A0A060VD16_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VD16, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 365 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	44	Very low	243 Å²	243	131.4 Å²	131.4	100%	1.197	72%	0.716	S	S	*	*				0	93.4	0	-98.1	176	-86.8	0	0	107.8
2	A	38.9	Very low	44.2	Very low	103 Å²	103	131.2 Å²	131.2	85%	0.851	71%	0.712	S	S	*	*			trans	-93.8	107.4	170	0	0	0	0	0	106.5	M4	A2-M4 PolarHBondContact O-N 3.18Å
3	V	40.6	Very low	43.8	Very low	141 Å²	141	128.7 Å²	128.7	86%	0.855	70%	0.698	S	S	*	*			trans	-75.3	104.8	176.1	179.1	0	0	0	0	106.9	A5	V3-A5 PolarHBondContact O-N 3.23Å
4	M	42.6	Very low	43.7	Very low	178 Å²	178	124 Å²	124	88%	0.877	68%	0.679	S	S	*	*			trans	-74.9	106	176.3	-162.5	160.7	63.2	0	0	107.7	A2	A2-M4 PolarHBondContact O-N 3.18Å
5	A	44.4	Very low	43.7	Very low	52 Å²	52	117.9 Å²	117.9	43%	0.43	66%	0.657	S	S	.	*			trans	-58.7	136.2	175.4	0	0	0	0	0	109.7	V3 R7 L10	V3-A5 PolarHBondContact O-N 3.23Å; A5-R7 PolarHBondContact O-N 2.98Å; A5-L10 HydrophobicContact CB-CD1 4.25Å
6	P	45.1	Very low	43.6	Very low	76 Å²	76	113.7 Å²	113.7	49%	0.494	64%	0.641	S	S	.	*			trans	-66	130.5	-175.6	23.2	-27.3	0	0	0	109.7	T8 L9	P6-T8 PolarHBondContact O-N 3.35Å; P6-L9 HydrophobicContact CG-CB 4.24Å; P6-L9 WeakPolarHBondContact O-CB 3.42Å; P6-L9 PolarHBondContact O-N 2.85Å
7	R	49	Very low	43.2	Very low	225 Å²	225	113.4 Å²	113.4	85%	0.849	64%	0.637	S	S	*	*	H	α-helix	trans	-51.6	-25	-178.3	-82.7	178.1	160.3	141.3	-5.3	114	A5 L11	A5-R7 PolarHBondContact O-N 2.98Å; R7-L11 WeakPolarHBondContact O-CG 3.4Å; R7-L11 PolarHBondContact O-N 3.2Å
8	T	50	Low	42.8	Very low	96 Å²	96	110.2 Å²	110.2	59%	0.589	63%	0.627	S	S	*	*	H	α-helix	trans	-68.2	-33.6	174.1	38.6	0	0	0	0	113.5	P6 L12	P6-T8 PolarHBondContact O-N 3.35Å; T8-L12 WeakPolarHBondContact O-CG 3.47Å; T8-L12 PolarHBondContact O-N 3.15Å; T8-L12 VanDerWaalsContact O-N 3.15Å
9	L	43.5	Very low	42.6	Very low	96 Å²	96	109.4 Å²	109.4	50%	0.503	62%	0.62	S	S	.	*	H	α-helix	trans	-71.8	-37.9	177.2	-146.1	88.7	0	0	0	111.3	P6 L13	P6-L9 HydrophobicContact CG-CB 4.24Å; P6-L9 WeakPolarHBondContact O-CB 3.42Å; P6-L9 PolarHBondContact O-N 2.85Å; L9-L13 WeakPolarHBondContact O-CB 3.42Å; L9-L13 WeakPolarHBondContact O-CD1 3.36Å; L9-L13 WeakPolarHBondContact O-CG 3.44Å; L9-L13 PolarHBondContact O-N 2.89Å
10	L	44.5	Very low	42.3	Very low	111 Å²	111	108.5 Å²	108.5	58%	0.581	62%	0.617	S	S	*	*	H	α-helix	trans	-65.4	-40.6	174.5	-101.9	99.8	0	0	0	111.9	A5 L13 S14	A5-L10 HydrophobicContact CB-CD1 4.25Å; L10-L13 PolarHBondContact O-N 2.94Å; L10-S14 PolarHBondContact O-N 3.37Å; L10-S14 PolarHBondContact O-OG 3.07Å
11	L	50.5	Low	42	Very low	124 Å²	124	111 Å²	111	65%	0.649	62%	0.624	S	S	*	*	H	α-helix	trans	-65.9	-41.3	178.3	-77.1	165.8	0	0	0	112.6	R7 S14 G15	R7-L11 WeakPolarHBondContact O-CG 3.4Å; R7-L11 PolarHBondContact O-N 3.2Å; L11-S14 VanDerWaalsContact CA-OG 3.29Å; L11-S14 WeakPolarHBondContact CA-OG 3.29Å; L11-S14 PolarHBondContact O-N 2.74Å; L11-S14 PolarHBondContact O-OG 3.36Å; L11-G15 PolarHBondContact O-N 2.84Å
12	L	45.8	Very low	42.3	Very low	129 Å²	129	104.5 Å²	104.5	68%	0.675	60%	0.598	S	S	*	*	H	α-helix	trans	-65.1	-38.1	174.6	-77.8	164.2	0	0	0	112.3	T8 G15 A16	T8-L12 WeakPolarHBondContact O-CG 3.47Å; T8-L12 PolarHBondContact O-N 3.15Å; T8-L12 VanDerWaalsContact O-N 3.15Å; L12-G15 PolarHBondContact O-N 2.95Å; L12-A16 WeakPolarHBondContact O-CB 3.26Å; L12-A16 PolarHBondContact O-N 2.65Å
13	L	39.4	Very low	42.7	Very low	99 Å²	99	103.8 Å²	103.8	52%	0.518	57%	0.573	S	S	.	*	H	α-helix	trans	-68.6	-37.7	174.7	-80.4	159.6	0	0	0	112.2	L9 L10 L17	L9-L13 WeakPolarHBondContact O-CB 3.42Å; L9-L13 WeakPolarHBondContact O-CD1 3.36Å; L9-L13 WeakPolarHBondContact O-CG 3.44Å; L9-L13 PolarHBondContact O-N 2.89Å; L10-L13 PolarHBondContact O-N 2.94Å; L13-L17 VanDerWaalsContact O-CB 3.26Å; L13-L17 WeakPolarHBondContact O-CB 3.47Å; L13-L17 WeakPolarHBondContact O-CD1 3.32Å; L13-L17 WeakPolarHBondContact O-CG 3.42Å; L13-L17 PolarHBondContact O-N 2.79Å
14	S	42	Very low	43.3	Very low	63 Å²	63	99.6 Å²	99.6	44%	0.441	55%	0.553	S	S	.	*	H	α-helix	trans	-72.1	-32.7	174.1	42	0	0	0	0	113.2	L10 L11 A18	L10-S14 PolarHBondContact O-N 3.37Å; L10-S14 PolarHBondContact O-OG 3.07Å; L11-S14 VanDerWaalsContact CA-OG 3.29Å; L11-S14 WeakPolarHBondContact CA-OG 3.29Å; L11-S14 PolarHBondContact O-N 2.74Å; L11-S14 PolarHBondContact O-OG 3.36Å; S14-A18 VanDerWaalsContact O-CB 3.27Å; S14-A18 WeakPolarHBondContact O-CB 3.5Å; S14-A18 PolarHBondContact O-N 3.03Å
15	G	44	Very low	44.7	Very low	33 Å²	33	92.1 Å²	92.1	34%	0.34	52%	0.522	S	S	.	.	H	α-helix	trans	-65.4	-46.4	170.5	0	0	0	0	0	111.6	L11 L12 A18 L19	L11-G15 PolarHBondContact O-N 2.84Å; L12-G15 PolarHBondContact O-N 2.95Å; G15-A18 PolarHBondContact O-N 3.01Å; G15-L19 VanDerWaalsContact O-CB 3.29Å; G15-L19 WeakPolarHBondContact O-CB 3.1Å; G15-L19 WeakPolarHBondContact O-CD1 3.49Å; G15-L19 PolarHBondContact O-N 2.91Å
16	A	42.4	Very low	46.9	Very low	50 Å²	50	93.4 Å²	93.4	41%	0.413	53%	0.528	S	S	.	.	H	α-helix	trans	-64.7	-39.1	175.5	0	0	0	0	0	112.8	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.26Å; L12-A16 PolarHBondContact O-N 2.65Å; A16-L19 CarbonylContact O-C 3.56Å; A16-L19 PolarHBondContact O-N 3.48Å; A16-T20 WeakPolarHBondContact O-CG2 3.25Å; A16-T20 PolarHBondContact O-N 2.89Å; A16-T20 PolarHBondContact O-OG1 2.92Å
17	L	35.9	Very low	49.2	Very low	109 Å²	109	91.4 Å²	91.4	57%	0.571	51%	0.512	S	S	*	.	H	α-helix	trans	-68.2	-40	176.4	-83.8	158.5	0	0	0	112.3	L13 L19 T20 Q21	L13-L17 VanDerWaalsContact O-CB 3.26Å; L13-L17 WeakPolarHBondContact O-CB 3.47Å; L13-L17 WeakPolarHBondContact O-CD1 3.32Å; L13-L17 WeakPolarHBondContact O-CG 3.42Å; L13-L17 PolarHBondContact O-N 2.79Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-T20 WeakPolarHBondContact CA-OG1 3.37Å; L17-T20 PolarHBondContact O-N 2.86Å; L17-T20 PolarHBondContact O-OG1 3.01Å; L17-Q21 WeakPolarHBondContact O-CB 3.37Å; L17-Q21 PolarHBondContact O-N 2.89Å
18	A	37.3	Very low	51.5	Low	55 Å²	55	81.9 Å²	81.9	46%	0.455	48%	0.48	S	S	.	.	H	α-helix	trans	-64.3	-38.4	171.9	0	0	0	0	0	111.7	S14 G15 Q21 T22	S14-A18 VanDerWaalsContact O-CB 3.27Å; S14-A18 WeakPolarHBondContact O-CB 3.5Å; S14-A18 PolarHBondContact O-N 3.03Å; G15-A18 PolarHBondContact O-N 3.01Å; A18-Q21 PolarHBondContact O-N 3.34Å; A18-T22 PolarHBondContact O-N 3.37Å
19	L	38.3	Very low	53.8	Low	96 Å²	96	77.3 Å²	77.3	50%	0.503	45%	0.452	S	S	.	.	H	α-helix	trans	-70.9	-27.1	174.9	-89.8	148.4	0	0	0	113.7	G15 A16 L17 T22 W23	G15-L19 VanDerWaalsContact O-CB 3.29Å; G15-L19 WeakPolarHBondContact O-CB 3.1Å; G15-L19 WeakPolarHBondContact O-CD1 3.49Å; G15-L19 PolarHBondContact O-N 2.91Å; A16-L19 CarbonylContact O-C 3.56Å; A16-L19 PolarHBondContact O-N 3.48Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L19-T22 PolarHBondContact O-OG1 3.16Å; L19-W23 PolarHBondContact O-NE1 3.05Å
20	T	37.4	Very low	56.4	Low	91 Å²	91	75 Å²	75	56%	0.558	44%	0.436	S	S	*	.	H	α-helix	trans	-84.4	-25.8	173.3	52.7	0	0	0	0	112.8	A16 L17 T22 W23	A16-T20 WeakPolarHBondContact O-CG2 3.25Å; A16-T20 PolarHBondContact O-N 2.89Å; A16-T20 PolarHBondContact O-OG1 2.92Å; L17-T20 WeakPolarHBondContact CA-OG1 3.37Å; L17-T20 PolarHBondContact O-N 2.86Å; L17-T20 PolarHBondContact O-OG1 3.01Å; T20-T22 VanDerWaalsContact C-N 3.26Å; T20-T22 PolarHBondContact O-N 2.98Å; T20-W23 PolarHBondContact O-N 2.97Å
21	Q	34.4	Very low	59	Low	161 Å²	161	70.4 Å²	70.4	75%	0.752	41%	0.411	S	S	*	.	H	α-helix	trans	-71.2	-21.8	176.4	-106.8	178.2	-15.2	0	0	112.9	L17 A18 W23	L17-Q21 WeakPolarHBondContact O-CB 3.37Å; L17-Q21 PolarHBondContact O-N 2.89Å; A18-Q21 PolarHBondContact O-N 3.34Å; Q21-W23 VanDerWaalsContact C-N 3.29Å
22	T	41.8	Very low	61.3	Low	107 Å²	107	68.4 Å²	68.4	66%	0.656	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-3.1	175	51.1	0	0	0	0	114.1	A18 L19 T20	A18-T22 PolarHBondContact O-N 3.37Å; L19-T22 PolarHBondContact O-OG1 3.16Å; T20-T22 VanDerWaalsContact C-N 3.26Å; T20-T22 PolarHBondContact O-N 2.98Å
23	W	47.7	Very low	63.8	Low	88 Å²	88	62.6 Å²	62.6	33%	0.333	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	0.6	-175.9	-75.6	57.2	0	0	0	114	L19 T20 Q21 G25 H287 E288 L290	L19-W23 PolarHBondContact O-NE1 3.05Å; T20-W23 PolarHBondContact O-N 2.97Å; Q21-W23 VanDerWaalsContact C-N 3.29Å; W23-G25 PolarHBondContact O-N 2.84Å; W23-H287 WeakPolarHBondContact CH2-O 3.37Å; W23-E288 HydrophobicContact CE3-CG 4.38Å; W23-E288 VanDerWaalsContact CZ3-O 3.3Å; W23-E288 WeakPolarHBondContact CZ3-O 3.13Å; W23-L290 WeakPolarHBondContact CH2-O 3.36Å; W23-L290 WeakPolarHBondContact CZ3-O 3.33Å
24	A	52.3	Low	66.7	Low	52 Å²	52	60 Å²	60	43%	0.43	36%	0.356	S	S	.	.	S	Bend	trans	-89.6	95.3	172.6	0	0	0	0	0	108.5	S26	A24-S26 PolarHBondContact O-N 3.33Å
25	G	72.8	Confident	69.3	Low	22 Å²	22	57.1 Å²	57.1	23%	0.227	34%	0.336	C	S	.	.			trans	-35.4	104.3	-172.3	0	0	0	0	0	114.7	W23 S129	W23-G25 PolarHBondContact O-N 2.84Å; G25-S129 VanDerWaalsContact O-CA 3.22Å; G25-S129 WeakPolarHBondContact O-CA 3.29Å; G25-S129 WeakPolarHBondContact O-CB 3.17Å; G25-S129 PolarHBondContact O-N 3.03Å
26	S	89.9	Confident	71.9	Confident	79 Å²	79	57.8 Å²	57.8	55%	0.552	33%	0.333	S	S	*	.			trans	-80.6	144.6	161.7	54.7	0	0	0	0	108.5	A24 V127	A24-S26 PolarHBondContact O-N 3.33Å; S26-V127 CarbonylContact C-O 3.55Å; S26-V127 VanDerWaalsContact CA-O 3.29Å; S26-V127 WeakPolarHBondContact CA-O 3.38Å; S26-V127 WeakPolarHBondContact CB-O 3.32Å
27	H	94.8	Very high	74.5	Confident	34 Å²	34	56.3 Å²	56.3	16%	0.157	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	155	177.1	-65.7	-78.2	0	0	0	110.4	D53 D126 V127 L192 L196	H27-D53 WeakPolarHBondContact CA-OD1 2.95Å; H27-D53 IonicContact CE1-OD2 3.04Å; H27-D53 IonicContact CG-OD2 2.7Å; H27-D53 IonicContact ND1-OD1 3.56Å; H27-D53 IonicContact ND1-OD2 3.1Å; H27-D53 PolarHBondContact ND1-OD2 3.27Å; H27-D126 CarbonylContact O-C 3.55Å; H27-D126 WeakPolarHBondContact O-CA 3.49Å; H27-V127 HydrophobicContact CB-CG2 3.95Å; H27-V127 PolarHBondContact N-O 3.5Å; H27-V127 PolarHBondContact O-N 3.06Å; H27-L192 HydrophobicContact CB-CD1 4.41Å; H27-L196 HydrophobicContact CB-CD1 3.66Å; H27-L196 HydrophobicContact CB-CD2 4.02Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.24Å
28	S	97.1	Very high	77.2	Confident	24 Å²	24	54.4 Å²	54.4	17%	0.168	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	149	179.5	64.9	0	0	0	0	111.3	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 WeakPolarHBondContact O-CA 3.42Å; S28-D53 PolarHBondContact N-OD1 3.48Å; S28-D53 PolarHBondContact O-N 3.25Å; S28-D53 PolarHBondContact OG-OD1 2.87Å; S28-C125 WeakPolarHBondContact CA-O 3.48Å; S28-D126 WeakPolarHBondContact CB-OD1 3.48Å
29	M	98.4	Very high	79.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	122.2	165.8	-174	171.5	63.3	0	0	108.1	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.01Å; M29-Y31 HydrophobicContact CG-CE2 3.99Å; M29-Y31 HydrophobicContact SD-CE2 3.95Å; M29-Y51 CarbonylContact C-O 3.56Å; M29-Y51 WeakPolarHBondContact CA-O 3.27Å; M29-V52 HydrophobicContact CG-CG2 4.34Å; M29-F57 HydrophobicContact CG-CE1 4.36Å; M29-F57 HydrophobicContact CG-CZ 4.47Å; M29-F57 HydrophobicContact SD-CZ 4.25Å; M29-G124 CarbonylContact O-C 3.45Å; M29-G124 WeakPolarHBondContact O-CA 3.35Å; M29-C125 PolarHBondContact N-O 3.4Å; M29-C125 PolarHBondContact O-N 2.9Å; M29-C188 HydrophobicContact CE-CB 4.13Å; M29-C188 VanDerWaalsContact CE-O 3.29Å; M29-C188 WeakPolarHBondContact CE-O 3.42Å; M29-C188 WeakPolarHBondContact CE-SG 3.33Å; M29-W191 HydrophobicContact CE-CB 3.97Å; M29-W191 HydrophobicContact SD-CB 4.33Å; M29-L192 HydrophobicContact CB-CB 4.1Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 4.14Å; M29-L192 HydrophobicContact CB-CG 4.31Å; M29-Y195 HydrophobicContact SD-CD2 3.71Å; M29-Y195 HydrophobicContact SD-CE2 3.53Å; M29-Y195 VanDerWaalsContact SD-CE2 3.53Å
30	R	98.4	Very high	81.7	Confident	49 Å²	49	54.3 Å²	54.3	19%	0.185	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.2	-176.8	-56.5	-62.7	179.8	74.4	5.6	110.8	F32 G50 Y51 Y123 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.47Å; R30-F32 HydrophobicContact CB-CE2 3.64Å; R30-F32 HydrophobicContact CB-CZ 4.03Å; R30-G50 CarbonylContact O-C 3.55Å; R30-G50 WeakPolarHBondContact O-CA 3.29Å; R30-Y51 PolarHBondContact N-O 2.95Å; R30-Y51 PolarHBondContact O-N 3.43Å; R30-Y123 WeakPolarHBondContact CA-O 3.38Å; R30-D126 IonicContact CZ-OD1 3.7Å; R30-D126 IonicContact NE-OD1 3.11Å; R30-D126 PolarHBondContact NE-OD1 2.95Å; R30-D126 VanDerWaalsContact NH2-CG 3.27Å; R30-D126 IonicContact NH2-OD1 2.8Å; R30-D126 PolarHBondContact NH2-OD1 2.9Å; R30-D126 IonicContact NH2-OD2 3.37Å; R30-D126 PolarHBondContact NH2-OD2 3.35Å; R30-Y137 PolarHBondContact NH2-OH 3.2Å
31	Y	98.6	Very high	83.8	Confident	14 Å²	14	54.1 Å²	54.1	6%	0.055	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.6	170.1	-68.9	-91.1	0	0	0	109.3	M29 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.01Å; M29-Y31 HydrophobicContact CG-CE2 3.99Å; M29-Y31 HydrophobicContact SD-CE2 3.95Å; Y31-V49 WeakPolarHBondContact CA-O 3.26Å; Y31-F57 AromaticContact CE1-CZ 3.94Å; Y31-F57 HydrophobicContact CE1-CZ 3.94Å; Y31-F57 HydrophobicContact CE2-CZ 4.46Å; Y31-F57 AromaticContact CZ-CZ 3.69Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.47Å; Y31-V58 HydrophobicContact CE1-CG2 3.97Å; Y31-M122 WeakPolarHBondContact O-CA 3.34Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.44Å; Y31-Y123 HydrophobicContact CD2-CD2 4.25Å; Y31-Y123 AromaticContact CD2-CE2 3.55Å; Y31-Y123 HydrophobicContact CD2-CE2 3.55Å; Y31-Y123 AromaticContact CD2-CZ 3.92Å; Y31-Y123 HydrophobicContact CE2-CE2 4.36Å; Y31-Y123 HydrophobicContact CG-CE1 4.43Å; Y31-Y123 AromaticContact CG-CE2 3.89Å; Y31-Y123 HydrophobicContact CG-CE2 3.89Å; Y31-Y123 AromaticContact CG-CZ 3.76Å; Y31-Y123 PolarHBondContact N-O 2.84Å; Y31-Y123 PolarHBondContact O-N 3.17Å
32	F	98.8	Very high	86.2	Confident	82 Å²	82	49.2 Å²	49.2	36%	0.36	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.3	175.3	-56.6	-98.6	0	0	0	108.4	R30 A48 V49 Y51 I121 M122	R30-F32 HydrophobicContact CB-CD2 4.47Å; R30-F32 HydrophobicContact CB-CE2 3.64Å; R30-F32 HydrophobicContact CB-CZ 4.03Å; F32-A48 CarbonylContact O-C 3.54Å; F32-A48 VanDerWaalsContact O-CA 3.24Å; F32-A48 WeakPolarHBondContact O-CA 3.28Å; F32-V49 HydrophobicContact CB-CG2 3.86Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 3.05Å; F32-V49 PolarHBondContact O-N 2.9Å; F32-Y51 HydrophobicContact CD2-CD2 4.25Å; F32-Y51 HydrophobicContact CE2-CD2 4.29Å; F32-I121 CarbonylContact C-O 3.6Å; F32-I121 VanDerWaalsContact CA-O 3.28Å; F32-I121 WeakPolarHBondContact CA-O 3.18Å; F32-M122 HydrophobicContact CD1-CB 3.85Å; F32-M122 HydrophobicContact CD1-CG 3.61Å; F32-M122 HydrophobicContact CE1-CB 3.98Å; F32-M122 HydrophobicContact CE1-CG 3.29Å; F32-M122 HydrophobicContact CG-CG 4.44Å; F32-M122 HydrophobicContact CZ-CG 3.89Å
33	S	98.5	Very high	88.5	Confident	7 Å²	7	49 Å²	49	5%	0.049	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	152.4	167.2	68.2	0	0	0	0	111.1	I47 Q120 I121	S33-I47 CarbonylContact C-O 3.55Å; S33-I47 VanDerWaalsContact CA-O 3.26Å; S33-I47 WeakPolarHBondContact CA-O 3.33Å; S33-Q120 WeakPolarHBondContact O-CA 3.49Å; S33-I121 PolarHBondContact N-O 2.81Å; S33-I121 PolarHBondContact O-N 3.32Å; S33-I121 WeakPolarHBondContact OG-CB 3.29Å
34	T	98.8	Very high	90.7	Very high	44 Å²	44	46 Å²	46	27%	0.27	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	125.5	174.4	-59.6	0	0	0	0	109.2	V36 F46 I47 T118 I119 Q120	T34-V36 HydrophobicContact CG2-CG2 4.03Å; T34-F46 WeakPolarHBondContact O-CA 3.35Å; T34-I47 PolarHBondContact N-O 2.82Å; T34-I47 PolarHBondContact O-N 3.15Å; T34-T118 HydrophobicContact CG2-CG2 3.78Å; T34-I119 WeakPolarHBondContact CA-O 3.48Å; T34-Q120 HydrophobicContact CG2-CG 4.07Å
35	S	98.4	Very high	92.9	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.014	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	117.6	-179.9	-71.3	0	0	0	0	109.7	R45 F46 D98 T118 I119	S35-R45 CarbonylContact C-O 3.57Å; S35-R45 WeakPolarHBondContact CA-O 3.43Å; S35-F46 WeakPolarHBondContact OG-CD2 3.44Å; S35-D98 WeakPolarHBondContact CB-OD2 3.28Å; S35-D98 WeakPolarHBondContact OG-CB 3.42Å; S35-D98 PolarHBondContact OG-OD2 3.38Å; S35-T118 CarbonylContact O-C 3.56Å; S35-T118 VanDerWaalsContact O-CA 3.29Å; S35-T118 WeakPolarHBondContact O-CA 3.36Å; S35-I119 PolarHBondContact N-O 2.92Å; S35-I119 PolarHBondContact O-N 2.69Å
36	V	98	Very high	94.1	Very high	48 Å²	48	46.9 Å²	46.9	29%	0.291	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	116.2	-177.3	-173.8	0	0	0	0	109.4	T34 P44 R45 T118	T34-V36 HydrophobicContact CG2-CG2 4.03Å; V36-P44 CarbonylContact O-C 3.48Å; V36-P44 WeakPolarHBondContact O-CA 3.46Å; V36-P44 WeakPolarHBondContact O-CB 3.35Å; V36-R45 PolarHBondContact N-O 3.18Å; V36-R45 PolarHBondContact O-N 3.3Å; V36-T118 HydrophobicContact CG2-CG2 4.12Å
37	S	96.4	Very high	94.5	Very high	18 Å²	18	45.1 Å²	45.1	13%	0.126	27%	0.271	C	S	.	.			trans	-68.8	144.1	176.1	77.2	0	0	0	0	111	P39 S116 H117	S37-P39 WeakPolarHBondContact O-CD 3.32Å; S37-S116 PolarHBondContact O-OG 2.86Å; S37-S116 WeakPolarHBondContact OG-CA 3.37Å; S37-H117 PolarHBondContact N-O 3.27Å; S37-H117 PolarHBondContact OG-N 3.21Å; S37-H117 PolarHBondContact OG-O 3.35Å
38	R	94.1	Very high	94.7	Very high	69 Å²	69	44 Å²	44	26%	0.26	27%	0.268	S	S	.	.			trans	-126.9	72.6	-174.1	-75.2	-168.7	-71.3	-159.6	-7.4	111	G40 S41 E43 D63	R38-G40 PolarHBondContact O-N 3.04Å; R38-S41 WeakPolarHBondContact CB-OG 3.35Å; R38-S41 PolarHBondContact O-N 3.48Å; R38-S41 PolarHBondContact O-OG 3.42Å; R38-E43 VanDerWaalsContact CZ-O 3.3Å; R38-E43 PolarHBondContact NE-O 3.44Å; R38-E43 PolarHBondContact NH2-O 2.69Å; R38-D63 IonicContact CZ-OD1 3.37Å; R38-D63 IonicContact CZ-OD2 2.71Å; R38-D63 IonicContact NH1-OD1 2.73Å; R38-D63 PolarHBondContact NH1-OD1 3.28Å; R38-D63 IonicContact NH1-OD2 3.51Å; R38-D63 PolarHBondContact NH1-OD2 2.91Å; R38-D63 IonicContact NH2-OD1 3.2Å; R38-D63 PolarHBondContact NH2-OD1 2.87Å; R38-D63 IonicContact NH2-OD2 3.8Å
39	P	86.4	Confident	94.8	Very high	54 Å²	54	44.1 Å²	44.1	35%	0.351	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	127.2	179.9	-25.4	33.3	0	0	0	111.6	S37 S41 E113 G115	S37-P39 WeakPolarHBondContact O-CD 3.32Å; P39-S41 PolarHBondContact O-N 2.84Å; P39-S41 VanDerWaalsContact O-N 3.13Å; P39-S41 PolarHBondContact O-OG 2.86Å; P39-E113 WeakPolarHBondContact CB-O 3.48Å; P39-G115 WeakPolarHBondContact CG-O 3.29Å
40	G	81.9	Confident	94.8	Very high	96 Å²	96	44.1 Å²	44.1	99%	0.99	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	1	178.7	0	0	0	0	0	116.5	R38	R38-G40 PolarHBondContact O-N 3.04Å
41	S	82	Confident	94.8	Very high	86 Å²	86	45.2 Å²	45.2	60%	0.601	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.4	15.2	-177	42.6	0	0	0	0	114.2	R38 P39	R38-S41 WeakPolarHBondContact CB-OG 3.35Å; R38-S41 PolarHBondContact O-N 3.48Å; R38-S41 PolarHBondContact O-OG 3.42Å; P39-S41 PolarHBondContact O-N 2.84Å; P39-S41 VanDerWaalsContact O-N 3.13Å; P39-S41 PolarHBondContact O-OG 2.86Å
42	G	84.2	Confident	94.7	Very high	59 Å²	59	44.5 Å²	44.5	61%	0.608	27%	0.269	S	S	*	.	S	Bend	trans	111.7	-155.4	170.9	0	0	0	0	0	113.5
43	E	90.9	Very high	94.5	Very high	101 Å²	101	42 Å²	42	47%	0.472	26%	0.26	S	S	.	.	S	Bend	trans	-67.9	151	179.2	-66.9	-67	161.8	0	0	111.6	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.3Å; R38-E43 PolarHBondContact NE-O 3.44Å; R38-E43 PolarHBondContact NH2-O 2.69Å; E43-R45 PolarHBondContact O-N 2.67Å; E43-R99 IonicContact OE1-CZ 3.46Å; E43-R99 IonicContact OE1-NH1 3.58Å; E43-R99 PolarHBondContact OE1-NH1 3.44Å; E43-R99 VanDerWaalsContact OE2-CD 3.23Å; E43-R99 WeakPolarHBondContact OE2-CD 3.39Å; E43-R99 IonicContact OE2-CZ 3.8Å; E43-R99 IonicContact OE2-NE 3.79Å; E43-R99 IonicContact OE2-NH1 2.74Å; E43-R99 PolarHBondContact OE2-NH1 2.99Å
44	P	94.8	Very high	94.3	Very high	25 Å²	25	44.8 Å²	44.8	16%	0.162	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-51.8	140.9	172.6	-25.5	34.9	0	0	0	111.7	V36 R99 L102	V36-P44 CarbonylContact O-C 3.48Å; V36-P44 WeakPolarHBondContact O-CA 3.46Å; V36-P44 WeakPolarHBondContact O-CB 3.35Å; P44-R99 HydrophobicContact CG-CB 4.38Å; P44-R99 HydrophobicContact CG-CG 4.27Å; P44-L102 HydrophobicContact CB-CD1 3.66Å; P44-L102 HydrophobicContact CG-CD1 3.71Å
45	R	97.3	Very high	94.1	Very high	91 Å²	91	43.9 Å²	43.9	34%	0.343	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	128.8	170.8	-171.4	176.3	178.9	-176.9	-2	108.3	S35 V36 E43 I47 D61 D63	S35-R45 CarbonylContact C-O 3.57Å; S35-R45 WeakPolarHBondContact CA-O 3.43Å; V36-R45 PolarHBondContact N-O 3.18Å; V36-R45 PolarHBondContact O-N 3.3Å; E43-R45 PolarHBondContact O-N 2.67Å; R45-I47 HydrophobicContact CG-CG1 4.38Å; R45-D61 IonicContact CZ-OD1 2.75Å; R45-D61 IonicContact CZ-OD2 2.79Å; R45-D61 IonicContact NE-OD1 3.51Å; R45-D61 PolarHBondContact NE-OD1 2.87Å; R45-D61 IonicContact NE-OD2 3.37Å; R45-D61 IonicContact NH2-OD1 3.28Å; R45-D61 IonicContact NH2-OD2 3.75Å; R45-D61 PolarHBondContact NH2-OD2 2.78Å; R45-D63 VanDerWaalsContact CD-OD2 3.3Å; R45-D63 WeakPolarHBondContact CD-OD2 3.33Å; R45-D63 IonicContact NE-OD2 3.53Å
46	F	98.3	Very high	94	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.009	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.2	176.3	179.9	-79	0	0	0	109.7	T34 S35 A48 F60 S62 V91 Q94 S95 D98	T34-F46 WeakPolarHBondContact O-CA 3.35Å; S35-F46 WeakPolarHBondContact OG-CD2 3.44Å; F46-A48 HydrophobicContact CE1-CB 3.57Å; F46-A48 HydrophobicContact CZ-CB 3.98Å; F46-F60 AromaticContact CD1-CD1 3.72Å; F46-F60 HydrophobicContact CD1-CD1 3.72Å; F46-F60 AromaticContact CD1-CE1 3.9Å; F46-F60 HydrophobicContact CD1-CE1 3.9Å; F46-F60 HydrophobicContact CE1-CD1 4.04Å; F46-F60 HydrophobicContact CE1-CE1 4.49Å; F46-S62 PolarHBondContact N-OG 3.33Å; F46-S62 PolarHBondContact O-N 2.8Å; F46-S62 PolarHBondContact O-OG 2.03Å; F46-V91 HydrophobicContact CD1-CG2 4.33Å; F46-V91 HydrophobicContact CE1-CG2 3.37Å; F46-V91 HydrophobicContact CZ-CG2 3.95Å; F46-Q94 HydrophobicContact CE2-CB 4.39Å; F46-Q94 HydrophobicContact CE2-CG 4.01Å; F46-Q94 HydrophobicContact CZ-CB 4.24Å; F46-Q94 HydrophobicContact CZ-CG 4.07Å; F46-S95 WeakPolarHBondContact CB-OG 3.25Å; F46-S95 VanDerWaalsContact CD2-CA 3.42Å; F46-D98 HydrophobicContact CD2-CB 4.41Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.4Å
47	I	98.6	Very high	94	Very high	43 Å²	43	43.8 Å²	43.8	22%	0.221	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	134.1	173.5	-57.7	174.9	0	0	0	107.6	S33 T34 R45 V49 F60	S33-I47 CarbonylContact C-O 3.55Å; S33-I47 VanDerWaalsContact CA-O 3.26Å; S33-I47 WeakPolarHBondContact CA-O 3.33Å; T34-I47 PolarHBondContact N-O 2.82Å; T34-I47 PolarHBondContact O-N 3.15Å; R45-I47 HydrophobicContact CG-CG1 4.38Å; I47-V49 HydrophobicContact CG2-CG1 4.46Å; I47-F60 WeakPolarHBondContact CA-O 3.49Å
48	A	98.6	Very high	94.1	Very high	11 Å²	11	43 Å²	43	9%	0.091	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	145	168.7	0	0	0	0	0	111.1	F32 F46 R59 F60 V91	F32-A48 CarbonylContact O-C 3.54Å; F32-A48 VanDerWaalsContact O-CA 3.24Å; F32-A48 WeakPolarHBondContact O-CA 3.28Å; F46-A48 HydrophobicContact CE1-CB 3.57Å; F46-A48 HydrophobicContact CZ-CB 3.98Å; A48-R59 CarbonylContact O-C 3.55Å; A48-R59 WeakPolarHBondContact O-CA 3.43Å; A48-F60 HydrophobicContact CB-CB 4.45Å; A48-F60 PolarHBondContact N-O 3.25Å; A48-F60 PolarHBondContact O-N 3.43Å; A48-V91 HydrophobicContact CB-CG2 3.75Å
49	V	98.8	Very high	94.3	Very high	26 Å²	26	43.2 Å²	43.2	16%	0.158	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	143.8	178.2	-63.5	0	0	0	0	109.7	Y31 F32 I47 Y51 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.26Å; F32-V49 HydrophobicContact CB-CG2 3.86Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 3.05Å; F32-V49 PolarHBondContact O-N 2.9Å; I47-V49 HydrophobicContact CG2-CG1 4.46Å; V49-Y51 HydrophobicContact CB-CE2 4.02Å; V49-Y51 HydrophobicContact CG2-CD2 4.32Å; V49-Y51 HydrophobicContact CG2-CE2 3.77Å; V49-V58 WeakPolarHBondContact CA-O 3.18Å; V49-R59 HydrophobicContact CG1-CB 4.46Å; V49-R59 HydrophobicContact CG1-CG 4.19Å
50	G	98.5	Very high	94.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	138.2	175.6	0	0	0	0	0	110.6	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.55Å; R30-G50 WeakPolarHBondContact O-CA 3.29Å; G50-Q56 WeakPolarHBondContact O-CA 3.33Å; G50-F57 WeakPolarHBondContact O-CD1 3.03Å; G50-F57 PolarHBondContact O-N 3.45Å; G50-V58 PolarHBondContact N-O 2.91Å; G50-V58 VanDerWaalsContact N-O 3.08Å; G50-V58 PolarHBondContact O-N 2.81Å
51	Y	98.3	Very high	95.6	Very high	71 Å²	71	37.3 Å²	37.3	28%	0.278	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.3	178.3	-74.2	-102.3	0	0	0	110.4	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.56Å; M29-Y51 WeakPolarHBondContact CA-O 3.27Å; R30-Y51 PolarHBondContact N-O 2.95Å; R30-Y51 PolarHBondContact O-N 3.43Å; F32-Y51 HydrophobicContact CD2-CD2 4.25Å; F32-Y51 HydrophobicContact CE2-CD2 4.29Å; V49-Y51 HydrophobicContact CB-CE2 4.02Å; V49-Y51 HydrophobicContact CG2-CD2 4.32Å; V49-Y51 HydrophobicContact CG2-CE2 3.77Å; Y51-T55 WeakPolarHBondContact CA-O 3.41Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; Y51-Q56 HydrophobicContact CD1-CB 3.98Å; Y51-Q56 VanDerWaalsContact CD1-N 3.29Å; Y51-Q56 HydrophobicContact CD2-CG 4.42Å; Y51-Q56 HydrophobicContact CE1-CB 3.49Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.49Å; Y51-Q56 HydrophobicContact CE1-CG 4.2Å; Y51-Q56 HydrophobicContact CE2-CB 4.15Å; Y51-Q56 HydrophobicContact CE2-CG 3.93Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å
