-E278 HydrophobicContact CG2-CG 3.87Å; V273-Y281 HydrophobicContact CB-CD2 4Å; V273-Y281 HydrophobicContact CB-CE2 3.68Å; V273-Y281 HydrophobicContact CG1-CD1 3.74Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.67Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å
274	P	95.8	Very high	96.3	Very high	48 Å²	48	33.9 Å²	33.9	31%	0.312	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	140.2	170.8	-20.1	32.4	0	0	0	111.6	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.26Å; P274-G276 PolarHBondContact O-N 2.84Å; P274-E277 HydrophobicContact CB-CB 4.27Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 HydrophobicContact CG-CG 4.47Å; P274-E277 WeakPolarHBondContact O-CB 3.2Å; P274-E277 PolarHBondContact O-N 3.34Å
275	S	91.6	Very high	96.4	Very high	58 Å²	58	33.5 Å²	33.5	41%	0.406	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	125.8	174.7	-63.1	0	0	0	0	111.3	D220 H221 E222	D220-S275 WeakPolarHBondContact O-CB 3.43Å; D220-S275 PolarHBondContact O-OG 2.86Å; H221-S275 PolarHBondContact O-N 2.75Å; H221-S275 PolarHBondContact O-OG 2.04Å; E222-S275 PolarHBondContact N-OG 3.37Å
276	G	90.5	Very high	96.3	Very high	63 Å²	63	37 Å²	37	65%	0.649	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.7	-5.4	-177.8	0	0	0	0	0	115.2	P274 E278	P274-G276 PolarHBondContact O-N 2.84Å; G276-E278 WeakPolarHBondContact CA-OE2 3.49Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.14Å; G276-E278 PolarHBondContact N-OE2 2.98Å
277	E	94.4	Very high	96.2	Very high	53 Å²	53	35.3 Å²	35.3	25%	0.248	19%	0.193	C	C	.	.			trans	-97	0.5	175.3	-70.6	-155.6	-147.4	0	0	114	R243 P274 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.56Å; R243-E277 IonicContact NE-OE2 3.65Å; R243-E277 IonicContact NH2-OE1 3.52Å; R243-E277 IonicContact NH2-OE2 2.69Å; R243-E277 PolarHBondContact NH2-OE2 2.65Å; P274-E277 HydrophobicContact CB-CB 4.27Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 HydrophobicContact CG-CG 4.47Å; P274-E277 WeakPolarHBondContact O-CB 3.2Å; P274-E277 PolarHBondContact O-N 3.34Å; E277-Q279 PolarHBondContact O-N 3.13Å; E277-R280 VanDerWaalsContact O-CB 3.31Å; E277-R280 WeakPolarHBondContact O-CB 3.39Å; E277-R280 PolarHBondContact O-N 2.83Å; E277-R280 IonicContact OE1-NH1 3.72Å; E277-R280 VanDerWaalsContact OE2-CD 3.3Å; E277-R280 WeakPolarHBondContact OE2-CD 3.19Å; E277-R280 IonicContact OE2-CZ 3.38Å; E277-R280 IonicContact OE2-NE 3.59Å; E277-R280 IonicContact OE2-NH1 2.66Å; E277-R280 PolarHBondContact OE2-NH1 2.82Å; E277-Y281 HydrophobicContact CB-CE2 4.34Å; E277-Y281 WeakPolarHBondContact O-CD2 3.41Å
278	E	94.1	Very high	95.9	Very high	19 Å²	19	37.7 Å²	37.7	9%	0.089	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-58.4	-28.9	-168.6	-51.9	83.3	-179.4	0	0	113.2	L225 V273 G276 R280 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.08Å; L225-E278 HydrophobicContact CD2-CB 4.42Å; L225-E278 HydrophobicContact CD2-CG 4.34Å; V273-E278 HydrophobicContact CG2-CG 3.87Å; G276-E278 WeakPolarHBondContact CA-OE2 3.49Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.14Å; G276-E278 PolarHBondContact N-OE2 2.98Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.32Å; E278-Y281 PolarHBondContact O-N 3.27Å; E278-W298 HydrophobicContact CB-CD2 4.36Å; E278-W298 HydrophobicContact CB-CE3 3.34Å; E278-W298 HydrophobicContact CB-CZ3 3.66Å; E278-W298 HydrophobicContact CG-CE3 3.65Å; E278-W298 HydrophobicContact CG-CH2 4.43Å; E278-W298 HydrophobicContact CG-CZ3 3.54Å
279	Q	94.4	Very high	95.5	Very high	95 Å²	95	37.4 Å²	37.4	44%	0.444	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-71.7	-15.6	178.3	-62.7	-54.8	-46.2	0	0	114.5	E277 Y281 R297 W298	E277-Q279 PolarHBondContact O-N 3.13Å; Q279-Y281 VanDerWaalsContact C-N 3.29Å; Q279-R297 PolarHBondContact O-NH1 2.9Å; Q279-W298 PolarHBondContact NE2-O 3.23Å
280	R	95.6	Very high	95.3	Very high	100 Å²	100	38 Å²	38	38%	0.377	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-77.2	-18.6	172.4	-61.3	174.1	69.3	174.4	5.7	112	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.41Å; R243-R280 HydrophobicContact CG-CB 4.33Å; D244-R280 PolarHBondContact N-O 3.36Å; D244-R280 WeakPolarHBondContact OD1-CB 3.41Å; D244-R280 IonicContact OD1-NE 3.5Å; D244-R280 IonicContact OD2-CZ 3.11Å; D244-R280 IonicContact OD2-NE 2.77Å; D244-R280 PolarHBondContact OD2-NE 2.85Å; D244-R280 IonicContact OD2-NH2 2.65Å; D244-R280 PolarHBondContact OD2-NH2 2.9Å; E277-R280 VanDerWaalsContact O-CB 3.31Å; E277-R280 WeakPolarHBondContact O-CB 3.39Å; E277-R280 PolarHBondContact O-N 2.83Å; E277-R280 IonicContact OE1-NH1 3.72Å; E277-R280 VanDerWaalsContact OE2-CD 3.3Å; E277-R280 WeakPolarHBondContact OE2-CD 3.19Å; E277-R280 IonicContact OE2-CZ 3.38Å; E277-R280 IonicContact OE2-NE 3.59Å; E277-R280 IonicContact OE2-NH1 2.66Å; E277-R280 PolarHBondContact OE2-NH1 2.82Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.32Å