52	V	97.8	Very high	96.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	119.6	156.5	177.1	0	0	0	0	105.9	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 WeakPolarHBondContact O-CA 3.42Å; M29-V52 HydrophobicContact CG-CG2 4.34Å; V52-D54 PolarHBondContact O-N 3Å; V52-T55 PolarHBondContact N-O 2.97Å; V52-T55 WeakPolarHBondContact O-CB 3.36Å; V52-T55 PolarHBondContact O-N 3.33Å; V52-F57 HydrophobicContact CG2-CD1 3.97Å; V52-F57 HydrophobicContact CG2-CE1 3.99Å; V52-W75 HydrophobicContact CB-CH2 4.42Å; V52-W75 HydrophobicContact CG2-CH2 3.9Å; V52-W75 HydrophobicContact CG2-CZ2 4.48Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.31Å; V52-Y195 HydrophobicContact CG2-CD2 3.96Å; V52-Y195 HydrophobicContact CG2-CG 4.49Å; V52-L196 HydrophobicContact CG1-CD2 4.1Å; V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.13Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.08Å
53	D	94.7	Very high	96.9	Very high	30 Å²	30	34.9 Å²	34.9	16%	0.16	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	-123.9	-167	-53.8	-41	0	0	0	110.5	H27 S28 T55	H27-D53 WeakPolarHBondContact CA-OD1 2.95Å; H27-D53 IonicContact CE1-OD2 3.04Å; H27-D53 IonicContact CG-OD2 2.7Å; H27-D53 IonicContact ND1-OD1 3.56Å; H27-D53 IonicContact ND1-OD2 3.1Å; H27-D53 PolarHBondContact ND1-OD2 3.27Å; S28-D53 PolarHBondContact N-OD1 3.48Å; S28-D53 PolarHBondContact O-N 3.25Å; S28-D53 PolarHBondContact OG-OD1 2.87Å; D53-T55 VanDerWaalsContact C-N 3.33Å
54	D	92.9	Very high	97.2	Very high	65 Å²	65	31.5 Å²	31.5	35%	0.348	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	11.1	179.6	-53.4	-59.9	0	0	0	113.5	V52 A235 F265	V52-D54 PolarHBondContact O-N 3Å; D54-A235 HydrophobicContact CB-CB 4.19Å; D54-A235 VanDerWaalsContact CG-CB 3.44Å; D54-A235 VanDerWaalsContact OD2-CB 3.27Å; D54-A235 WeakPolarHBondContact OD2-CB 3.41Å; D54-A235 PolarHBondContact OD2-N 3.19Å; D54-F265 HydrophobicContact CB-CE2 3.79Å; D54-F265 HydrophobicContact CB-CZ 3.54Å
55	T	94.6	Very high	97.2	Very high	25 Å²	25	35.7 Å²	35.7	15%	0.153	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	113.6	-173.8	-54.7	0	0	0	0	112.1	Y51 V52 D53 F57 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.41Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; V52-T55 PolarHBondContact N-O 2.97Å; V52-T55 WeakPolarHBondContact O-CB 3.36Å; V52-T55 PolarHBondContact O-N 3.33Å; D53-T55 VanDerWaalsContact C-N 3.33Å; T55-F57 PolarHBondContact O-N 3.33Å; T55-L203 HydrophobicContact CG2-CD2 4.15Å; T55-Y233 PolarHBondContact OG1-OH 2.89Å; T55-Y233 VanDerWaalsContact OG1-OH 3.09Å
56	Q	96.4	Very high	97	Very high	48 Å²	48	33.9 Å²	33.9	22%	0.224	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	128.9	175	-166.4	177.8	3.5	0	0	110.5	G50 Y51 V58 R72	G50-Q56 WeakPolarHBondContact O-CA 3.33Å; Y51-Q56 HydrophobicContact CD1-CB 3.98Å; Y51-Q56 VanDerWaalsContact CD1-N 3.29Å; Y51-Q56 HydrophobicContact CD2-CG 4.42Å; Y51-Q56 HydrophobicContact CE1-CB 3.49Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.49Å; Y51-Q56 HydrophobicContact CE1-CG 4.2Å; Y51-Q56 HydrophobicContact CE2-CB 4.15Å; Y51-Q56 HydrophobicContact CE2-CG 3.93Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å; Q56-V58 PolarHBondContact NE2-O 3.49Å; Q56-R72 HydrophobicContact CB-CB 4.47Å; Q56-R72 HydrophobicContact CG-CB 4.1Å; Q56-R72 HydrophobicContact CG-CG 4.32Å; Q56-R72 CarbonylContact O-C 3.59Å
57	F	97.7	Very high	96.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	-23	179.9	74.5	-82.6	0	0	0	114.1	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.36Å; M29-F57 HydrophobicContact CG-CZ 4.47Å; M29-F57 HydrophobicContact SD-CZ 4.25Å; Y31-F57 AromaticContact CE1-CZ 3.94Å; Y31-F57 HydrophobicContact CE1-CZ 3.94Å; Y31-F57 HydrophobicContact CE2-CZ 4.46Å; Y31-F57 AromaticContact CZ-CZ 3.69Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.47Å; G50-F57 WeakPolarHBondContact O-CD1 3.03Å; G50-F57 PolarHBondContact O-N 3.45Å; V52-F57 HydrophobicContact CG2-CD1 3.97Å; V52-F57 HydrophobicContact CG2-CE1 3.99Å; T55-F57 PolarHBondContact O-N 3.33Å; F57-R72 PolarHBondContact O-N 3.45Å; F57-A73 HydrophobicContact CB-CB 4.16Å; F57-W75 HydrophobicContact CB-CH2 3.15Å; F57-W75 HydrophobicContact CB-CZ2 3.37Å; F57-W75 HydrophobicContact CB-CZ3 3.99Å; F57-W75 HydrophobicContact CD1-CH2 4.12Å; F57-W75 AromaticContact CD2-CH2 3.87Å; F57-W75 HydrophobicContact CD2-CH2 3.87Å; F57-W75 HydrophobicContact CD2-CZ3 4.17Å; F57-W75 AromaticContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CH2 3.48Å; F57-W75 VanDerWaalsContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CZ2 4.16Å; F57-W75 HydrophobicContact CG-CZ3 4.23Å; F57-I76 HydrophobicContact CD2-CB 4.49Å; F57-I76 HydrophobicContact CD2-CD1 4.01Å; F57-I76 HydrophobicContact CD2-CG1 4.05Å; F57-I76 HydrophobicContact CE2-CD1 4.39Å; F57-I76 VanDerWaalsContact O-CG2 3.3Å; F57-I76 WeakPolarHBondContact O-CG2 3.1Å; F57-Y195 HydrophobicContact CD2-CE2 4.47Å; F57-Y195 HydrophobicContact CE2-CD2 4.25Å; F57-Y195 AromaticContact CE2-CE2 3.67Å; F57-Y195 HydrophobicContact CE2-CE2 3.67Å; F57-Y195 HydrophobicContact CZ-CD2 4.32Å; F57-Y195 AromaticContact CZ-CE2 3.85Å; F57-Y195 HydrophobicContact CZ-CE2 3.85Å
58	V	98.4	Very high	96.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	154.4	176.3	-71.9	0	0	0	0	112.9	Y31 V49 G50 Q56 M69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.97Å; V49-V58 WeakPolarHBondContact CA-O 3.18Å; G50-V58 PolarHBondContact N-O 2.91Å; G50-V58 VanDerWaalsContact N-O 3.08Å; G50-V58 PolarHBondContact O-N 2.81Å; Q56-V58 PolarHBondContact NE2-O 3.49Å; V58-M69 HydrophobicContact CB-CG 4.09Å; V58-M69 HydrophobicContact CB-SD 3.71Å; V58-M69 HydrophobicContact CG1-CG 4.14Å; V58-M69 HydrophobicContact CG1-SD 4.41Å; V58-M69 HydrophobicContact CG2-SD 4.15Å; V58-E70 WeakPolarHBondContact CA-O 3.3Å; V58-I76 HydrophobicContact CG1-CG1 4.48Å; V58-W84 HydrophobicContact CG1-CH2 4.15Å; V58-W84 HydrophobicContact CG1-CZ3 3.91Å
59	R	98.4	Very high	96.8	Very high	74 Å²	74	43.3 Å²	43.3	28%	0.279	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	143.1	173.2	179.5	172.7	170.5	116.2	5.6	111.5	A48 V49 D61 M69 E70 R72	A48-R59 CarbonylContact O-C 3.55Å; A48-R59 WeakPolarHBondContact O-CA 3.43Å; V49-R59 HydrophobicContact CG1-CB 4.46Å; V49-R59 HydrophobicContact CG1-CG 4.19Å; R59-D61 IonicContact NH2-OD2 3.7Å; R59-D61 PolarHBondContact NH2-OD2 3.48Å; R59-D61 VanDerWaalsContact NH2-OD2 3.11Å; R59-M69 VanDerWaalsContact C-SD 3.54Å; R59-E70 PolarHBondContact N-O 3Å; R59-E70 PolarHBondContact O-N 2.98Å; R59-R72 HydrophobicContact CB-CG 3.88Å
60	F	98.6	Very high	96.7	Very high	5 Å²	5	44.9 Å²	44.9	2%	0.022	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	143.5	166.2	179.8	-86.1	0	0	0	110.1	F46 I47 A48 Q67 R68 M69 V91 K92	F46-F60 AromaticContact CD1-CD1 3.72Å; F46-F60 HydrophobicContact CD1-CD1 3.72Å; F46-F60 AromaticContact CD1-CE1 3.9Å; F46-F60 HydrophobicContact CD1-CE1 3.9Å; F46-F60 HydrophobicContact CE1-CD1 4.04Å; F46-F60 HydrophobicContact CE1-CE1 4.49Å; I47-F60 WeakPolarHBondContact CA-O 3.49Å; A48-F60 HydrophobicContact CB-CB 4.45Å; A48-F60 PolarHBondContact N-O 3.25Å; A48-F60 PolarHBondContact O-N 3.43Å; F60-Q67 VanDerWaalsContact CE2-C 3.47Å; F60-Q67 HydrophobicContact CE2-CB 4.47Å; F60-Q67 WeakPolarHBondContact CE2-O 3.28Å; F60-Q67 HydrophobicContact CZ-CB 4.41Å; F60-R68 WeakPolarHBondContact CD2-O 3.46Å; F60-M69 HydrophobicContact CB-CE 4.18Å; F60-M69 HydrophobicContact CB-SD 3.98Å; F60-V91 HydrophobicContact CB-CG1 4.15Å; F60-V91 HydrophobicContact CB-CG2 3.87Å; F60-V91 HydrophobicContact CD1-CG1 4.23Å; F60-V91 HydrophobicContact CD1-CG2 3.91Å; F60-V91 HydrophobicContact CD2-CG1 3.36Å; F60-V91 HydrophobicContact CD2-CG2 4.38Å; F60-V91 HydrophobicContact CE2-CG1 3.69Å; F60-V91 HydrophobicContact CG-CB 4.41Å; F60-V91 HydrophobicContact CG-CG1 3.66Å; F60-V91 HydrophobicContact CG-CG2 3.8Å; F60-V91 HydrophobicContact CZ-CG1 4.28Å; F60-K92 HydrophobicContact CE2-CG 4.26Å; F60-K92 HydrophobicContact CZ-CG 4.1Å
61	D	98.3	Very high	96.7	Very high	21 Å²	21	47.1 Å²	47.1	11%	0.112	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	122.6	173.4	-163.7	-32	0	0	0	109.1	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 2.75Å; R45-D61 IonicContact CZ-OD2 2.79Å; R45-D61 IonicContact NE-OD1 3.51Å; R45-D61 PolarHBondContact NE-OD1 2.87Å; R45-D61 IonicContact NE-OD2 3.37Å; R45-D61 IonicContact NH2-OD1 3.28Å; R45-D61 IonicContact NH2-OD2 3.75Å; R45-D61 PolarHBondContact NH2-OD2 2.78Å; R59-D61 IonicContact NH2-OD2 3.7Å; R59-D61 PolarHBondContact NH2-OD2 3.48Å; R59-D61 VanDerWaalsContact NH2-OD2 3.11Å; D61-D63 PolarHBondContact O-N 3.08Å; D61-D63 PolarHBondContact OD1-N 2.95Å; D61-D63 VanDerWaalsContact OD1-N 3.16Å; D61-A64 HydrophobicContact CB-CB 4.17Å; D61-A64 WeakPolarHBondContact O-CB 3.3Å; D61-A64 PolarHBondContact O-N 2.92Å; D61-A64 VanDerWaalsContact O-N 3.13Å
62	S	97.2	Very high	96.6	Very high	16 Å²	16	48.7 Å²	48.7	11%	0.112	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.8	-178.8	64.3	0	0	0	0	113.2	F46 A64 Q67	F46-S62 PolarHBondContact N-OG 3.33Å; F46-S62 PolarHBondContact O-N 2.8Å; F46-S62 PolarHBondContact O-OG 2.03Å; S62-A64 VanDerWaalsContact C-N 3.34Å; S62-Q67 PolarHBondContact O-NE2 2.88Å
63	D	96.1	Very high	96.5	Very high	78 Å²	78	49 Å²	49	42%	0.417	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-8.3	179.9	-69.9	-0.1	0	0	0	112.1	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.37Å; R38-D63 IonicContact CZ-OD2 2.71Å; R38-D63 IonicContact NH1-OD1 2.73Å; R38-D63 PolarHBondContact NH1-OD1 3.28Å; R38-D63 IonicContact NH1-OD2 3.51Å; R38-D63 PolarHBondContact NH1-OD2 2.91Å; R38-D63 IonicContact NH2-OD1 3.2Å; R38-D63 PolarHBondContact NH2-OD1 2.87Å; R38-D63 IonicContact NH2-OD2 3.8Å; R45-D63 VanDerWaalsContact CD-OD2 3.3Å; R45-D63 WeakPolarHBondContact CD-OD2 3.33Å; R45-D63 IonicContact NE-OD2 3.53Å; D61-D63 PolarHBondContact O-N 3.08Å; D61-D63 PolarHBondContact OD1-N 2.95Å; D61-D63 VanDerWaalsContact OD1-N 3.16Å
64	A	96.3	Very high	96.6	Very high	31 Å²	31	52.5 Å²	52.5	26%	0.256	29%	0.285	S	S	.	.	S	Bend	trans	-70.5	144.2	174.9	0	0	0	0	0	111.2	D61 S62 S66 Q67	D61-A64 HydrophobicContact CB-CB 4.17Å; D61-A64 WeakPolarHBondContact O-CB 3.3Å; D61-A64 PolarHBondContact O-N 2.92Å; D61-A64 VanDerWaalsContact O-N 3.13Å; S62-A64 VanDerWaalsContact C-N 3.34Å; A64-S66 VanDerWaalsContact C-N 3.28Å; A64-S66 PolarHBondContact O-N 3.41Å; A64-Q67 WeakPolarHBondContact O-CG 3.49Å; A64-Q67 PolarHBondContact O-N 3.21Å
65	A	95.3	Very high	96.7	Very high	112 Å²	112	50.1 Å²	50.1	93%	0.926	27%	0.271	S	S	*	.	S	Bend	trans	-62.9	-32.3	-179	0	0	0	0	0	113.6
66	S	92.8	Very high	96.8	Very high	54 Å²	54	48.9 Å²	48.9	38%	0.378	26%	0.263	S	S	.	.	S	Bend	trans	-71.6	-35.3	178.8	59.6	0	0	0	0	112.1	A64 R68 E70	A64-S66 VanDerWaalsContact C-N 3.28Å; A64-S66 PolarHBondContact O-N 3.41Å; S66-R68 WeakPolarHBondContact O-CG 3.15Å; S66-R68 PolarHBondContact O-N 3.29Å; S66-E70 PolarHBondContact OG-OE1 3.06Å
67	Q	95.5	Very high	96.8	Very high	90 Å²	90	52.5 Å²	52.5	42%	0.421	28%	0.28	S	S	.	.			trans	40.1	50.8	-167.5	-58.9	-172.9	-15	0	0	111.7	F60 S62 A64 K92	F60-Q67 VanDerWaalsContact CE2-C 3.47Å; F60-Q67 HydrophobicContact CE2-CB 4.47Å; F60-Q67 WeakPolarHBondContact CE2-O 3.28Å; F60-Q67 HydrophobicContact CZ-CB 4.41Å; S62-Q67 PolarHBondContact O-NE2 2.88Å; A64-Q67 WeakPolarHBondContact O-CG 3.49Å; A64-Q67 PolarHBondContact O-N 3.21Å; Q67-K92 WeakPolarHBondContact O-CE 3.32Å; Q67-K92 PolarHBondContact O-NZ 2.8Å
68	R	97.6	Very high	96.6	Very high	148 Å²	148	58.2 Å²	58.2	56%	0.558	31%	0.307	S	S	*	.	S	Bend	trans	-125.2	156.4	178	-76.2	-179.4	179.4	-153.5	-5.2	110.1	F60 S66 E70 T88	F60-R68 WeakPolarHBondContact CD2-O 3.46Å; S66-R68 WeakPolarHBondContact O-CG 3.15Å; S66-R68 PolarHBondContact O-N 3.29Å; R68-E70 PolarHBondContact O-N 2.94Å; R68-T88 HydrophobicContact CB-CG2 4.45Å; R68-T88 HydrophobicContact CG-CG2 4.16Å
69	M	98.1	Very high	96.5	Very high	15 Å²	15	58.7 Å²	58.7	7%	0.074	31%	0.309	C	S	.	.			trans	-67.6	128.2	167	-171.3	63	79.1	0	0	108.4	V58 R59 F60 W84 E87 T88 V91	V58-M69 HydrophobicContact CB-CG 4.09Å; V58-M69 HydrophobicContact CB-SD 3.71Å; V58-M69 HydrophobicContact CG1-CG 4.14Å; V58-M69 HydrophobicContact CG1-SD 4.41Å; V58-M69 HydrophobicContact CG2-SD 4.15Å; R59-M69 VanDerWaalsContact C-SD 3.54Å; F60-M69 HydrophobicContact CB-CE 4.18Å; F60-M69 HydrophobicContact CB-SD 3.98Å; M69-W84 HydrophobicContact CB-CE3 4.31Å; M69-W84 HydrophobicContact CG-CE3 4.24Å; M69-W84 HydrophobicContact CG-CZ3 4.09Å; M69-E87 HydrophobicContact CB-CB 4.07Å; M69-E87 HydrophobicContact CE-CB 4.49Å; M69-E87 HydrophobicContact CG-CB 4.03Å; M69-T88 PolarHBondContact N-OG1 2.8Å; M69-V91 HydrophobicContact CE-CB 3.91Å; M69-V91 HydrophobicContact CE-CG1 4.06Å; M69-V91 HydrophobicContact CE-CG2 4.1Å
70	E	97.9	Very high	96.4	Very high	60 Å²	60	63.9 Å²	63.9	28%	0.28	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141.4	-175.4	-62.1	179.4	173.4	0	0	111.2	V58 R59 S66 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.3Å; R59-E70 PolarHBondContact N-O 3Å; R59-E70 PolarHBondContact O-N 2.98Å; S66-E70 PolarHBondContact OG-OE1 3.06Å; R68-E70 PolarHBondContact O-N 2.94Å; E70-R72 IonicContact OE2-CZ 2.82Å; E70-R72 IonicContact OE2-NH1 3.82Å; E70-R72 PolarHBondContact OE2-NH1 3.45Å; E70-R72 VanDerWaalsContact OE2-NH1 3.1Å; E70-R72 IonicContact OE2-NH2 3.74Å; E70-R72 PolarHBondContact OE2-NH2 3.07Å
71	P	97.9	Very high	96.2	Very high	46 Å²	46	67.9 Å²	67.9	30%	0.299	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	147.6	174.3	28.1	-34	0	0	0	111.2	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.71Å; P71-E77 HydrophobicContact CB-CG 3.77Å; P71-E77 HydrophobicContact CG-CG 4.02Å; P71-W84 HydrophobicContact CB-CH2 3.58Å; P71-W84 HydrophobicContact CB-CZ2 4Å; P71-W84 HydrophobicContact CB-CZ3 4.41Å; P71-W84 HydrophobicContact CG-CH2 4.2Å; P71-W84 HydrophobicContact CG-CZ2 4.41Å
72	R	96.9	Very high	96.2	Very high	104 Å²	104	73 Å²	73	39%	0.392	38%	0.378	S	S	.	.			trans	-129.4	-0.6	173.1	-64.7	-63.3	-179.3	-98.3	2.4	113.5	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.47Å; Q56-R72 HydrophobicContact CG-CB 4.1Å; Q56-R72 HydrophobicContact CG-CG 4.32Å; Q56-R72 CarbonylContact O-C 3.59Å; F57-R72 PolarHBondContact O-N 3.45Å; R59-R72 HydrophobicContact CB-CG 3.88Å; E70-R72 IonicContact OE2-CZ 2.82Å; E70-R72 IonicContact OE2-NH1 3.82Å; E70-R72 PolarHBondContact OE2-NH1 3.45Å; E70-R72 VanDerWaalsContact OE2-NH1 3.1Å; E70-R72 IonicContact OE2-NH2 3.74Å; E70-R72 PolarHBondContact OE2-NH2 3.07Å
73	A	95.3	Very high	96.2	Very high	6 Å²	6	73 Å²	73	5%	0.05	38%	0.376	C	S	.	.	S	Bend	trans	-136.5	143.7	173.7	0	0	0	0	0	111.1	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.16Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.15Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 3.98Å; A73-W75 PolarHBondContact O-N 3.34Å; A73-I76 WeakPolarHBondContact O-CG2 3.05Å; A73-I76 PolarHBondContact O-N 2.99Å
74	P	95.7	Very high	96.3	Very high	104 Å²	104	71.1 Å²	71.1	68%	0.675	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-59.3	-36.3	-177.8	-26.2	34.8	0	0	0	113.9	I76 E77	P74-I76 PolarHBondContact O-N 2.69Å; P74-E77 WeakPolarHBondContact O-CB 3.39Å; P74-E77 PolarHBondContact O-N 3.45Å; P74-E77 VanDerWaalsContact O-N 3.15Å
75	W	95.4	Very high	96.4	Very high	15 Å²	15	73.5 Å²	73.5	6%	0.057	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-70.4	-14.7	-176.1	53.8	-105.7	0	0	0	114.2	V52 F57 A73 Q78 Y195 L203	V52-W75 HydrophobicContact CB-CH2 4.42Å; V52-W75 HydrophobicContact CG2-CH2 3.9Å; V52-W75 HydrophobicContact CG2-CZ2 4.48Å; F57-W75 HydrophobicContact CB-CH2 3.15Å; F57-W75 HydrophobicContact CB-CZ2 3.37Å; F57-W75 HydrophobicContact CB-CZ3 3.99Å; F57-W75 HydrophobicContact CD1-CH2 4.12Å; F57-W75 AromaticContact CD2-CH2 3.87Å; F57-W75 HydrophobicContact CD2-CH2 3.87Å; F57-W75 HydrophobicContact CD2-CZ3 4.17Å; F57-W75 AromaticContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CH2 3.48Å; F57-W75 VanDerWaalsContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CZ2 4.16Å; F57-W75 HydrophobicContact CG-CZ3 4.23Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.15Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 3.98Å; A73-W75 PolarHBondContact O-N 3.34Å; W75-Q78 WeakPolarHBondContact O-CG 3.08Å; W75-Q78 PolarHBondContact O-NE2 3.42Å; W75-Y195 HydrophobicContact CH2-CG 4.28Å; W75-Y195 AromaticContact CZ3-CD1 3.88Å; W75-Y195 HydrophobicContact CZ3-CD1 3.88Å; W75-Y195 HydrophobicContact CZ3-CD2 4.39Å; W75-Y195 AromaticContact CZ3-CG 3.73Å; W75-Y195 HydrophobicContact CZ3-CG 3.73Å; W75-L203 HydrophobicContact CD2-CD1 4.45Å; W75-L203 HydrophobicContact CH2-CD1 4.31Å; W75-L203 HydrophobicContact CZ2-CD1 3.85Å; W75-L203 HydrophobicContact CZ2-CD2 4.07Å; W75-L203 HydrophobicContact CZ2-CG 4.35Å
76	I	97.2	Very high	96.5	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-89.8	-20.2	173.6	-162.8	72.2	0	0	0	111.9	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.49Å; F57-I76 HydrophobicContact CD2-CD1 4.01Å; F57-I76 HydrophobicContact CD2-CG1 4.05Å; F57-I76 HydrophobicContact CE2-CD1 4.39Å; F57-I76 VanDerWaalsContact O-CG2 3.3Å; F57-I76 WeakPolarHBondContact O-CG2 3.1Å; V58-I76 HydrophobicContact CG1-CG1 4.48Å; P71-I76 HydrophobicContact CB-CG2 3.71Å; A73-I76 WeakPolarHBondContact O-CG2 3.05Å; A73-I76 PolarHBondContact O-N 2.99Å; P74-I76 PolarHBondContact O-N 2.69Å; I76-Q78 PolarHBondContact O-N 2.96Å; I76-Q78 VanDerWaalsContact O-N 3.14Å; I76-E79 HydrophobicContact CD1-CG 3.69Å; I76-E79 HydrophobicContact CG1-CG 4.2Å; I76-E79 WeakPolarHBondContact O-CB 3.29Å; I76-E79 WeakPolarHBondContact O-CG 3.42Å; I76-E79 PolarHBondContact O-N 2.92Å; I76-Y83 HydrophobicContact CD1-CE1 4.16Å; I76-Y83 HydrophobicContact CG1-CE1 4.13Å; I76-W84 HydrophobicContact CB-CH2 4.48Å; I76-W84 HydrophobicContact CG1-CH2 3.82Å; I76-W84 HydrophobicContact CG1-CZ2 4.07Å; I76-W84 HydrophobicContact CG2-CH2 3.97Å; I76-W84 HydrophobicContact CG2-CZ2 4.37Å; I76-W84 WeakPolarHBondContact O-CZ2 3.3Å; I76-Y195 HydrophobicContact CD1-CD1 3.8Å; I76-Y195 HydrophobicContact CD1-CE1 3.34Å
77	E	95.7	Very high	96.7	Very high	123 Å²	123	70.5 Å²	70.5	58%	0.575	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.6	-176.8	-65.2	-178.6	-171.9	0	0	113.4	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.77Å; P71-E77 HydrophobicContact CG-CG 4.02Å; P74-E77 WeakPolarHBondContact O-CB 3.39Å; P74-E77 PolarHBondContact O-N 3.45Å; P74-E77 VanDerWaalsContact O-N 3.15Å; E77-E79 PolarHBondContact O-N 3.26Å
78	Q	93.8	Very high	96.8	Very high	120 Å²	120	66.8 Å²	66.8	56%	0.561	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-10.9	175.4	68.5	-173.7	-27.4	0	0	114	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.08Å; W75-Q78 PolarHBondContact O-NE2 3.42Å; I76-Q78 PolarHBondContact O-N 2.96Å; I76-Q78 VanDerWaalsContact O-N 3.14Å; Q78-N198 PolarHBondContact NE2-ND2 2.74Å
79	E	96.2	Very high	96.9	Very high	11 Å²	11	67 Å²	67	5%	0.051	32%	0.317	C	S	.	.	S	Bend	trans	-64	143.3	176.9	-71.3	-59.9	159.4	0	0	111.6	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.69Å; I76-E79 HydrophobicContact CG1-CG 4.2Å; I76-E79 WeakPolarHBondContact O-CB 3.29Å; I76-E79 WeakPolarHBondContact O-CG 3.42Å; I76-E79 PolarHBondContact O-N 2.92Å; E77-E79 PolarHBondContact O-N 3.26Å; E79-Y83 HydrophobicContact CB-CD1 3.59Å; E79-Y83 HydrophobicContact CB-CE1 4.25Å; E79-Y83 HydrophobicContact CB-CG 3.85Å; E79-Y83 HydrophobicContact CG-CD1 4.02Å; E79-Y83 HydrophobicContact CG-CE1 4.29Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; E79-W84 PolarHBondContact O-NE1 2.95Å; E79-R194 VanDerWaalsContact CD-NH2 3.32Å; E79-R194 IonicContact OE1-CZ 2.69Å; E79-R194 IonicContact OE1-NE 3.69Å; E79-R194 PolarHBondContact OE1-NE 3.46Å; E79-R194 IonicContact OE1-NH2 3.03Å; E79-R194 PolarHBondContact OE1-NH2 3.22Å; E79-R194 VanDerWaalsContact OE1-NH2 3.11Å; E79-R194 IonicContact OE2-CZ 2.73Å; E79-R194 IonicContact OE2-NE 3.83Å; E79-R194 IonicContact OE2-NH2 3.68Å; E79-R194 PolarHBondContact OE2-NH2 3.02Å; E79-N198 PolarHBondContact OE1-ND2 3.04Å
80	R	95.8	Very high	96.8	Very high	183 Å²	183	69.8 Å²	69.8	69%	0.691	33%	0.332	S	S	*	.			trans	-70.6	158.6	-173.9	-59.5	-173.2	178.1	-177.5	0.2	111.7	E82 Y83	R80-E82 WeakPolarHBondContact CB-OE2 3.3Å; R80-E82 PolarHBondContact O-N 3.32Å; R80-Y83 VanDerWaalsContact O-CB 3.31Å; R80-Y83 WeakPolarHBondContact O-CB 3.49Å; R80-Y83 PolarHBondContact O-N 3.07Å
81	P	96.4	Very high	96.8	Very high	89 Å²	89	67.4 Å²	67.4	58%	0.578	32%	0.322	S	S	*	.	H	α-helix	trans	-51.8	-33.9	178.5	-28.8	37	0	0	0	114.4	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.94Å; P81-W84 PolarHBondContact O-N 2.96Å; P81-D85 PolarHBondContact O-N 2.8Å
82	E	97.4	Very high	96.8	Very high	128 Å²	128	69.1 Å²	69.1	60%	0.598	32%	0.324	S	S	*	.	H	α-helix	trans	-62.9	-32.5	179.5	-60.2	78.3	-167.7	0	0	112.8	R80 Q86	R80-E82 WeakPolarHBondContact CB-OE2 3.3Å; R80-E82 PolarHBondContact O-N 3.32Å; E82-Q86 VanDerWaalsContact O-CB 3.29Å; E82-Q86 WeakPolarHBondContact O-CB 3.21Å; E82-Q86 PolarHBondContact O-N 2.68Å
83	Y	97.3	Very high	96.8	Very high	15 Å²	15	66.9 Å²	66.9	6%	0.059	33%	0.328	C	S	.	.	H	α-helix	trans	-62.9	-52	173.7	170.4	-96.9	0	0	0	110.2	I76 E79 R80 P81 D85 Q86 E87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.16Å; I76-Y83 HydrophobicContact CG1-CE1 4.13Å; E79-Y83 HydrophobicContact CB-CD1 3.59Å; E79-Y83 HydrophobicContact CB-CE1 4.25Å; E79-Y83 HydrophobicContact CB-CG 3.85Å; E79-Y83 HydrophobicContact CG-CD1 4.02Å; E79-Y83 HydrophobicContact CG-CE1 4.29Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; R80-Y83 VanDerWaalsContact O-CB 3.31Å; R80-Y83 WeakPolarHBondContact O-CB 3.49Å; R80-Y83 PolarHBondContact O-N 3.07Å; P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.94Å; Y83-D85 VanDerWaalsContact C-N 3.32Å; Y83-D85 PolarHBondContact O-N 3.17Å; Y83-Q86 PolarHBondContact O-N 3.37Å; Y83-Q86 VanDerWaalsContact O-N 3.16Å; Y83-E87 HydrophobicContact CD1-CG 4.35Å; Y83-E87 HydrophobicContact CD2-CG 4.1Å; Y83-E87 HydrophobicContact CE1-CG 3.96Å; Y83-E87 HydrophobicContact CE2-CG 3.68Å; Y83-E87 HydrophobicContact CG-CG 4.41Å; Y83-E87 WeakPolarHBondContact O-CB 3.28Å; Y83-E87 WeakPolarHBondContact O-CG 3.35Å; Y83-E87 PolarHBondContact O-N 2.7Å; Y83-W191 AromaticContact CD2-CH2 3.53Å; Y83-W191 HydrophobicContact CD2-CH2 3.53Å; Y83-W191 HydrophobicContact CD2-CZ2 4.15Å; Y83-W191 AromaticContact CD2-CZ3 3.93Å; Y83-W191 HydrophobicContact CD2-CZ3 3.93Å; Y83-W191 HydrophobicContact CE2-CE3 4.45Å; Y83-W191 AromaticContact CE2-CH2 3.87Å; Y83-W191 HydrophobicContact CE2-CH2 3.87Å; Y83-W191 HydrophobicContact CE2-CZ2 4.35Å; Y83-W191 AromaticContact CE2-CZ3 3.92Å; Y83-W191 HydrophobicContact CE2-CZ3 3.92Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.45Å; Y83-Y195 PolarHBondContact OH-OH 3.4Å
84	W	98.1	Very high	96.9	Very high	39 Å²	39	69.8 Å²	69.8	15%	0.148	34%	0.341	C	S	.	.	H	α-helix	trans	-62.8	-37.9	-178.9	-62.2	109	0	0	0	112.8	V58 M69 P71 I76 E79 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.15Å; V58-W84 HydrophobicContact CG1-CZ3 3.91Å; M69-W84 HydrophobicContact CB-CE3 4.31Å; M69-W84 HydrophobicContact CG-CE3 4.24Å; M69-W84 HydrophobicContact CG-CZ3 4.09Å; P71-W84 HydrophobicContact CB-CH2 3.58Å; P71-W84 HydrophobicContact CB-CZ2 4Å; P71-W84 HydrophobicContact CB-CZ3 4.41Å; P71-W84 HydrophobicContact CG-CH2 4.2Å; P71-W84 HydrophobicContact CG-CZ2 4.41Å; I76-W84 HydrophobicContact CB-CH2 4.48Å; I76-W84 HydrophobicContact CG1-CH2 3.82Å; I76-W84 HydrophobicContact CG1-CZ2 4.07Å; I76-W84 HydrophobicContact CG2-CH2 3.97Å; I76-W84 HydrophobicContact CG2-CZ2 4.37Å; I76-W84 WeakPolarHBondContact O-CZ2 3.3Å; E79-W84 PolarHBondContact O-NE1 2.95Å; P81-W84 PolarHBondContact O-N 2.96Å; W84-T88 WeakPolarHBondContact O-CB 3.1Å; W84-T88 PolarHBondContact O-N 2.73Å; W84-T88 PolarHBondContact O-OG1 2.68Å
85	D	97.8	Very high	97	Very high	81 Å²	81	65.7 Å²	65.7	43%	0.433	31%	0.314	S	S	.	.	H	α-helix	trans	-69.5	-36.6	175.7	-75.3	-21	0	0	0	112.3	P81 Y83 R89	P81-D85 PolarHBondContact O-N 2.8Å; Y83-D85 VanDerWaalsContact C-N 3.32Å; Y83-D85 PolarHBondContact O-N 3.17Å; D85-R89 WeakPolarHBondContact O-CB 3.33Å; D85-R89 WeakPolarHBondContact O-CG 3.45Å; D85-R89 PolarHBondContact O-N 3.06Å; D85-R89 VanDerWaalsContact O-N 3.13Å; D85-R89 PolarHBondContact O-NE 3.25Å
86	Q	97.4	Very high	97.1	Very high	77 Å²	77	70 Å²	70	36%	0.36	34%	0.335	S	S	.	.	H	α-helix	trans	-69	-49.6	174.9	-174.8	63.2	52	0	0	111.2	E82 Y83 T88 R89 N90	E82-Q86 VanDerWaalsContact O-CB 3.29Å; E82-Q86 WeakPolarHBondContact O-CB 3.21Å; E82-Q86 PolarHBondContact O-N 2.68Å; Y83-Q86 PolarHBondContact O-N 3.37Å; Y83-Q86 VanDerWaalsContact O-N 3.16Å; Q86-T88 VanDerWaalsContact C-N 3.32Å; Q86-T88 PolarHBondContact O-N 3.25Å; Q86-R89 PolarHBondContact O-N 2.97Å; Q86-R89 VanDerWaalsContact O-N 3.09Å; Q86-N90 PolarHBondContact NE2-OD1 2.87Å; Q86-N90 VanDerWaalsContact O-CG 3.23Å; Q86-N90 PolarHBondContact O-N 3.15Å; Q86-N90 PolarHBondContact O-OD1 3.26Å