281	Y	96.9	Very high	95	Very high	7 Å²	7	44.1 Å²	44.1	3%	0.027	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	128.9	-176.2	-67.9	-97.8	0	0	0	111.6	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.54Å; Q242-Y281 VanDerWaalsContact O-CA 3.28Å; Q242-Y281 WeakPolarHBondContact O-CA 3.39Å; R243-Y281 HydrophobicContact CB-CD1 4.07Å; R243-Y281 HydrophobicContact CB-CE1 3.86Å; R243-Y281 WeakPolarHBondContact CD-OH 3.45Å; R243-Y281 HydrophobicContact CG-CD1 4.37Å; R243-Y281 HydrophobicContact CG-CD2 4.49Å; R243-Y281 HydrophobicContact CG-CE1 3.98Å; R243-Y281 HydrophobicContact CG-CE2 4.09Å; R243-Y281 PolarHBondContact NE-OH 3.29Å; Q248-Y281 HydrophobicContact CG-CE1 4.37Å; V271-Y281 HydrophobicContact CG1-CD1 4.13Å; V271-Y281 HydrophobicContact CG2-CD1 4.48Å; V271-Y281 HydrophobicContact CG2-CE1 4.15Å; V273-Y281 HydrophobicContact CB-CD2 4Å; V273-Y281 HydrophobicContact CB-CE2 3.68Å; V273-Y281 HydrophobicContact CG1-CD1 3.74Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.67Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å; E277-Y281 HydrophobicContact CB-CE2 4.34Å; E277-Y281 WeakPolarHBondContact O-CD2 3.41Å; E278-Y281 PolarHBondContact O-N 3.27Å; Q279-Y281 VanDerWaalsContact C-N 3.29Å
282	T	97.6	Very high	94.8	Very high	9 Å²	9	51.2 Å²	51.2	6%	0.055	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.7	175.2	41.2	0	0	0	0	110.7	Q242 H284 T295 L296 R297	Q242-T282 PolarHBondContact N-O 3.25Å; Q242-T282 PolarHBondContact O-N 3.04Å; T282-H284 PolarHBondContact OG1-NE2 2.98Å; T282-T295 HydrophobicContact CG2-CG2 3.69Å; T282-L296 CarbonylContact C-O 3.54Å; T282-L296 VanDerWaalsContact CA-O 3.32Å; T282-L296 WeakPolarHBondContact CA-O 3.49Å; T282-R297 HydrophobicContact CG2-CG 3.61Å; T282-R297 VanDerWaalsContact CG2-NE 3.26Å
283	C	97.9	Very high	94.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	129.1	166.9	173.4	0	0	0	0	109.3	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.49Å; C227-C283 VanDerWaalsContact CB-CB 3.49Å; C227-C283 WeakPolarHBondContact CB-SG 3.45Å; C227-C283 WeakPolarHBondContact SG-CB 3.38Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.14Å; T240-C283 CarbonylContact O-C 3.56Å; T240-C283 WeakPolarHBondContact O-CA 3.26Å; W241-C283 HydrophobicContact CD2-CB 4.09Å; W241-C283 HydrophobicContact CE3-CB 4Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 3.93Å; C283-T295 CarbonylContact O-C 3.5Å; C283-T295 WeakPolarHBondContact O-CA 3.48Å; C283-L296 HydrophobicContact CB-CB 4.28Å; C283-L296 PolarHBondContact N-O 3.24Å; C283-L296 PolarHBondContact O-N 2.82Å
284	H	97.5	Very high	94.6	Very high	52 Å²	52	53.6 Å²	53.6	24%	0.241	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.1	174.9	-63.1	-95.1	0	0	0	109.9	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.47Å; T240-H284 PolarHBondContact N-O 3.19Å; T240-H284 PolarHBondContact O-N 2.86Å; Q242-H284 WeakPolarHBondContact CB-NE2 3.45Å; Q242-H284 WeakPolarHBondContact CG-NE2 3.2Å; Q242-H284 PolarHBondContact OE1-NE2 2.73Å; T282-H284 PolarHBondContact OG1-NE2 2.98Å; H284-L294 CarbonylContact C-O 3.59Å; H284-L294 WeakPolarHBondContact CA-O 3.22Å; H284-T295 VanDerWaalsContact CE1-CG2 3.47Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.3Å; H284-T295 PolarHBondContact CE1-OG1 3Å; H284-T295 PolarHBondContact ND1-OG1 3.05Å
285	V	97.8	Very high	94.7	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120	-177.4	-174.9	0	0	0	0	109.4	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.94Å; T211-V285 HydrophobicContact CG2-CB 4.41Å; T211-V285 HydrophobicContact CG2-CG1 4.14Å; T211-V285 HydrophobicContact CG2-CG2 4.06Å; I237-V285 HydrophobicContact CD1-CG1 4.06Å; I237-V285 HydrophobicContact CG1-CG1 4.37Å; T238-V285 WeakPolarHBondContact O-CA 3.48Å; L239-V285 HydrophobicContact CD1-CG1 4.03Å; L239-V285 HydrophobicContact CD1-CG2 4.46Å; L239-V285 HydrophobicContact CG-CG2 4.28Å; V285-L290 HydrophobicContact CG1-CD1 4.15Å; V285-P293 WeakPolarHBondContact O-CA 3.31Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 3.14Å; V285-L294 PolarHBondContact O-N 3.05Å; V285-L296 HydrophobicContact CG2-CD1 3.89Å