87	E	97.6	Very high	97.1	Very high	26 Å²	26	73.2 Å²	73.2	12%	0.121	36%	0.355	C	S	.	.	H	α-helix	trans	-62.3	-40	179.3	-70.3	-56.4	102	0	0	111.7	M69 Y83 R89 N90 V91	M69-E87 HydrophobicContact CB-CB 4.07Å; M69-E87 HydrophobicContact CE-CB 4.49Å; M69-E87 HydrophobicContact CG-CB 4.03Å; Y83-E87 HydrophobicContact CD1-CG 4.35Å; Y83-E87 HydrophobicContact CD2-CG 4.1Å; Y83-E87 HydrophobicContact CE1-CG 3.96Å; Y83-E87 HydrophobicContact CE2-CG 3.68Å; Y83-E87 HydrophobicContact CG-CG 4.41Å; Y83-E87 WeakPolarHBondContact O-CB 3.28Å; Y83-E87 WeakPolarHBondContact O-CG 3.35Å; Y83-E87 PolarHBondContact O-N 2.7Å; E87-R89 VanDerWaalsContact C-N 3.33Å; E87-R89 PolarHBondContact O-N 2.93Å; E87-N90 PolarHBondContact O-N 2.96Å; E87-N90 PolarHBondContact OE1-ND2 2.81Å; E87-V91 WeakPolarHBondContact O-CB 3.44Å; E87-V91 WeakPolarHBondContact O-CG1 3.31Å; E87-V91 PolarHBondContact O-N 2.86Å
88	T	98.3	Very high	97.1	Very high	13 Å²	13	67.3 Å²	67.3	8%	0.08	33%	0.328	C	S	.	.	H	α-helix	trans	-63.2	-38.6	174.2	-62.5	0	0	0	0	111.9	R68 M69 W84 Q86 V91 K92	R68-T88 HydrophobicContact CB-CG2 4.45Å; R68-T88 HydrophobicContact CG-CG2 4.16Å; M69-T88 PolarHBondContact N-OG1 2.8Å; W84-T88 WeakPolarHBondContact O-CB 3.1Å; W84-T88 PolarHBondContact O-N 2.73Å; W84-T88 PolarHBondContact O-OG1 2.68Å; Q86-T88 VanDerWaalsContact C-N 3.32Å; Q86-T88 PolarHBondContact O-N 3.25Å; T88-V91 WeakPolarHBondContact O-CG1 3.36Å; T88-K92 HydrophobicContact CG2-CD 4.24Å; T88-K92 WeakPolarHBondContact O-CB 3.5Å; T88-K92 VanDerWaalsContact O-CG 3.28Å; T88-K92 WeakPolarHBondContact O-CG 3.36Å; T88-K92 PolarHBondContact O-N 2.85Å
89	R	98.2	Very high	97.2	Very high	151 Å²	151	66.8 Å²	66.8	57%	0.57	32%	0.32	S	S	*	.	H	α-helix	trans	-68.4	-44.8	176.1	-79.7	-175.5	-67.9	146	0.4	111.6	D85 Q86 E87 K92 A93	D85-R89 WeakPolarHBondContact O-CB 3.33Å; D85-R89 WeakPolarHBondContact O-CG 3.45Å; D85-R89 PolarHBondContact O-N 3.06Å; D85-R89 VanDerWaalsContact O-N 3.13Å; D85-R89 PolarHBondContact O-NE 3.25Å; Q86-R89 PolarHBondContact O-N 2.97Å; Q86-R89 VanDerWaalsContact O-N 3.09Å; E87-R89 VanDerWaalsContact C-N 3.33Å; E87-R89 PolarHBondContact O-N 2.93Å; R89-K92 PolarHBondContact O-N 2.9Å; R89-A93 WeakPolarHBondContact O-CB 3.49Å; R89-A93 PolarHBondContact O-N 2.87Å
90	N	96.6	Very high	97.3	Very high	74 Å²	74	70.5 Å²	70.5	40%	0.396	34%	0.344	S	S	.	.	H	α-helix	trans	-58.3	-51	178.9	-68.2	-12.6	0	0	0	111	Q86 E87 K92 A93 Q94	Q86-N90 PolarHBondContact NE2-OD1 2.87Å; Q86-N90 VanDerWaalsContact O-CG 3.23Å; Q86-N90 PolarHBondContact O-N 3.15Å; Q86-N90 PolarHBondContact O-OD1 3.26Å; E87-N90 PolarHBondContact O-N 2.96Å; E87-N90 PolarHBondContact OE1-ND2 2.81Å; N90-K92 VanDerWaalsContact C-N 3.33Å; N90-K92 PolarHBondContact O-N 2.87Å; N90-A93 WeakPolarHBondContact O-CB 3.31Å; N90-A93 PolarHBondContact O-N 3.41Å; N90-A93 VanDerWaalsContact O-N 3.17Å; N90-Q94 PolarHBondContact O-N 2.8Å
91	V	97.5	Very high	97.3	Very high	10 Å²	10	64.3 Å²	64.3	6%	0.061	32%	0.324	C	S	.	.	H	α-helix	trans	-67.6	-32.7	-177.9	75.6	0	0	0	0	112.7	F46 A48 F60 M69 E87 T88 Q94 S95	F46-V91 HydrophobicContact CD1-CG2 4.33Å; F46-V91 HydrophobicContact CE1-CG2 3.37Å; F46-V91 HydrophobicContact CZ-CG2 3.95Å; A48-V91 HydrophobicContact CB-CG2 3.75Å; F60-V91 HydrophobicContact CB-CG1 4.15Å; F60-V91 HydrophobicContact CB-CG2 3.87Å; F60-V91 HydrophobicContact CD1-CG1 4.23Å; F60-V91 HydrophobicContact CD1-CG2 3.91Å; F60-V91 HydrophobicContact CD2-CG1 3.36Å; F60-V91 HydrophobicContact CD2-CG2 4.38Å; F60-V91 HydrophobicContact CE2-CG1 3.69Å; F60-V91 HydrophobicContact CG-CB 4.41Å; F60-V91 HydrophobicContact CG-CG1 3.66Å; F60-V91 HydrophobicContact CG-CG2 3.8Å; F60-V91 HydrophobicContact CZ-CG1 4.28Å; M69-V91 HydrophobicContact CE-CB 3.91Å; M69-V91 HydrophobicContact CE-CG1 4.06Å; M69-V91 HydrophobicContact CE-CG2 4.1Å; E87-V91 WeakPolarHBondContact O-CB 3.44Å; E87-V91 WeakPolarHBondContact O-CG1 3.31Å; E87-V91 PolarHBondContact O-N 2.86Å; T88-V91 WeakPolarHBondContact O-CG1 3.36Å; V91-Q94 PolarHBondContact O-N 2.98Å; V91-S95 WeakPolarHBondContact O-CB 3.46Å; V91-S95 PolarHBondContact O-N 3.36Å
92	K	97.9	Very high	97.4	Very high	82 Å²	82	60.5 Å²	60.5	36%	0.357	30%	0.299	S	S	.	.	H	α-helix	trans	-68.5	-39.4	172.5	-77.2	-176	-180	-174.3	0	112.1	F60 Q67 T88 R89 N90 S95 Q96	F60-K92 HydrophobicContact CE2-CG 4.26Å; F60-K92 HydrophobicContact CZ-CG 4.1Å; Q67-K92 WeakPolarHBondContact O-CE 3.32Å; Q67-K92 PolarHBondContact O-NZ 2.8Å; T88-K92 HydrophobicContact CG2-CD 4.24Å; T88-K92 WeakPolarHBondContact O-CB 3.5Å; T88-K92 VanDerWaalsContact O-CG 3.28Å; T88-K92 WeakPolarHBondContact O-CG 3.36Å; T88-K92 PolarHBondContact O-N 2.85Å; R89-K92 PolarHBondContact O-N 2.9Å; N90-K92 VanDerWaalsContact C-N 3.33Å; N90-K92 PolarHBondContact O-N 2.87Å; K92-S95 PolarHBondContact O-N 3.45Å; K92-Q96 WeakPolarHBondContact O-CG 3.28Å; K92-Q96 PolarHBondContact O-N 3.27Å; K92-Q96 VanDerWaalsContact O-N 3.09Å
93	A	97.8	Very high	97.2	Very high	57 Å²	57	56.1 Å²	56.1	47%	0.471	29%	0.288	S	S	.	.	H	α-helix	trans	-63.5	-42.6	174.5	0	0	0	0	0	111.3	R89 N90 Q96 T97	R89-A93 WeakPolarHBondContact O-CB 3.49Å; R89-A93 PolarHBondContact O-N 2.87Å; N90-A93 WeakPolarHBondContact O-CB 3.31Å; N90-A93 PolarHBondContact O-N 3.41Å; N90-A93 VanDerWaalsContact O-N 3.17Å; A93-Q96 PolarHBondContact O-N 3.48Å; A93-T97 PolarHBondContact O-N 2.95Å; A93-T97 PolarHBondContact O-OG1 3.15Å
94	Q	97.2	Very high	97.2	Very high	67 Å²	67	57.7 Å²	57.7	31%	0.313	30%	0.299	S	S	.	.	H	α-helix	trans	-60	-46.6	173.2	-170.3	62.8	50.2	0	0	111.2	F46 N90 V91 Q96 T97 D98	F46-Q94 HydrophobicContact CE2-CB 4.39Å; F46-Q94 HydrophobicContact CE2-CG 4.01Å; F46-Q94 HydrophobicContact CZ-CB 4.24Å; F46-Q94 HydrophobicContact CZ-CG 4.07Å; N90-Q94 PolarHBondContact O-N 2.8Å; V91-Q94 PolarHBondContact O-N 2.98Å; Q94-Q96 VanDerWaalsContact C-N 3.27Å; Q94-Q96 PolarHBondContact O-N 3.43Å; Q94-T97 WeakPolarHBondContact O-CA 3.36Å; Q94-T97 WeakPolarHBondContact O-CB 3.31Å; Q94-T97 PolarHBondContact O-N 3Å; Q94-D98 PolarHBondContact NE2-OD1 2.91Å; Q94-D98 PolarHBondContact O-N 2.96Å
95	S	97.2	Very high	97.2	Very high	18 Å²	18	56.4 Å²	56.4	13%	0.126	30%	0.295	C	S	.	.	H	α-helix	trans	-57.5	-36.9	177.7	174.3	0	0	0	0	113.7	F46 V91 K92 R99	F46-S95 WeakPolarHBondContact CB-OG 3.25Å; F46-S95 VanDerWaalsContact CD2-CA 3.42Å; V91-S95 WeakPolarHBondContact O-CB 3.46Å; V91-S95 PolarHBondContact O-N 3.36Å; K92-S95 PolarHBondContact O-N 3.45Å; S95-R99 WeakPolarHBondContact O-CB 3.5Å; S95-R99 PolarHBondContact O-N 2.92Å
96	Q	97.1	Very high	97.1	Very high	105 Å²	105	56 Å²	56	49%	0.491	29%	0.288	S	S	.	.	H	α-helix	trans	-71.6	-35.6	174.1	-65.2	-53.4	-53.5	0	0	112.5	K92 A93 Q94 R99 V100	K92-Q96 WeakPolarHBondContact O-CG 3.28Å; K92-Q96 PolarHBondContact O-N 3.27Å; K92-Q96 VanDerWaalsContact O-N 3.09Å; A93-Q96 PolarHBondContact O-N 3.48Å; Q94-Q96 VanDerWaalsContact C-N 3.27Å; Q94-Q96 PolarHBondContact O-N 3.43Å; Q96-R99 PolarHBondContact O-N 2.9Å; Q96-V100 PolarHBondContact O-N 3.48Å
97	T	97.2	Very high	97.1	Very high	68 Å²	68	54.3 Å²	54.3	42%	0.417	29%	0.291	S	S	.	.	H	α-helix	trans	-64.6	-51.6	175.9	-55.3	0	0	0	0	110.3	A93 Q94 R99 V100 D101	A93-T97 PolarHBondContact O-N 2.95Å; A93-T97 PolarHBondContact O-OG1 3.15Å; Q94-T97 WeakPolarHBondContact O-CA 3.36Å; Q94-T97 WeakPolarHBondContact O-CB 3.31Å; Q94-T97 PolarHBondContact O-N 3Å; T97-R99 PolarHBondContact O-N 3.34Å; T97-V100 WeakPolarHBondContact O-CA 3.37Å; T97-V100 WeakPolarHBondContact O-CB 3.37Å; T97-V100 PolarHBondContact O-N 2.89Å; T97-D101 PolarHBondContact O-N 3.31Å
98	D	97	Very high	97.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-57.7	-36.4	177.7	-75.1	25.3	0	0	0	112.5	S35 F46 Q94 V100 D101 L102	S35-D98 WeakPolarHBondContact CB-OD2 3.28Å; S35-D98 WeakPolarHBondContact OG-CB 3.42Å; S35-D98 PolarHBondContact OG-OD2 3.38Å; F46-D98 HydrophobicContact CD2-CB 4.41Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.4Å; Q94-D98 PolarHBondContact NE2-OD1 2.91Å; Q94-D98 PolarHBondContact O-N 2.96Å; D98-V100 VanDerWaalsContact C-N 3.35Å; D98-D101 PolarHBondContact O-N 3.48Å; D98-L102 WeakPolarHBondContact O-CB 3.5Å; D98-L102 VanDerWaalsContact O-CG 3.31Å; D98-L102 WeakPolarHBondContact O-CG 3.5Å; D98-L102 PolarHBondContact O-N 3.49Å
99	R	96	Very high	97	Very high	108 Å²	108	58.2 Å²	58.2	41%	0.408	30%	0.304	S	S	.	.	H	α-helix	trans	-61.3	-43.4	174.8	169.2	-167.1	148.2	152	-5.6	111.6	E43 P44 S95 Q96 T97	E43-R99 IonicContact OE1-CZ 3.46Å; E43-R99 IonicContact OE1-NH1 3.58Å; E43-R99 PolarHBondContact OE1-NH1 3.44Å; E43-R99 VanDerWaalsContact OE2-CD 3.23Å; E43-R99 WeakPolarHBondContact OE2-CD 3.39Å; E43-R99 IonicContact OE2-CZ 3.8Å; E43-R99 IonicContact OE2-NE 3.79Å; E43-R99 IonicContact OE2-NH1 2.74Å; E43-R99 PolarHBondContact OE2-NH1 2.99Å; P44-R99 HydrophobicContact CG-CB 4.38Å; P44-R99 HydrophobicContact CG-CG 4.27Å; S95-R99 WeakPolarHBondContact O-CB 3.5Å; S95-R99 PolarHBondContact O-N 2.92Å; Q96-R99 PolarHBondContact O-N 2.9Å; T97-R99 PolarHBondContact O-N 3.34Å
100	V	96.7	Very high	96.9	Very high	90 Å²	90	58.2 Å²	58.2	55%	0.545	32%	0.316	S	S	.	.	H	α-helix	trans	-69.1	-39.9	176.7	174.8	0	0	0	0	110.3	Q96 T97 D98 L102 G103 T104	Q96-V100 PolarHBondContact O-N 3.48Å; T97-V100 WeakPolarHBondContact O-CA 3.37Å; T97-V100 WeakPolarHBondContact O-CB 3.37Å; T97-V100 PolarHBondContact O-N 2.89Å; D98-V100 VanDerWaalsContact C-N 3.35Å; V100-L102 PolarHBondContact O-N 3.36Å; V100-G103 PolarHBondContact O-N 3.01Å; V100-T104 PolarHBondContact O-N 2.96Å; V100-T104 PolarHBondContact O-OG1 3.45Å; V100-T104 VanDerWaalsContact O-OG1 3.04Å
101	D	97.4	Very high	96.9	Very high	52 Å²	52	57.6 Å²	57.6	28%	0.278	31%	0.31	S	S	.	.	H	α-helix	trans	-66.5	-37.4	179.7	-70.5	-20.9	0	0	0	112	T97 D98 G103 T104 L105 I119	T97-D101 PolarHBondContact O-N 3.31Å; D98-D101 PolarHBondContact O-N 3.48Å; D101-G103 VanDerWaalsContact C-N 3.26Å; D101-G103 PolarHBondContact O-N 2.87Å; D101-T104 PolarHBondContact O-N 2.97Å; D101-L105 WeakPolarHBondContact O-CB 3.18Å; D101-L105 VanDerWaalsContact O-CG 3.31Å; D101-L105 WeakPolarHBondContact O-CG 3.22Å; D101-L105 PolarHBondContact O-N 3.48Å; D101-I119 HydrophobicContact CB-CD1 3.64Å
102	L	96.9	Very high	96.7	Very high	9 Å²	9	60.9 Å²	60.9	5%	0.047	33%	0.334	C	S	.	.	H	α-helix	trans	-56.1	-42.2	172.9	-81.7	166	0	0	0	111.5	P44 D98 V100 R106 H117 I119 Y142	P44-L102 HydrophobicContact CB-CD1 3.66Å; P44-L102 HydrophobicContact CG-CD1 3.71Å; D98-L102 WeakPolarHBondContact O-CB 3.5Å; D98-L102 VanDerWaalsContact O-CG 3.31Å; D98-L102 WeakPolarHBondContact O-CG 3.5Å; D98-L102 PolarHBondContact O-N 3.49Å; V100-L102 PolarHBondContact O-N 3.36Å; L102-R106 VanDerWaalsContact O-CB 3.24Å; L102-R106 WeakPolarHBondContact O-CB 3.28Å; L102-R106 PolarHBondContact O-N 3.48Å; L102-H117 HydrophobicContact CD2-CB 4.08Å; L102-I119 HydrophobicContact CB-CD1 4.37Å; L102-I119 HydrophobicContact CD2-CD1 3.98Å; L102-I119 HydrophobicContact CD2-CG1 3.77Å; L102-I119 HydrophobicContact CG-CD1 3.74Å; L102-I119 HydrophobicContact CG-CG1 4.08Å; L102-Y142 HydrophobicContact CD2-CE2 4.37Å
103	G	95.1	Very high	96.2	Very high	36 Å²	36	63.6 Å²	63.6	37%	0.371	35%	0.347	S	S	.	.	H	α-helix	trans	-68.6	-39.7	175.3	0	0	0	0	0	112.8	V100 D101 G107	V100-G103 PolarHBondContact O-N 3.01Å; D101-G103 VanDerWaalsContact C-N 3.26Å; D101-G103 PolarHBondContact O-N 2.87Å; G103-G107 PolarHBondContact O-N 3.4Å; G103-G107 VanDerWaalsContact O-N 3.16Å
104	T	97	Very high	95.8	Very high	48 Å²	48	65 Å²	65	29%	0.294	36%	0.359	S	S	.	.	H	α-helix	trans	-66.4	-49.1	179.9	-60.7	0	0	0	0	111.8	V100 D101 G107 Y108	V100-T104 PolarHBondContact O-N 2.96Å; V100-T104 PolarHBondContact O-OG1 3.45Å; V100-T104 VanDerWaalsContact O-OG1 3.04Å; D101-T104 PolarHBondContact O-N 2.97Å; T104-G107 WeakPolarHBondContact O-CA 3.47Å; T104-G107 PolarHBondContact O-N 3.35Å; T104-G107 VanDerWaalsContact O-N 3.11Å; T104-Y108 HydrophobicContact CG2-CD1 4.38Å; T104-Y108 HydrophobicContact CG2-CD2 4.43Å; T104-Y108 HydrophobicContact CG2-CE1 3.8Å; T104-Y108 HydrophobicContact CG2-CE2 3.85Å; T104-Y108 VanDerWaalsContact CG2-CZ 3.49Å; T104-Y108 PolarHBondContact O-N 2.9Å
105	L	97.6	Very high	95.5	Very high	12 Å²	12	62.8 Å²	62.8	6%	0.063	36%	0.355	C	S	.	.	H	α-helix	trans	-63.8	-44.2	179.3	-67.3	177.4	0	0	0	111.1	D101 G107 Y108 Y109 I119 Y142 Y147	D101-L105 WeakPolarHBondContact O-CB 3.18Å; D101-L105 VanDerWaalsContact O-CG 3.31Å; D101-L105 WeakPolarHBondContact O-CG 3.22Å; D101-L105 PolarHBondContact O-N 3.48Å; L105-G107 PolarHBondContact O-N 2.93Å; L105-Y108 HydrophobicContact CD2-CD2 4.24Å; L105-Y108 PolarHBondContact O-N 3.4Å; L105-Y109 HydrophobicContact CD2-CE2 4.5Å; L105-Y109 VanDerWaalsContact O-CD2 3.23Å; L105-Y109 WeakPolarHBondContact O-CD2 3.44Å; L105-Y109 PolarHBondContact O-N 2.92Å; L105-I119 HydrophobicContact CD1-CD1 3.6Å; L105-I119 HydrophobicContact CD1-CG1 3.73Å; L105-Y142 HydrophobicContact CB-CD1 4.46Å; L105-Y142 HydrophobicContact CB-CD2 4.08Å; L105-Y142 HydrophobicContact CB-CE1 4.16Å; L105-Y142 HydrophobicContact CB-CE2 3.73Å; L105-Y142 HydrophobicContact CB-CG 4.41Å; L105-Y142 HydrophobicContact CD1-CD2 3.41Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.41Å; L105-Y142 HydrophobicContact CD1-CE2 3.85Å; L105-Y142 HydrophobicContact CD1-CG 3.84Å; L105-Y142 HydrophobicContact CG-CD2 4.37Å; L105-Y142 HydrophobicContact CG-CE2 4.46Å; L105-Y147 HydrophobicContact CD2-CD1 4.47Å; L105-Y147 HydrophobicContact CD2-CD2 4.32Å; L105-Y147 HydrophobicContact CD2-CE1 3.76Å; L105-Y147 HydrophobicContact CD2-CE2 3.56Å; L105-Y147 VanDerWaalsContact CD2-OH 3.27Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.43Å
106	R	96.1	Very high	95.4	Very high	72 Å²	72	65.4 Å²	65.4	27%	0.272	37%	0.373	S	S	.	.	H	α-helix	trans	-52.9	-41.5	172.4	-172.2	-173.2	69	-178.7	10	111.7	L102 N110 Q111 E113	L102-R106 VanDerWaalsContact O-CB 3.24Å; L102-R106 WeakPolarHBondContact O-CB 3.28Å; L102-R106 PolarHBondContact O-N 3.48Å; R106-N110 PolarHBondContact O-N 3.32Å; R106-N110 VanDerWaalsContact O-N 3.15Å; R106-Q111 HydrophobicContact CG-CB 3.76Å; R106-Q111 PolarHBondContact O-N 3.31Å; R106-E113 IonicContact CZ-OE1 3.06Å; R106-E113 IonicContact NH1-OE1 2.71Å; R106-E113 IonicContact NH2-OE1 2.75Å; R106-E113 PolarHBondContact NH2-OE1 2.98Å
107	G	96.1	Very high	95.4	Very high	42 Å²	42	61.1 Å²	61.1	43%	0.433	35%	0.353	S	S	.	.	H	α-helix	trans	-64.9	-47.6	174.3	0	0	0	0	0	113.3	G103 T104 L105 Y109 N110	G103-G107 PolarHBondContact O-N 3.4Å; G103-G107 VanDerWaalsContact O-N 3.16Å; T104-G107 WeakPolarHBondContact O-CA 3.47Å; T104-G107 PolarHBondContact O-N 3.35Å; T104-G107 VanDerWaalsContact O-N 3.11Å; L105-G107 PolarHBondContact O-N 2.93Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 2.89Å; G107-N110 PolarHBondContact O-N 3.41Å; G107-N110 VanDerWaalsContact O-N 3.12Å
108	Y	97.7	Very high	95.5	Very high	56 Å²	56	59.5 Å²	59.5	22%	0.22	34%	0.343	C	S	.	.	H	α-helix	trans	-60.1	-36.9	178.7	-68.7	-7.7	0	0	0	112.9	T104 L105 I166 K170	T104-Y108 HydrophobicContact CG2-CD1 4.38Å; T104-Y108 HydrophobicContact CG2-CD2 4.43Å; T104-Y108 HydrophobicContact CG2-CE1 3.8Å; T104-Y108 HydrophobicContact CG2-CE2 3.85Å; T104-Y108 VanDerWaalsContact CG2-CZ 3.49Å; T104-Y108 PolarHBondContact O-N 2.9Å; L105-Y108 HydrophobicContact CD2-CD2 4.24Å; L105-Y108 PolarHBondContact O-N 3.4Å; Y108-I166 HydrophobicContact CD1-CD1 4.24Å; Y108-I166 HydrophobicContact CD2-CD1 4.4Å; Y108-I166 HydrophobicContact CE1-CD1 4.41Å; Y108-I166 HydrophobicContact CE1-CG2 4.19Å; Y108-I166 HydrophobicContact CE2-CB 4.08Å; Y108-I166 HydrophobicContact CE2-CG2 4.01Å; Y108-I166 HydrophobicContact CG-CD1 4.24Å; Y108-K170 PolarHBondContact OH-NZ 3.39Å
109	Y	97.4	Very high	95.6	Very high	66 Å²	66	59.8 Å²	59.8	26%	0.259	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	2.8	179.1	-69.9	-72	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.5Å; L105-Y109 VanDerWaalsContact O-CD2 3.23Å; L105-Y109 WeakPolarHBondContact O-CD2 3.44Å; L105-Y109 PolarHBondContact O-N 2.92Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 2.89Å; Y109-Q111 PolarHBondContact O-N 3.49Å; Y109-Y142 AromaticContact CD2-CD1 3.75Å; Y109-Y142 HydrophobicContact CD2-CD1 3.75Å; Y109-Y142 AromaticContact CD2-CE1 3.55Å; Y109-Y142 HydrophobicContact CD2-CE1 3.55Å; Y109-Y142 AromaticContact CE2-CD1 3.57Å; Y109-Y142 HydrophobicContact CE2-CD1 3.57Å; Y109-Y142 AromaticContact CE2-CE1 3.89Å; Y109-Y142 HydrophobicContact CE2-CE1 3.89Å; Y109-Y142 HydrophobicContact CE2-CG 4.48Å; Y109-Y142 HydrophobicContact CG-CE1 4.4Å; Y109-Y147 HydrophobicContact CE2-CD2 4.37Å; Y109-Y147 HydrophobicContact CE2-CE2 4.09Å; Y109-Y147 WeakPolarHBondContact OH-CD2 2.85Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.47Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.33Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.23Å; Y109-D161 PolarHBondContact OH-OD1 2.87Å; Y109-D161 VanDerWaalsContact OH-OD1 3.13Å; Y109-D161 PolarHBondContact OH-OD2 3.34Å; Y109-A163 HydrophobicContact CD1-CB 4.16Å; Y109-A163 HydrophobicContact CD2-CB 4.44Å; Y109-A163 HydrophobicContact CE1-CB 3.6Å; Y109-A163 HydrophobicContact CE2-CB 3.91Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å
110	N	96	Very high	95.7	Very high	151 Å²	151	58.4 Å²	58.4	81%	0.807	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	40.4	-176.8	-58.1	-60	0	0	0	113.3	R106 G107	R106-N110 PolarHBondContact O-N 3.32Å; R106-N110 VanDerWaalsContact O-N 3.15Å; G107-N110 PolarHBondContact O-N 3.41Å; G107-N110 VanDerWaalsContact O-N 3.12Å
111	Q	95.9	Very high	95.8	Very high	61 Å²	61	54.4 Å²	54.4	29%	0.285	32%	0.318	S	S	.	.			trans	-86.6	155.4	-177.8	-70.2	168.8	-35.1	0	0	111.7	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.76Å; R106-Q111 PolarHBondContact O-N 3.31Å; Y109-Q111 PolarHBondContact O-N 3.49Å; Q111-H117 PolarHBondContact NE2-CE1 3.37Å; Q111-H117 PolarHBondContact OE1-CE1 3.42Å; Q111-H117 PolarHBondContact OE1-ND1 3.15Å; Q111-Y142 VanDerWaalsContact OE1-CE1 3.32Å; Q111-Y142 PolarHBondContact OE1-OH 3.22Å; Q111-D143 PolarHBondContact NE2-OD2 2.99Å
112	S	92.8	Very high	95.8	Very high	79 Å²	79	53.3 Å²	53.3	55%	0.552	31%	0.312	S	S	*	.			trans	-77.1	154.5	-177.9	74.9	0	0	0	0	112.3	A114 G115	S112-A114 PolarHBondContact O-N 2.92Å; S112-G115 PolarHBondContact O-N 2.94Å
113	E	87.8	Confident	95.9	Very high	138 Å²	138	55.8 Å²	55.8	65%	0.645	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-17.1	178.4	-55	-156.9	126.3	0	0	113.9	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.48Å; R106-E113 IonicContact CZ-OE1 3.06Å; R106-E113 IonicContact NH1-OE1 2.71Å; R106-E113 IonicContact NH2-OE1 2.75Å; R106-E113 PolarHBondContact NH2-OE1 2.98Å; E113-G115 VanDerWaalsContact C-N 3.32Å
114	A	89.2	Confident	96	Very high	86 Å²	86	54.1 Å²	54.1	71%	0.711	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-15	179.4	0	0	0	0	0	112.8	S112	S112-A114 PolarHBondContact O-N 2.92Å
115	G	91.1	Very high	96.1	Very high	22 Å²	22	51.8 Å²	51.8	23%	0.227	29%	0.289	C	S	.	.	S	Bend	trans	-76.2	135.4	178.9	0	0	0	0	0	112.5	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.29Å; S112-G115 PolarHBondContact O-N 2.94Å; E113-G115 VanDerWaalsContact C-N 3.32Å; G115-H117 PolarHBondContact O-CD2 3.33Å; G115-H117 VanDerWaalsContact O-CD2 3.26Å
116	S	95.6	Very high	96.1	Very high	73 Å²	73	52.5 Å²	52.5	51%	0.51	29%	0.293	S	S	.	.			trans	-82.8	135.1	164.4	-179.3	0	0	0	0	108.7	S37	S37-S116 PolarHBondContact O-OG 2.86Å; S37-S116 WeakPolarHBondContact OG-CA 3.37Å
117	H	97.4	Very high	96.1	Very high	15 Å²	15	49.1 Å²	49.1	7%	0.069	28%	0.28	C	S	.	.			trans	-131.5	151.5	-174.3	-65.4	-69.3	0	0	0	110.1	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 3.27Å; S37-H117 PolarHBondContact OG-N 3.21Å; S37-H117 PolarHBondContact OG-O 3.35Å; L102-H117 HydrophobicContact CD2-CB 4.08Å; Q111-H117 PolarHBondContact NE2-CE1 3.37Å; Q111-H117 PolarHBondContact OE1-CE1 3.42Å; Q111-H117 PolarHBondContact OE1-ND1 3.15Å; G115-H117 PolarHBondContact O-CD2 3.33Å; G115-H117 VanDerWaalsContact O-CD2 3.26Å; H117-Y142 HydrophobicContact CB-CE2 3.89Å; H117-Y142 WeakPolarHBondContact CB-OH 3.44Å; H117-Y142 AromaticContact CG-CZ 4Å; H117-Y142 AromaticContact ND1-CZ 3.92Å; H117-Y142 PolarHBondContact ND1-OH 3.15Å; H117-D143 WeakPolarHBondContact CA-OD1 3.31Å; H117-D143 IonicContact CE1-OD2 3.72Å; H117-D143 IonicContact CG-OD1 3.67Å; H117-D143 IonicContact CG-OD2 3.86Å; H117-D143 IonicContact ND1-OD1 3.51Å; H117-D143 PolarHBondContact ND1-OD1 3.01Å; H117-D143 IonicContact ND1-OD2 2.76Å; H117-D143 PolarHBondContact ND1-OD2 2.85Å
118	T	98.4	Very high	96	Very high	34 Å²	34	47.6 Å²	47.6	21%	0.209	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129.8	-175.4	-53.6	0	0	0	0	111.1	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.78Å; S35-T118 CarbonylContact O-C 3.56Å; S35-T118 VanDerWaalsContact O-CA 3.29Å; S35-T118 WeakPolarHBondContact O-CA 3.36Å; V36-T118 HydrophobicContact CG2-CG2 4.12Å; T118-Q120 HydrophobicContact CG2-CG 3.92Å; T118-Y142 CarbonylContact O-C 3.57Å; T118-Y142 WeakPolarHBondContact O-CA 3.21Å; T118-Y142 VanDerWaalsContact O-CD2 3.32Å; T118-Y142 WeakPolarHBondContact O-CD2 3.29Å; T118-D143 PolarHBondContact N-OD1 2.91Å; T118-D143 PolarHBondContact O-N 2.93Å
119	I	98.6	Very high	95.6	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.026	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	135.7	163.5	-66.6	174.6	0	0	0	108.1	T34 S35 D101 L102 L105 I121 A141 Y142	T34-I119 WeakPolarHBondContact CA-O 3.48Å; S35-I119 PolarHBondContact N-O 2.92Å; S35-I119 PolarHBondContact O-N 2.69Å; D101-I119 HydrophobicContact CB-CD1 3.64Å; L102-I119 HydrophobicContact CB-CD1 4.37Å; L102-I119 HydrophobicContact CD2-CD1 3.98Å; L102-I119 HydrophobicContact CD2-CG1 3.77Å; L102-I119 HydrophobicContact CG-CD1 3.74Å; L102-I119 HydrophobicContact CG-CG1 4.08Å; L105-I119 HydrophobicContact CD1-CD1 3.6Å; L105-I119 HydrophobicContact CD1-CG1 3.73Å; I119-I121 HydrophobicContact CG2-CD1 4.35Å; I119-I121 HydrophobicContact CG2-CG1 4.02Å; I119-A141 WeakPolarHBondContact CA-O 3.34Å; I119-Y142 HydrophobicContact CG1-CD2 3.84Å; I119-Y142 HydrophobicContact CG1-CE2 4.29Å
120	Q	98.8	Very high	95.2	Very high	79 Å²	79	49.7 Å²	49.7	37%	0.369	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.8	172.1	-59	175.2	-96.4	0	0	109	S33 T34 T118 H140 A141	S33-Q120 WeakPolarHBondContact O-CA 3.49Å; T34-Q120 HydrophobicContact CG2-CG 4.07Å; T118-Q120 HydrophobicContact CG2-CG 3.92Å; Q120-H140 CarbonylContact O-C 3.5Å; Q120-H140 WeakPolarHBondContact O-CA 3.03Å; Q120-A141 HydrophobicContact CB-CB 4.34Å; Q120-A141 PolarHBondContact N-O 2.64Å; Q120-A141 PolarHBondContact O-N 2.81Å
121	I	98.4	Very high	95	Very high	6 Å²	6	43.3 Å²	43.3	3%	0.031	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136	178.1	-52.6	173.3	0	0	0	108.2	F32 S33 I119 Y123 Q139 H140	F32-I121 CarbonylContact C-O 3.6Å; F32-I121 VanDerWaalsContact CA-O 3.28Å; F32-I121 WeakPolarHBondContact CA-O 3.18Å; S33-I121 PolarHBondContact N-O 2.81Å; S33-I121 PolarHBondContact O-N 3.32Å; S33-I121 WeakPolarHBondContact OG-CB 3.29Å; I119-I121 HydrophobicContact CG2-CD1 4.35Å; I119-I121 HydrophobicContact CG2-CG1 4.02Å; I121-Y123 HydrophobicContact CG2-CD1 4.23Å; I121-Q139 CarbonylContact C-O 3.51Å; I121-Q139 WeakPolarHBondContact CA-O 3.3Å; I121-H140 VanDerWaalsContact CD1-CE1 3.46Å; I121-H140 WeakPolarHBondContact CD1-CE1 3.35Å
122	M	98.6	Very high	95	Very high	29 Å²	29	48.3 Å²	48.3	14%	0.143	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.2	169.1	-177.6	-80.1	-64.9	0	0	109.3	Y31 F32 Y137 E138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.34Å; F32-M122 HydrophobicContact CD1-CB 3.85Å; F32-M122 HydrophobicContact CD1-CG 3.61Å; F32-M122 HydrophobicContact CE1-CB 3.98Å; F32-M122 HydrophobicContact CE1-CG 3.29Å; F32-M122 HydrophobicContact CG-CG 4.44Å; F32-M122 HydrophobicContact CZ-CG 3.89Å; M122-Y137 HydrophobicContact CE-CD1 4.24Å; M122-Y137 HydrophobicContact CE-CG 4.32Å; M122-Y137 HydrophobicContact SD-CG 4.48Å; M122-E138 CarbonylContact O-C 3.52Å; M122-E138 WeakPolarHBondContact O-CA 3.41Å; M122-Q139 HydrophobicContact CE-CB 4.31Å; M122-Q139 HydrophobicContact CE-CG 4.02Å; M122-Q139 PolarHBondContact N-O 3.45Å; M122-Q139 PolarHBondContact O-N 3.36Å
123	Y	98.3	Very high	95.2	Very high	62 Å²	62	47 Å²	47	24%	0.243	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	158.5	174.3	69.8	-92.8	0	0	0	111.8	R30 Y31 I121 Y137 E138 Y183	R30-Y123 WeakPolarHBondContact CA-O 3.38Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.44Å; Y31-Y123 HydrophobicContact CD2-CD2 4.25Å; Y31-Y123 AromaticContact CD2-CE2 3.55Å; Y31-Y123 HydrophobicContact CD2-CE2 3.55Å; Y31-Y123 AromaticContact CD2-CZ 3.92Å; Y31-Y123 HydrophobicContact CE2-CE2 4.36Å; Y31-Y123 HydrophobicContact CG-CE1 4.43Å; Y31-Y123 AromaticContact CG-CE2 3.89Å; Y31-Y123 HydrophobicContact CG-CE2 3.89Å; Y31-Y123 AromaticContact CG-CZ 3.76Å; Y31-Y123 PolarHBondContact N-O 2.84Å; Y31-Y123 PolarHBondContact O-N 3.17Å; I121-Y123 HydrophobicContact CG2-CD1 4.23Å; Y123-Y137 CarbonylContact C-O 3.53Å; Y123-Y137 WeakPolarHBondContact CA-O 3.41Å; Y123-Y137 WeakPolarHBondContact CB-O 3.18Å; Y123-E138 WeakPolarHBondContact CB-OE2 3.23Å; Y123-Y183 AromaticContact CD2-CE1 3.99Å; Y123-Y183 HydrophobicContact CD2-CE1 3.99Å; Y123-Y183 AromaticContact CE2-CE1 3.96Å; Y123-Y183 HydrophobicContact CE2-CE1 3.96Å
124	G	98.3	Very high	95.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157	-176.2	179.7	0	0	0	0	0	114.5	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.45Å; M29-G124 WeakPolarHBondContact O-CA 3.35Å; G124-G136 CarbonylContact O-C 3.54Å; G124-G136 WeakPolarHBondContact O-CA 3.38Å; G124-Y137 PolarHBondContact N-O 3.31Å; G124-Y137 PolarHBondContact O-N 3.41Å; G124-L184 WeakPolarHBondContact O-CD2 3.21Å
125	C	98.4	Very high	95.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	152.1	-174.4	57.9	0	0	0	0	111.9	S28 M29 F133 R135 L184 C188 V189	S28-C125 WeakPolarHBondContact CA-O 3.48Å; M29-C125 PolarHBondContact N-O 3.4Å; M29-C125 PolarHBondContact O-N 2.9Å; C125-F133 HydrophobicContact CB-CD2 4.41Å; C125-F133 HydrophobicContact CB-CE2 4.11Å; C125-R135 CarbonylContact C-O 3.51Å; C125-R135 VanDerWaalsContact CA-O 3.3Å; C125-R135 WeakPolarHBondContact CA-O 3.32Å; C125-L184 WeakPolarHBondContact CB-O 3.38Å; C125-C188 HydrophobicContact CB-CB 3.89Å; C125-C188 WeakPolarHBondContact CB-SG 3.33Å; C125-C188 PolarHBondContact N-SG 3.15Å; C125-C188 VanDerWaalsContact N-SG 3.36Å; C125-C188 WeakPolarHBondContact SG-CB 3.25Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.26Å; C125-V189 HydrophobicContact CB-CG2 4.43Å
126	D	97.7	Very high	96.2	Very high	27 Å²	27	44.7 Å²	44.7	14%	0.144	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	141.6	173.7	-63.3	-3.8	0	0	0	109.7	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.55Å; H27-D126 WeakPolarHBondContact O-CA 3.49Å; S28-D126 WeakPolarHBondContact CB-OD1 3.48Å; R30-D126 IonicContact CZ-OD1 3.7Å; R30-D126 IonicContact NE-OD1 3.11Å; R30-D126 PolarHBondContact NE-OD1 2.95Å; R30-D126 VanDerWaalsContact NH2-CG 3.27Å; R30-D126 IonicContact NH2-OD1 2.8Å; R30-D126 PolarHBondContact NH2-OD1 2.9Å; R30-D126 IonicContact NH2-OD2 3.37Å; R30-D126 PolarHBondContact NH2-OD2 3.35Å; D126-L134 HydrophobicContact CB-CB 4.32Å; D126-L134 PolarHBondContact O-N 2.88Å; D126-R135 HydrophobicContact CB-CB 4.38Å; D126-R135 PolarHBondContact N-O 3.44Å; D126-R135 PolarHBondContact O-N 3.5Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.4Å; D126-Y137 PolarHBondContact OD2-OH 3.2Å; D126-Y137 VanDerWaalsContact OD2-OH 3.08Å
127	V	96.6	Very high	96.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	146.2	174.7	-61.4	0	0	0	0	110.7	S26 H27 R132 V189 L192 L196	S26-V127 CarbonylContact C-O 3.55Å; S26-V127 VanDerWaalsContact CA-O 3.29Å; S26-V127 WeakPolarHBondContact CA-O 3.38Å; S26-V127 WeakPolarHBondContact CB-O 3.32Å; H27-V127 HydrophobicContact CB-CG2 3.95Å; H27-V127 PolarHBondContact N-O 3.5Å; H27-V127 PolarHBondContact O-N 3.06Å; V127-R132 CarbonylContact C-O 3.59Å; V127-R132 WeakPolarHBondContact CA-O 3.33Å; V127-V189 HydrophobicContact CG1-CB 4.35Å; V127-V189 HydrophobicContact CG1-CG1 3.84Å; V127-V189 HydrophobicContact CG1-CG2 4.04Å; V127-L192 HydrophobicContact CB-CD2 4.33Å; V127-L192 HydrophobicContact CG1-CD2 3.94Å; V127-L192 HydrophobicContact CG2-CD2 3.61Å; V127-L192 HydrophobicContact CG2-CG 4.14Å; V127-L196 HydrophobicContact CG2-CD1 4.45Å
128	G	93.6	Very high	96.4	Very high	10 Å²	10	43 Å²	43	10%	0.103	21%	0.212	C	C	.	.			trans	-73.2	176.4	172.9	0	0	0	0	0	111.6	D130 G131 R132 L134	G128-D130 PolarHBondContact O-N 3.08Å; G128-G131 WeakPolarHBondContact O-CA 3.29Å; G128-G131 PolarHBondContact O-N 2.96Å; G128-R132 PolarHBondContact N-O 2.83Å; G128-L134 VanDerWaalsContact N-CD1 3.35Å
129	S	89.3	Confident	96.4	Very high	83 Å²	83	45 Å²	45	58%	0.58	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-21.7	174.6	48.5	0	0	0	0	114.1	G25	G25-S129 VanDerWaalsContact O-CA 3.22Å; G25-S129 WeakPolarHBondContact O-CA 3.29Å; G25-S129 WeakPolarHBondContact O-CB 3.17Å; G25-S129 PolarHBondContact O-N 3.03Å
130	D	89.6	Confident	96.4	Very high	84 Å²	84	45.8 Å²	45.8	45%	0.449	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	4.7	171.5	61.9	12	0	0	0	113.3	G128 R132	G128-D130 PolarHBondContact O-N 3.08Å; D130-R132 PolarHBondContact O-N 2.68Å; D130-R132 VanDerWaalsContact OD1-CB 3.28Å; D130-R132 WeakPolarHBondContact OD1-CB 3.43Å; D130-R132 PolarHBondContact OD1-N 3.12Å; D130-R132 IonicContact OD1-NE 2.68Å; D130-R132 IonicContact OD2-CZ 3.55Å; D130-R132 IonicContact OD2-NE 3.09Å; D130-R132 PolarHBondContact OD2-NE 2.87Å; D130-R132 IonicContact OD2-NH2 3.62Å; D130-R132 PolarHBondContact OD2-NH2 3.4Å
131	G	90.9	Very high	96.4	Very high	16 Å²	16	42.8 Å²	42.8	17%	0.165	21%	0.212	C	C	.	.	S	Bend	trans	72.8	3.9	-177.8	0	0	0	0	0	114.4	G128 R193	G128-G131 WeakPolarHBondContact O-CA 3.29Å; G128-G131 PolarHBondContact O-N 2.96Å; G131-R193 PolarHBondContact O-NE 2.04Å; G131-R193 PolarHBondContact O-NH2 3.36Å
132	R	94.9	Very high	96.4	Very high	166 Å²	166	43 Å²	43	63%	0.626	21%	0.213	S	C	*	.			trans	-77.7	147.5	179.6	-66.7	-171	-69.8	177.3	-4.5	111.4	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.59Å; V127-R132 WeakPolarHBondContact CA-O 3.33Å; G128-R132 PolarHBondContact N-O 2.83Å; D130-R132 PolarHBondContact O-N 2.68Å; D130-R132 VanDerWaalsContact OD1-CB 3.28Å; D130-R132 WeakPolarHBondContact OD1-CB 3.43Å; D130-R132 PolarHBondContact OD1-N 3.12Å; D130-R132 IonicContact OD1-NE 2.68Å; D130-R132 IonicContact OD2-CZ 3.55Å; D130-R132 IonicContact OD2-NE 3.09Å; D130-R132 PolarHBondContact OD2-NE 2.87Å; D130-R132 IonicContact OD2-NH2 3.62Å; D130-R132 PolarHBondContact OD2-NH2 3.4Å; R132-L134 PolarHBondContact O-N 3.31Å
133	F	97.1	Very high	96.4	Very high	53 Å²	53	44.5 Å²	44.5	23%	0.232	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	131.3	175.3	-178.9	-106.2	0	0	0	111.2	C125 R135 G136 L154 L184 D185 V189	C125-F133 HydrophobicContact CB-CD2 4.41Å; C125-F133 HydrophobicContact CB-CE2 4.11Å; F133-R135 VanDerWaalsContact CE2-O 3.23Å; F133-R135 WeakPolarHBondContact CE2-O 3.38Å; F133-G136 VanDerWaalsContact CZ-N 3.27Å; F133-L154 HydrophobicContact CE1-CD1 3.92Å; F133-L154 HydrophobicContact CZ-CD1 3.68Å; F133-L184 WeakPolarHBondContact CE2-O 3.4Å; F133-D185 WeakPolarHBondContact CB-OD1 3.36Å; F133-D185 HydrophobicContact CD1-CB 4.38Å; F133-D185 WeakPolarHBondContact CD1-OD1 3.43Å; F133-D185 HydrophobicContact CD2-CB 4.47Å; F133-D185 HydrophobicContact CE1-CB 4.4Å; F133-D185 HydrophobicContact CE2-CB 4.46Å; F133-D185 HydrophobicContact CG-CB 4.41Å; F133-D185 WeakPolarHBondContact CG-OD1 3.33Å; F133-D185 HydrophobicContact CZ-CB 4.43Å; F133-V189 HydrophobicContact CB-CG2 4.01Å; F133-V189 HydrophobicContact CD2-CG2 3.6Å; F133-V189 HydrophobicContact CG-CG2 4.27Å
134	L	96.3	Very high	96.3	Very high	104 Å²	104	44.3 Å²	44.3	55%	0.545	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-48.5	173.9	-66.8	-178.8	0	0	0	111.5	D126 G128 R132	D126-L134 HydrophobicContact CB-CB 4.32Å; D126-L134 PolarHBondContact O-N 2.88Å; G128-L134 VanDerWaalsContact N-CD1 3.35Å; R132-L134 PolarHBondContact O-N 3.31Å
135	R	96.6	Very high	96.3	Very high	88 Å²	88	52 Å²	52	33%	0.332	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	148.2	-171.7	-172.2	162.7	170.5	146.9	7.8	111.8	C125 D126 F133 Y137 E152	C125-R135 CarbonylContact C-O 3.51Å; C125-R135 VanDerWaalsContact CA-O 3.3Å; C125-R135 WeakPolarHBondContact CA-O 3.32Å; D126-R135 HydrophobicContact CB-CB 4.38Å; D126-R135 PolarHBondContact N-O 3.44Å; D126-R135 PolarHBondContact O-N 3.5Å; F133-R135 VanDerWaalsContact CE2-O 3.23Å; F133-R135 WeakPolarHBondContact CE2-O 3.38Å; R135-Y137 HydrophobicContact CB-CE2 4.12Å; R135-Y137 VanDerWaalsContact CD-CZ 3.5Å; R135-Y137 WeakPolarHBondContact CD-OH 3.43Å; R135-Y137 HydrophobicContact CG-CD2 4.43Å; R135-Y137 HydrophobicContact CG-CE1 4.25Å; R135-Y137 HydrophobicContact CG-CE2 3.73Å; R135-Y137 VanDerWaalsContact NE-CE1 3.3Å; R135-Y137 PolarHBondContact NE-OH 3.01Å; R135-E152 VanDerWaalsContact CZ-CD 3.48Å; R135-E152 IonicContact CZ-OE1 3.91Å; R135-E152 IonicContact NH1-OE1 3.48Å; R135-E152 PolarHBondContact NH1-OE1 2.93Å; R135-E152 IonicContact NH1-OE2 3.92Å; R135-E152 VanDerWaalsContact NH2-CG 3.28Å; R135-E152 IonicContact NH2-OE1 3.52Å; R135-E152 PolarHBondContact NH2-OE1 2.7Å
136	G	97.6	Very high	96.3	Very high	4 Å²	4	58.1 Å²	58.1	4%	0.041	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	153.6	174.1	0	0	0	0	0	110.6	G124 F133	G124-G136 CarbonylContact O-C 3.54Å; G124-G136 WeakPolarHBondContact O-CA 3.38Å; F133-G136 VanDerWaalsContact CZ-N 3.27Å
137	Y	97.9	Very high	96.3	Very high	34 Å²	34	57.3 Å²	57.3	13%	0.133	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	139.1	-177.4	-57	-94.6	0	0	0	109.8	R30 M122 Y123 G124 D126 R135	R30-Y137 PolarHBondContact NH2-OH 3.2Å; M122-Y137 HydrophobicContact CE-CD1 4.24Å; M122-Y137 HydrophobicContact CE-CG 4.32Å; M122-Y137 HydrophobicContact SD-CG 4.48Å; Y123-Y137 CarbonylContact C-O 3.53Å; Y123-Y137 WeakPolarHBondContact CA-O 3.41Å; Y123-Y137 WeakPolarHBondContact CB-O 3.18Å; G124-Y137 PolarHBondContact N-O 3.31Å; G124-Y137 PolarHBondContact O-N 3.41Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.4Å; D126-Y137 PolarHBondContact OD2-OH 3.2Å; D126-Y137 VanDerWaalsContact OD2-OH 3.08Å; R135-Y137 HydrophobicContact CB-CE2 4.12Å; R135-Y137 VanDerWaalsContact CD-CZ 3.5Å; R135-Y137 WeakPolarHBondContact CD-OH 3.43Å; R135-Y137 HydrophobicContact CG-CD2 4.43Å; R135-Y137 HydrophobicContact CG-CE1 4.25Å; R135-Y137 HydrophobicContact CG-CE2 3.73Å; R135-Y137 VanDerWaalsContact NE-CE1 3.3Å; R135-Y137 PolarHBondContact NE-OH 3.01Å
138	E	98.2	Very high	96.4	Very high	19 Å²	19	57.5 Å²	57.5	9%	0.089	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	110.8	166.1	178	74	-158.2	0	0	106.3	M122 Y123 H140 A149 L150 W157 L180	M122-E138 CarbonylContact O-C 3.52Å; M122-E138 WeakPolarHBondContact O-CA 3.41Å; Y123-E138 WeakPolarHBondContact CB-OE2 3.23Å; E138-H140 IonicContact OE1-CD2 3.5Å; E138-H140 IonicContact OE1-CE1 3.22Å; E138-H140 IonicContact OE1-NE2 3.8Å; E138-H140 PolarHBondContact OE1-NE2 3.1Å; E138-A149 WeakPolarHBondContact O-CA 3.48Å; E138-L150 HydrophobicContact CB-CB 3.83Å; E138-L150 HydrophobicContact CB-CD2 4.17Å; E138-L150 PolarHBondContact O-N 3.43Å; E138-W157 HydrophobicContact CG-CH2 4.22Å; E138-W157 HydrophobicContact CG-CZ3 4.28Å; E138-L180 HydrophobicContact CB-CD1 4.49Å; E138-L180 HydrophobicContact CG-CD1 3.94Å; E138-L180 HydrophobicContact CG-CD2 4.31Å
139	Q	98.4	Very high	96.7	Very high	75 Å²	75	58.3 Å²	58.3	35%	0.35	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	133	-173.1	-57.5	-178.2	14.8	0	0	110.3	I121 M122 A149	I121-Q139 CarbonylContact C-O 3.51Å; I121-Q139 WeakPolarHBondContact CA-O 3.3Å; M122-Q139 HydrophobicContact CE-CB 4.31Å; M122-Q139 HydrophobicContact CE-CG 4.02Å; M122-Q139 PolarHBondContact N-O 3.45Å; M122-Q139 PolarHBondContact O-N 3.36Å; Q139-A149 HydrophobicContact CG-CB 4Å
140	H	98.6	Very high	97.1	Very high	22 Å²	22	55 Å²	55	10%	0.102	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.8	-178.5	-68.3	-128.4	0	0	0	109	Q120 I121 E138 Y147 I148 W171	Q120-H140 CarbonylContact O-C 3.5Å; Q120-H140 WeakPolarHBondContact O-CA 3.03Å; I121-H140 VanDerWaalsContact CD1-CE1 3.46Å; I121-H140 WeakPolarHBondContact CD1-CE1 3.35Å; E138-H140 IonicContact OE1-CD2 3.5Å; E138-H140 IonicContact OE1-CE1 3.22Å; E138-H140 IonicContact OE1-NE2 3.8Å; E138-H140 PolarHBondContact OE1-NE2 3.1Å; H140-Y147 HydrophobicContact CB-CD1 4.41Å; H140-Y147 WeakPolarHBondContact O-CA 3.41Å; H140-Y147 WeakPolarHBondContact O-CB 3.27Å; H140-Y147 PolarHBondContact O-N 2.87Å; H140-I148 HydrophobicContact CB-CG2 3.94Å; H140-I148 PolarHBondContact N-O 3.4Å; H140-I148 PolarHBondContact O-N 3.12Å; H140-W171 AromaticContact CE1-CH2 3.69Å; H140-W171 AromaticContact NE2-CH2 3.72Å
141	A	98.8	Very high	97.6	Very high	17 Å²	17	53.1 Å²	53.1	14%	0.14	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146.5	173.8	0	0	0	0	0	110.5	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 3.34Å; Q120-A141 HydrophobicContact CB-CB 4.34Å; Q120-A141 PolarHBondContact N-O 2.64Å; Q120-A141 PolarHBondContact O-N 2.81Å; A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.1Å; A141-K145 VanDerWaalsContact CB-O 3.27Å; A141-K145 WeakPolarHBondContact CB-O 3.38Å
142	Y	98.6	Very high	97.8	Very high	11 Å²	11	59 Å²	59	4%	0.043	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.4	177.8	-175.1	-115.4	0	0	0	110.3	L102 L105 Y109 Q111 H117 T118 I119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.37Å; L105-Y142 HydrophobicContact CB-CD1 4.46Å; L105-Y142 HydrophobicContact CB-CD2 4.08Å; L105-Y142 HydrophobicContact CB-CE1 4.16Å; L105-Y142 HydrophobicContact CB-CE2 3.73Å; L105-Y142 HydrophobicContact CB-CG 4.41Å; L105-Y142 HydrophobicContact CD1-CD2 3.41Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.41Å; L105-Y142 HydrophobicContact CD1-CE2 3.85Å; L105-Y142 HydrophobicContact CD1-CG 3.84Å; L105-Y142 HydrophobicContact CG-CD2 4.37Å; L105-Y142 HydrophobicContact CG-CE2 4.46Å; Y109-Y142 AromaticContact CD2-CD1 3.75Å; Y109-Y142 HydrophobicContact CD2-CD1 3.75Å; Y109-Y142 AromaticContact CD2-CE1 3.55Å; Y109-Y142 HydrophobicContact CD2-CE1 3.55Å; Y109-Y142 AromaticContact CE2-CD1 3.57Å; Y109-Y142 HydrophobicContact CE2-CD1 3.57Å; Y109-Y142 AromaticContact CE2-CE1 3.89Å; Y109-Y142 HydrophobicContact CE2-CE1 3.89Å; Y109-Y142 HydrophobicContact CE2-CG 4.48Å; Y109-Y142 HydrophobicContact CG-CE1 4.4Å; Q111-Y142 VanDerWaalsContact OE1-CE1 3.32Å; Q111-Y142 PolarHBondContact OE1-OH 3.22Å; H117-Y142 HydrophobicContact CB-CE2 3.89Å; H117-Y142 WeakPolarHBondContact CB-OH 3.44Å; H117-Y142 AromaticContact CG-CZ 4Å; H117-Y142 AromaticContact ND1-CZ 3.92Å; H117-Y142 PolarHBondContact ND1-OH 3.15Å; T118-Y142 CarbonylContact O-C 3.57Å; T118-Y142 WeakPolarHBondContact O-CA 3.21Å; T118-Y142 VanDerWaalsContact O-CD2 3.32Å; T118-Y142 WeakPolarHBondContact O-CD2 3.29Å; I119-Y142 HydrophobicContact CG1-CD2 3.84Å; I119-Y142 HydrophobicContact CG1-CE2 4.29Å; Y142-G144 PolarHBondContact O-N 3.42Å; Y142-K145 PolarHBondContact N-O 3.43Å; Y142-K145 PolarHBondContact O-N 2.86Å
143	D	97.9	Very high	97.9	Very high	60 Å²	60	54.8 Å²	54.8	32%	0.321	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	39.6	-175.6	-67.2	-20.8	0	0	0	113.1	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 2.99Å; H117-D143 WeakPolarHBondContact CA-OD1 3.31Å; H117-D143 IonicContact CE1-OD2 3.72Å; H117-D143 IonicContact CG-OD1 3.67Å; H117-D143 IonicContact CG-OD2 3.86Å; H117-D143 IonicContact ND1-OD1 3.51Å; H117-D143 PolarHBondContact ND1-OD1 3.01Å; H117-D143 IonicContact ND1-OD2 2.76Å; H117-D143 PolarHBondContact ND1-OD2 2.85Å; T118-D143 PolarHBondContact N-OD1 2.91Å; T118-D143 PolarHBondContact O-N 2.93Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 2.76Å
144	G	96.9	Very high	97.9	Very high	58 Å²	58	52.6 Å²	52.6	60%	0.598	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	11.8	178.4	0	0	0	0	0	115.1	Y142	Y142-G144 PolarHBondContact O-N 3.42Å
145	K	98.3	Very high	98	Very high	160 Å²	160	55.6 Å²	55.6	70%	0.696	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	145	176.5	-62.4	178.3	-176.6	175.4	0	110.6	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.1Å; A141-K145 VanDerWaalsContact CB-O 3.27Å; A141-K145 WeakPolarHBondContact CB-O 3.38Å; Y142-K145 PolarHBondContact N-O 3.43Å; Y142-K145 PolarHBondContact O-N 2.86Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 2.76Å; K145-Y147 PolarHBondContact O-N 3.12Å
146	D	98.6	Very high	98	Very high	129 Å²	129	53.2 Å²	53.2	69%	0.69	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.1	135.5	173.7	-62.8	-23.3	0	0	0	110.6	A160	D146-A160 HydrophobicContact CB-CB 4.29Å; D146-A160 WeakPolarHBondContact O-CB 3.38Å
147	Y	98.7	Very high	98	Very high	10 Å²	10	53.1 Å²	53.1	4%	0.039	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-65	179.2	-179.8	-110.9	0	0	0	110.5	L105 Y109 H140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.47Å; L105-Y147 HydrophobicContact CD2-CD2 4.32Å; L105-Y147 HydrophobicContact CD2-CE1 3.76Å; L105-Y147 HydrophobicContact CD2-CE2 3.56Å; L105-Y147 VanDerWaalsContact CD2-OH 3.27Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.43Å; Y109-Y147 HydrophobicContact CE2-CD2 4.37Å; Y109-Y147 HydrophobicContact CE2-CE2 4.09Å; Y109-Y147 WeakPolarHBondContact OH-CD2 2.85Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.47Å; H140-Y147 HydrophobicContact CB-CD1 4.41Å; H140-Y147 WeakPolarHBondContact O-CA 3.41Å; H140-Y147 WeakPolarHBondContact O-CB 3.27Å; H140-Y147 PolarHBondContact O-N 2.87Å; K145-Y147 PolarHBondContact O-N 3.12Å; Y147-A160 WeakPolarHBondContact O-CB 3.41Å; Y147-A160 PolarHBondContact O-N 2.92Å; Y147-A163 HydrophobicContact CE2-CB 4.45Å; Y147-A163 PolarHBondContact OH-O 3.01Å; Y147-A164 HydrophobicContact CD2-CB 3.77Å; Y147-A164 HydrophobicContact CE1-CB 4.48Å; Y147-A164 VanDerWaalsContact CE2-CA 3.47Å; Y147-A164 HydrophobicContact CE2-CB 3.62Å; Y147-A164 HydrophobicContact CG-CB 4.27Å; Y147-A164 WeakPolarHBondContact O-CB 3.44Å; Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 WeakPolarHBondContact OH-CB 3.38Å; Y147-T167 PolarHBondContact OH-OG1 2.88Å
148	I	98.7	Very high	98.1	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.021	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	142.9	178	-163	172.4	0	0	0	110.7	H140 W157 T158 T167 K168 W171	H140-I148 HydrophobicContact CB-CG2 3.94Å; H140-I148 PolarHBondContact N-O 3.4Å; H140-I148 PolarHBondContact O-N 3.12Å; I148-W157 HydrophobicContact CD1-CB 4.24Å; I148-W157 HydrophobicContact CD1-CD2 4.39Å; I148-W157 HydrophobicContact CD1-CE3 4.14Å; I148-W157 HydrophobicContact CD1-CG 4.47Å; I148-W157 HydrophobicContact CG1-CB 4.38Å; I148-W157 HydrophobicContact CG1-CE3 4.01Å; I148-T158 WeakPolarHBondContact CA-O 3.2Å; I148-T158 WeakPolarHBondContact CG1-O 3.47Å; I148-T167 HydrophobicContact CD1-CG2 4.08Å; I148-K168 HydrophobicContact CD1-CB 3.87Å; I148-W171 HydrophobicContact CD1-CE3 4.11Å; I148-W171 HydrophobicContact CD1-CZ3 4.41Å; I148-W171 HydrophobicContact CG2-CH2 4.17Å; I148-W171 HydrophobicContact CG2-CZ3 3.86Å
149	A	98.7	Very high	98.1	Very high	27 Å²	27	55.1 Å²	55.1	22%	0.223	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	139.2	179.3	0	0	0	0	0	111.5	E138 Q139 W157 T158	E138-A149 WeakPolarHBondContact O-CA 3.48Å; Q139-A149 HydrophobicContact CG-CB 4Å; A149-W157 WeakPolarHBondContact O-CA 3.39Å; A149-T158 PolarHBondContact N-O 3.17Å; A149-T158 PolarHBondContact O-N 3.47Å
150	L	98.7	Very high	98.1	Very high	13 Å²	13	54.4 Å²	54.4	7%	0.068	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	129.9	169.2	-174.7	65.8	0	0	0	109	E138 L154 W157 A177 L180 L184	E138-L150 HydrophobicContact CB-CB 3.83Å; E138-L150 HydrophobicContact CB-CD2 4.17Å; E138-L150 PolarHBondContact O-N 3.43Å; L150-L154 HydrophobicContact CD2-CB 4.44Å; L150-L154 HydrophobicContact CD2-CD2 3.73Å; L150-L154 HydrophobicContact CG-CD2 4.29Å; L150-W157 HydrophobicContact CB-CE3 4.03Å; L150-W157 HydrophobicContact CB-CH2 4.13Å; L150-W157 HydrophobicContact CB-CZ3 3.67Å; L150-W157 HydrophobicContact CD1-CD2 4.13Å; L150-W157 HydrophobicContact CD1-CE3 4.24Å; L150-W157 HydrophobicContact CD1-CH2 4.06Å; L150-W157 HydrophobicContact CD1-CZ2 3.93Å; L150-W157 HydrophobicContact CD1-CZ3 4.2Å; L150-A177 HydrophobicContact CD1-CB 4Å; L150-L180 HydrophobicContact CD2-CB 4.37Å; L150-L184 HydrophobicContact CD2-CD1 3.88Å
151	N	98.3	Very high	98.1	Very high	46 Å²	46	56.2 Å²	56.2	25%	0.246	31%	0.311	C	S	.	.			trans	-73.9	163.9	179.9	-68.4	-30.7	0	0	0	111.5	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.83Å; N151-L154 PolarHBondContact O-N 2.81Å; N151-S156 VanDerWaalsContact CB-O 3.29Å; N151-S156 WeakPolarHBondContact CB-O 3.01Å; N151-S156 WeakPolarHBondContact CB-OG 3.37Å; N151-S156 PolarHBondContact N-O 2.82Å; N151-S156 PolarHBondContact ND2-O 2.71Å; N151-S156 PolarHBondContact ND2-OG 3.2Å; N151-T158 PolarHBondContact ND2-OG1 2.73Å; N151-T158 WeakPolarHBondContact OD1-CB 3.39Å; N151-T158 PolarHBondContact OD1-OG1 3.2Å
152	E	96.6	Very high	98	Very high	139 Å²	139	62.5 Å²	62.5	65%	0.65	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.2	-179.8	-64.1	-177.3	-174.6	0	0	113.7	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.48Å; R135-E152 IonicContact CZ-OE1 3.91Å; R135-E152 IonicContact NH1-OE1 3.48Å; R135-E152 PolarHBondContact NH1-OE1 2.93Å; R135-E152 IonicContact NH1-OE2 3.92Å; R135-E152 VanDerWaalsContact NH2-CG 3.28Å; R135-E152 IonicContact NH2-OE1 3.52Å; R135-E152 PolarHBondContact NH2-OE1 2.7Å; E152-L154 PolarHBondContact O-N 3.06Å
153	D	96.8	Very high	98	Very high	78 Å²	78	62.4 Å²	62.4	42%	0.417	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-8.5	175.3	68.7	6.8	0	0	0	114	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.83Å; D153-R155 WeakPolarHBondContact O-CG 3.31Å; D153-R155 PolarHBondContact O-N 2.98Å; D153-R155 PolarHBondContact OD1-N 2.85Å; D153-S156 VanDerWaalsContact CG-OG 3.26Å; D153-S156 PolarHBondContact OD1-N 2.81Å; D153-S156 PolarHBondContact OD1-OG 2.91Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.36Å; D153-S156 PolarHBondContact OD2-OG 2.75Å
154	L	97.3	Very high	98	Very high	7 Å²	7	59.6 Å²	59.6	4%	0.037	33%	0.325	C	S	.	.	S	Bend	trans	52.6	30.5	-175	-52.2	176.6	0	0	0	113.6	F133 L150 N151 E152 R181 L184	F133-L154 HydrophobicContact CE1-CD1 3.92Å; F133-L154 HydrophobicContact CZ-CD1 3.68Å; L150-L154 HydrophobicContact CD2-CB 4.44Å; L150-L154 HydrophobicContact CD2-CD2 3.73Å; L150-L154 HydrophobicContact CG-CD2 4.29Å; N151-L154 PolarHBondContact O-N 2.81Å; E152-L154 PolarHBondContact O-N 3.06Å; L154-R181 HydrophobicContact CB-CB 4.1Å; L154-R181 HydrophobicContact CB-CG 3.95Å; L154-R181 HydrophobicContact CD1-CG 4.04Å; L154-L184 HydrophobicContact CD2-CD1 4.18Å
155	R	96.9	Very high	98	Very high	167 Å²	167	59.5 Å²	59.5	63%	0.63	31%	0.309	S	S	*	.	S	Bend	trans	-136.1	-31.8	-175.5	-70.7	172.1	-176	-95	12.8	112.5	D153	D153-R155 WeakPolarHBondContact O-CG 3.31Å; D153-R155 PolarHBondContact O-N 2.98Å; D153-R155 PolarHBondContact OD1-N 2.85Å
156	S	97.5	Very high	98	Very high	37 Å²	37	54.8 Å²	54.8	26%	0.259	29%	0.291	S	S	.	.			trans	-116.5	159.5	-176.3	66.2	0	0	0	0	111.9	N151 D153	N151-S156 VanDerWaalsContact CB-O 3.29Å; N151-S156 WeakPolarHBondContact CB-O 3.01Å; N151-S156 WeakPolarHBondContact CB-OG 3.37Å; N151-S156 PolarHBondContact N-O 2.82Å; N151-S156 PolarHBondContact ND2-O 2.71Å; N151-S156 PolarHBondContact ND2-OG 3.2Å; D153-S156 VanDerWaalsContact CG-OG 3.26Å; D153-S156 PolarHBondContact OD1-N 2.81Å; D153-S156 PolarHBondContact OD1-OG 2.91Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.36Å; D153-S156 PolarHBondContact OD2-OG 2.75Å
157	W	98.6	Very high	98	Very high	3 Å²	3	49.4 Å²	49.4	1%	0.011	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	140.4	-175.6	-62.3	95	0	0	0	111.7	E138 I148 A149 L150 K168 W171 E176 A177 L180	E138-W157 HydrophobicContact CG-CH2 4.22Å; E138-W157 HydrophobicContact CG-CZ3 4.28Å; I148-W157 HydrophobicContact CD1-CB 4.24Å; I148-W157 HydrophobicContact CD1-CD2 4.39Å; I148-W157 HydrophobicContact CD1-CE3 4.14Å; I148-W157 HydrophobicContact CD1-CG 4.47Å; I148-W157 HydrophobicContact CG1-CB 4.38Å; I148-W157 HydrophobicContact CG1-CE3 4.01Å; A149-W157 WeakPolarHBondContact O-CA 3.39Å; L150-W157 HydrophobicContact CB-CE3 4.03Å; L150-W157 HydrophobicContact CB-CH2 4.13Å; L150-W157 HydrophobicContact CB-CZ3 3.67Å; L150-W157 HydrophobicContact CD1-CD2 4.13Å; L150-W157 HydrophobicContact CD1-CE3 4.24Å; L150-W157 HydrophobicContact CD1-CH2 4.06Å; L150-W157 HydrophobicContact CD1-CZ2 3.93Å; L150-W157 HydrophobicContact CD1-CZ3 4.2Å; W157-K168 HydrophobicContact CB-CD 4.14Å; W157-K168 HydrophobicContact CB-CG 4.04Å; W157-K168 WeakPolarHBondContact O-CE 3.48Å; W157-K168 PolarHBondContact O-NZ 3.17Å; W157-W171 HydrophobicContact CD2-CE3 4.06Å; W157-W171 AromaticContact CE2-CE3 3.86Å; W157-W171 AromaticContact CE3-CE3 3.91Å; W157-W171 HydrophobicContact CE3-CE3 3.91Å; W157-W171 HydrophobicContact CE3-CZ3 4.03Å; W157-W171 AromaticContact CH2-CE3 3.31Å; W157-W171 HydrophobicContact CH2-CE3 3.31Å; W157-W171 AromaticContact CH2-CZ3 3.32Å; W157-W171 HydrophobicContact CH2-CZ3 3.32Å; W157-W171 HydrophobicContact CZ2-CD2 4.44Å; W157-W171 AromaticContact CZ2-CE3 3.49Å; W157-W171 HydrophobicContact CZ2-CE3 3.49Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.49Å; W157-W171 HydrophobicContact CZ2-CZ3 4.01Å; W157-W171 AromaticContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CE3 3.56Å; W157-W171 AromaticContact CZ3-CZ3 3.35Å; W157-W171 HydrophobicContact CZ3-CZ3 3.35Å; W157-E176 HydrophobicContact CZ2-CB 4.32Å; W157-A177 HydrophobicContact CZ2-CB 4.25Å; W157-L180 HydrophobicContact CH2-CD1 3.35Å; W157-L180 HydrophobicContact CZ2-CD1 3.69Å
158	T	98.6	Very high	98	Very high	77 Å²	77	51.1 Å²	51.1	47%	0.472	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	122	166.8	-66.6	0	0	0	0	109.1	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.2Å; I148-T158 WeakPolarHBondContact CG1-O 3.47Å; A149-T158 PolarHBondContact N-O 3.17Å; A149-T158 PolarHBondContact O-N 3.47Å; N151-T158 PolarHBondContact ND2-OG1 2.73Å; N151-T158 WeakPolarHBondContact OD1-CB 3.39Å; N151-T158 PolarHBondContact OD1-OG1 3.2Å
159	A	98.6	Very high	98	Very high	17 Å²	17	58.2 Å²	58.2	14%	0.14	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	132	177.8	0	0	0	0	0	109.3	A164 Q165 K168	A159-A164 HydrophobicContact CB-CB 3.69Å; A159-Q165 HydrophobicContact CB-CG 4.29Å; A159-K168 HydrophobicContact CB-CB 4.27Å; A159-K168 HydrophobicContact CB-CD 4.18Å
160	A	98.3	Very high	98	Very high	60 Å²	60	62.7 Å²	62.7	50%	0.496	31%	0.311	S	S	.	.	S	Bend	trans	-74.8	-31.8	-173.3	0	0	0	0	0	113.3	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.29Å; D146-A160 WeakPolarHBondContact O-CB 3.38Å; Y147-A160 WeakPolarHBondContact O-CB 3.41Å; Y147-A160 PolarHBondContact O-N 2.92Å