286	Q	96.9	Very high	94.9	Very high	102 Å²	102	53.9 Å²	53.9	48%	0.477	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.3	174.5	-55.4	-179.6	13.1	0	0	109	I237 T238 P293	I237-Q286 WeakPolarHBondContact CG1-O 3.33Å; T238-Q286 PolarHBondContact N-O 3.48Å; T238-Q286 PolarHBondContact O-N 3.12Å; Q286-P293 HydrophobicContact CG-CB 4.04Å; Q286-P293 HydrophobicContact CG-CG 4.14Å
287	H	95.4	Very high	95.1	Very high	6 Å²	6	57.9 Å²	57.9	3%	0.028	29%	0.29	C	S	.	.			trans	-158.9	144.1	-176.3	-174.6	-102.4	0	0	0	109.6	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 WeakPolarHBondContact CH2-O 3.5Å; W23-H287 WeakPolarHBondContact CZ2-O 3.39Å; E207-H287 PolarHBondContact O-CE1 3.12Å; P209-H287 HydrophobicContact CG-CB 4.09Å; F232-H287 AromaticContact CD2-CD2 3.86Å; F232-H287 AromaticContact CD2-NE2 3.65Å; Y233-H287 PolarHBondContact O-CE1 3.37Å; Y233-H287 VanDerWaalsContact O-CE1 3.26Å; P234-H287 PolarHBondContact O-NE2 2.87Å; E236-H287 PolarHBondContact O-CD2 2.86Å; I237-H287 HydrophobicContact CD1-CB 4.17Å; I237-H287 HydrophobicContact CG1-CB 3.99Å; H287-G289 PolarHBondContact ND1-N 3.21Å; H287-G289 PolarHBondContact O-N 3.44Å; H287-L290 HydrophobicContact CB-CD1 3.94Å; H287-L290 HydrophobicContact CB-CG 4.19Å; H287-L290 WeakPolarHBondContact O-CB 3.43Å; H287-L290 PolarHBondContact O-N 2.98Å
288	E	91.4	Very high	95	Very high	73 Å²	73	59 Å²	59	34%	0.341	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-18.7	-179.9	-162.5	-171.5	147.7	0	0	114	W23 C25 P234 L290	W23-E288 HydrophobicContact CE3-CG 4.48Å; W23-E288 VanDerWaalsContact CH2-CA 3.43Å; W23-E288 WeakPolarHBondContact CH2-O 3.34Å; W23-E288 HydrophobicContact CZ3-CG 4.33Å; W23-E288 WeakPolarHBondContact CZ3-O 3.46Å; C25-E288 PolarHBondContact SG-OE1 2.92Å; P234-E288 HydrophobicContact CG-CB 4.49Å; P234-E288 WeakPolarHBondContact CG-OE2 3.45Å; E288-L290 VanDerWaalsContact C-N 3.32Å; E288-L290 PolarHBondContact O-N 2.86Å
289	G	91.2	Very high	94.4	Very high	19 Å²	19	60 Å²	60	20%	0.196	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-8.2	174.3	0	0	0	0	0	115	H287	H287-G289 PolarHBondContact ND1-N 3.21Å; H287-G289 PolarHBondContact O-N 3.44Å
290	L	93.5	Very high	92.6	Very high	11 Å²	11	61.5 Å²	61.5	6%	0.058	33%	0.326	C	S	.	.			trans	-108.4	115.8	-170.6	-65.3	172.7	0	0	0	112.4	W23 H208 P209 V285 H287 E288 E292 L294	W23-L290 WeakPolarHBondContact CH2-O 3.27Å; W23-L290 WeakPolarHBondContact CZ2-O 3.39Å; H208-L290 HydrophobicContact CB-CD2 3.91Å; P209-L290 HydrophobicContact CG-CD1 3.82Å; P209-L290 HydrophobicContact CG-CD2 4.32Å; P209-L290 HydrophobicContact CG-CG 4.16Å; V285-L290 HydrophobicContact CG1-CD1 4.15Å; H287-L290 HydrophobicContact CB-CD1 3.94Å; H287-L290 HydrophobicContact CB-CG 4.19Å; H287-L290 WeakPolarHBondContact O-CB 3.43Å; H287-L290 PolarHBondContact O-N 2.98Å; E288-L290 VanDerWaalsContact C-N 3.32Å; E288-L290 PolarHBondContact O-N 2.86Å; L290-E292 PolarHBondContact O-N 3.26Å; L290-L294 HydrophobicContact CD1-CD1 4.01Å; L290-L294 HydrophobicContact CD1-CG 3.92Å; L290-L294 HydrophobicContact CD2-CD1 3.64Å; L290-L294 HydrophobicContact CD2-CG 3.91Å; L290-L294 HydrophobicContact CG-CD1 4.49Å; L290-L294 HydrophobicContact CG-CG 4.5Å
291	P	91.8	Very high	90.3	Very high	131 Å²	131	61.9 Å²	61.9	85%	0.851	34%	0.344	S	S	*	.	S	Bend	trans	-59.7	-26	-178.2	26.2	-35.6	0	0	0	113.7
292	E	92.4	Very high	87.7	Confident	152 Å²	152	67.1 Å²	67.1	71%	0.71	38%	0.381	S	S	*	.	S	Bend	trans	-141.2	149.6	169.4	-64.9	-178.2	175.7	0	0	109	L290 L294	L290-E292 PolarHBondContact O-N 3.26Å; E292-L294 PolarHBondContact O-N 3.01Å
293	P	94.8	Very high	85.1	Confident	65 Å²	65	74.2 Å²	74.2	42%	0.422	41%	0.414	S	S	.	.			trans	-53	136	173.1	-28.8	37.1	0	0	0	113.1	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.31Å; Q286-P293 HydrophobicContact CG-CB 4.04Å; Q286-P293 HydrophobicContact CG-CG 4.14Å
294	L	95.9	Very high	82.3	Confident	62 Å²	62	79.7 Å²	79.7	33%	0.325	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	134.8	176.7	-64.6	177.2	0	0	0	110.9	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.28Å; H284-L294 CarbonylContact C-O 3.59Å; H284-L294 WeakPolarHBondContact CA-O 3.22Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 3.14Å; V285-L294 PolarHBondContact O-N 3.05Å; L290-L294 HydrophobicContact CD1-CD1 4.01Å; L290-L294 HydrophobicContact CD1-CG 3.92Å; L290-L294 HydrophobicContact CD2-CD1 3.64Å; L290-L294 HydrophobicContact CD2-CG 3.91Å; L290-L294 HydrophobicContact CG-CD1 4.49Å; L290-L294 HydrophobicContact CG-CG 4.5Å; E292-L294 PolarHBondContact O-N 3.01Å