161	D	97.9	Very high	98	Very high	61 Å²	61	64.7 Å²	64.7	33%	0.326	32%	0.318	S	S	.	.	S	Bend	trans	-149.3	-175.4	-178.5	68.4	28.5	0	0	0	113.3	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.33Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.23Å; Y109-D161 PolarHBondContact OH-OD1 2.87Å; Y109-D161 VanDerWaalsContact OH-OD1 3.13Å; Y109-D161 PolarHBondContact OH-OD2 3.34Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 3.45Å; D161-A163 WeakPolarHBondContact OD1-CA 3.43Å; D161-A163 WeakPolarHBondContact OD1-CB 3.01Å; D161-A163 PolarHBondContact OD1-N 2.91Å; D161-A164 PolarHBondContact O-N 3.46Å; D161-A164 PolarHBondContact OD1-N 2.84Å; D161-Q165 WeakPolarHBondContact O-CG 3.48Å; D161-Q165 PolarHBondContact O-N 2.91Å
162	M	97.6	Very high	97.9	Very high	148 Å²	148	66.5 Å²	66.5	73%	0.729	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-28.2	-178.4	-69.2	-58.6	-61.2	0	0	114.2
163	A	97.6	Very high	98	Very high	10 Å²	10	63.6 Å²	63.6	8%	0.083	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-44.5	175	0	0	0	0	0	109.8	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.16Å; Y109-A163 HydrophobicContact CD2-CB 4.44Å; Y109-A163 HydrophobicContact CE1-CB 3.6Å; Y109-A163 HydrophobicContact CE2-CB 3.91Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å; Y147-A163 HydrophobicContact CE2-CB 4.45Å; Y147-A163 PolarHBondContact OH-O 3.01Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 3.45Å; D161-A163 WeakPolarHBondContact OD1-CA 3.43Å; D161-A163 WeakPolarHBondContact OD1-CB 3.01Å; D161-A163 PolarHBondContact OD1-N 2.91Å; A163-Q165 PolarHBondContact O-N 3.25Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.46Å; A163-I166 PolarHBondContact O-N 3.05Å
164	A	98.4	Very high	98.1	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-60.2	-30.6	174.6	0	0	0	0	0	113.3	Y147 A159 D161 I166 T167 K168	Y147-A164 HydrophobicContact CD2-CB 3.77Å; Y147-A164 HydrophobicContact CE1-CB 4.48Å; Y147-A164 VanDerWaalsContact CE2-CA 3.47Å; Y147-A164 HydrophobicContact CE2-CB 3.62Å; Y147-A164 HydrophobicContact CG-CB 4.27Å; Y147-A164 WeakPolarHBondContact O-CB 3.44Å; A159-A164 HydrophobicContact CB-CB 3.69Å; D161-A164 PolarHBondContact O-N 3.46Å; D161-A164 PolarHBondContact OD1-N 2.84Å; A164-I166 PolarHBondContact O-N 2.87Å; A164-T167 PolarHBondContact O-N 2.86Å; A164-T167 VanDerWaalsContact O-N 3.17Å; A164-K168 PolarHBondContact O-N 2.95Å
165	Q	98.5	Very high	98	Very high	56 Å²	56	67 Å²	67	26%	0.262	35%	0.346	S	S	.	.	H	α-helix	trans	-59.9	-28.2	172.6	-68.8	-68.3	-22.1	0	0	112.8	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.29Å; D161-Q165 WeakPolarHBondContact O-CG 3.48Å; D161-Q165 PolarHBondContact O-N 2.91Å; A163-Q165 PolarHBondContact O-N 3.25Å; Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.37Å; Q165-R169 PolarHBondContact O-N 3.24Å; Q165-R169 VanDerWaalsContact O-N 3.16Å
166	I	98.2	Very high	98	Very high	62 Å²	62	61.9 Å²	61.9	32%	0.318	33%	0.329	S	S	.	.	H	α-helix	trans	-68.2	-48	175.7	-55.4	171.8	0	0	0	109.7	Y108 A163 A164 R169 K170	Y108-I166 HydrophobicContact CD1-CD1 4.24Å; Y108-I166 HydrophobicContact CD2-CD1 4.4Å; Y108-I166 HydrophobicContact CE1-CD1 4.41Å; Y108-I166 HydrophobicContact CE1-CG2 4.19Å; Y108-I166 HydrophobicContact CE2-CB 4.08Å; Y108-I166 HydrophobicContact CE2-CG2 4.01Å; Y108-I166 HydrophobicContact CG-CD1 4.24Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.46Å; A163-I166 PolarHBondContact O-N 3.05Å; A164-I166 PolarHBondContact O-N 2.87Å; I166-R169 PolarHBondContact O-N 2.91Å; I166-K170 WeakPolarHBondContact O-CG 3.47Å; I166-K170 PolarHBondContact O-N 2.87Å
167	T	98.3	Very high	98	Very high	16 Å²	16	60.6 Å²	60.6	10%	0.098	32%	0.321	C	S	.	.	H	α-helix	trans	-61.6	-46.4	175.4	-68.3	0	0	0	0	111.1	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 WeakPolarHBondContact OH-CB 3.38Å; Y147-T167 PolarHBondContact OH-OG1 2.88Å; I148-T167 HydrophobicContact CD1-CG2 4.08Å; A164-T167 PolarHBondContact O-N 2.86Å; A164-T167 VanDerWaalsContact O-N 3.17Å; T167-R169 VanDerWaalsContact C-N 3.34Å; T167-R169 PolarHBondContact O-N 3.24Å; T167-K170 WeakPolarHBondContact O-CB 3.49Å; T167-K170 PolarHBondContact O-N 3.4Å; T167-W171 HydrophobicContact CG2-CD2 3.74Å; T167-W171 HydrophobicContact CG2-CE3 4.25Å; T167-W171 HydrophobicContact CG2-CG 4.08Å; T167-W171 HydrophobicContact CG2-CH2 4.46Å; T167-W171 HydrophobicContact CG2-CZ2 3.96Å; T167-W171 PolarHBondContact O-N 2.87Å
168	K	98.6	Very high	97.9	Very high	45 Å²	45	66.5 Å²	66.5	20%	0.196	35%	0.349	C	S	.	.	H	α-helix	trans	-50.6	-51.7	177.1	174.5	170.6	176.5	171.1	0	112.2	I148 W157 A159 A164 K170 W171 E172	I148-K168 HydrophobicContact CD1-CB 3.87Å; W157-K168 HydrophobicContact CB-CD 4.14Å; W157-K168 HydrophobicContact CB-CG 4.04Å; W157-K168 WeakPolarHBondContact O-CE 3.48Å; W157-K168 PolarHBondContact O-NZ 3.17Å; A159-K168 HydrophobicContact CB-CB 4.27Å; A159-K168 HydrophobicContact CB-CD 4.18Å; A164-K168 PolarHBondContact O-N 2.95Å; K168-K170 VanDerWaalsContact C-N 3.32Å; K168-K170 PolarHBondContact O-N 2.99Å; K168-W171 PolarHBondContact O-N 3.3Å; K168-E172 WeakPolarHBondContact CE-OE1 3.27Å; K168-E172 HydrophobicContact CG-CG 4.34Å; K168-E172 IonicContact NZ-OE1 3.82Å; K168-E172 WeakPolarHBondContact O-CB 3.39Å; K168-E172 VanDerWaalsContact O-CG 3.31Å; K168-E172 WeakPolarHBondContact O-CG 3.29Å; K168-E172 PolarHBondContact O-N 2.61Å
169	R	98.6	Very high	97.7	Very high	154 Å²	154	69.1 Å²	69.1	58%	0.581	36%	0.355	S	S	*	.	H	α-helix	trans	-62.1	-38	179.7	-69.3	170.5	-167.4	161	4.7	112.7	Q165 I166 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.37Å; Q165-R169 PolarHBondContact O-N 3.24Å; Q165-R169 VanDerWaalsContact O-N 3.16Å; I166-R169 PolarHBondContact O-N 2.91Å; T167-R169 VanDerWaalsContact C-N 3.34Å; T167-R169 PolarHBondContact O-N 3.24Å; R169-A173 WeakPolarHBondContact O-CB 3.47Å; R169-A173 PolarHBondContact O-N 3.13Å
170	K	98	Very high	97.6	Very high	120 Å²	120	69.9 Å²	69.9	52%	0.522	36%	0.357	S	S	.	.	H	α-helix	trans	-65.3	-47.2	176.9	-73	178.8	172.6	-175.7	0	111	Y108 I166 T167 K168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.39Å; I166-K170 WeakPolarHBondContact O-CG 3.47Å; I166-K170 PolarHBondContact O-N 2.87Å; T167-K170 WeakPolarHBondContact O-CB 3.49Å; T167-K170 PolarHBondContact O-N 3.4Å; K168-K170 VanDerWaalsContact C-N 3.32Å; K168-K170 PolarHBondContact O-N 2.99Å; K170-A173 PolarHBondContact O-N 2.88Å; K170-A174 WeakPolarHBondContact O-CB 3.44Å; K170-A174 PolarHBondContact O-N 3.41Å
171	W	98.1	Very high	97.6	Very high	55 Å²	55	71.1 Å²	71.1	21%	0.208	35%	0.349	C	S	.	.	H	α-helix	trans	-68.8	-36.6	-179.1	-73	5.5	0	0	0	112.8	H140 I148 W157 T167 K168 A174 H175 E176	H140-W171 AromaticContact CE1-CH2 3.69Å; H140-W171 AromaticContact NE2-CH2 3.72Å; I148-W171 HydrophobicContact CD1-CE3 4.11Å; I148-W171 HydrophobicContact CD1-CZ3 4.41Å; I148-W171 HydrophobicContact CG2-CH2 4.17Å; I148-W171 HydrophobicContact CG2-CZ3 3.86Å; W157-W171 HydrophobicContact CD2-CE3 4.06Å; W157-W171 AromaticContact CE2-CE3 3.86Å; W157-W171 AromaticContact CE3-CE3 3.91Å; W157-W171 HydrophobicContact CE3-CE3 3.91Å; W157-W171 HydrophobicContact CE3-CZ3 4.03Å; W157-W171 AromaticContact CH2-CE3 3.31Å; W157-W171 HydrophobicContact CH2-CE3 3.31Å; W157-W171 AromaticContact CH2-CZ3 3.32Å; W157-W171 HydrophobicContact CH2-CZ3 3.32Å; W157-W171 HydrophobicContact CZ2-CD2 4.44Å; W157-W171 AromaticContact CZ2-CE3 3.49Å; W157-W171 HydrophobicContact CZ2-CE3 3.49Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.49Å; W157-W171 HydrophobicContact CZ2-CZ3 4.01Å; W157-W171 AromaticContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CE3 3.56Å; W157-W171 AromaticContact CZ3-CZ3 3.35Å; W157-W171 HydrophobicContact CZ3-CZ3 3.35Å; T167-W171 HydrophobicContact CG2-CD2 3.74Å; T167-W171 HydrophobicContact CG2-CE3 4.25Å; T167-W171 HydrophobicContact CG2-CG 4.08Å; T167-W171 HydrophobicContact CG2-CH2 4.46Å; T167-W171 HydrophobicContact CG2-CZ2 3.96Å; T167-W171 PolarHBondContact O-N 2.87Å; K168-W171 PolarHBondContact O-N 3.3Å; W171-A174 CarbonylContact O-C 3.55Å; W171-A174 PolarHBondContact O-N 3.12Å; W171-H175 PolarHBondContact O-N 3.08Å; W171-E176 HydrophobicContact CB-CB 4.03Å; W171-E176 HydrophobicContact CB-CG 3.83Å; W171-E176 HydrophobicContact CD2-CG 4.47Å; W171-E176 HydrophobicContact CG-CB 4.27Å; W171-E176 HydrophobicContact CG-CG 3.84Å; W171-E176 PolarHBondContact O-N 3.31Å
172	E	98.3	Very high	97.6	Very high	85 Å²	85	71.3 Å²	71.3	40%	0.397	36%	0.358	S	S	.	.	H	α-helix	trans	-63.7	-44.4	171.8	-74.2	174.5	161.2	0	0	111.4	K168 A174 H175	K168-E172 WeakPolarHBondContact CE-OE1 3.27Å; K168-E172 HydrophobicContact CG-CG 4.34Å; K168-E172 IonicContact NZ-OE1 3.82Å; K168-E172 WeakPolarHBondContact O-CB 3.39Å; K168-E172 VanDerWaalsContact O-CG 3.31Å; K168-E172 WeakPolarHBondContact O-CG 3.29Å; K168-E172 PolarHBondContact O-N 2.61Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 3.12Å; E172-H175 PolarHBondContact O-N 3.09Å
173	A	98.1	Very high	97.6	Very high	78 Å²	78	67.4 Å²	67.4	65%	0.645	34%	0.336	S	S	*	.	H	α-helix	trans	-66.5	-29.1	177	0	0	0	0	0	113.2	R169 K170	R169-A173 WeakPolarHBondContact O-CB 3.47Å; R169-A173 PolarHBondContact O-N 3.13Å; K170-A173 PolarHBondContact O-N 2.88Å
174	A	97.6	Very high	97.6	Very high	47 Å²	47	66.9 Å²	66.9	39%	0.388	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-1	177	0	0	0	0	0	113.7	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.44Å; K170-A174 PolarHBondContact O-N 3.41Å; W171-A174 CarbonylContact O-C 3.55Å; W171-A174 PolarHBondContact O-N 3.12Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 3.12Å; A174-E176 HydrophobicContact CB-CG 4.02Å; A174-E176 PolarHBondContact O-N 3.44Å
175	H	96.8	Very high	97.5	Very high	109 Å²	109	70.3 Å²	70.3	51%	0.505	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	33.7	-177.5	-62.2	-93.1	0	0	0	114.1	W171 E172 A177 E178	W171-H175 PolarHBondContact O-N 3.08Å; E172-H175 PolarHBondContact O-N 3.09Å; H175-A177 PolarHBondContact O-N 3.44Å; H175-E178 HydrophobicContact CB-CG 4.38Å; H175-E178 IonicContact CG-OE1 3.11Å; H175-E178 IonicContact ND1-OE1 2.7Å; H175-E178 PolarHBondContact ND1-OE1 3.41Å; H175-E178 WeakPolarHBondContact O-CB 3.21Å; H175-E178 PolarHBondContact O-N 3.21Å
176	E	96.8	Very high	97.4	Very high	60 Å²	60	68.8 Å²	68.8	28%	0.28	35%	0.35	S	S	.	.	H	α-helix	trans	-58.4	-34.5	-175.7	-65.6	-66.6	174	0	0	113	W157 W171 A174 E178 Q179 L180	W157-E176 HydrophobicContact CZ2-CB 4.32Å; W171-E176 HydrophobicContact CB-CB 4.03Å; W171-E176 HydrophobicContact CB-CG 3.83Å; W171-E176 HydrophobicContact CD2-CG 4.47Å; W171-E176 HydrophobicContact CG-CB 4.27Å; W171-E176 HydrophobicContact CG-CG 3.84Å; W171-E176 PolarHBondContact O-N 3.31Å; A174-E176 HydrophobicContact CB-CG 4.02Å; A174-E176 PolarHBondContact O-N 3.44Å; E176-E178 PolarHBondContact O-N 3.11Å; E176-Q179 PolarHBondContact O-N 3.44Å; E176-L180 PolarHBondContact O-N 3.26Å
177	A	97.6	Very high	97.4	Very high	9 Å²	9	68.6 Å²	68.6	7%	0.074	35%	0.352	C	S	.	.	H	α-helix	trans	-60.2	-30.6	178.5	0	0	0	0	0	112.8	L150 W157 H175 R181	L150-A177 HydrophobicContact CD1-CB 4Å; W157-A177 HydrophobicContact CZ2-CB 4.25Å; H175-A177 PolarHBondContact O-N 3.44Å; A177-R181 WeakPolarHBondContact O-CB 3.5Å; A177-R181 PolarHBondContact O-N 2.83Å
178	E	96.3	Very high	97.4	Very high	128 Å²	128	67.9 Å²	67.9	60%	0.598	35%	0.347	S	S	*	.	H	α-helix	trans	-69.7	-40.3	179.2	-63.3	178.9	-160.8	0	0	111.5	H175 E176 A182	H175-E178 HydrophobicContact CB-CG 4.38Å; H175-E178 IonicContact CG-OE1 3.11Å; H175-E178 IonicContact ND1-OE1 2.7Å; H175-E178 PolarHBondContact ND1-OE1 3.41Å; H175-E178 WeakPolarHBondContact O-CB 3.21Å; H175-E178 PolarHBondContact O-N 3.21Å; E176-E178 PolarHBondContact O-N 3.11Å; E178-A182 PolarHBondContact O-N 3.2Å; E178-A182 VanDerWaalsContact O-N 3.11Å
179	Q	94.6	Very high	97.4	Very high	132 Å²	132	66 Å²	66	62%	0.617	34%	0.339	S	S	*	.	H	α-helix	trans	-67.7	-46.8	176.7	-60.6	-173.6	23	0	0	111.1	E176 R181 A182 Y183	E176-Q179 PolarHBondContact O-N 3.44Å; Q179-R181 VanDerWaalsContact C-N 3.33Å; Q179-R181 PolarHBondContact O-N 3.09Å; Q179-A182 PolarHBondContact O-N 3.12Å; Q179-Y183 PolarHBondContact O-N 3.1Å; Q179-Y183 VanDerWaalsContact O-N 3.12Å
180	L	96.8	Very high	97.3	Very high	33 Å²	33	64.8 Å²	64.8	17%	0.173	34%	0.34	C	S	.	.	H	α-helix	trans	-61.3	-43	177.4	-72.8	166.9	0	0	0	111.4	E138 L150 W157 E176 A182 Y183 L184	E138-L180 HydrophobicContact CB-CD1 4.49Å; E138-L180 HydrophobicContact CG-CD1 3.94Å; E138-L180 HydrophobicContact CG-CD2 4.31Å; L150-L180 HydrophobicContact CD2-CB 4.37Å; W157-L180 HydrophobicContact CH2-CD1 3.35Å; W157-L180 HydrophobicContact CZ2-CD1 3.69Å; E176-L180 PolarHBondContact O-N 3.26Å; L180-A182 VanDerWaalsContact C-N 3.33Å; L180-A182 PolarHBondContact O-N 3.34Å; L180-Y183 PolarHBondContact O-N 3.48Å; L180-L184 HydrophobicContact CB-CD1 4.48Å; L180-L184 WeakPolarHBondContact O-CB 3.2Å; L180-L184 WeakPolarHBondContact O-CG 3.05Å; L180-L184 PolarHBondContact O-N 3.39Å
181	R	97.4	Very high	97.3	Very high	86 Å²	86	62.4 Å²	62.4	33%	0.325	33%	0.328	S	S	.	.	H	α-helix	trans	-59.6	-43.7	175.9	-178.6	175.9	176.2	-157	-3.4	112.2	L154 A177 Q179 Y183 L184 D185	L154-R181 HydrophobicContact CB-CB 4.1Å; L154-R181 HydrophobicContact CB-CG 3.95Å; L154-R181 HydrophobicContact CD1-CG 4.04Å; A177-R181 WeakPolarHBondContact O-CB 3.5Å; A177-R181 PolarHBondContact O-N 2.83Å; Q179-R181 VanDerWaalsContact C-N 3.33Å; Q179-R181 PolarHBondContact O-N 3.09Å; R181-Y183 VanDerWaalsContact C-N 3.27Å; R181-Y183 PolarHBondContact O-N 3.26Å; R181-L184 PolarHBondContact O-N 3.39Å; R181-D185 WeakPolarHBondContact O-CB 3.08Å; R181-D185 PolarHBondContact O-N 3.46Å
182	A	97.2	Very high	97.3	Very high	64 Å²	64	59.8 Å²	59.8	53%	0.529	32%	0.318	S	S	.	.	H	α-helix	trans	-61.1	-37.5	178.4	0	0	0	0	0	112	E178 Q179 L180 G186	E178-A182 PolarHBondContact O-N 3.2Å; E178-A182 VanDerWaalsContact O-N 3.11Å; Q179-A182 PolarHBondContact O-N 3.12Å; L180-A182 VanDerWaalsContact C-N 3.33Å; L180-A182 PolarHBondContact O-N 3.34Å; A182-G186 WeakPolarHBondContact O-CA 3.47Å; A182-G186 PolarHBondContact O-N 2.91Å
183	Y	97.3	Very high	97.2	Very high	66 Å²	66	61.2 Å²	61.2	26%	0.259	32%	0.32	S	S	.	.	I	π-helix	trans	-69.7	-50.6	173.3	173	-98.4	0	0	0	112.3	Y123 Q179 L180 R181 G186 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.99Å; Y123-Y183 HydrophobicContact CD2-CE1 3.99Å; Y123-Y183 AromaticContact CE2-CE1 3.96Å; Y123-Y183 HydrophobicContact CE2-CE1 3.96Å; Q179-Y183 PolarHBondContact O-N 3.1Å; Q179-Y183 VanDerWaalsContact O-N 3.12Å; L180-Y183 PolarHBondContact O-N 3.48Å; R181-Y183 VanDerWaalsContact C-N 3.27Å; R181-Y183 PolarHBondContact O-N 3.26Å; Y183-G186 CarbonylContact O-C 3.56Å; Y183-G186 PolarHBondContact O-N 3.35Å; Y183-T187 HydrophobicContact CD2-CG2 4.08Å; Y183-T187 HydrophobicContact CE2-CG2 4.05Å; Y183-T187 PolarHBondContact O-N 3.05Å; Y183-T187 VanDerWaalsContact O-N 3.09Å; Y183-C188 HydrophobicContact CD1-CB 4.39Å; Y183-C188 HydrophobicContact CE1-CB 4.01Å; Y183-C188 WeakPolarHBondContact O-CB 3.45Å; Y183-C188 PolarHBondContact O-N 3.02Å
184	L	98.1	Very high	97.1	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.31	C	S	.	.	I	π-helix	trans	-67.9	-41.5	-171.7	-68.3	171.6	0	0	0	113.3	G124 C125 F133 L150 L154 L180 R181	G124-L184 WeakPolarHBondContact O-CD2 3.21Å; C125-L184 WeakPolarHBondContact CB-O 3.38Å; F133-L184 WeakPolarHBondContact CE2-O 3.4Å; L150-L184 HydrophobicContact CD2-CD1 3.88Å; L154-L184 HydrophobicContact CD2-CD1 4.18Å; L180-L184 HydrophobicContact CB-CD1 4.48Å; L180-L184 WeakPolarHBondContact O-CB 3.2Å; L180-L184 WeakPolarHBondContact O-CG 3.05Å; L180-L184 PolarHBondContact O-N 3.39Å; R181-L184 PolarHBondContact O-N 3.39Å
185	D	96.4	Very high	97.1	Very high	71 Å²	71	60.8 Å²	60.8	38%	0.38	29%	0.292	S	S	.	.	I	π-helix	trans	-87.7	-14.5	179.5	-170.4	9.1	0	0	0	112.3	F133 R181	F133-D185 WeakPolarHBondContact CB-OD1 3.36Å; F133-D185 HydrophobicContact CD1-CB 4.38Å; F133-D185 WeakPolarHBondContact CD1-OD1 3.43Å; F133-D185 HydrophobicContact CD2-CB 4.47Å; F133-D185 HydrophobicContact CE1-CB 4.4Å; F133-D185 HydrophobicContact CE2-CB 4.46Å; F133-D185 HydrophobicContact CG-CB 4.41Å; F133-D185 WeakPolarHBondContact CG-OD1 3.33Å; F133-D185 HydrophobicContact CZ-CB 4.43Å; R181-D185 WeakPolarHBondContact O-CB 3.08Å; R181-D185 PolarHBondContact O-N 3.46Å
186	G	97.2	Very high	97.1	Very high	25 Å²	25	56.2 Å²	56.2	26%	0.258	27%	0.271	S	S	.	.	I	π-helix	trans	-111.6	-92.2	-179.6	0	0	0	0	0	112.4	A182 Y183 C188 V189 E190	A182-G186 WeakPolarHBondContact O-CA 3.47Å; A182-G186 PolarHBondContact O-N 2.91Å; Y183-G186 CarbonylContact O-C 3.56Å; Y183-G186 PolarHBondContact O-N 3.35Å; G186-C188 VanDerWaalsContact C-N 3.33Å; G186-C188 PolarHBondContact O-N 3.25Å; G186-V189 WeakPolarHBondContact O-CB 3.01Å; G186-V189 PolarHBondContact O-N 2.85Å; G186-V189 VanDerWaalsContact O-N 3.1Å; G186-E190 PolarHBondContact O-N 3.39Å
187	T	97.3	Very high	97	Very high	58 Å²	58	59.2 Å²	59.2	36%	0.356	29%	0.285	S	S	.	.	I	π-helix	trans	-56.8	-40.6	-170.9	-56.7	0	0	0	0	113.5	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 4.08Å; Y183-T187 HydrophobicContact CE2-CG2 4.05Å; Y183-T187 PolarHBondContact O-N 3.05Å; Y183-T187 VanDerWaalsContact O-N 3.09Å; T187-V189 PolarHBondContact O-N 3.13Å; T187-E190 PolarHBondContact O-N 2.81Å; T187-W191 PolarHBondContact O-N 2.9Å
188	C	98.2	Very high	96.9	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.3	-45.9	177.7	-177.7	0	0	0	0	111.5	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.13Å; M29-C188 VanDerWaalsContact CE-O 3.29Å; M29-C188 WeakPolarHBondContact CE-O 3.42Å; M29-C188 WeakPolarHBondContact CE-SG 3.33Å; C125-C188 HydrophobicContact CB-CB 3.89Å; C125-C188 WeakPolarHBondContact CB-SG 3.33Å; C125-C188 PolarHBondContact N-SG 3.15Å; C125-C188 VanDerWaalsContact N-SG 3.36Å; C125-C188 WeakPolarHBondContact SG-CB 3.25Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.26Å; Y183-C188 HydrophobicContact CD1-CB 4.39Å; Y183-C188 HydrophobicContact CE1-CB 4.01Å; Y183-C188 WeakPolarHBondContact O-CB 3.45Å; Y183-C188 PolarHBondContact O-N 3.02Å; G186-C188 VanDerWaalsContact C-N 3.33Å; G186-C188 PolarHBondContact O-N 3.25Å; C188-W191 PolarHBondContact O-N 3.11Å; C188-L192 WeakPolarHBondContact O-CB 3.35Å; C188-L192 PolarHBondContact O-N 3.22Å
189	V	98.2	Very high	96.8	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.03	27%	0.268	C	S	.	.	H	α-helix	trans	-64.9	-41.2	178.8	173.2	0	0	0	0	111.2	C125 V127 F133 G186 T187 L192 R193	C125-V189 HydrophobicContact CB-CG2 4.43Å; V127-V189 HydrophobicContact CG1-CB 4.35Å; V127-V189 HydrophobicContact CG1-CG1 3.84Å; V127-V189 HydrophobicContact CG1-CG2 4.04Å; F133-V189 HydrophobicContact CB-CG2 4.01Å; F133-V189 HydrophobicContact CD2-CG2 3.6Å; F133-V189 HydrophobicContact CG-CG2 4.27Å; G186-V189 WeakPolarHBondContact O-CB 3.01Å; G186-V189 PolarHBondContact O-N 2.85Å; G186-V189 VanDerWaalsContact O-N 3.1Å; T187-V189 PolarHBondContact O-N 3.13Å; V189-L192 PolarHBondContact O-N 3.18Å; V189-R193 WeakPolarHBondContact O-CG 3.17Å; V189-R193 PolarHBondContact O-N 2.9Å
190	E	97.9	Very high	96.7	Very high	129 Å²	129	54.3 Å²	54.3	60%	0.603	26%	0.261	S	S	*	.	H	α-helix	trans	-61.7	-45.9	176.9	-70.3	179	169.2	0	0	111.9	G186 T187 R194	G186-E190 PolarHBondContact O-N 3.39Å; T187-E190 PolarHBondContact O-N 2.81Å; E190-R194 PolarHBondContact O-N 3.02Å; E190-R194 VanDerWaalsContact O-N 3.12Å
191	W	97.8	Very high	96.4	Very high	71 Å²	71	61.4 Å²	61.4	27%	0.269	29%	0.294	S	S	.	.	H	α-helix	trans	-65	-45.1	176.2	-81.4	115.5	0	0	0	112.4	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 3.97Å; M29-W191 HydrophobicContact SD-CB 4.33Å; Y83-W191 AromaticContact CD2-CH2 3.53Å; Y83-W191 HydrophobicContact CD2-CH2 3.53Å; Y83-W191 HydrophobicContact CD2-CZ2 4.15Å; Y83-W191 AromaticContact CD2-CZ3 3.93Å; Y83-W191 HydrophobicContact CD2-CZ3 3.93Å; Y83-W191 HydrophobicContact CE2-CE3 4.45Å; Y83-W191 AromaticContact CE2-CH2 3.87Å; Y83-W191 HydrophobicContact CE2-CH2 3.87Å; Y83-W191 HydrophobicContact CE2-CZ2 4.35Å; Y83-W191 AromaticContact CE2-CZ3 3.92Å; Y83-W191 HydrophobicContact CE2-CZ3 3.92Å; T187-W191 PolarHBondContact O-N 2.9Å; C188-W191 PolarHBondContact O-N 3.11Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 3.06Å; W191-R194 WeakPolarHBondContact O-CB 3.47Å; W191-R194 PolarHBondContact O-N 2.87Å; W191-R194 VanDerWaalsContact O-N 3.12Å; W191-Y195 HydrophobicContact CB-CE2 4.02Å; W191-Y195 HydrophobicContact CE3-CD1 4.43Å; W191-Y195 AromaticContact CE3-CE1 3.48Å; W191-Y195 HydrophobicContact CE3-CE1 3.48Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.48Å; W191-Y195 HydrophobicContact CE3-CE2 4.35Å; W191-Y195 AromaticContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.43Å; W191-Y195 AromaticContact CZ3-CE1 3.89Å; W191-Y195 HydrophobicContact CZ3-CE1 3.89Å; W191-Y195 WeakPolarHBondContact O-CD2 3.48Å; W191-Y195 VanDerWaalsContact O-CG 3.26Å; W191-Y195 PolarHBondContact O-N 3.03Å
192	L	98	Very high	96.1	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.3	-45.4	178	175.6	51.9	0	0	0	111.3	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.41Å; M29-L192 HydrophobicContact CB-CB 4.1Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 4.14Å; M29-L192 HydrophobicContact CB-CG 4.31Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.31Å; V127-L192 HydrophobicContact CB-CD2 4.33Å; V127-L192 HydrophobicContact CG1-CD2 3.94Å; V127-L192 HydrophobicContact CG2-CD2 3.61Å; V127-L192 HydrophobicContact CG2-CG 4.14Å; C188-L192 WeakPolarHBondContact O-CB 3.35Å; C188-L192 PolarHBondContact O-N 3.22Å; V189-L192 PolarHBondContact O-N 3.18Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.09Å; L192-Y195 PolarHBondContact O-N 3.44Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.46Å; L192-L196 HydrophobicContact CD1-CG 3.89Å; L192-L196 HydrophobicContact CG-CD1 4Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 WeakPolarHBondContact O-CB 3.34Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.46Å; L192-L196 PolarHBondContact O-N 2.97Å
193	R	96.6	Very high	95.8	Very high	115 Å²	115	56.6 Å²	56.6	43%	0.434	27%	0.267	S	S	.	.	H	α-helix	trans	-59.5	-43.4	175.2	-72.5	175.1	-174.8	164.3	3.3	112.3	G131 V189 W191 L196 E197	G131-R193 PolarHBondContact O-NE 2.04Å; G131-R193 PolarHBondContact O-NH2 3.36Å; V189-R193 WeakPolarHBondContact O-CG 3.17Å; V189-R193 PolarHBondContact O-N 2.9Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 3.06Å; R193-L196 PolarHBondContact O-N 3.19Å; R193-E197 PolarHBondContact O-N 2.83Å; R193-E197 VanDerWaalsContact O-N 3.08Å
194	R	96.4	Very high	95.4	Very high	115 Å²	115	57.7 Å²	57.7	43%	0.434	28%	0.275	S	S	.	.	H	α-helix	trans	-62.1	-44.3	176.9	177.8	-179.5	175.6	130.1	-3.5	111.5	E79 E190 W191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.32Å; E79-R194 IonicContact OE1-CZ 2.69Å; E79-R194 IonicContact OE1-NE 3.69Å; E79-R194 PolarHBondContact OE1-NE 3.46Å; E79-R194 IonicContact OE1-NH2 3.03Å; E79-R194 PolarHBondContact OE1-NH2 3.22Å; E79-R194 VanDerWaalsContact OE1-NH2 3.11Å; E79-R194 IonicContact OE2-CZ 2.73Å; E79-R194 IonicContact OE2-NE 3.83Å; E79-R194 IonicContact OE2-NH2 3.68Å; E79-R194 PolarHBondContact OE2-NH2 3.02Å; E190-R194 PolarHBondContact O-N 3.02Å; E190-R194 VanDerWaalsContact O-N 3.12Å; W191-R194 WeakPolarHBondContact O-CB 3.47Å; W191-R194 PolarHBondContact O-N 2.87Å; W191-R194 VanDerWaalsContact O-N 3.12Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.09Å; R194-E197 PolarHBondContact O-N 3.37Å; R194-N198 VanDerWaalsContact O-CB 3.29Å; R194-N198 WeakPolarHBondContact O-CB 3.46Å; R194-N198 PolarHBondContact O-N 2.91Å; R194-N198 PolarHBondContact O-OD1 3.27Å
195	Y	96.9	Very high	95.1	Very high	1 Å²	1	61.4 Å²	61.4	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-66.6	-39	178.9	-61.8	-25.4	0	0	0	112.4	M29 V52 F57 W75 I76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.71Å; M29-Y195 HydrophobicContact SD-CE2 3.53Å; M29-Y195 VanDerWaalsContact SD-CE2 3.53Å; V52-Y195 HydrophobicContact CG2-CD2 3.96Å; V52-Y195 HydrophobicContact CG2-CG 4.49Å; F57-Y195 HydrophobicContact CD2-CE2 4.47Å; F57-Y195 HydrophobicContact CE2-CD2 4.25Å; F57-Y195 AromaticContact CE2-CE2 3.67Å; F57-Y195 HydrophobicContact CE2-CE2 3.67Å; F57-Y195 HydrophobicContact CZ-CD2 4.32Å; F57-Y195 AromaticContact CZ-CE2 3.85Å; F57-Y195 HydrophobicContact CZ-CE2 3.85Å; W75-Y195 HydrophobicContact CH2-CG 4.28Å; W75-Y195 AromaticContact CZ3-CD1 3.88Å; W75-Y195 HydrophobicContact CZ3-CD1 3.88Å; W75-Y195 HydrophobicContact CZ3-CD2 4.39Å; W75-Y195 AromaticContact CZ3-CG 3.73Å; W75-Y195 HydrophobicContact CZ3-CG 3.73Å; I76-Y195 HydrophobicContact CD1-CD1 3.8Å; I76-Y195 HydrophobicContact CD1-CE1 3.34Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.45Å; Y83-Y195 PolarHBondContact OH-OH 3.4Å; W191-Y195 HydrophobicContact CB-CE2 4.02Å; W191-Y195 HydrophobicContact CE3-CD1 4.43Å; W191-Y195 AromaticContact CE3-CE1 3.48Å; W191-Y195 HydrophobicContact CE3-CE1 3.48Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.48Å; W191-Y195 HydrophobicContact CE3-CE2 4.35Å; W191-Y195 AromaticContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.43Å; W191-Y195 AromaticContact CZ3-CE1 3.89Å; W191-Y195 HydrophobicContact CZ3-CE1 3.89Å; W191-Y195 WeakPolarHBondContact O-CD2 3.48Å; W191-Y195 VanDerWaalsContact O-CG 3.26Å; W191-Y195 PolarHBondContact O-N 3.03Å; L192-Y195 PolarHBondContact O-N 3.44Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 3.34Å; Y195-N198 PolarHBondContact O-N 2.88Å; Y195-G199 WeakPolarHBondContact O-CA 3.48Å; Y195-G199 PolarHBondContact O-N 2.83Å; Y195-L203 WeakPolarHBondContact O-CD1 3.38Å
196	L	95.6	Very high	94.9	Very high	13 Å²	13	60.6 Å²	60.6	7%	0.068	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-35.3	174.4	-71.7	168.7	0	0	0	112.6	H27 V52 V127 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.66Å; H27-L196 HydrophobicContact CB-CD2 4.02Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.24Å; V52-L196 HydrophobicContact CG1-CD2 4.1Å; V127-L196 HydrophobicContact CG2-CD1 4.45Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.46Å; L192-L196 HydrophobicContact CD1-CG 3.89Å; L192-L196 HydrophobicContact CG-CD1 4Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 WeakPolarHBondContact O-CB 3.34Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.46Å; L192-L196 PolarHBondContact O-N 2.97Å; R193-L196 PolarHBondContact O-N 3.19Å; L196-K200 WeakPolarHBondContact O-CA 3.35Å; L196-K200 WeakPolarHBondContact O-CB 3.36Å; L196-K200 PolarHBondContact O-N 2.8Å; L196-K200 VanDerWaalsContact O-N 3.11Å; L196-L203 HydrophobicContact CD2-CB 4.11Å; L196-L203 HydrophobicContact CD2-CD1 4.29Å; L196-Q204 PolarHBondContact O-NE2 3.37Å; L196-Q204 VanDerWaalsContact O-NE2 3.09Å
197	E	95.2	Very high	94.8	Very high	123 Å²	123	62 Å²	62	58%	0.575	29%	0.288	S	S	*	.	H	α-helix	trans	-72.5	-48	174.5	-171.5	60.3	-150.7	0	0	111.1	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.83Å; R193-E197 VanDerWaalsContact O-N 3.08Å; R194-E197 PolarHBondContact O-N 3.37Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 3.34Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 3.06Å; E197-K200 WeakPolarHBondContact O-CB 3.42Å; E197-K200 PolarHBondContact O-N 3.02Å
198	N	95.8	Very high	94.8	Very high	54 Å²	54	62.3 Å²	62.3	29%	0.289	29%	0.291	S	S	.	.	H	α-helix	trans	-59.8	-40	178.5	-78.6	0.2	0	0	0	112.8	Q78 E79 R194 Y195	Q78-N198 PolarHBondContact NE2-ND2 2.74Å; E79-N198 PolarHBondContact OE1-ND2 3.04Å; R194-N198 VanDerWaalsContact O-CB 3.29Å; R194-N198 WeakPolarHBondContact O-CB 3.46Å; R194-N198 PolarHBondContact O-N 2.91Å; R194-N198 PolarHBondContact O-OD1 3.27Å; Y195-N198 PolarHBondContact O-N 2.88Å
199	G	94.7	Very high	94.8	Very high	3 Å²	3	62.8 Å²	62.8	3%	0.031	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	18.1	-176.2	0	0	0	0	0	113.8	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.48Å; Y195-G199 PolarHBondContact O-N 2.83Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 3.06Å; G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 2.9Å; G199-E201 VanDerWaalsContact O-N 3.13Å; G199-T202 WeakPolarHBondContact O-CA 3.27Å; G199-T202 PolarHBondContact O-N 3Å; G199-L203 PolarHBondContact O-N 3.04Å
200	K	92.4	Very high	94.7	Very high	109 Å²	109	70 Å²	70	47%	0.474	33%	0.325	S	S	.	.	H	α-helix	trans	-48.4	-44.9	-171.3	-176.8	173.5	-174.4	170.7	0	114.3	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.35Å; L196-K200 WeakPolarHBondContact O-CB 3.36Å; L196-K200 PolarHBondContact O-N 2.8Å; L196-K200 VanDerWaalsContact O-N 3.11Å; E197-K200 WeakPolarHBondContact O-CB 3.42Å; E197-K200 PolarHBondContact O-N 3.02Å; K200-T202 PolarHBondContact O-N 3.49Å; K200-Q204 WeakPolarHBondContact O-CB 3.37Å; K200-Q204 PolarHBondContact O-N 3.25Å; K200-Q204 VanDerWaalsContact O-N 3.15Å
201	E	90.5	Very high	94.7	Very high	182 Å²	182	65.6 Å²	65.6	85%	0.85	31%	0.307	S	S	*	.	H	α-helix	trans	-65.3	-23.4	-180	-63.1	-175.1	167.2	0	0	113.7	G199	G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 2.9Å; G199-E201 VanDerWaalsContact O-N 3.13Å
202	T	90.2	Very high	94.5	Very high	45 Å²	45	66 Å²	66	28%	0.276	31%	0.311	S	S	.	.	H	α-helix	trans	-103.9	-42.6	-178.2	-53.8	0	0	0	0	112.5	G199 K200 R205	G199-T202 WeakPolarHBondContact O-CA 3.27Å; G199-T202 PolarHBondContact O-N 3Å; K200-T202 PolarHBondContact O-N 3.49Å; T202-R205 WeakPolarHBondContact O-CD 3.15Å; T202-R205 VanDerWaalsContact O-CG 3.25Å; T202-R205 WeakPolarHBondContact O-CG 3.27Å; T202-R205 PolarHBondContact O-NE 2.99Å
203	L	91.1	Very high	94.4	Very high	4 Å²	4	67.2 Å²	67.2	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-85.8	-28.8	-172.6	-62.9	172.2	0	0	0	112.8	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.13Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.08Å; T55-L203 HydrophobicContact CG2-CD2 4.15Å; W75-L203 HydrophobicContact CD2-CD1 4.45Å; W75-L203 HydrophobicContact CH2-CD1 4.31Å; W75-L203 HydrophobicContact CZ2-CD1 3.85Å; W75-L203 HydrophobicContact CZ2-CD2 4.07Å; W75-L203 HydrophobicContact CZ2-CG 4.35Å; Y195-L203 WeakPolarHBondContact O-CD1 3.38Å; L196-L203 HydrophobicContact CD2-CB 4.11Å; L196-L203 HydrophobicContact CD2-CD1 4.29Å; G199-L203 PolarHBondContact O-N 3.04Å
204	Q	89.4	Confident	94.2	Very high	89 Å²	89	63.5 Å²	63.5	42%	0.416	31%	0.308	S	S	.	.	S	Bend	trans	-104.2	17.2	177.5	-57.2	177.6	34.4	0	0	111.7	L196 K200	L196-Q204 PolarHBondContact O-NE2 3.37Å; L196-Q204 VanDerWaalsContact O-NE2 3.09Å; K200-Q204 WeakPolarHBondContact O-CB 3.37Å; K200-Q204 PolarHBondContact O-N 3.25Å; K200-Q204 VanDerWaalsContact O-N 3.15Å
205	R	91.4	Very high	94.1	Very high	77 Å²	77	60.8 Å²	60.8	29%	0.291	30%	0.3	S	S	.	.			trans	-80.4	155.3	172.1	82.1	-172.2	171.1	-179.7	4.3	109.6	T202 D207 Y233 G263	T202-R205 WeakPolarHBondContact O-CD 3.15Å; T202-R205 VanDerWaalsContact O-CG 3.25Å; T202-R205 WeakPolarHBondContact O-CG 3.27Å; T202-R205 PolarHBondContact O-NE 2.99Å; R205-D207 IonicContact CZ-OD2 3.38Å; R205-D207 IonicContact NE-OD2 2.71Å; R205-D207 PolarHBondContact NE-OD2 3.47Å; R205-Y233 HydrophobicContact CG-CD1 3.71Å; R205-Y233 HydrophobicContact CG-CE1 4.06Å; R205-Y233 HydrophobicContact CG-CG 4.47Å; R205-Y233 VanDerWaalsContact O-CD1 3.29Å; R205-Y233 WeakPolarHBondContact O-CD1 3.26Å; R205-G263 PolarHBondContact NH2-O 3.12Å
206	T	92.6	Very high	93.9	Very high	55 Å²	55	64.1 Å²	64.1	34%	0.337	32%	0.316	S	S	.	.			trans	-134.6	115	171.2	-31.9	0	0	0	0	108.6	Y233 E288	T206-Y233 WeakPolarHBondContact CA-O 3.43Å; T206-E288 HydrophobicContact CG2-CB 3.98Å; T206-E288 HydrophobicContact CG2-CG 4.09Å
207	D	94.9	Very high	93.7	Very high	53 Å²	53	68.1 Å²	68.1	28%	0.283	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-103.4	114	180	-65.1	-37.8	0	0	0	108.1	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD2 3.38Å; R205-D207 IonicContact NE-OD2 2.71Å; R205-D207 PolarHBondContact NE-OD2 3.47Å; D207-F232 WeakPolarHBondContact O-CA 3.44Å; D207-F232 WeakPolarHBondContact O-CB 3.44Å; D207-Y233 PolarHBondContact N-O 2.79Å; D207-Y233 PolarHBondContact O-N 3.05Å; D207-Y233 VanDerWaalsContact O-N 3.1Å; D207-H287 PolarHBondContact O-CE1 3.2Å; D207-H287 VanDerWaalsContact O-CE1 3.31Å
208	P	96.6	Very high	93.5	Very high	66 Å²	66	66.9 Å²	66.9	43%	0.429	34%	0.339	S	S	.	.			trans	-68.6	146.2	-178.6	25.8	-33	0	0	0	111.7	K210 L290	P208-K210 PolarHBondContact O-N 3.16Å; P208-L290 HydrophobicContact CB-CD2 3.9Å
209	P	97.6	Very high	93.3	Very high	9 Å²	9	66.8 Å²	66.8	6%	0.058	34%	0.342	C	S	.	.			trans	-65.9	133.1	179.2	27.1	-35	0	0	0	112.2	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 4.11Å; P209-T211 HydrophobicContact CG-CG2 4.29Å; P209-T211 PolarHBondContact O-N 3.31Å; P209-A229 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CD1 3.91Å; P209-F232 HydrophobicContact CB-CG 4.15Å; P209-I237 HydrophobicContact CB-CD1 4.04Å; P209-I237 HydrophobicContact CG-CD1 4.07Å; P209-V285 HydrophobicContact CG-CG1 3.98Å; P209-H287 HydrophobicContact CG-CB 4.1Å; P209-L290 HydrophobicContact CG-CD1 3.83Å; P209-L290 HydrophobicContact CG-CD2 4.37Å; P209-L290 HydrophobicContact CG-CG 4.17Å
210	K	97.6	Very high	93	Very high	157 Å²	157	73.7 Å²	73.7	68%	0.683	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	108.3	164.5	-65	174.2	-173.4	167.6	0	108.2	P208 L230	P208-K210 PolarHBondContact O-N 3.16Å; K210-L230 PolarHBondContact N-O 3.28Å; K210-L230 PolarHBondContact O-N 3.37Å
211	T	96.7	Very high	92.9	Very high	37 Å²	37	75.4 Å²	75.4	23%	0.227	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	140.9	-174.4	59.8	0	0	0	0	113	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 4.11Å; P209-T211 HydrophobicContact CG-CG2 4.29Å; P209-T211 PolarHBondContact O-N 3.31Å; T211-W228 WeakPolarHBondContact CA-O 3.32Å; T211-W228 WeakPolarHBondContact CB-O 3.35Å; T211-A229 HydrophobicContact CG2-CB 4.43Å; T211-V285 HydrophobicContact CG2-CG1 4.27Å; T211-V285 HydrophobicContact CG2-CG2 4.11Å; T211-L294 HydrophobicContact CG2-CD1 4.34Å; T211-L296 HydrophobicContact CG2-CD1 4.12Å
212	H	94.2	Very high	93.1	Very high	78 Å²	78	71.1 Å²	71.1	36%	0.361	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	164.9	170.5	67.1	-77	0	0	0	110.5	W228	H212-W228 AromaticContact CD2-CD1 3.93Å; H212-W228 WeakPolarHBondContact CE1-CB 3.37Å; H212-W228 AromaticContact CE1-CD1 3.86Å; H212-W228 AromaticContact CE1-CG 3.53Å; H212-W228 PolarHBondContact N-O 2.91Å; H212-W228 AromaticContact NE2-CD1 3.44Å; H212-W228 AromaticContact NE2-CG 3.59Å; H212-W228 PolarHBondContact O-N 3.49Å
213	M	94.9	Very high	93.3	Very high	27 Å²	27	69 Å²	69	13%	0.133	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	142.9	176.6	-67.7	172.6	93	0	0	110.4	R226 W241 L296 R297 W298	M213-R226 CarbonylContact C-O 3.58Å; M213-R226 VanDerWaalsContact CA-O 3.28Å; M213-R226 WeakPolarHBondContact CA-O 3.29Å; M213-W241 HydrophobicContact CE-CH2 3.15Å; M213-W241 HydrophobicContact CE-CZ2 4.13Å; M213-W241 HydrophobicContact CE-CZ3 3.64Å; M213-L296 HydrophobicContact CG-CB 4.25Å; M213-L296 HydrophobicContact SD-CB 3.7Å; M213-R297 VanDerWaalsContact SD-O 3.32Å; M213-W298 HydrophobicContact CB-CE3 3.99Å; M213-W298 HydrophobicContact CB-CZ3 4.38Å; M213-W298 HydrophobicContact CE-CB 4.33Å; M213-W298 PolarHBondContact SD-N 2.84Å; M213-W298 VanDerWaalsContact SD-N 3.41Å
214	T	93.9	Very high	93.5	Very high	37 Å²	37	69.8 Å²	69.8	23%	0.227	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.2	170.1	57.1	0	0	0	0	110.5	H216 R226 W228	T214-H216 PolarHBondContact OG1-CE1 2.86Å; T214-R226 PolarHBondContact N-O 3.04Å; T214-R226 PolarHBondContact O-N 2.84Å; T214-W228 PolarHBondContact OG1-NE1 2.9Å; T214-W228 VanDerWaalsContact OG1-NE1 3.12Å
215	H	93.3	Very high	93.8	Very high	58 Å²	58	65.6 Å²	65.6	27%	0.269	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.1	-177.9	171.4	-93.2	0	0	0	109.1	A223 T224 L225 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.39Å; H215-T224 WeakPolarHBondContact CA-O 3.48Å; H215-L225 HydrophobicContact CB-CD2 4.05Å; H215-W298 HydrophobicContact CB-CD2 4.17Å; H215-W298 HydrophobicContact CB-CE3 4.11Å; H215-W298 HydrophobicContact CB-CH2 3.34Å; H215-W298 HydrophobicContact CB-CZ2 3.36Å; H215-W298 HydrophobicContact CB-CZ3 3.72Å; H215-W298 AromaticContact CG-CZ2 3.91Å
216	H	92.8	Very high	94.1	Very high	71 Å²	71	64.4 Å²	64.4	33%	0.329	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	105.1	-179	-44.5	84.4	0	0	0	108.6	T214 I218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 2.86Å; H216-I218 PolarHBondContact O-N 2.82Å; H216-A223 CarbonylContact O-C 3.6Å; H216-A223 WeakPolarHBondContact O-CA 3.45Å; H216-T224 PolarHBondContact N-O 2.81Å; H216-T224 PolarHBondContact ND1-O 2.83Å; H216-T224 PolarHBondContact O-N 2.89Å; H216-R226 PolarHBondContact CE1-NH1 3.19Å; H216-R226 PolarHBondContact NE2-NH1 3.45Å
217	P	92.4	Very high	94.3	Very high	97 Å²	97	61.8 Å²	61.8	63%	0.63	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.9	131.4	172.9	-20.3	30.8	0	0	0	110.5
218	I	91.2	Very high	94.4	Very high	97 Å²	97	61.4 Å²	61.4	50%	0.497	31%	0.314	S	S	.	.			trans	-98.5	-46.1	172.5	-57.9	168.6	0	0	0	108.7	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 2.82Å; I218-E222 PolarHBondContact N-O 2.94Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.42Å; I218-V272 HydrophobicContact CD1-CG1 4.04Å; I218-V272 HydrophobicContact CD1-CG2 4.14Å
219	S	91.1	Very high	94.5	Very high	51 Å²	51	58.2 Å²	58.2	36%	0.357	29%	0.294	S	S	.	.	S	Bend	trans	-147.5	-178.1	179	71.7	0	0	0	0	110.5	H221 E222	S219-H221 PolarHBondContact O-N 2.85Å; S219-H221 VanDerWaalsContact O-N 3.17Å; S219-H221 PolarHBondContact OG-N 2.63Å; S219-E222 PolarHBondContact N-O 3.44Å; S219-E222 VanDerWaalsContact N-O 3.07Å; S219-E222 VanDerWaalsContact O-O 3.11Å; S219-E222 PolarHBondContact OG-N 2.71Å
220	D	88.4	Confident	94.5	Very high	149 Å²	149	60.4 Å²	60.4	80%	0.797	30%	0.304	S	S	*	.	S	Bend	trans	-66.6	-9.3	172.9	-65.4	-22.3	0	0	0	113.4
221	H	91.1	Very high	94.5	Very high	145 Å²	145	54.1 Å²	54.1	67%	0.671	28%	0.284	S	S	*	.	S	Bend	trans	-115.7	-15.9	-175.7	-56.3	-43.1	0	0	0	113.4	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.85Å; S219-H221 VanDerWaalsContact O-N 3.17Å; S219-H221 PolarHBondContact OG-N 2.63Å; H221-P274 CarbonylContact O-C 3.5Å; H221-P274 WeakPolarHBondContact O-CA 3.36Å; H221-S275 PolarHBondContact O-N 2.8Å; H221-S275 PolarHBondContact O-OG 2.94Å
222	E	94	Very high	94.5	Very high	91 Å²	91	52.3 Å²	52.3	43%	0.425	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	145.3	-171	-66.8	179.3	175.6	0	0	112.2	I218 S219 V272 V273 S275	I218-E222 PolarHBondContact N-O 2.94Å; S219-E222 PolarHBondContact N-O 3.44Å; S219-E222 VanDerWaalsContact N-O 3.07Å; S219-E222 VanDerWaalsContact O-O 3.11Å; S219-E222 PolarHBondContact OG-N 2.71Å; E222-V272 HydrophobicContact CB-CG1 4.18Å; E222-V272 HydrophobicContact CG-CG1 4.39Å; E222-V273 WeakPolarHBondContact CA-O 3.38Å; E222-S275 PolarHBondContact N-OG 2.89Å
223	A	94.1	Very high	94.5	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	154.2	172.4	0	0	0	0	0	111.1	H215 H216 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.39Å; H216-A223 CarbonylContact O-C 3.6Å; H216-A223 WeakPolarHBondContact O-CA 3.45Å; A223-V273 PolarHBondContact N-O 3.11Å; A223-V273 WeakPolarHBondContact O-CG2 3.45Å; A223-V273 PolarHBondContact O-N 2.7Å
224	T	95.6	Very high	94.4	Very high	21 Å²	21	48.5 Å²	48.5	13%	0.129	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.1	168.6	-53	0	0	0	0	109.8	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.48Å; H216-T224 PolarHBondContact N-O 2.81Å; H216-T224 PolarHBondContact ND1-O 2.83Å; H216-T224 PolarHBondContact O-N 2.89Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.42Å; T224-A270 HydrophobicContact CG2-CB 3.81Å; T224-V271 WeakPolarHBondContact CA-O 3.35Å
225	L	96	Very high	94.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	128.5	162.9	-66.5	179.4	0	0	0	109.3	H215 W241 A270 V271 V273 E278 W298	H215-L225 HydrophobicContact CB-CD2 4.05Å; L225-W241 HydrophobicContact CB-CH2 3.57Å; L225-W241 HydrophobicContact CB-CZ2 3.96Å; L225-W241 HydrophobicContact CB-CZ3 4.46Å; L225-W241 HydrophobicContact CD1-CH2 4.09Å; L225-W241 HydrophobicContact CD1-CZ3 4.31Å; L225-W241 HydrophobicContact CG-CH2 4.49Å; L225-A270 CarbonylContact O-C 3.6Å; L225-A270 WeakPolarHBondContact O-CA 3.43Å; L225-V271 HydrophobicContact CB-CG1 4.31Å; L225-V271 PolarHBondContact N-O 3.44Å; L225-V271 PolarHBondContact O-N 3.27Å; L225-V273 HydrophobicContact CD1-CG1 3.98Å; L225-V273 HydrophobicContact CD1-CG2 3.95Å; L225-V273 HydrophobicContact CG-CG1 4.26Å; L225-V273 HydrophobicContact CG-CG2 3.82Å; L225-E278 HydrophobicContact CD1-CB 4.04Å; L225-E278 HydrophobicContact CD1-CG 4.39Å; L225-E278 HydrophobicContact CD2-CG 4.41Å; L225-W298 HydrophobicContact CD1-CB 4.31Å; L225-W298 HydrophobicContact CD2-CB 4.1Å; L225-W298 HydrophobicContact CD2-CD2 4.03Å; L225-W298 HydrophobicContact CD2-CE3 4.27Å; L225-W298 HydrophobicContact CD2-CG 3.94Å
226	R	96.9	Very high	94.5	Very high	53 Å²	53	51.6 Å²	51.6	20%	0.2	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123.8	176	-174.2	178.7	-65.5	124.4	4.7	110.2	M213 T214 H216 W228 W268 A269 A270	M213-R226 CarbonylContact C-O 3.58Å; M213-R226 VanDerWaalsContact CA-O 3.28Å; M213-R226 WeakPolarHBondContact CA-O 3.29Å; T214-R226 PolarHBondContact N-O 3.04Å; T214-R226 PolarHBondContact O-N 2.84Å; H216-R226 PolarHBondContact CE1-NH1 3.19Å; H216-R226 PolarHBondContact NE2-NH1 3.45Å; R226-W228 HydrophobicContact CG-CZ2 4.39Å; R226-W268 HydrophobicContact CG-CB 4.04Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.84Å; R226-W268 HydrophobicContact CG-CG 4.25Å; R226-A269 WeakPolarHBondContact CA-O 3.44Å; R226-A270 HydrophobicContact CB-CB 4.09Å; R226-A270 HydrophobicContact CG-CB 4.12Å
227	C	97.1	Very high	94.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122.1	175.3	-177.1	0	0	0	0	109.3	W241 W268 A269 C283	C227-W241 HydrophobicContact CB-CZ2 3.73Å; C227-W268 CarbonylContact O-C 3.57Å; C227-W268 WeakPolarHBondContact O-CA 3.15Å; C227-W268 WeakPolarHBondContact O-CB 3.37Å; C227-A269 PolarHBondContact N-O 2.85Å; C227-A269 PolarHBondContact O-N 3.42Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.24Å; C227-C283 WeakPolarHBondContact SG-CB 3.47Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.25Å
228	W	97.8	Very high	94.8	Very high	44 Å²	44	46.8 Å²	46.8	17%	0.167	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	141.9	-179.5	-68.1	87.7	0	0	0	110.8	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.32Å; T211-W228 WeakPolarHBondContact CB-O 3.35Å; H212-W228 AromaticContact CD2-CD1 3.93Å; H212-W228 WeakPolarHBondContact CE1-CB 3.37Å; H212-W228 AromaticContact CE1-CD1 3.86Å; H212-W228 AromaticContact CE1-CG 3.53Å; H212-W228 PolarHBondContact N-O 2.91Å; H212-W228 AromaticContact NE2-CD1 3.44Å; H212-W228 AromaticContact NE2-CG 3.59Å; H212-W228 PolarHBondContact O-N 3.49Å; T214-W228 PolarHBondContact OG1-NE1 2.9Å; T214-W228 VanDerWaalsContact OG1-NE1 3.12Å; R226-W228 HydrophobicContact CG-CZ2 4.39Å; W228-L230 HydrophobicContact CE3-CD2 3.95Å; W228-W268 HydrophobicContact CD2-CB 3.91Å; W228-W268 HydrophobicContact CD2-CG 4.4Å; W228-W268 HydrophobicContact CE3-CB 3.82Å; W228-W268 AromaticContact CE3-CD1 3.81Å; W228-W268 HydrophobicContact CE3-CG 4.1Å; W228-W268 HydrophobicContact CG-CB 4.33Å; W228-W268 AromaticContact CH2-CD1 3.64Å; W228-W268 HydrophobicContact CH2-CG 4.23Å; W228-W268 HydrophobicContact CZ3-CB 4.25Å; W228-W268 AromaticContact CZ3-CD1 3.35Å; W228-W268 HydrophobicContact CZ3-CG 4.02Å
229	A	98.1	Very high	95	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	122.9	163.4	0	0	0	0	0	107.8	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.86Å; T211-A229 HydrophobicContact CG2-CB 4.43Å; A229-F232 HydrophobicContact CB-CD1 4.08Å; A229-F232 HydrophobicContact CB-CE1 3.84Å; A229-F232 WeakPolarHBondContact O-CE1 3.46Å; A229-I237 HydrophobicContact CB-CD1 3.73Å; A229-L239 HydrophobicContact CB-CD1 4.11Å; A229-L239 HydrophobicContact CB-CD2 4.27Å; A229-Q266 CarbonylContact O-C 3.56Å; A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.35Å; A229-K267 PolarHBondContact N-O 3.18Å; A229-K267 PolarHBondContact O-N 3.38Å; A229-K267 VanDerWaalsContact O-O 3.08Å
230	L	97.9	Very high	95.2	Very high	54 Å²	54	41.6 Å²	41.6	28%	0.283	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.5	-175.3	-58.7	179.1	0	0	0	111.3	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 3.28Å; K210-L230 PolarHBondContact O-N 3.37Å; W228-L230 HydrophobicContact CE3-CD2 3.95Å; L230-F232 PolarHBondContact O-N 3.39Å; L230-Q266 HydrophobicContact CD2-CB 3.53Å
231	G	97	Very high	95.6	Very high	25 Å²	25	34.7 Å²	34.7	26%	0.258	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	67.9	32.8	167.6	0	0	0	0	0	113.9	F265	G231-F265 PolarHBondContact N-O 2.93Å
232	F	96.6	Very high	95.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	157	179.8	59.3	-90.3	0	0	0	112.4	D207 P209 A229 L230 P234 I237 T257 F265 K267 H287	D207-F232 WeakPolarHBondContact O-CA 3.44Å; D207-F232 WeakPolarHBondContact O-CB 3.44Å; P209-F232 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CD1 3.91Å; P209-F232 HydrophobicContact CB-CG 4.15Å; A229-F232 HydrophobicContact CB-CD1 4.08Å; A229-F232 HydrophobicContact CB-CE1 3.84Å; A229-F232 WeakPolarHBondContact O-CE1 3.46Å; L230-F232 PolarHBondContact O-N 3.39Å; F232-P234 WeakPolarHBondContact CD2-O 3.35Å; F232-I237 HydrophobicContact CD1-CD1 3.91Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 4Å; F232-I237 HydrophobicContact CE1-CD1 3.81Å; F232-I237 HydrophobicContact CE1-CG2 4.4Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.94Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 4.01Å; F232-I237 HydrophobicContact CZ-CB 4.11Å; F232-I237 HydrophobicContact CZ-CD1 3.87Å; F232-I237 HydrophobicContact CZ-CG2 3.5Å; F232-T257 HydrophobicContact CE2-CG2 4.07Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; F232-F265 WeakPolarHBondContact CD1-O 3.49Å; F232-F265 HydrophobicContact CD2-CB 3.95Å; F232-F265 HydrophobicContact CE1-CB 4.29Å; F232-F265 WeakPolarHBondContact CE1-O 3.28Å; F232-F265 HydrophobicContact CE2-CB 3.48Å; F232-F265 VanDerWaalsContact CE2-CB 3.48Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 3Å; F232-F265 PolarHBondContact O-N 2.87Å; F232-K267 HydrophobicContact CE1-CB 4.35Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.69Å
233	Y	94.4	Very high	95.9	Very high	3 Å²	3	29.2 Å²	29.2	1%	0.012	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-151.9	135.5	173.7	179.5	-84.3	0	0	0	109.1	T55 R205 T206 D207 G263 F265 H287	T55-Y233 PolarHBondContact OG1-OH 2.89Å; T55-Y233 VanDerWaalsContact OG1-OH 3.09Å; R205-Y233 HydrophobicContact CG-CD1 3.71Å; R205-Y233 HydrophobicContact CG-CE1 4.06Å; R205-Y233 HydrophobicContact CG-CG 4.47Å; R205-Y233 VanDerWaalsContact O-CD1 3.29Å; R205-Y233 WeakPolarHBondContact O-CD1 3.26Å; T206-Y233 WeakPolarHBondContact CA-O 3.43Å; D207-Y233 PolarHBondContact N-O 2.79Å; D207-Y233 PolarHBondContact O-N 3.05Å; D207-Y233 VanDerWaalsContact O-N 3.1Å; Y233-G263 WeakPolarHBondContact CD2-O 3.24Å; Y233-F265 HydrophobicContact CD2-CD2 4.42Å; Y233-F265 AromaticContact CD2-CE2 3.96Å; Y233-F265 HydrophobicContact CD2-CE2 3.96Å; Y233-F265 HydrophobicContact CE2-CE2 4.42Å; Y233-H287 PolarHBondContact O-CE1 3.31Å
234	P	93.5	Very high	95.8	Very high	21 Å²	21	34 Å²	34	14%	0.136	18%	0.175	C	C	.	.	S	Bend	cis	-74.2	179.3	4.5	31.8	-37.4	0	0	0	113.3	F232 E236 H287	F232-P234 WeakPolarHBondContact CD2-O 3.35Å; P234-E236 VanDerWaalsContact C-N 3.3Å; P234-E236 PolarHBondContact O-N 3.42Å; P234-H287 PolarHBondContact O-NE2 3.2Å
235	A	94.6	Very high	95.4	Very high	13 Å²	13	35.5 Å²	35.5	11%	0.107	19%	0.194	C	C	.	.	S	Bend	trans	-69.6	-25.2	-176	0	0	0	0	0	113.7	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.19Å; D54-A235 VanDerWaalsContact CG-CB 3.44Å; D54-A235 VanDerWaalsContact OD2-CB 3.27Å; D54-A235 WeakPolarHBondContact OD2-CB 3.41Å; D54-A235 PolarHBondContact OD2-N 3.19Å; A235-I237 PolarHBondContact O-N 3.47Å; A235-I237 VanDerWaalsContact O-N 3.15Å; A235-T257 HydrophobicContact CB-CG2 4.23Å; A235-T257 WeakPolarHBondContact O-CG2 3.37Å; A235-F265 HydrophobicContact CB-CD1 3.71Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.72Å; A235-F265 HydrophobicContact CB-CE2 3.71Å; A235-F265 HydrophobicContact CB-CG 3.72Å; A235-F265 HydrophobicContact CB-CZ 3.75Å
236	E	94.3	Very high	95.3	Very high	147 Å²	147	41.8 Å²	41.8	69%	0.687	22%	0.224	S	C	*	.			trans	-64.3	114.4	179.2	-172.1	58.9	-146.5	0	0	110.3	P234 H287	P234-E236 VanDerWaalsContact C-N 3.3Å; P234-E236 PolarHBondContact O-N 3.42Å; E236-H287 PolarHBondContact O-CD2 2.95Å
237	I	95.2	Very high	95	Very high	10 Å²	10	43.9 Å²	43.9	5%	0.051	24%	0.239	C	C	.	.			trans	-150.6	141.3	-179.2	-164.6	170.8	0	0	0	109.4	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.04Å; P209-I237 HydrophobicContact CG-CD1 4.07Å; A229-I237 HydrophobicContact CB-CD1 3.73Å; F232-I237 HydrophobicContact CD1-CD1 3.91Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 4Å; F232-I237 HydrophobicContact CE1-CD1 3.81Å; F232-I237 HydrophobicContact CE1-CG2 4.4Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.94Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 4.01Å; F232-I237 HydrophobicContact CZ-CB 4.11Å; F232-I237 HydrophobicContact CZ-CD1 3.87Å; F232-I237 HydrophobicContact CZ-CG2 3.5Å; A235-I237 PolarHBondContact O-N 3.47Å; A235-I237 VanDerWaalsContact O-N 3.15Å; I237-L239 HydrophobicContact CD1-CD1 3.71Å; I237-L239 HydrophobicContact CG1-CD1 3.67Å; I237-L239 HydrophobicContact CG2-CD1 4.14Å; I237-K267 HydrophobicContact CG2-CB 4.2Å; I237-K267 HydrophobicContact CG2-CD 3.54Å; I237-V285 HydrophobicContact CD1-CG1 3.95Å; I237-V285 HydrophobicContact CG1-CG1 4.31Å; I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.48Å; I237-H287 HydrophobicContact CD1-CB 4.24Å; I237-H287 HydrophobicContact CG1-CB 4.03Å
238	T	95.9	Very high	94.8	Very high	57 Å²	57	44.6 Å²	44.6	35%	0.35	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	121.9	174.9	-62	0	0	0	0	110.3	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4Å; T238-V285 WeakPolarHBondContact O-CA 3.13Å; T238-Q286 PolarHBondContact N-O 3.5Å; T238-Q286 PolarHBondContact O-N 3.21Å
239	L	96.4	Very high	94.1	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.6	172.2	-87.6	61.6	0	0	0	108.4	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.11Å; A229-L239 HydrophobicContact CB-CD2 4.27Å; I237-L239 HydrophobicContact CD1-CD1 3.71Å; I237-L239 HydrophobicContact CG1-CD1 3.67Å; I237-L239 HydrophobicContact CG2-CD1 4.14Å; L239-L254 HydrophobicContact CB-CD1 4.08Å; L239-K267 HydrophobicContact CD1-CD 4.26Å; L239-K267 HydrophobicContact CD2-CB 4.35Å; L239-K267 HydrophobicContact CD2-CG 4.36Å; L239-A269 HydrophobicContact CB-CB 4.07Å; L239-A269 HydrophobicContact CD2-CB 4.27Å; L239-H284 WeakPolarHBondContact CA-O 3.49Å; L239-V285 HydrophobicContact CD1-CG1 4.03Å; L239-V285 HydrophobicContact CD1-CG2 4.48Å; L239-V285 HydrophobicContact CG-CG2 4.3Å