295	T	96.9	Very high	79.8	Confident	77 Å²	77	83.5 Å²	83.5	47%	0.472	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123	168.5	-54.5	0	0	0	0	109.7	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.69Å; C283-T295 CarbonylContact O-C 3.5Å; C283-T295 WeakPolarHBondContact O-CA 3.48Å; H284-T295 VanDerWaalsContact CE1-CG2 3.47Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.3Å; H284-T295 PolarHBondContact CE1-OG1 3Å; H284-T295 PolarHBondContact ND1-OG1 3.05Å
296	L	96.2	Very high	77.6	Confident	35 Å²	35	88.8 Å²	88.8	18%	0.183	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	142.3	-173.1	-60.7	155.3	0	0	0	110.2	T211 V213 T282 C283 V285	T211-L296 HydrophobicContact CG2-CD1 4.13Å; V213-L296 HydrophobicContact CG2-CB 3.9Å; T282-L296 CarbonylContact C-O 3.54Å; T282-L296 VanDerWaalsContact CA-O 3.32Å; T282-L296 WeakPolarHBondContact CA-O 3.49Å; C283-L296 HydrophobicContact CB-CB 4.28Å; C283-L296 PolarHBondContact N-O 3.24Å; C283-L296 PolarHBondContact O-N 2.82Å; V285-L296 HydrophobicContact CG2-CD1 3.89Å
297	R	95.1	Very high	75.4	Confident	147 Å²	147	88.4 Å²	88.4	56%	0.555	51%	0.51	S	S	*	.			trans	-122.5	157.8	168.1	-65.9	-172	-178.2	-165.9	-3	109.5	Q279 T282	Q279-R297 PolarHBondContact O-NH1 2.9Å; T282-R297 HydrophobicContact CG2-CG 3.61Å; T282-R297 VanDerWaalsContact CG2-NE 3.26Å
298	W	92.3	Very high	73.8	Confident	78 Å²	78	93.9 Å²	93.9	30%	0.295	54%	0.538	S	S	.	.	S	Bend	trans	-72.5	132.9	167	172.3	66.8	0	0	0	110.4	V213 H215 L225 E278 Q279	V213-W298 HydrophobicContact CB-CB 4.43Å; V213-W298 HydrophobicContact CG1-CB 3.81Å; H215-W298 HydrophobicContact CB-CD2 4.11Å; H215-W298 VanDerWaalsContact CB-CE2 3.46Å; H215-W298 HydrophobicContact CB-CG 4.12Å; H215-W298 HydrophobicContact CB-CZ2 3.92Å; H215-W298 AromaticContact CD2-CE2 3.83Å; H215-W298 AromaticContact CD2-CH2 3.88Å; H215-W298 AromaticContact CD2-CZ2 3.67Å; H215-W298 AromaticContact CE1-CZ2 3.99Å; H215-W298 AromaticContact CG-CE2 3.61Å; H215-W298 AromaticContact CG-CZ2 3.56Å; H215-W298 AromaticContact CG-NE1 3.84Å; H215-W298 AromaticContact ND1-CZ2 3.77Å; H215-W298 AromaticContact NE2-CH2 3.88Å; H215-W298 AromaticContact NE2-CZ2 3.96Å; L225-W298 HydrophobicContact CD1-CB 4.41Å; L225-W298 HydrophobicContact CD2-CB 3.78Å; L225-W298 HydrophobicContact CD2-CD2 4.26Å; L225-W298 HydrophobicContact CD2-CG 3.89Å; E278-W298 HydrophobicContact CB-CD2 4.36Å; E278-W298 HydrophobicContact CB-CE3 3.34Å; E278-W298 HydrophobicContact CB-CZ3 3.66Å; E278-W298 HydrophobicContact CG-CE3 3.65Å; E278-W298 HydrophobicContact CG-CH2 4.43Å; E278-W298 HydrophobicContact CG-CZ3 3.54Å; Q279-W298 PolarHBondContact NE2-O 3.23Å
299	G	80.7	Confident	72.2	Confident	39 Å²	39	96.2 Å²	96.2	40%	0.402	56%	0.557	S	S	.	*	S	Bend	trans	155.4	168.5	-179.2	0	0	0	0	0	111.2	S301	G299-S301 PolarHBondContact O-N 3.47Å
300	P	56.3	Low	70.8	Confident	127 Å²	127	97.5 Å²	97.5	83%	0.825	57%	0.57	S	S	*	*	S	Bend	trans	-60.4	131.1	173.5	25.9	-33	0	0	0	109.9	S302	P300-S302 PolarHBondContact O-N 3.23Å
301	S	48	Very low	69.8	Low	108 Å²	108	101.5 Å²	101.5	76%	0.755	59%	0.591	S	S	*	*			trans	-62.7	106.7	-175.4	48.4	0	0	0	0	110.8	G299 Q303	G299-S301 PolarHBondContact O-N 3.47Å; S301-Q303 PolarHBondContact O-N 3.44Å
302	S	42.3	Very low	68.8	Low	117 Å²	117	99.7 Å²	99.7	82%	0.818	58%	0.577	S	S	*	*			trans	-74.4	65.9	167	-61.6	0	0	0	0	108.9	P300 P304	P300-S302 PolarHBondContact O-N 3.23Å; S302-P304 WeakPolarHBondContact O-CD 3.44Å
303	Q	43.2	Very low	67.9	Low	158 Å²	158	94.9 Å²	94.9	74%	0.738	56%	0.563	S	S	*	*			trans	-53.9	124.5	156.9	-79.4	-169.5	-24.6	0	0	106.1	S301 T305	S301-Q303 PolarHBondContact O-N 3.44Å; Q303-T305 VanDerWaalsContact C-N 3.32Å; Q303-T305 PolarHBondContact O-N 2.87Å
304	P	39.9	Very low	67	Low	115 Å²	115	93.4 Å²	93.4	75%	0.747	56%	0.56	S	S	*	*			trans	-66.3	100	177.1	26.3	-32.2	0	0	0	107.3	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.44Å; P304-I306 PolarHBondContact O-N 2.75Å
305	T	43.3	Very low	66.4	Low	132 Å²	132	95.6 Å²	95.6	81%	0.81	57%	0.572	S	S	*	*			trans	-64.5	89.6	169.3	-53.9	0	0	0	0	106.7	Q303 P307	Q303-T305 VanDerWaalsContact C-N 3.32Å; Q303-T305 PolarHBondContact O-N 2.87Å; T305-P307 WeakPolarHBondContact O-CD 3.43Å; T305-P307 VanDerWaalsContact O-N 3.12Å
306	I	53.3	Low	65.7	Low	111 Å²	111	94.6 Å²	94.6	57%	0.569	57%	0.571	S	S	*	*			trans	-48.2	123.4	171.2	-61.9	174.5	0	0	0	105.5	P304 I308 I311	P304-I306 PolarHBondContact O-N 2.75Å; I306-I308 PolarHBondContact O-N 2.87Å; I306-I311 HydrophobicContact CG2-CD1 4.01Å