240	T	95.3	Very high	93.3	Very high	34 Å²	34	56.2 Å²	56.2	21%	0.209	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	145.5	179.5	46.7	0	0	0	0	110.9	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4Å; T240-C283 CarbonylContact O-C 3.59Å; T240-C283 WeakPolarHBondContact O-CA 3.32Å; T240-H284 PolarHBondContact N-O 2.98Å; T240-H284 PolarHBondContact O-N 2.85Å; T240-H284 WeakPolarHBondContact OG1-CB 3.44Å
241	W	95.9	Very high	92.5	Very high	4 Å²	4	59 Å²	59	2%	0.015	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	136.9	172.4	-82	103.8	0	0	0	110.3	M213 L225 C227 Q248 A269 V271 T282 C283	M213-W241 HydrophobicContact CE-CH2 3.15Å; M213-W241 HydrophobicContact CE-CZ2 4.13Å; M213-W241 HydrophobicContact CE-CZ3 3.64Å; L225-W241 HydrophobicContact CB-CH2 3.57Å; L225-W241 HydrophobicContact CB-CZ2 3.96Å; L225-W241 HydrophobicContact CB-CZ3 4.46Å; L225-W241 HydrophobicContact CD1-CH2 4.09Å; L225-W241 HydrophobicContact CD1-CZ3 4.31Å; L225-W241 HydrophobicContact CG-CH2 4.49Å; C227-W241 HydrophobicContact CB-CZ2 3.73Å; W241-Q248 HydrophobicContact CB-CB 4.22Å; W241-Q248 PolarHBondContact O-N 3.08Å; W241-A269 VanDerWaalsContact NE1-C 3.31Å; W241-A269 PolarHBondContact NE1-O 2.89Å; W241-V271 HydrophobicContact CD2-CB 4.35Å; W241-V271 HydrophobicContact CD2-CG1 3.56Å; W241-V271 HydrophobicContact CE3-CG1 3.81Å; W241-V271 HydrophobicContact CG-CB 4.24Å; W241-V271 HydrophobicContact CG-CG1 3.95Å; W241-V271 HydrophobicContact CH2-CG1 4.09Å; W241-V271 HydrophobicContact CZ2-CG1 3.93Å; W241-V271 HydrophobicContact CZ3-CG1 4.07Å; W241-T282 WeakPolarHBondContact CA-O 3.06Å; W241-T282 VanDerWaalsContact CE3-C 3.5Å; W241-C283 HydrophobicContact CD2-CB 4.21Å; W241-C283 HydrophobicContact CE3-CB 4.15Å; W241-C283 HydrophobicContact CH2-CB 4.23Å; W241-C283 HydrophobicContact CZ2-CB 4.22Å; W241-C283 HydrophobicContact CZ3-CB 4.15Å
242	Q	95.4	Very high	92.2	Very high	42 Å²	42	59 Å²	59	20%	0.196	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145.1	172.7	-68.6	-173.8	-8.7	0	0	110.1	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.42Å; Q242-D247 VanDerWaalsContact CG-OD1 3.26Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.32Å; Q242-D247 PolarHBondContact NE2-OD1 2.85Å; Q242-Y281 CarbonylContact O-C 3.54Å; Q242-Y281 VanDerWaalsContact O-CA 3.28Å; Q242-Y281 WeakPolarHBondContact O-CA 3.31Å; Q242-T282 PolarHBondContact N-O 2.75Å; Q242-T282 PolarHBondContact O-N 2.86Å; Q242-H284 PolarHBondContact OE1-CE1 3.03Å; Q242-H284 PolarHBondContact OE1-NE2 2.88Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.15Å
243	R	94.9	Very high	92.1	Very high	78 Å²	78	64.4 Å²	64.4	29%	0.294	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	117.2	168.4	-177.5	-179	68.2	-162.6	-4	108.5	G245 E246 Q248 R280 Y281	R243-G245 PolarHBondContact O-N 3.04Å; R243-E246 PolarHBondContact N-O 2.82Å; R243-E246 PolarHBondContact O-N 2.85Å; R243-Q248 HydrophobicContact CB-CG 3.94Å; R243-R280 WeakPolarHBondContact CA-O 3.31Å; R243-R280 HydrophobicContact CG-CB 4.28Å; R243-Y281 HydrophobicContact CB-CD1 4.08Å; R243-Y281 HydrophobicContact CB-CE1 3.92Å; R243-Y281 WeakPolarHBondContact CD-OH 3.23Å; R243-Y281 HydrophobicContact CG-CD1 4.44Å; R243-Y281 HydrophobicContact CG-CE1 4.11Å; R243-Y281 HydrophobicContact CG-CE2 4.22Å
244	D	92.3	Very high	92.1	Very high	103 Å²	103	68.4 Å²	68.4	55%	0.551	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	29	-175.5	-56.7	-43.5	0	0	0	114.2	R280	D244-R280 PolarHBondContact N-O 2.99Å; D244-R280 IonicContact OD1-NE 2.85Å; D244-R280 IonicContact OD2-CZ 3.13Å; D244-R280 IonicContact OD2-NE 3.68Å; D244-R280 PolarHBondContact OD2-NE 2.86Å; D244-R280 IonicContact OD2-NH2 2.65Å; D244-R280 PolarHBondContact OD2-NH2 2.78Å
245	G	88.5	Confident	92.2	Very high	52 Å²	52	69.1 Å²	69.1	54%	0.536	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	-0.6	-177.7	0	0	0	0	0	115.7	R243	R243-G245 PolarHBondContact O-N 3.04Å
246	E	92.4	Very high	92.2	Very high	132 Å²	132	76.6 Å²	76.6	62%	0.617	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	127.9	174.7	-63.8	-175.1	166.6	0	0	111.7	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.42Å; R243-E246 PolarHBondContact N-O 2.82Å; R243-E246 PolarHBondContact O-N 2.85Å; E246-Q248 PolarHBondContact O-NE2 2.93Å
247	D	92.3	Very high	92.3	Very high	97 Å²	97	71.6 Å²	71.6	52%	0.519	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	135.5	-179.7	-67.2	-25.7	0	0	0	112.5	Q242 T249	Q242-D247 VanDerWaalsContact CG-OD1 3.26Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.32Å; Q242-D247 PolarHBondContact NE2-OD1 2.85Å; D247-T249 HydrophobicContact CB-CG2 4.49Å
248	Q	91.8	Very high	92.3	Very high	14 Å²	14	75.8 Å²	75.8	7%	0.065	39%	0.393	C	S	.	.			trans	-108.7	40.8	-177.8	-57.9	-59.1	-67.5	0	0	112.2	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.22Å; W241-Q248 PolarHBondContact O-N 3.08Å; R243-Q248 HydrophobicContact CB-CG 3.94Å; E246-Q248 PolarHBondContact O-NE2 2.93Å; Q248-Q250 VanDerWaalsContact C-N 3.35Å; Q248-Q250 PolarHBondContact O-N 3.05Å; Q248-D251 PolarHBondContact O-N 3.11Å; Q248-T252 WeakPolarHBondContact O-CB 3.29Å; Q248-T252 PolarHBondContact O-N 3.17Å; Q248-T252 PolarHBondContact O-OG1 2.95Å; Q248-Y281 HydrophobicContact CG-CE1 4.41Å
249	T	82.5	Confident	92.3	Very high	104 Å²	104	77.5 Å²	77.5	64%	0.638	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-33.6	-170.2	46.5	0	0	0	0	114.8	D247	D247-T249 HydrophobicContact CB-CG2 4.49Å
250	Q	81.2	Confident	92.3	Very high	185 Å²	185	79.7 Å²	79.7	86%	0.864	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-32	-179.7	-67.7	-175.1	5.9	0	0	113.3	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.35Å; Q248-Q250 PolarHBondContact O-N 3.05Å; Q250-T252 VanDerWaalsContact C-N 3.33Å
251	D	82.2	Confident	92.1	Very high	112 Å²	112	81.8 Å²	81.8	60%	0.599	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	3.3	-177.6	-58.2	-44.2	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 3.11Å
252	T	90.4	Very high	91.9	Very high	24 Å²	24	87 Å²	87	15%	0.147	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	121.8	179.8	-65.7	0	0	0	0	110.9	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.29Å; Q248-T252 PolarHBondContact O-N 3.17Å; Q248-T252 PolarHBondContact O-OG1 2.95Å; Q250-T252 VanDerWaalsContact C-N 3.33Å; T252-L254 HydrophobicContact CG2-CB 4.29Å; T252-L254 PolarHBondContact O-N 3.2Å; T252-A269 HydrophobicContact CG2-CB 4Å; T252-A270 CarbonylContact C-O 3.57Å; T252-A270 VanDerWaalsContact CA-O 3.3Å; T252-A270 WeakPolarHBondContact CA-O 3.43Å
253	E	94.5	Very high	91.6	Very high	114 Å²	114	87 Å²	87	53%	0.533	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	103.7	162.8	-173.6	-174.4	-170.9	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.25Å; E253-W268 HydrophobicContact CG-CH2 3.89Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.3Å; E253-A269 CarbonylContact O-C 3.58Å; E253-A269 WeakPolarHBondContact O-CA 3.18Å; E253-A270 HydrophobicContact CB-CB 4.38Å; E253-A270 PolarHBondContact N-O 3.48Å; E253-A270 PolarHBondContact O-N 2.78Å
254	L	94.6	Very high	91.6	Very high	87 Å²	87	84 Å²	84	46%	0.455	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.4	177.5	-175.3	67.9	0	0	0	109.9	L239 T252 A269	L239-L254 HydrophobicContact CB-CD1 4.08Å; T252-L254 HydrophobicContact CG2-CB 4.29Å; T252-L254 PolarHBondContact O-N 3.2Å; L254-A269 HydrophobicContact CD1-CB 3.63Å
255	V	95.1	Very high	91.9	Very high	36 Å²	36	80.2 Å²	80.2	22%	0.218	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-84.8	152.4	173.7	-64	0	0	0	0	112.1	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.46Å; V255-K267 VanDerWaalsContact O-CE 3.29Å; V255-K267 WeakPolarHBondContact O-CE 3.39Å; V255-K267 WeakPolarHBondContact O-CG 3.44Å; V255-K267 PolarHBondContact O-NZ 3.43Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.99Å; V255-W268 HydrophobicContact CG1-CE3 4.31Å; V255-W268 HydrophobicContact CG1-CH2 3.58Å; V255-W268 HydrophobicContact CG1-CZ2 3.19Å; V255-W268 HydrophobicContact CG1-CZ3 4.11Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.48Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.09Å; V255-W268 PolarHBondContact N-O 3.25Å
256	E	94.5	Very high	92.3	Very high	170 Å²	170	79.8 Å²	79.8	79%	0.794	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-58.3	151.5	167.4	-67.3	-174.8	165.4	0	0	111.3	R258	E256-R258 PolarHBondContact O-N 2.9Å
257	T	96.5	Very high	92.6	Very high	43 Å²	43	74.6 Å²	74.6	26%	0.264	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-69.3	129.1	175.5	-56.7	0	0	0	0	108.6	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.07Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; A235-T257 HydrophobicContact CB-CG2 4.23Å; A235-T257 WeakPolarHBondContact O-CG2 3.37Å; T257-F265 HydrophobicContact CG2-CB 3.74Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.09Å; T257-K267 WeakPolarHBondContact OG1-CD 3.14Å; T257-K267 PolarHBondContact OG1-NZ 2.86Å
258	R	95.9	Very high	92.8	Very high	97 Å²	97	71.1 Å²	71.1	37%	0.366	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.5	-175.1	69	-167.2	-179.7	176.7	6.5	111.3	E256 F265 Q266	E256-R258 PolarHBondContact O-N 2.9Å; R258-F265 WeakPolarHBondContact O-CA 3.39Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 3.27Å; R258-Q266 WeakPolarHBondContact O-CG 3.44Å; R258-Q266 PolarHBondContact O-N 2.63Å
259	P	95.9	Very high	93.1	Very high	94 Å²	94	70.4 Å²	70.4	61%	0.61	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	144.4	177	28.2	-34.1	0	0	0	110.9	F265	P259-F265 HydrophobicContact CB-CD1 4.49Å; P259-F265 HydrophobicContact CB-CE1 4.25Å
260	A	95.1	Very high	93.7	Very high	51 Å²	51	65.6 Å²	65.6	42%	0.421	37%	0.367	S	S	.	.			trans	-88.3	-17.1	173.5	0	0	0	0	0	113	T264	A260-T264 WeakPolarHBondContact CB-O 3.34Å; A260-T264 PolarHBondContact N-O 3.28Å
261	G	91.6	Very high	94.5	Very high	79 Å²	79	56.9 Å²	56.9	81%	0.814	33%	0.327	S	S	*	.	S	Bend	trans	96.4	-8.3	179	0	0	0	0	0	114.9
262	D	91.3	Very high	95.1	Very high	114 Å²	114	55 Å²	55	61%	0.61	32%	0.319	S	S	*	.	S	Bend	trans	-104.3	12.9	176	62.1	-1	0	0	0	113.1	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.39Å; D262-T264 PolarHBondContact OD1-N 3.15Å; D262-T264 PolarHBondContact OD1-OG1 3.33Å
263	G	89.6	Confident	95.3	Very high	40 Å²	40	53.9 Å²	53.9	41%	0.412	31%	0.312	S	S	.	.	S	Bend	trans	85.2	5.3	-173.9	0	0	0	0	0	114.5	R205 Y233	R205-G263 PolarHBondContact NH2-O 3.12Å; Y233-G263 WeakPolarHBondContact CD2-O 3.24Å
264	T	95.6	Very high	95.3	Very high	16 Å²	16	50.7 Å²	50.7	10%	0.098	30%	0.302	C	S	.	.			trans	-108.4	172.3	171.3	73.3	0	0	0	0	112.1	A260 D262	A260-T264 WeakPolarHBondContact CB-O 3.34Å; A260-T264 PolarHBondContact N-O 3.28Å; D262-T264 WeakPolarHBondContact OD1-CB 3.39Å; D262-T264 PolarHBondContact OD1-N 3.15Å; D262-T264 PolarHBondContact OD1-OG1 3.33Å
265	F	97.3	Very high	95.1	Very high	23 Å²	23	49.2 Å²	49.2	10%	0.101	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	162.7	-177.2	-63.2	-85	0	0	0	112.4	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.79Å; D54-F265 HydrophobicContact CB-CZ 3.54Å; G231-F265 PolarHBondContact N-O 2.93Å; F232-F265 WeakPolarHBondContact CD1-O 3.49Å; F232-F265 HydrophobicContact CD2-CB 3.95Å; F232-F265 HydrophobicContact CE1-CB 4.29Å; F232-F265 WeakPolarHBondContact CE1-O 3.28Å; F232-F265 HydrophobicContact CE2-CB 3.48Å; F232-F265 VanDerWaalsContact CE2-CB 3.48Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 3Å; F232-F265 PolarHBondContact O-N 2.87Å; Y233-F265 HydrophobicContact CD2-CD2 4.42Å; Y233-F265 AromaticContact CD2-CE2 3.96Å; Y233-F265 HydrophobicContact CD2-CE2 3.96Å; Y233-F265 HydrophobicContact CE2-CE2 4.42Å; A235-F265 HydrophobicContact CB-CD1 3.71Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.72Å; A235-F265 HydrophobicContact CB-CE2 3.71Å; A235-F265 HydrophobicContact CB-CG 3.72Å; A235-F265 HydrophobicContact CB-CZ 3.75Å; T257-F265 HydrophobicContact CG2-CB 3.74Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.09Å; R258-F265 WeakPolarHBondContact O-CA 3.39Å; P259-F265 HydrophobicContact CB-CD1 4.49Å; P259-F265 HydrophobicContact CB-CE1 4.25Å
266	Q	97.7	Very high	94.7	Very high	44 Å²	44	50.6 Å²	50.6	21%	0.206	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	146.4	174.3	40.6	166.3	-15.2	0	0	109.9	A229 L230 R258	A229-Q266 CarbonylContact O-C 3.56Å; A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.35Å; L230-Q266 HydrophobicContact CD2-CB 3.53Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 3.27Å; R258-Q266 WeakPolarHBondContact O-CG 3.44Å; R258-Q266 PolarHBondContact O-N 2.63Å
267	K	98.2	Very high	94.6	Very high	22 Å²	22	45.4 Å²	45.4	10%	0.096	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	153	177.1	-162.6	-177	-171.9	70.4	0	108.9	A229 F232 I237 L239 V255 T257	A229-K267 PolarHBondContact N-O 3.18Å; A229-K267 PolarHBondContact O-N 3.38Å; A229-K267 VanDerWaalsContact O-O 3.08Å; F232-K267 HydrophobicContact CE1-CB 4.35Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; I237-K267 HydrophobicContact CG2-CB 4.2Å; I237-K267 HydrophobicContact CG2-CD 3.54Å; L239-K267 HydrophobicContact CD1-CD 4.26Å; L239-K267 HydrophobicContact CD2-CB 4.35Å; L239-K267 HydrophobicContact CD2-CG 4.36Å; V255-K267 HydrophobicContact CG2-CG 4.46Å; V255-K267 VanDerWaalsContact O-CE 3.29Å; V255-K267 WeakPolarHBondContact O-CE 3.39Å; V255-K267 WeakPolarHBondContact O-CG 3.44Å; V255-K267 PolarHBondContact O-NZ 3.43Å; T257-K267 WeakPolarHBondContact OG1-CD 3.14Å; T257-K267 PolarHBondContact OG1-NZ 2.86Å
268	W	97.5	Very high	94.4	Very high	24 Å²	24	44.4 Å²	44.4	9%	0.091	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	157.4	169.5	59.7	-98.1	0	0	0	111.3	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.04Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.84Å; R226-W268 HydrophobicContact CG-CG 4.25Å; C227-W268 CarbonylContact O-C 3.57Å; C227-W268 WeakPolarHBondContact O-CA 3.15Å; C227-W268 WeakPolarHBondContact O-CB 3.37Å; W228-W268 HydrophobicContact CD2-CB 3.91Å; W228-W268 HydrophobicContact CD2-CG 4.4Å; W228-W268 HydrophobicContact CE3-CB 3.82Å; W228-W268 AromaticContact CE3-CD1 3.81Å; W228-W268 HydrophobicContact CE3-CG 4.1Å; W228-W268 HydrophobicContact CG-CB 4.33Å; W228-W268 AromaticContact CH2-CD1 3.64Å; W228-W268 HydrophobicContact CH2-CG 4.23Å; W228-W268 HydrophobicContact CZ3-CB 4.25Å; W228-W268 AromaticContact CZ3-CD1 3.35Å; W228-W268 HydrophobicContact CZ3-CG 4.02Å; E253-W268 HydrophobicContact CB-CZ3 4.25Å; E253-W268 HydrophobicContact CG-CH2 3.89Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.3Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.99Å; V255-W268 HydrophobicContact CG1-CE3 4.31Å; V255-W268 HydrophobicContact CG1-CH2 3.58Å; V255-W268 HydrophobicContact CG1-CZ2 3.19Å; V255-W268 HydrophobicContact CG1-CZ3 4.11Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.48Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.09Å; V255-W268 PolarHBondContact N-O 3.25Å; W268-A270 HydrophobicContact CE3-CB 3.98Å; W268-A270 HydrophobicContact CZ3-CB 3.66Å
269	A	97.3	Very high	94.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.9	174	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.44Å; C227-A269 PolarHBondContact N-O 2.85Å; C227-A269 PolarHBondContact O-N 3.42Å; L239-A269 HydrophobicContact CB-CB 4.07Å; L239-A269 HydrophobicContact CD2-CB 4.27Å; W241-A269 VanDerWaalsContact NE1-C 3.31Å; W241-A269 PolarHBondContact NE1-O 2.89Å; T252-A269 HydrophobicContact CG2-CB 4Å; E253-A269 CarbonylContact O-C 3.58Å; E253-A269 WeakPolarHBondContact O-CA 3.18Å; L254-A269 HydrophobicContact CD1-CB 3.63Å
270	A	96.6	Very high	94.1	Very high	2 Å²	2	44.5 Å²	44.5	2%	0.017	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	147.8	179.5	0	0	0	0	0	112	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.81Å; L225-A270 CarbonylContact O-C 3.6Å; L225-A270 WeakPolarHBondContact O-CA 3.43Å; R226-A270 HydrophobicContact CB-CB 4.09Å; R226-A270 HydrophobicContact CG-CB 4.12Å; T252-A270 CarbonylContact C-O 3.57Å; T252-A270 VanDerWaalsContact CA-O 3.3Å; T252-A270 WeakPolarHBondContact CA-O 3.43Å; E253-A270 HydrophobicContact CB-CB 4.38Å; E253-A270 PolarHBondContact N-O 3.48Å; E253-A270 PolarHBondContact O-N 2.78Å; W268-A270 HydrophobicContact CE3-CB 3.98Å; W268-A270 HydrophobicContact CZ3-CB 3.66Å
271	V	96.6	Very high	94	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.018	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	142.3	176.3	60.7	0	0	0	0	108.9	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.35Å; L225-V271 HydrophobicContact CB-CG1 4.31Å; L225-V271 PolarHBondContact N-O 3.44Å; L225-V271 PolarHBondContact O-N 3.27Å; W241-V271 HydrophobicContact CD2-CB 4.35Å; W241-V271 HydrophobicContact CD2-CG1 3.56Å; W241-V271 HydrophobicContact CE3-CG1 3.81Å; W241-V271 HydrophobicContact CG-CB 4.24Å; W241-V271 HydrophobicContact CG-CG1 3.95Å; W241-V271 HydrophobicContact CH2-CG1 4.09Å; W241-V271 HydrophobicContact CZ2-CG1 3.93Å; W241-V271 HydrophobicContact CZ3-CG1 4.07Å; V271-V273 HydrophobicContact CG1-CG1 3.78Å; V271-V273 HydrophobicContact CG2-CG1 4.35Å; V271-Y281 HydrophobicContact CG1-CD1 4.09Å; V271-Y281 HydrophobicContact CG2-CD1 4.28Å; V271-Y281 HydrophobicContact CG2-CE1 4.04Å
272	V	95.9	Very high	94.3	Very high	72 Å²	72	39.1 Å²	39.1	44%	0.436	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.4	171.1	179.9	0	0	0	0	108.1	I218 E222	I218-V272 HydrophobicContact CD1-CG1 4.04Å; I218-V272 HydrophobicContact CD1-CG2 4.14Å; E222-V272 HydrophobicContact CB-CG1 4.18Å; E222-V272 HydrophobicContact CG-CG1 4.39Å
273	V	94.8	Very high	94.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	143	-176.4	-53.7	0	0	0	0	110.6	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.38Å; A223-V273 PolarHBondContact N-O 3.11Å; A223-V273 WeakPolarHBondContact O-CG2 3.45Å; A223-V273 PolarHBondContact O-N 2.7Å; L225-V273 HydrophobicContact CD1-CG1 3.98Å; L225-V273 HydrophobicContact CD1-CG2 3.95Å; L225-V273 HydrophobicContact CG-CG1 4.26Å; L225-V273 HydrophobicContact CG-CG2 3.82Å; V271-V273 HydrophobicContact CG1-CG1 3.78Å; V271-V273 HydrophobicContact CG2-CG1 4.35Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; V273-Y281 HydrophobicContact CB-CD2 3.96Å; V273-Y281 HydrophobicContact CB-CE2 3.69Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.52Å; V273-Y281 HydrophobicContact CG1-CE1 3.72Å; V273-Y281 HydrophobicContact CG1-CE2 3.54Å; V273-Y281 HydrophobicContact CG1-CG 3.62Å
274	P	94.4	Very high	94.8	Very high	48 Å²	48	33.3 Å²	33.3	31%	0.312	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	141.4	169.8	-20.4	32.4	0	0	0	111.2	H221 G276 E277	H221-P274 CarbonylContact O-C 3.5Å; H221-P274 WeakPolarHBondContact O-CA 3.36Å; P274-G276 PolarHBondContact O-N 3.15Å; P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact O-CB 3.47Å; P274-E277 PolarHBondContact O-N 3.14Å
275	S	89.5	Confident	94.9	Very high	55 Å²	55	32.5 Å²	32.5	39%	0.385	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	128.3	176.4	-63.4	0	0	0	0	111.1	H221 E222 E278	H221-S275 PolarHBondContact O-N 2.8Å; H221-S275 PolarHBondContact O-OG 2.94Å; E222-S275 PolarHBondContact N-OG 2.89Å; S275-E278 WeakPolarHBondContact CA-OE1 3.48Å
276	G	87.8	Confident	94.8	Very high	65 Å²	65	34.6 Å²	34.6	67%	0.67	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.1	-8.2	-176.6	0	0	0	0	0	114.7	P274 E278	P274-G276 PolarHBondContact O-N 3.15Å; G276-E278 WeakPolarHBondContact CA-OE2 3.34Å; G276-E278 VanDerWaalsContact N-CD 3.31Å; G276-E278 PolarHBondContact N-OE1 3.01Å; G276-E278 PolarHBondContact N-OE2 3.24Å
277	E	92.2	Very high	94.7	Very high	61 Å²	61	32.7 Å²	32.7	29%	0.285	18%	0.18	S	C	.	.			trans	-99.2	3.5	175.9	-64.9	-162.7	-165.3	0	0	113.5	P274 Q279 R280 Y281	P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact O-CB 3.47Å; P274-E277 PolarHBondContact O-N 3.14Å; E277-Q279 PolarHBondContact O-N 3.24Å; E277-R280 VanDerWaalsContact CD-NH1 3.29Å; E277-R280 VanDerWaalsContact O-CB 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.48Å; E277-R280 PolarHBondContact O-N 3.25Å; E277-R280 IonicContact OE1-NH1 2.74Å; E277-R280 IonicContact OE2-CZ 3.63Å; E277-R280 IonicContact OE2-NH1 2.79Å; E277-R280 PolarHBondContact OE2-NH1 3.19Å; E277-Y281 HydrophobicContact CB-CE2 4.25Å; E277-Y281 VanDerWaalsContact O-CD2 3.32Å; E277-Y281 WeakPolarHBondContact O-CD2 3.44Å
278	E	91.6	Very high	94.3	Very high	23 Å²	23	35.5 Å²	35.5	11%	0.107	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-56.3	-33.1	-172	-58.3	81.1	-179.6	0	0	112.7	L225 V273 S275 G276 R280 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.04Å; L225-E278 HydrophobicContact CD1-CG 4.39Å; L225-E278 HydrophobicContact CD2-CG 4.41Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; S275-E278 WeakPolarHBondContact CA-OE1 3.48Å; G276-E278 WeakPolarHBondContact CA-OE2 3.34Å; G276-E278 VanDerWaalsContact N-CD 3.31Å; G276-E278 PolarHBondContact N-OE1 3.01Å; G276-E278 PolarHBondContact N-OE2 3.24Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.38Å; E278-Y281 PolarHBondContact O-N 2.95Å; E278-W298 HydrophobicContact CB-CB 4.29Å; E278-W298 HydrophobicContact CB-CG 4.24Å
279	Q	91.1	Very high	94	Very high	93 Å²	93	35.2 Å²	35.2	44%	0.435	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-69.3	-20.8	179.4	-65.4	-60.5	-38.5	0	0	114	E277 W298	E277-Q279 PolarHBondContact O-N 3.24Å; Q279-W298 PolarHBondContact NE2-O 3.26Å; Q279-W298 PolarHBondContact OE1-O 2.83Å
280	R	93.9	Very high	93.8	Very high	100 Å²	100	35.8 Å²	35.8	38%	0.377	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-76.3	-18.2	177.1	-61.8	174.4	66.7	-174.4	5.7	111.8	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.31Å; R243-R280 HydrophobicContact CG-CB 4.28Å; D244-R280 PolarHBondContact N-O 2.99Å; D244-R280 IonicContact OD1-NE 2.85Å; D244-R280 IonicContact OD2-CZ 3.13Å; D244-R280 IonicContact OD2-NE 3.68Å; D244-R280 PolarHBondContact OD2-NE 2.86Å; D244-R280 IonicContact OD2-NH2 2.65Å; D244-R280 PolarHBondContact OD2-NH2 2.78Å; E277-R280 VanDerWaalsContact CD-NH1 3.29Å; E277-R280 VanDerWaalsContact O-CB 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.48Å; E277-R280 PolarHBondContact O-N 3.25Å; E277-R280 IonicContact OE1-NH1 2.74Å; E277-R280 IonicContact OE2-CZ 3.63Å; E277-R280 IonicContact OE2-NH1 2.79Å; E277-R280 PolarHBondContact OE2-NH1 3.19Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.38Å
281	Y	94.7	Very high	93.6	Very high	6 Å²	6	41.9 Å²	41.9	2%	0.024	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	129.7	-178.3	-66.2	-99.4	0	0	0	111.2	Q242 R243 Q248 V271 V273 E277 E278	Q242-Y281 CarbonylContact O-C 3.54Å; Q242-Y281 VanDerWaalsContact O-CA 3.28Å; Q242-Y281 WeakPolarHBondContact O-CA 3.31Å; R243-Y281 HydrophobicContact CB-CD1 4.08Å; R243-Y281 HydrophobicContact CB-CE1 3.92Å; R243-Y281 WeakPolarHBondContact CD-OH 3.23Å; R243-Y281 HydrophobicContact CG-CD1 4.44Å; R243-Y281 HydrophobicContact CG-CE1 4.11Å; R243-Y281 HydrophobicContact CG-CE2 4.22Å; Q248-Y281 HydrophobicContact CG-CE1 4.41Å; V271-Y281 HydrophobicContact CG1-CD1 4.09Å; V271-Y281 HydrophobicContact CG2-CD1 4.28Å; V271-Y281 HydrophobicContact CG2-CE1 4.04Å; V273-Y281 HydrophobicContact CB-CD2 3.96Å; V273-Y281 HydrophobicContact CB-CE2 3.69Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.52Å; V273-Y281 HydrophobicContact CG1-CE1 3.72Å; V273-Y281 HydrophobicContact CG1-CE2 3.54Å; V273-Y281 HydrophobicContact CG1-CG 3.62Å; E277-Y281 HydrophobicContact CB-CE2 4.25Å; E277-Y281 VanDerWaalsContact O-CD2 3.32Å; E277-Y281 WeakPolarHBondContact O-CD2 3.44Å; E278-Y281 PolarHBondContact O-N 2.95Å
282	T	95.9	Very high	93.4	Very high	10 Å²	10	49.5 Å²	49.5	6%	0.061	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134.3	175.9	45.2	0	0	0	0	110.6	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.06Å; W241-T282 VanDerWaalsContact CE3-C 3.5Å; Q242-T282 PolarHBondContact N-O 2.75Å; Q242-T282 PolarHBondContact O-N 2.86Å; T282-H284 PolarHBondContact OG1-NE2 3.33Å; T282-T295 HydrophobicContact CG2-CG2 3.85Å; T282-L296 CarbonylContact C-O 3.57Å; T282-L296 WeakPolarHBondContact CA-O 3.18Å; T282-R297 HydrophobicContact CG2-CG 3.46Å; T282-R297 VanDerWaalsContact CG2-CG 3.46Å
283	C	96.4	Very high	93.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	127.8	168.9	174.8	0	0	0	0	109.6	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.24Å; C227-C283 WeakPolarHBondContact SG-CB 3.47Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.25Å; T240-C283 CarbonylContact O-C 3.59Å; T240-C283 WeakPolarHBondContact O-CA 3.32Å; W241-C283 HydrophobicContact CD2-CB 4.21Å; W241-C283 HydrophobicContact CE3-CB 4.15Å; W241-C283 HydrophobicContact CH2-CB 4.23Å; W241-C283 HydrophobicContact CZ2-CB 4.22Å; W241-C283 HydrophobicContact CZ3-CB 4.15Å; C283-T295 CarbonylContact O-C 3.56Å; C283-T295 WeakPolarHBondContact O-CA 3.47Å; C283-L296 HydrophobicContact CB-CB 4.26Å; C283-L296 PolarHBondContact N-O 3.3Å; C283-L296 PolarHBondContact O-N 3.16Å