307	P	50.7	Low	65.1	Low	93 Å²	93	97.1 Å²	97.1	60%	0.604	59%	0.587	S	S	*	*			trans	-74.4	79.2	-174.9	29.1	-34.4	0	0	0	109.1	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.43Å; T305-P307 VanDerWaalsContact O-N 3.12Å; P307-V309 PolarHBondContact O-N 2.93Å; P307-V309 VanDerWaalsContact O-N 3.14Å; P307-G310 WeakPolarHBondContact O-CA 3.38Å; P307-G310 PolarHBondContact O-N 2.77Å; P307-I311 PolarHBondContact O-N 3.42Å
308	I	60.2	Low	64.5	Low	121 Å²	121	95.5 Å²	95.5	62%	0.621	59%	0.589	S	S	*	*	H	α-helix	trans	-53	-36.5	178.5	-67.1	165.8	0	0	0	109.7	I306 G310 I311 V312	I306-I308 PolarHBondContact O-N 2.87Å; I308-G310 VanDerWaalsContact C-N 3.32Å; I308-G310 PolarHBondContact O-N 3.47Å; I308-I311 PolarHBondContact O-N 3.42Å; I308-V312 HydrophobicContact CG2-CG2 4.17Å; I308-V312 WeakPolarHBondContact O-CB 3.18Å; I308-V312 VanDerWaalsContact O-CG2 3.31Å; I308-V312 WeakPolarHBondContact O-CG2 3.49Å; I308-V312 PolarHBondContact O-N 3.07Å
309	V	58.3	Low	64.1	Low	123 Å²	123	94.5 Å²	94.5	75%	0.745	60%	0.597	S	S	*	*	H	α-helix	trans	-56.1	-41.7	172.9	-180	0	0	0	0	112.5	P307 A313	P307-V309 PolarHBondContact O-N 2.93Å; P307-V309 VanDerWaalsContact O-N 3.14Å; V309-A313 VanDerWaalsContact O-CB 3.22Å; V309-A313 WeakPolarHBondContact O-CB 3.46Å; V309-A313 PolarHBondContact O-N 3.24Å
310	G	62.9	Low	64.3	Low	45 Å²	45	96.8 Å²	96.8	46%	0.464	60%	0.604	S	S	.	*	H	α-helix	trans	-68.6	-39	178.8	0	0	0	0	0	112.9	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.38Å; P307-G310 PolarHBondContact O-N 2.77Å; I308-G310 VanDerWaalsContact C-N 3.32Å; I308-G310 PolarHBondContact O-N 3.47Å; G310-G314 PolarHBondContact O-N 3.41Å
311	I	70.5	Confident	65.6	Low	96 Å²	96	95.7 Å²	95.7	49%	0.492	59%	0.59	S	S	.	*	H	α-helix	trans	-68.1	-46.2	176.7	-59.8	174.8	0	0	0	110.4	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 4.01Å; P307-I311 PolarHBondContact O-N 3.42Å; I308-I311 PolarHBondContact O-N 3.42Å; I311-G314 PolarHBondContact O-N 3.42Å; I311-L315 HydrophobicContact CG2-CD1 4.05Å; I311-L315 WeakPolarHBondContact O-CG 3.42Å; I311-L315 PolarHBondContact O-N 3.4Å
312	V	72.7	Confident	67.2	Low	92 Å²	92	93.7 Å²	93.7	56%	0.558	58%	0.58	S	S	*	*	H	α-helix	trans	-63.6	-42.5	178.1	172.7	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.17Å; I308-V312 WeakPolarHBondContact O-CB 3.18Å; I308-V312 VanDerWaalsContact O-CG2 3.31Å; I308-V312 WeakPolarHBondContact O-CG2 3.49Å; I308-V312 PolarHBondContact O-N 3.07Å; V312-L315 PolarHBondContact O-N 3.41Å; V312-A316 WeakPolarHBondContact O-CB 3.09Å; V312-A316 PolarHBondContact O-N 2.9Å
313	A	71.7	Confident	69.1	Low	51 Å²	51	92.7 Å²	92.7	42%	0.421	57%	0.569	S	S	.	*	H	α-helix	trans	-63	-44	175	0	0	0	0	0	112.1	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.22Å; V309-A313 WeakPolarHBondContact O-CB 3.46Å; V309-A313 PolarHBondContact O-N 3.24Å; A313-A316 PolarHBondContact O-N 3.41Å; A313-V317 WeakPolarHBondContact O-CG2 3.47Å; A313-V317 PolarHBondContact O-N 2.97Å
314	G	77.5	Confident	70.9	Confident	35 Å²	35	89.8 Å²	89.8	36%	0.361	56%	0.558	S	S	.	*	H	α-helix	trans	-61.2	-44.1	176.9	0	0	0	0	0	113	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.41Å; I311-G314 PolarHBondContact O-N 3.42Å; G314-V317 PolarHBondContact O-N 2.93Å; G314-L318 WeakPolarHBondContact O-CG 3.33Å; G314-L318 PolarHBondContact O-N 3.08Å
315	L	83.3	Confident	72.8	Confident	108 Å²	108	86.3 Å²	86.3	57%	0.565	54%	0.543	S	S	*	.	H	α-helix	trans	-65.5	-39.3	176.4	-71.3	171.8	0	0	0	112.4	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.05Å; I311-L315 WeakPolarHBondContact O-CG 3.42Å; I311-L315 PolarHBondContact O-N 3.4Å; V312-L315 PolarHBondContact O-N 3.41Å; L315-L318 PolarHBondContact O-N 3.34Å; L315-A319 WeakPolarHBondContact O-CB 2.96Å; L315-A319 PolarHBondContact O-N 3.26Å
316	A	80.7	Confident	74.5	Confident	55 Å²	55	82.7 Å²	82.7	46%	0.455	53%	0.526	S	S	.	.	H	α-helix	trans	-63.2	-43.1	175.8	0	0	0	0	0	112.1	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.09Å; V312-A316 PolarHBondContact O-N 2.9Å; A313-A316 PolarHBondContact O-N 3.41Å; A316-A319 PolarHBondContact O-N 3.18Å; A316-V320 WeakPolarHBondContact O-CG2 3.43Å; A316-V320 PolarHBondContact O-N 2.88Å
317	V	83.8	Confident	75.8	Confident	88 Å²	88	81.2 Å²	81.2	53%	0.533	52%	0.522	S	S	.	.	H	α-helix	trans	-63.8	-43.8	176.1	172.1	0	0	0	0	111.3	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.47Å; A313-V317 PolarHBondContact O-N 2.97Å; G314-V317 PolarHBondContact O-N 2.93Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 3.15Å; V317-V320 PolarHBondContact O-N 3.01Å; V317-L321 HydrophobicContact CG1-CD1 3.93Å; V317-L321 HydrophobicContact CG1-CG 4.41Å; V317-L321 WeakPolarHBondContact O-CG 3.48Å; V317-L321 PolarHBondContact O-N 3.18Å
318	L	83	Confident	77	Confident	114 Å²	114	82.4 Å²	82.4	60%	0.597	52%	0.521	S	S	*	.	H	α-helix	trans	-60.8	-41.6	176	-78.7	166.9	0	0	0	112.5	G314 L315 L321 A322	G314-L318 WeakPolarHBondContact O-CG 3.33Å; G314-L318 PolarHBondContact O-N 3.08Å; L315-L318 PolarHBondContact O-N 3.34Å; L318-L321 PolarHBondContact O-N 2.83Å; L318-A322 WeakPolarHBondContact O-CB 3.44Å; L318-A322 PolarHBondContact O-N 2.9Å
319	A	83.4	Confident	77.6	Confident	56 Å²	56	79.2 Å²	79.2	46%	0.463	51%	0.513	S	S	.	.	H	α-helix	trans	-63.1	-43.9	176.2	0	0	0	0	0	112.2	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 2.96Å; L315-A319 PolarHBondContact O-N 3.26Å; A316-A319 PolarHBondContact O-N 3.18Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 3.15Å; A319-A322 PolarHBondContact O-N 3.46Å; A319-V323 WeakPolarHBondContact O-CG2 3.46Å; A319-V323 PolarHBondContact O-N 3.12Å
320	V	84.6	Confident	78.4	Confident	88 Å²	88	77.3 Å²	77.3	53%	0.533	50%	0.501	S	S	.	.	H	α-helix	trans	-62.9	-43.4	176.5	171.3	0	0	0	0	111.4	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.43Å; A316-V320 PolarHBondContact O-N 2.88Å; V317-V320 PolarHBondContact O-N 3.01Å; V320-A322 PolarHBondContact O-N 3.02Å; V320-V323 PolarHBondContact O-N 3.14Å; V320-L324 HydrophobicContact CG1-CD1 3.97Å; V320-L324 HydrophobicContact CG1-CG 4.5Å; V320-L324 WeakPolarHBondContact O-CG 3.42Å; V320-L324 PolarHBondContact O-N 3.03Å
321	L	84.1	Confident	78.9	Confident	104 Å²	104	78.6 Å²	78.6	55%	0.545	50%	0.5	S	S	.	.	H	α-helix	trans	-64.1	-39.1	176.9	-71	172.1	0	0	0	112.4	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 3.93Å; V317-L321 HydrophobicContact CG1-CG 4.41Å; V317-L321 WeakPolarHBondContact O-CG 3.48Å; V317-L321 PolarHBondContact O-N 3.18Å; L318-L321 PolarHBondContact O-N 2.83Å; L321-L324 PolarHBondContact O-N 3.17Å; L321-G325 PolarHBondContact O-N 3.5Å
322	A	81.9	Confident	78.9	Confident	66 Å²	66	80.3 Å²	80.3	55%	0.545	51%	0.507	S	S	.	.	H	α-helix	trans	-63.8	-42.7	175.3	0	0	0	0	0	112.2	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.44Å; L318-A322 PolarHBondContact O-N 2.9Å; A319-A322 PolarHBondContact O-N 3.46Å; V320-A322 PolarHBondContact O-N 3.02Å; A322-G325 PolarHBondContact O-N 3.09Å; A322-A326 WeakPolarHBondContact O-CB 3.3Å; A322-A326 PolarHBondContact O-N 2.73Å
323	V	82.9	Confident	78.5	Confident	95 Å²	95	80.3 Å²	80.3	58%	0.576	51%	0.51	S	S	*	.	H	α-helix	trans	-64.2	-44.8	175.5	172.7	0	0	0	0	111.2	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.46Å; A319-V323 PolarHBondContact O-N 3.12Å; V320-V323 PolarHBondContact O-N 3.14Å; V323-G325 PolarHBondContact O-N 3.23Å; V323-A326 PolarHBondContact O-N 2.72Å; V323-V327 HydrophobicContact CG1-CG2 4.45Å; V323-V327 WeakPolarHBondContact O-CG2 3.41Å; V323-V327 PolarHBondContact O-N 2.76Å
324	L	80.6	Confident	78.1	Confident	98 Å²	98	86.8 Å²	86.8	51%	0.513	52%	0.524	S	S	.	.	H	α-helix	trans	-61.5	-42.6	175.9	-73.1	169.4	0	0	0	111.9	V320 L321 V327 M328	V320-L324 HydrophobicContact CG1-CD1 3.97Å; V320-L324 HydrophobicContact CG1-CG 4.5Å; V320-L324 WeakPolarHBondContact O-CG 3.42Å; V320-L324 PolarHBondContact O-N 3.03Å; L321-L324 PolarHBondContact O-N 3.17Å; L324-V327 PolarHBondContact O-N 3.25Å; L324-M328 WeakPolarHBondContact O-CB 3.49Å; L324-M328 VanDerWaalsContact O-CG 3.31Å; L324-M328 WeakPolarHBondContact O-CG 3.42Å; L324-M328 PolarHBondContact O-N 2.99Å
325	G	80.4	Confident	77.1	Confident	42 Å²	42	94.9 Å²	94.9	43%	0.433	54%	0.544	S	S	.	.	H	α-helix	trans	-60.3	-44.6	174.4	0	0	0	0	0	112.7	L321 A322 V323 M328 A329	L321-G325 PolarHBondContact O-N 3.5Å; A322-G325 PolarHBondContact O-N 3.09Å; V323-G325 PolarHBondContact O-N 3.23Å; G325-M328 PolarHBondContact O-N 3.09Å; G325-A329 WeakPolarHBondContact O-CB 3.45Å; G325-A329 PolarHBondContact O-N 3.34Å
326	A	78.8	Confident	75.5	Confident	56 Å²	56	98.7 Å²	98.7	46%	0.463	56%	0.556	S	S	.	*	H	α-helix	trans	-64	-43.2	176.3	0	0	0	0	0	112.4	A322 V323 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.3Å; A322-A326 PolarHBondContact O-N 2.73Å; V323-A326 PolarHBondContact O-N 2.72Å; A326-A329 PolarHBondContact O-N 2.91Å; A326-V330 WeakPolarHBondContact O-CG2 3.39Å; A326-V330 PolarHBondContact O-N 2.7Å
327	V	80	Confident	74.1	Confident	79 Å²	79	100.6 Å²	100.6	48%	0.479	57%	0.566	S	S	.	*	H	α-helix	trans	-61.9	-45.1	175.6	170.8	0	0	0	0	110.9	V323 L324 A329 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.45Å; V323-V327 WeakPolarHBondContact O-CG2 3.41Å; V323-V327 PolarHBondContact O-N 2.76Å; L324-V327 PolarHBondContact O-N 3.25Å; V327-A329 PolarHBondContact O-N 2.87Å; V327-V330 PolarHBondContact O-N 2.99Å; V327-V331 HydrophobicContact CG1-CG2 4.39Å; V327-V331 WeakPolarHBondContact O-CB 3.34Å; V327-V331 VanDerWaalsContact O-CG2 3.3Å; V327-V331 WeakPolarHBondContact O-CG2 3.43Å; V327-V331 PolarHBondContact O-N 3.2Å
328	M	74.8	Confident	72.5	Confident	119 Å²	119	101.3 Å²	101.3	59%	0.586	57%	0.574	S	S	*	*	H	α-helix	trans	-62.6	-41.6	176.9	-72.8	-64.2	-71.4	0	0	112.2	L324 G325 V331 M332	L324-M328 WeakPolarHBondContact O-CB 3.49Å; L324-M328 VanDerWaalsContact O-CG 3.31Å; L324-M328 WeakPolarHBondContact O-CG 3.42Å; L324-M328 PolarHBondContact O-N 2.99Å; G325-M328 PolarHBondContact O-N 3.09Å; M328-V331 PolarHBondContact O-N 3.4Å; M328-M332 WeakPolarHBondContact O-CB 3.03Å; M328-M332 WeakPolarHBondContact O-CG 3.3Å; M328-M332 PolarHBondContact O-N 2.9Å
329	A	73.8	Confident	70.6	Confident	54 Å²	54	99 Å²	99	45%	0.446	58%	0.578	S	S	.	*	H	α-helix	trans	-61.8	-45	174.6	0	0	0	0	0	112.1	G325 A326 V327 V331 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.45Å; G325-A329 PolarHBondContact O-N 3.34Å; A326-A329 PolarHBondContact O-N 2.91Å; V327-A329 PolarHBondContact O-N 2.87Å; A329-V331 PolarHBondContact O-N 3.18Å; A329-M332 PolarHBondContact O-N 3.24Å; A329-C333 WeakPolarHBondContact O-CB 3.34Å; A329-C333 PolarHBondContact O-N 3.12Å; A329-C333 PolarHBondContact O-SG 3.41Å
330	V	74.4	Confident	68.4	Low	82 Å²	82	100.4 Å²	100.4	50%	0.497	60%	0.599	S	S	.	*	H	α-helix	trans	-63.9	-40.5	176.6	170.2	0	0	0	0	111.8	A326 V327 C333 R334	A326-V330 WeakPolarHBondContact O-CG2 3.39Å; A326-V330 PolarHBondContact O-N 2.7Å; V327-V330 PolarHBondContact O-N 2.99Å; V330-C333 PolarHBondContact O-N 2.69Å; V330-R334 WeakPolarHBondContact O-CB 3.29Å; V330-R334 WeakPolarHBondContact O-CG 3.39Å; V330-R334 PolarHBondContact O-N 2.95Å
331	V	73.9	Confident	66.1	Low	72 Å²	72	106.7 Å²	106.7	44%	0.436	62%	0.618	S	S	.	*	H	α-helix	trans	-66.5	-40.2	176.3	170	0	0	0	0	111.4	V327 M328 A329 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.39Å; V327-V331 WeakPolarHBondContact O-CB 3.34Å; V327-V331 VanDerWaalsContact O-CG2 3.3Å; V327-V331 WeakPolarHBondContact O-CG2 3.43Å; V327-V331 PolarHBondContact O-N 3.2Å; M328-V331 PolarHBondContact O-N 3.4Å; A329-V331 PolarHBondContact O-N 3.18Å; V331-R334 PolarHBondContact O-N 3.1Å; V331-R335 PolarHBondContact O-N 2.97Å
332	M	71.7	Confident	63.7	Low	132 Å²	132	105.7 Å²	105.7	65%	0.65	63%	0.633	S	S	*	*	H	α-helix	trans	-65.9	-42.6	174.3	-74.7	-173.3	70.1	0	0	112.2	M328 A329 R334 R335 K336	M328-M332 WeakPolarHBondContact O-CB 3.03Å; M328-M332 WeakPolarHBondContact O-CG 3.3Å; M328-M332 PolarHBondContact O-N 2.9Å; A329-M332 PolarHBondContact O-N 3.24Å; M332-R334 PolarHBondContact O-N 3.47Å; M332-R335 PolarHBondContact O-N 3.17Å; M332-K336 WeakPolarHBondContact O-CB 3.16Å; M332-K336 PolarHBondContact O-N 3.08Å
333	C	63.3	Low	61.3	Low	92 Å²	92	106.6 Å²	106.6	62%	0.622	65%	0.65	S	S	*	*	H	α-helix	trans	-59.7	-44.6	172.8	-76.3	0	0	0	0	111.7	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.34Å; A329-C333 PolarHBondContact O-N 3.12Å; A329-C333 PolarHBondContact O-SG 3.41Å; V330-C333 PolarHBondContact O-N 2.69Å; C333-K336 PolarHBondContact O-N 3.24Å; C333-K336 VanDerWaalsContact O-N 3.14Å; C333-S337 PolarHBondContact O-N 3Å; C333-S337 PolarHBondContact O-OG 2.87Å
334	R	62.3	Low	58.9	Low	187 Å²	187	107.5 Å²	107.5	71%	0.706	66%	0.66	S	S	*	*	H	α-helix	trans	-66.2	-35.5	177.3	-78.4	-175.5	166.3	-175.2	-3.7	113.6	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.29Å; V330-R334 WeakPolarHBondContact O-CG 3.39Å; V330-R334 PolarHBondContact O-N 2.95Å; V331-R334 PolarHBondContact O-N 3.1Å; M332-R334 PolarHBondContact O-N 3.47Å; R334-K336 VanDerWaalsContact C-N 3.33Å; R334-S337 WeakPolarHBondContact CA-OG 3.15Å; R334-S337 PolarHBondContact O-OG 3.36Å
335	R	57.4	Low	56.6	Low	206 Å²	206	108.3 Å²	108.3	78%	0.777	67%	0.672	S	S	*	*	H	α-helix	trans	-67.1	-31.2	170.6	-95.1	-174.9	167.7	177.7	-3	112.9	V331 M332 S338	V331-R335 PolarHBondContact O-N 2.97Å; M332-R335 PolarHBondContact O-N 3.17Å; R335-S338 PolarHBondContact O-OG 3.18Å
336	K	50.3	Low	54.3	Low	188 Å²	188	112.1 Å²	112.1	82%	0.817	69%	0.692	S	S	*	*	H	α-helix	trans	-80.6	-21.3	178.6	-161.1	168.9	-177.9	178.3	0	113.2	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.16Å; M332-K336 PolarHBondContact O-N 3.08Å; C333-K336 PolarHBondContact O-N 3.24Å; C333-K336 VanDerWaalsContact O-N 3.14Å; R334-K336 VanDerWaalsContact C-N 3.33Å
337	S	51.3	Low	52.4	Low	95 Å²	95	118.8 Å²	118.8	66%	0.664	71%	0.714	S	S	*	*	S	Bend	trans	-87.9	-3.8	176.8	57.7	0	0	0	0	115.3	C333 R334	C333-S337 PolarHBondContact O-N 3Å; C333-S337 PolarHBondContact O-OG 2.87Å; R334-S337 WeakPolarHBondContact CA-OG 3.15Å; R334-S337 PolarHBondContact O-OG 3.36Å
338	S	48.9	Very low	50	Low	102 Å²	102	119.8 Å²	119.8	71%	0.713	73%	0.73	S	S	*	*	S	Bend	trans	-95.8	26.3	-177.8	71.9	0	0	0	0	114.5	R335	R335-S338 PolarHBondContact O-OG 3.18Å
339	G	44.7	Very low	47.8	Very low	66 Å²	66	119.2 Å²	119.2	68%	0.68	75%	0.745	S	S	*	*	S	Bend	trans	-165.5	116.1	175.8	0	0	0	0	0	113.2
340	G	36.5	Very low	46.1	Very low	86 Å²	86	122.1 Å²	122.1	89%	0.887	76%	0.762	S	S	*	*			trans	130.7	110.6	171.7	0	0	0	0	0	113.7
341	K	35.4	Very low	44.2	Very low	219 Å²	219	123.3 Å²	123.3	95%	0.952	77%	0.774	S	S	*	*			trans	-113	133.1	-174.1	178	177.3	-179.6	176.4	0	110.4
342	G	34.5	Very low	42.4	Very low	83 Å²	83	127.4 Å²	127.4	86%	0.856	79%	0.793	S	S	*	*			trans	95.3	139.9	154.3	0	0	0	0	0	118.1
343	G	30.3	Very low	40.8	Very low	86 Å²	86	126.7 Å²	126.7	89%	0.887	80%	0.801	S	S	*	*			trans	149	115	170.2	0	0	0	0	0	112.3
344	S	33.8	Very low	39.5	Very low	113 Å²	113	126 Å²	126	79%	0.79	80%	0.802	S	S	*	*			trans	-132.2	164.1	178.9	-174	0	0	0	0	110.7
345	C	31.7	Very low	38.2	Very low	115 Å²	115	126.4 Å²	126.4	78%	0.777	81%	0.812	S	S	*	*			trans	74.6	146	175.4	-63.2	0	0	0	0	116
346	S	33	Very low	37	Very low	122 Å²	122	119.9 Å²	119.9	85%	0.853	81%	0.808	S	S	*	*			cis	-155.1	167.1	6.5	14.1	0	0	0	0	114.5
347	Q	37.9	Very low	36.3	Very low	196 Å²	196	116.2 Å²	116.2	92%	0.916	81%	0.807	S	S	*	*			trans	-76.4	147.7	-176.2	-163.3	177.7	1.9	0	0	114.4
348	A	29.1	Very low	35.5	Very low	100 Å²	100	119.1 Å²	119.1	83%	0.826	82%	0.815	S	S	*	*			trans	-173.7	145.1	153	0	0	0	0	0	109
349	A	30.5	Very low	34.7	Very low	107 Å²	107	122.6 Å²	122.6	88%	0.884	82%	0.82	S	S	*	*			cis	-157	163.9	-17.9	0	0	0	0	0	108.5
350	S	37.8	Very low	34	Very low	115 Å²	115	123.9 Å²	123.9	80%	0.804	82%	0.818	S	S	*	*			trans	-129.7	134.4	-172.5	57.4	0	0	0	0	114.1
351	S	34.4	Very low	33.9	Very low	108 Å²	108	127.4 Å²	127.4	76%	0.755	82%	0.816	S	S	*	*			trans	-169	121.9	155.3	47.5	0	0	0	0	108.4
352	N	36.4	Very low	33.7	Very low	158 Å²	158	125.1 Å²	125.1	85%	0.845	81%	0.813	S	S	*	*				55.8	133.7	82.9	-68.5	-1.6	0	0	0	112.4
353	S	38.2	Very low	33.6	Very low	116 Å²	116	125 Å²	125	81%	0.811	80%	0.803	S	S	*	*			cis	-156.6	-172.9	17.5	-23.8	0	0	0	0	108.6
354	A	34.8	Very low	33.7	Very low	77 Å²	77	126.9 Å²	126.9	64%	0.636	80%	0.801	S	S	*	*			cis	-164.8	177.7	-3.2	0	0	0	0	0	109.3
355	Q	36	Very low	33.9	Very low	197 Å²	197	134.7 Å²	134.7	92%	0.921	82%	0.821	S	S	*	*			trans	67.1	144	168.3	-69.2	161.1	-60.7	0	0	117.2
356	G	31.6	Very low	34	Very low	68 Å²	68	135.7 Å²	135.7	70%	0.701	82%	0.823	S	S	*	*			cis	140.8	131.2	-3.7	0	0	0	0	0	112.3
357	S	35.3	Very low	34	Very low	112 Å²	112	136.4 Å²	136.4	78%	0.783	82%	0.822	S	S	*	*			trans	78.7	101.4	167.3	-57.2	0	0	0	0	119.9
358	D	34.3	Very low	33.8	Very low	155 Å²	155	133.1 Å²	133.1	83%	0.829	82%	0.817	S	S	*	*				68.3	149.4	114.8	-68.7	-40	0	0	0	126.1
359	E	32.3	Very low	34.1	Very low	175 Å²	175	135.1 Å²	135.1	82%	0.818	82%	0.816	S	S	*	*			trans	74.4	101.3	153.1	-78.7	-161.6	135.4	0	0	123.9
360	S	31.2	Very low	34.3	Very low	93 Å²	93	136.8 Å²	136.8	65%	0.65	81%	0.812	S	S	*	*				87.1	128.2	116.5	81.9	0	0	0	0	121.6
361	L	33.5	Very low	34.1	Very low	161 Å²	161	138.3 Å²	138.3	84%	0.843	81%	0.812	S	S	*	*			trans	38.2	122.9	137.6	-57.6	168.2	0	0	0	119.9
362	I	32.3	Very low	34	Very low	171 Å²	171	140.4 Å²	140.4	88%	0.877	82%	0.816	S	S	*	*				-175.1	155.8	99.8	-93.3	170.7	0	0	0	111.7
363	A	32.3	Very low	33.9	Very low	80 Å²	80	139.1 Å²	139.1	66%	0.661	81%	0.814	S	S	*	*			trans	-57.9	161.4	-170.6	0	0	0	0	0	120
364	C	31.9	Very low	33.5	Very low	125 Å²	125	141 Å²	141	85%	0.845	81%	0.814	S	S	*	*			trans	39.8	135.9	138.2	-62.1	0	0	0	0	122
365	K	36.7	Very low	33.4	Very low	278 Å²	278	146.8 Å²	146.8	100%	1.209	83%	0.831	S	S	*	*				-135.8	0	118.1	-142.6	173.7	-170.1	175	0	110.8

Retrieved 365 of 365 residues in 121.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).