284	H	95.9	Very high	93.3	Very high	32 Å²	32	52.5 Å²	52.5	15%	0.148	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126	177.5	-64.9	-108.3	0	0	0	109.6	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.49Å; T240-H284 PolarHBondContact N-O 2.98Å; T240-H284 PolarHBondContact O-N 2.85Å; T240-H284 WeakPolarHBondContact OG1-CB 3.44Å; Q242-H284 PolarHBondContact OE1-CE1 3.03Å; Q242-H284 PolarHBondContact OE1-NE2 2.88Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.15Å; T282-H284 PolarHBondContact OG1-NE2 3.33Å; H284-L294 CarbonylContact C-O 3.59Å; H284-L294 WeakPolarHBondContact CA-O 3.18Å; H284-T295 PolarHBondContact CE1-OG1 3.04Å; H284-T295 PolarHBondContact ND1-OG1 2.83Å
285	V	96.7	Very high	93.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	121	-178.3	-175	0	0	0	0	108.9	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.98Å; T211-V285 HydrophobicContact CG2-CG1 4.27Å; T211-V285 HydrophobicContact CG2-CG2 4.11Å; I237-V285 HydrophobicContact CD1-CG1 3.95Å; I237-V285 HydrophobicContact CG1-CG1 4.31Å; T238-V285 WeakPolarHBondContact O-CA 3.13Å; L239-V285 HydrophobicContact CD1-CG1 4.03Å; L239-V285 HydrophobicContact CD1-CG2 4.48Å; L239-V285 HydrophobicContact CG-CG2 4.3Å; V285-L290 HydrophobicContact CG1-CD1 4.19Å; V285-P293 WeakPolarHBondContact O-CA 3.49Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.07Å; V285-L294 PolarHBondContact O-N 3.11Å; V285-L296 HydrophobicContact CG2-CD1 4.05Å
286	Q	96.1	Very high	93.5	Very high	66 Å²	66	52.9 Å²	52.9	31%	0.308	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.5	174.2	-50.4	-178.3	27.9	0	0	108.9	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.48Å; T238-Q286 PolarHBondContact N-O 3.5Å; T238-Q286 PolarHBondContact O-N 3.21Å; Q286-P293 HydrophobicContact CG-CB 4.07Å; Q286-P293 HydrophobicContact CG-CG 4.14Å
287	H	94.6	Very high	93.7	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.019	29%	0.286	C	S	.	.			trans	-155.8	143.8	-178.6	-174.5	-99.9	0	0	0	108.3	W23 D207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 WeakPolarHBondContact CH2-O 3.37Å; D207-H287 PolarHBondContact O-CE1 3.2Å; D207-H287 VanDerWaalsContact O-CE1 3.31Å; P209-H287 HydrophobicContact CG-CB 4.1Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.69Å; Y233-H287 PolarHBondContact O-CE1 3.31Å; P234-H287 PolarHBondContact O-NE2 3.2Å; E236-H287 PolarHBondContact O-CD2 2.95Å; I237-H287 HydrophobicContact CD1-CB 4.24Å; I237-H287 HydrophobicContact CG1-CB 4.03Å; H287-G289 PolarHBondContact ND1-N 2.62Å; H287-G289 PolarHBondContact O-N 2.99Å; H287-G289 VanDerWaalsContact O-N 3.15Å; H287-L290 HydrophobicContact CB-CD1 3.97Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.29Å; H287-L290 PolarHBondContact O-N 2.83Å
288	E	90.6	Very high	93.5	Very high	81 Å²	81	56 Å²	56	38%	0.379	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-30.3	-179.3	-173.3	-179.2	170.8	0	0	112.8	W23 T206 L290	W23-E288 HydrophobicContact CE3-CG 4.38Å; W23-E288 VanDerWaalsContact CZ3-O 3.3Å; W23-E288 WeakPolarHBondContact CZ3-O 3.13Å; T206-E288 HydrophobicContact CG2-CB 3.98Å; T206-E288 HydrophobicContact CG2-CG 4.09Å; E288-L290 PolarHBondContact O-N 3.49Å
289	G	91.3	Very high	92.8	Very high	19 Å²	19	61.8 Å²	61.8	20%	0.196	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-10.4	179	0	0	0	0	0	113.8	H287	H287-G289 PolarHBondContact ND1-N 2.62Å; H287-G289 PolarHBondContact O-N 2.99Å; H287-G289 VanDerWaalsContact O-N 3.15Å
290	L	93.5	Very high	91.3	Very high	12 Å²	12	63.4 Å²	63.4	6%	0.063	32%	0.316	C	S	.	.	S	Bend	trans	-97.8	124	179.4	-63.7	171.1	0	0	0	110	W23 P208 P209 V285 H287 E288 K292 L294	W23-L290 WeakPolarHBondContact CH2-O 3.36Å; W23-L290 WeakPolarHBondContact CZ3-O 3.33Å; P208-L290 HydrophobicContact CB-CD2 3.9Å; P209-L290 HydrophobicContact CG-CD1 3.83Å; P209-L290 HydrophobicContact CG-CD2 4.37Å; P209-L290 HydrophobicContact CG-CG 4.17Å; V285-L290 HydrophobicContact CG1-CD1 4.19Å; H287-L290 HydrophobicContact CB-CD1 3.97Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.29Å; H287-L290 PolarHBondContact O-N 2.83Å; E288-L290 PolarHBondContact O-N 3.49Å; L290-K292 WeakPolarHBondContact CB-O 3.31Å; L290-K292 PolarHBondContact O-N 2.87Å; L290-K292 VanDerWaalsContact O-N 3.08Å; L290-L294 HydrophobicContact CD1-CB 4.41Å; L290-L294 HydrophobicContact CD1-CD1 3.82Å; L290-L294 HydrophobicContact CD1-CG 3.81Å; L290-L294 HydrophobicContact CD2-CD1 3.56Å; L290-L294 HydrophobicContact CD2-CG 3.92Å; L290-L294 HydrophobicContact CG-CD1 4.34Å; L290-L294 HydrophobicContact CG-CG 4.43Å
291	P	91.4	Very high	89.1	Confident	129 Å²	129	63.6 Å²	63.6	84%	0.838	33%	0.333	S	S	*	.	S	Bend	trans	-63.6	-22.2	178.3	26.8	-35.2	0	0	0	112.9
292	K	92.2	Very high	86.6	Confident	163 Å²	163	67.7 Å²	67.7	71%	0.709	36%	0.362	S	S	*	.	S	Bend	trans	-147	150.6	173.6	-64.1	-176.4	-177.7	176.9	0	109	L290 L294	L290-K292 WeakPolarHBondContact CB-O 3.31Å; L290-K292 PolarHBondContact O-N 2.87Å; L290-K292 VanDerWaalsContact O-N 3.08Å; K292-L294 PolarHBondContact O-N 2.91Å
293	P	94	Very high	84.1	Confident	72 Å²	72	75 Å²	75	47%	0.468	40%	0.395	S	S	.	.			trans	-50.2	137.3	170.8	-28.8	36.7	0	0	0	112.1	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.49Å; Q286-P293 HydrophobicContact CG-CB 4.07Å; Q286-P293 HydrophobicContact CG-CG 4.14Å
294	L	94.5	Very high	81.3	Confident	63 Å²	63	80.6 Å²	80.6	33%	0.33	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	141.2	173.8	-68	176.5	0	0	0	109.9	T211 H284 V285 L290 K292	T211-L294 HydrophobicContact CG2-CD1 4.34Å; H284-L294 CarbonylContact C-O 3.59Å; H284-L294 WeakPolarHBondContact CA-O 3.18Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.07Å; V285-L294 PolarHBondContact O-N 3.11Å; L290-L294 HydrophobicContact CD1-CB 4.41Å; L290-L294 HydrophobicContact CD1-CD1 3.82Å; L290-L294 HydrophobicContact CD1-CG 3.81Å; L290-L294 HydrophobicContact CD2-CD1 3.56Å; L290-L294 HydrophobicContact CD2-CG 3.92Å; L290-L294 HydrophobicContact CG-CD1 4.34Å; L290-L294 HydrophobicContact CG-CG 4.43Å; K292-L294 PolarHBondContact O-N 2.91Å
295	T	95.2	Very high	79.1	Confident	77 Å²	77	85 Å²	85	47%	0.472	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	118.5	171.5	-59	0	0	0	0	108.6	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.85Å; C283-T295 CarbonylContact O-C 3.56Å; C283-T295 WeakPolarHBondContact O-CA 3.47Å; H284-T295 PolarHBondContact CE1-OG1 3.04Å; H284-T295 PolarHBondContact ND1-OG1 2.83Å
296	L	93.7	Very high	77.3	Confident	35 Å²	35	90.3 Å²	90.3	18%	0.183	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	137.7	-179.2	-60.9	156.2	0	0	0	109.2	T211 M213 T282 C283 V285	T211-L296 HydrophobicContact CG2-CD1 4.12Å; M213-L296 HydrophobicContact CG-CB 4.25Å; M213-L296 HydrophobicContact SD-CB 3.7Å; T282-L296 CarbonylContact C-O 3.57Å; T282-L296 WeakPolarHBondContact CA-O 3.18Å; C283-L296 HydrophobicContact CB-CB 4.26Å; C283-L296 PolarHBondContact N-O 3.3Å; C283-L296 PolarHBondContact O-N 3.16Å; V285-L296 HydrophobicContact CG2-CD1 4.05Å
297	R	91.7	Very high	75.5	Confident	158 Å²	158	91.8 Å²	91.8	60%	0.596	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	148.3	170.3	-74.1	-177.1	176.6	169.8	-1.4	108.7	M213 T282 E299	M213-R297 VanDerWaalsContact SD-O 3.32Å; T282-R297 HydrophobicContact CG2-CG 3.46Å; T282-R297 VanDerWaalsContact CG2-CG 3.46Å; R297-E299 PolarHBondContact O-N 3.43Å
298	W	87.9	Confident	74	Confident	32 Å²	32	96.8 Å²	96.8	12%	0.121	53%	0.529	C	S	.	.			trans	-63.5	120.9	172.7	175.3	-117.3	0	0	0	108.6	M213 H215 L225 E278 Q279	M213-W298 HydrophobicContact CB-CE3 3.99Å; M213-W298 HydrophobicContact CB-CZ3 4.38Å; M213-W298 HydrophobicContact CE-CB 4.33Å; M213-W298 PolarHBondContact SD-N 2.84Å; M213-W298 VanDerWaalsContact SD-N 3.41Å; H215-W298 HydrophobicContact CB-CD2 4.17Å; H215-W298 HydrophobicContact CB-CE3 4.11Å; H215-W298 HydrophobicContact CB-CH2 3.34Å; H215-W298 HydrophobicContact CB-CZ2 3.36Å; H215-W298 HydrophobicContact CB-CZ3 3.72Å; H215-W298 AromaticContact CG-CZ2 3.91Å; L225-W298 HydrophobicContact CD1-CB 4.31Å; L225-W298 HydrophobicContact CD2-CB 4.1Å; L225-W298 HydrophobicContact CD2-CD2 4.03Å; L225-W298 HydrophobicContact CD2-CE3 4.27Å; L225-W298 HydrophobicContact CD2-CG 3.94Å; E278-W298 HydrophobicContact CB-CB 4.29Å; E278-W298 HydrophobicContact CB-CG 4.24Å; Q279-W298 PolarHBondContact NE2-O 3.26Å; Q279-W298 PolarHBondContact OE1-O 2.83Å
299	E	77.6	Confident	72.6	Confident	146 Å²	146	98.6 Å²	98.6	68%	0.682	55%	0.546	S	S	*	.			trans	-101.7	126.2	171.8	-72.1	-175.2	174.3	0	0	108.6	R297 S301	R297-E299 PolarHBondContact O-N 3.43Å; E299-S301 PolarHBondContact O-N 2.69Å
300	L	60.3	Low	71.4	Confident	126 Å²	126	99.8 Å²	99.8	66%	0.66	56%	0.559	S	S	*	*			trans	-63.6	3.1	178.2	-99	87.8	0	0	0	114.2	S302	L300-S302 VanDerWaalsContact C-N 3.27Å; L300-S302 PolarHBondContact O-N 3.32Å
301	S	46.3	Very low	70.5	Confident	104 Å²	104	103.7 Å²	103.7	73%	0.727	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	13.7	-162	-166.3	0	0	0	0	116.3	E299	E299-S301 PolarHBondContact O-N 2.69Å
302	S	43.3	Very low	69.6	Low	92 Å²	92	102.2 Å²	102.2	64%	0.643	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.9	31.4	178.3	66.7	0	0	0	0	114.4	L300	L300-S302 VanDerWaalsContact C-N 3.27Å; L300-S302 PolarHBondContact O-N 3.32Å
303	Q	42.4	Very low	68.8	Low	163 Å²	163	96.8 Å²	96.8	76%	0.762	55%	0.548	S	S	*	.	S	Bend	trans	-92.8	124.9	150.7	-77.8	-171.6	-12.9	0	0	107.9	T305	Q303-T305 VanDerWaalsContact C-N 3.32Å; Q303-T305 PolarHBondContact O-N 3.31Å
304	P	39.1	Very low	68.2	Low	119 Å²	119	94.9 Å²	94.9	77%	0.773	54%	0.541	S	S	*	.			trans	-63.5	102.7	168.7	26.3	-29.3	0	0	0	106.4	I306	P304-I306 PolarHBondContact O-N 3.37Å
305	T	49.4	Very low	67.8	Low	124 Å²	124	97.3 Å²	97.3	76%	0.761	55%	0.554	S	S	*	*			trans	-61.6	98.7	167.5	-33.2	0	0	0	0	105.2	Q303 P307	Q303-T305 VanDerWaalsContact C-N 3.32Å; Q303-T305 PolarHBondContact O-N 3.31Å; T305-P307 VanDerWaalsContact O-N 3.13Å
306	I	58.5	Low	67.3	Low	112 Å²	112	98.3 Å²	98.3	57%	0.574	56%	0.56	S	S	*	*			trans	-44.2	126	168.6	-63.6	172.4	0	0	0	105.3	P304 I308 I311	P304-I306 PolarHBondContact O-N 3.37Å; I306-I308 WeakPolarHBondContact O-CG1 3.41Å; I306-I308 PolarHBondContact O-N 2.98Å; I306-I311 HydrophobicContact CG2-CD1 3.73Å
307	P	58.2	Low	66.7	Low	96 Å²	96	102.3 Å²	102.3	62%	0.623	58%	0.581	S	S	*	*			trans	-70.4	87.1	-174.9	27.6	-32.9	0	0	0	108	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-N 3.13Å; P307-V309 PolarHBondContact O-N 2.83Å; P307-G310 PolarHBondContact O-N 3.43Å; P307-I311 PolarHBondContact O-N 2.97Å
308	I	63	Low	66.3	Low	109 Å²	109	99.9 Å²	99.9	56%	0.559	58%	0.579	S	S	*	*	H	α-helix	trans	-53.2	-32	178.7	-68.3	166.7	0	0	0	109.4	I306 G310 I311 I312	I306-I308 WeakPolarHBondContact O-CG1 3.41Å; I306-I308 PolarHBondContact O-N 2.98Å; I308-G310 PolarHBondContact O-N 3.06Å; I308-I311 PolarHBondContact O-N 3.26Å; I308-I312 HydrophobicContact CG2-CD1 3.69Å; I308-I312 HydrophobicContact CG2-CG1 4.29Å; I308-I312 VanDerWaalsContact O-CG1 3.3Å; I308-I312 WeakPolarHBondContact O-CG1 3.49Å; I308-I312 PolarHBondContact O-N 3.35Å
309	V	60.4	Low	66.1	Low	119 Å²	119	100.1 Å²	100.1	72%	0.721	59%	0.591	S	S	*	*	H	α-helix	trans	-61.3	-39.7	175.3	-175.8	0	0	0	0	112.7	P307 A313	P307-V309 PolarHBondContact O-N 2.83Å; V309-A313 WeakPolarHBondContact O-CB 3.34Å; V309-A313 PolarHBondContact O-N 3.16Å
310	G	67.3	Low	66.3	Low	45 Å²	45	95.9 Å²	95.9	46%	0.464	58%	0.581	S	S	.	*	H	α-helix	trans	-69.7	-36.6	178.8	0	0	0	0	0	112.7	P307 I308 G314	P307-G310 PolarHBondContact O-N 3.43Å; I308-G310 PolarHBondContact O-N 3.06Å; G310-G314 PolarHBondContact O-N 2.85Å
311	I	73.4	Confident	67.4	Low	94 Å²	94	94.7 Å²	94.7	48%	0.482	58%	0.579	S	S	.	*	H	α-helix	trans	-69	-44.5	176.1	-61.5	175.3	0	0	0	110.4	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.73Å; P307-I311 PolarHBondContact O-N 2.97Å; I308-I311 PolarHBondContact O-N 3.26Å; I311-G314 PolarHBondContact O-N 2.94Å; I311-L315 HydrophobicContact CG2-CD1 3.98Å; I311-L315 HydrophobicContact CG2-CG 4.46Å; I311-L315 WeakPolarHBondContact O-CB 3.49Å; I311-L315 VanDerWaalsContact O-CG 3.31Å; I311-L315 WeakPolarHBondContact O-CG 3.45Å; I311-L315 PolarHBondContact O-N 2.89Å
312	I	74.1	Confident	69.1	Low	97 Å²	97	94.6 Å²	94.6	50%	0.497	57%	0.569	S	S	.	*	H	α-helix	trans	-63.5	-46.4	177.6	-66.8	169.9	0	0	0	110.7	I308 G314 L315 V316	I308-I312 HydrophobicContact CG2-CD1 3.69Å; I308-I312 HydrophobicContact CG2-CG1 4.29Å; I308-I312 VanDerWaalsContact O-CG1 3.3Å; I308-I312 WeakPolarHBondContact O-CG1 3.49Å; I308-I312 PolarHBondContact O-N 3.35Å; I312-G314 VanDerWaalsContact C-N 3.32Å; I312-G314 PolarHBondContact O-N 3.09Å; I312-L315 PolarHBondContact O-N 3.4Å; I312-V316 HydrophobicContact CG2-CG2 4.32Å; I312-V316 VanDerWaalsContact O-CG2 3.28Å; I312-V316 WeakPolarHBondContact O-CG2 3.44Å; I312-V316 PolarHBondContact O-N 3.17Å
313	A	75.3	Confident	70.8	Confident	49 Å²	49	94.3 Å²	94.3	41%	0.405	56%	0.564	S	S	.	*	H	α-helix	trans	-60.9	-41.9	177.4	0	0	0	0	0	111.9	V309 V316 L317	V309-A313 WeakPolarHBondContact O-CB 3.34Å; V309-A313 PolarHBondContact O-N 3.16Å; A313-V316 PolarHBondContact O-N 2.95Å; A313-L317 WeakPolarHBondContact O-CB 3.28Å; A313-L317 WeakPolarHBondContact O-CG 3.36Å; A313-L317 PolarHBondContact O-N 3.36Å
314	G	80.8	Confident	72.6	Confident	32 Å²	32	88.5 Å²	88.5	33%	0.33	55%	0.548	S	S	.	.	H	α-helix	trans	-61.6	-44.4	175.1	0	0	0	0	0	112.9	G310 I311 I312 L317 L318	G310-G314 PolarHBondContact O-N 2.85Å; I311-G314 PolarHBondContact O-N 2.94Å; I312-G314 VanDerWaalsContact C-N 3.32Å; I312-G314 PolarHBondContact O-N 3.09Å; G314-L317 PolarHBondContact O-N 3.17Å; G314-L318 WeakPolarHBondContact O-CB 3.39Å; G314-L318 PolarHBondContact O-N 2.72Å
315	L	85.6	Confident	74.5	Confident	115 Å²	115	85.6 Å²	85.6	60%	0.602	53%	0.534	S	S	*	.	H	α-helix	trans	-66.4	-39.9	177.9	-73.6	171.3	0	0	0	112.5	I311 I312 L318 G319	I311-L315 HydrophobicContact CG2-CD1 3.98Å; I311-L315 HydrophobicContact CG2-CG 4.46Å; I311-L315 WeakPolarHBondContact O-CB 3.49Å; I311-L315 VanDerWaalsContact O-CG 3.31Å; I311-L315 WeakPolarHBondContact O-CG 3.45Å; I311-L315 PolarHBondContact O-N 2.89Å; I312-L315 PolarHBondContact O-N 3.4Å; L315-L318 PolarHBondContact O-N 2.98Å; L315-G319 PolarHBondContact O-N 3.36Å
316	V	84.6	Confident	76	Confident	98 Å²	98	83.7 Å²	83.7	59%	0.594	52%	0.522	S	S	*	.	H	α-helix	trans	-65.2	-42.9	176.5	171.5	0	0	0	0	110.9	I312 A313 G319 A320	I312-V316 HydrophobicContact CG2-CG2 4.32Å; I312-V316 VanDerWaalsContact O-CG2 3.28Å; I312-V316 WeakPolarHBondContact O-CG2 3.44Å; I312-V316 PolarHBondContact O-N 3.17Å; A313-V316 PolarHBondContact O-N 2.95Å; V316-G319 PolarHBondContact O-N 2.93Å; V316-A320 WeakPolarHBondContact O-CB 3.23Å; V316-A320 PolarHBondContact O-N 3.39Å
317	L	81.8	Confident	77	Confident	118 Å²	118	82.5 Å²	82.5	62%	0.618	52%	0.52	S	S	*	.	H	α-helix	trans	-63.6	-44.1	176.3	-76.5	168	0	0	0	111.9	A313 G314 G319 A320 V321	A313-L317 WeakPolarHBondContact O-CB 3.28Å; A313-L317 WeakPolarHBondContact O-CG 3.36Å; A313-L317 PolarHBondContact O-N 3.36Å; G314-L317 PolarHBondContact O-N 3.17Å; L317-G319 VanDerWaalsContact C-N 3.34Å; L317-G319 PolarHBondContact O-N 2.96Å; L317-A320 PolarHBondContact O-N 3.37Å; L317-V321 VanDerWaalsContact O-CG2 3.31Å; L317-V321 WeakPolarHBondContact O-CG2 3.42Å; L317-V321 PolarHBondContact O-N 3.45Å
318	L	83.2	Confident	77.8	Confident	107 Å²	107	80.6 Å²	80.6	56%	0.56	51%	0.512	S	S	*	.	H	α-helix	trans	-59.7	-44.8	174.2	-103.1	145.7	0	0	0	111.6	G314 L315 A320 V321 I322	G314-L318 WeakPolarHBondContact O-CB 3.39Å; G314-L318 PolarHBondContact O-N 2.72Å; L315-L318 PolarHBondContact O-N 2.98Å; L318-A320 VanDerWaalsContact C-N 3.34Å; L318-A320 PolarHBondContact O-N 2.86Å; L318-V321 PolarHBondContact O-N 3.29Å; L318-I322 HydrophobicContact CD2-CD1 4.39Å; L318-I322 VanDerWaalsContact O-CG1 3.25Å; L318-I322 WeakPolarHBondContact O-CG1 3.44Å; L318-I322 PolarHBondContact O-N 3.47Å
319	G	83.3	Confident	78.4	Confident	37 Å²	37	78.1 Å²	78.1	38%	0.381	51%	0.508	S	S	.	.	H	α-helix	trans	-58.3	-44.5	175.5	0	0	0	0	0	112.7	L315 V316 L317 I322 T323	L315-G319 PolarHBondContact O-N 3.36Å; V316-G319 PolarHBondContact O-N 2.93Å; L317-G319 VanDerWaalsContact C-N 3.34Å; L317-G319 PolarHBondContact O-N 2.96Å; G319-I322 PolarHBondContact O-N 3.34Å; G319-T323 PolarHBondContact O-N 3.26Å; G319-T323 PolarHBondContact O-OG1 3.13Å
320	A	81.9	Confident	79.1	Confident	57 Å²	57	76.5 Å²	76.5	47%	0.471	50%	0.498	S	S	.	.	H	α-helix	trans	-66.4	-40	178.3	0	0	0	0	0	112.8	V316 L317 L318 T323 G324	V316-A320 WeakPolarHBondContact O-CB 3.23Å; V316-A320 PolarHBondContact O-N 3.39Å; L317-A320 PolarHBondContact O-N 3.37Å; L318-A320 VanDerWaalsContact C-N 3.34Å; L318-A320 PolarHBondContact O-N 2.86Å; A320-T323 WeakPolarHBondContact CA-OG1 3.41Å; A320-T323 PolarHBondContact O-OG1 3.1Å; A320-G324 PolarHBondContact O-N 3.04Å
321	V	84.6	Confident	79.4	Confident	102 Å²	102	80.5 Å²	80.5	62%	0.618	51%	0.506	S	S	*	.	H	α-helix	trans	-66.1	-43.4	176.9	171.7	0	0	0	0	110.9	L317 L318 G324 A325	L317-V321 VanDerWaalsContact O-CG2 3.31Å; L317-V321 WeakPolarHBondContact O-CG2 3.42Å; L317-V321 PolarHBondContact O-N 3.45Å; L318-V321 PolarHBondContact O-N 3.29Å; V321-G324 PolarHBondContact O-N 2.71Å; V321-A325 WeakPolarHBondContact O-CB 3.46Å; V321-A325 PolarHBondContact O-N 3.09Å
322	I	82	Confident	79.3	Confident	101 Å²	101	85.8 Å²	85.8	52%	0.518	52%	0.52	S	S	.	.	H	α-helix	trans	-64.3	-46	178.7	-67.3	167.8	0	0	0	110.4	L318 G319 G324 A325 V326	L318-I322 HydrophobicContact CD2-CD1 4.39Å; L318-I322 VanDerWaalsContact O-CG1 3.25Å; L318-I322 WeakPolarHBondContact O-CG1 3.44Å; L318-I322 PolarHBondContact O-N 3.47Å; G319-I322 PolarHBondContact O-N 3.34Å; I322-G324 PolarHBondContact O-N 3.27Å; I322-A325 PolarHBondContact O-N 2.92Å; I322-V326 HydrophobicContact CG2-CG2 4.48Å; I322-V326 VanDerWaalsContact O-CG2 3.28Å; I322-V326 WeakPolarHBondContact O-CG2 3.39Å; I322-V326 PolarHBondContact O-N 3.47Å
323	T	78.2	Confident	78.9	Confident	87 Å²	87	90.9 Å²	90.9	53%	0.534	53%	0.533	S	S	.	.	H	α-helix	trans	-62.9	-42.3	176.4	30.8	0	0	0	0	111.9	G319 A320 A325 V326 V327	G319-T323 PolarHBondContact O-N 3.26Å; G319-T323 PolarHBondContact O-OG1 3.13Å; A320-T323 WeakPolarHBondContact CA-OG1 3.41Å; A320-T323 PolarHBondContact O-OG1 3.1Å; T323-A325 PolarHBondContact O-N 3.39Å; T323-V326 PolarHBondContact O-N 3.22Å; T323-V327 VanDerWaalsContact O-CG2 3.29Å; T323-V327 WeakPolarHBondContact O-CG2 3.45Å; T323-V327 PolarHBondContact O-N 2.76Å
324	G	79.6	Confident	78.3	Confident	41 Å²	41	98.1 Å²	98.1	42%	0.423	55%	0.55	S	S	.	.	H	α-helix	trans	-59.2	-44.8	174.2	0	0	0	0	0	113	A320 V321 I322 V327 A328	A320-G324 PolarHBondContact O-N 3.04Å; V321-G324 PolarHBondContact O-N 2.71Å; I322-G324 PolarHBondContact O-N 3.27Å; G324-V327 PolarHBondContact O-N 3.47Å; G324-A328 WeakPolarHBondContact O-CB 3.17Å; G324-A328 PolarHBondContact O-N 2.91Å
325	A	79.4	Confident	77	Confident	58 Å²	58	105 Å²	105	48%	0.479	57%	0.571	S	S	.	*	H	α-helix	trans	-64.9	-40.7	178	0	0	0	0	0	112.4	V321 I322 T323 A328 A329	V321-A325 WeakPolarHBondContact O-CB 3.46Å; V321-A325 PolarHBondContact O-N 3.09Å; I322-A325 PolarHBondContact O-N 2.92Å; T323-A325 PolarHBondContact O-N 3.39Å; A325-A328 PolarHBondContact O-N 2.87Å; A325-A329 VanDerWaalsContact O-CB 3.31Å; A325-A329 WeakPolarHBondContact O-CB 3.3Å; A325-A329 PolarHBondContact O-N 3.16Å
326	V	81.6	Confident	75.5	Confident	83 Å²	83	103.2 Å²	103.2	50%	0.503	57%	0.568	S	S	.	*	H	α-helix	trans	-64.5	-45.4	176.2	172.1	0	0	0	0	110.7	I322 T323 A328 A329 V330	I322-V326 HydrophobicContact CG2-CG2 4.48Å; I322-V326 VanDerWaalsContact O-CG2 3.28Å; I322-V326 WeakPolarHBondContact O-CG2 3.39Å; I322-V326 PolarHBondContact O-N 3.47Å; T323-V326 PolarHBondContact O-N 3.22Å; V326-A328 PolarHBondContact O-N 2.93Å; V326-A329 PolarHBondContact O-N 2.82Å; V326-V330 HydrophobicContact CG1-CG2 4.43Å; V326-V330 WeakPolarHBondContact O-CB 3.48Å; V326-V330 VanDerWaalsContact O-CG2 3.28Å; V326-V330 WeakPolarHBondContact O-CG2 2.91Å; V326-V330 PolarHBondContact O-N 2.79Å
327	V	79.2	Confident	73.9	Confident	87 Å²	87	103 Å²	103	53%	0.527	57%	0.571	S	S	.	*	H	α-helix	trans	-62.1	-44.8	177.4	172.5	0	0	0	0	110.8	T323 G324 A329 V330 M331	T323-V327 VanDerWaalsContact O-CG2 3.29Å; T323-V327 WeakPolarHBondContact O-CG2 3.45Å; T323-V327 PolarHBondContact O-N 2.76Å; G324-V327 PolarHBondContact O-N 3.47Å; V327-A329 PolarHBondContact O-N 2.75Å; V327-V330 PolarHBondContact O-N 2.89Å; V327-M331 HydrophobicContact CG1-SD 4.21Å; V327-M331 WeakPolarHBondContact O-CB 3.4Å; V327-M331 WeakPolarHBondContact O-CG 3.46Å; V327-M331 PolarHBondContact O-N 3.03Å
328	A	75.1	Confident	72.3	Confident	56 Å²	56	104.7 Å²	104.7	46%	0.463	58%	0.581	S	S	.	*	H	α-helix	trans	-61.9	-42.7	176.6	0	0	0	0	0	112.2	G324 A325 V326 M331 W332	G324-A328 WeakPolarHBondContact O-CB 3.17Å; G324-A328 PolarHBondContact O-N 2.91Å; A325-A328 PolarHBondContact O-N 2.87Å; V326-A328 PolarHBondContact O-N 2.93Å; A328-M331 PolarHBondContact O-N 3.21Å; A328-W332 WeakPolarHBondContact O-CB 3.33Å; A328-W332 PolarHBondContact O-N 2.88Å
329	A	75.1	Confident	70.6	Confident	57 Å²	57	110.3 Å²	110.3	47%	0.471	59%	0.594	S	S	.	*	H	α-helix	trans	-65.2	-39.2	176.8	0	0	0	0	0	112.5	A325 V326 V327 W332 R333	A325-A329 VanDerWaalsContact O-CB 3.31Å; A325-A329 WeakPolarHBondContact O-CB 3.3Å; A325-A329 PolarHBondContact O-N 3.16Å; V326-A329 PolarHBondContact O-N 2.82Å; V327-A329 PolarHBondContact O-N 2.75Å; A329-W332 PolarHBondContact O-N 3.31Å; A329-R333 PolarHBondContact O-N 3.28Å
330	V	74.3	Confident	68.6	Low	85 Å²	85	118.7 Å²	118.7	52%	0.515	62%	0.62	S	S	.	*	H	α-helix	trans	-66.8	-42.7	175.6	170.7	0	0	0	0	111.1	V326 V327 W332 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.43Å; V326-V330 WeakPolarHBondContact O-CB 3.48Å; V326-V330 VanDerWaalsContact O-CG2 3.28Å; V326-V330 WeakPolarHBondContact O-CG2 2.91Å; V326-V330 PolarHBondContact O-N 2.79Å; V327-V330 PolarHBondContact O-N 2.89Å; V330-W332 VanDerWaalsContact C-N 3.34Å; V330-R333 PolarHBondContact O-N 3.27Å; V330-R334 PolarHBondContact O-N 2.9Å
331	M	74.3	Confident	66.3	Low	130 Å²	130	119.8 Å²	119.8	64%	0.64	64%	0.637	S	S	*	*	H	α-helix	trans	-63.7	-39.4	174.8	-73.4	-176.4	67.3	0	0	112	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-SD 4.21Å; V327-M331 WeakPolarHBondContact O-CB 3.4Å; V327-M331 WeakPolarHBondContact O-CG 3.46Å; V327-M331 PolarHBondContact O-N 3.03Å; A328-M331 PolarHBondContact O-N 3.21Å; M331-R334 PolarHBondContact O-N 2.97Å; M331-K335 WeakPolarHBondContact O-CB 3.48Å; M331-K335 PolarHBondContact O-N 3.18Å
332	W	71.6	Confident	63.9	Low	205 Å²	205	118.9 Å²	118.9	78%	0.777	65%	0.648	S	S	*	*	H	α-helix	trans	-63.5	-44.9	175	-161.1	-50.9	0	0	0	111.2	A328 A329 V330 R334 K335 S336	A328-W332 WeakPolarHBondContact O-CB 3.33Å; A328-W332 PolarHBondContact O-N 2.88Å; A329-W332 PolarHBondContact O-N 3.31Å; V330-W332 VanDerWaalsContact C-N 3.34Å; W332-R334 VanDerWaalsContact C-N 3.35Å; W332-R334 PolarHBondContact O-N 3.13Å; W332-K335 PolarHBondContact O-N 3.45Å; W332-K335 VanDerWaalsContact O-N 3.15Å; W332-S336 PolarHBondContact O-N 2.99Å; W332-S336 PolarHBondContact O-OG 3.24Å
333	R	66.5	Low	61.5	Low	203 Å²	203	120 Å²	120	77%	0.766	67%	0.665	S	S	*	*	H	α-helix	trans	-59.1	-44.3	175.2	-89.7	-170.8	-179.5	176.9	2	112.1	A329 V330 K335 S336 S337	A329-R333 PolarHBondContact O-N 3.28Å; V330-R333 PolarHBondContact O-N 3.27Å; R333-K335 VanDerWaalsContact C-N 3.31Å; R333-K335 PolarHBondContact O-N 3.13Å; R333-S336 WeakPolarHBondContact CA-OG 3.06Å; R333-S336 PolarHBondContact O-N 3.22Å; R333-S336 PolarHBondContact O-OG 2.96Å; R333-S337 PolarHBondContact O-N 2.75Å; R333-S337 PolarHBondContact O-OG 2.71Å
334	R	61	Low	59.4	Low	201 Å²	201	126.1 Å²	126.1	76%	0.758	68%	0.68	S	S	*	*	H	α-helix	trans	-61.5	-35.8	175.1	-98.1	-173.7	169.3	179.8	-2.4	113.1	V330 M331 W332 S337	V330-R334 PolarHBondContact O-N 2.9Å; M331-R334 PolarHBondContact O-N 2.97Å; W332-R334 VanDerWaalsContact C-N 3.35Å; W332-R334 PolarHBondContact O-N 3.13Å; R334-S337 PolarHBondContact O-OG 3.29Å
335	K	55	Low	57.3	Low	177 Å²	177	130.2 Å²	130.2	77%	0.77	70%	0.697	S	S	*	*	H	α-helix	trans	-76.9	-28	178	-164.4	172.6	-178.5	178.6	0	112.9	M331 W332 R333	M331-K335 WeakPolarHBondContact O-CB 3.48Å; M331-K335 PolarHBondContact O-N 3.18Å; W332-K335 PolarHBondContact O-N 3.45Å; W332-K335 VanDerWaalsContact O-N 3.15Å; R333-K335 VanDerWaalsContact C-N 3.31Å; R333-K335 PolarHBondContact O-N 3.13Å
336	S	53.4	Low	55.1	Low	77 Å²	77	136.3 Å²	136.3	54%	0.538	72%	0.715	S	S	.	*	H	α-helix	trans	-80.5	-18.1	176.6	58.2	0	0	0	0	114.6	W332 R333 D338	W332-S336 PolarHBondContact O-N 2.99Å; W332-S336 PolarHBondContact O-OG 3.24Å; R333-S336 WeakPolarHBondContact CA-OG 3.06Å; R333-S336 PolarHBondContact O-N 3.22Å; R333-S336 PolarHBondContact O-OG 2.96Å; S336-D338 VanDerWaalsContact C-N 3.35Å
337	S	51.5	Low	52.8	Low	95 Å²	95	137 Å²	137	66%	0.664	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-13.5	174	47.9	0	0	0	0	114	R333 R334	R333-S337 PolarHBondContact O-N 2.75Å; R333-S337 PolarHBondContact O-OG 2.71Å; R334-S337 PolarHBondContact O-OG 3.29Å
338	D	48.4	Very low	50.5	Low	152 Å²	152	137.2 Å²	137.2	81%	0.813	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	9.4	-173.6	-133.4	14.2	0	0	0	114	S336	S336-D338 VanDerWaalsContact C-N 3.35Å
339	R	46.8	Very low	48.5	Very low	226 Å²	226	140.3 Å²	140.3	85%	0.853	76%	0.759	S	S	*	*	S	Bend	trans	-138.4	62.9	-178.1	-159.7	173.5	176.8	165.3	-1.2	112.5
340	K	40.9	Very low	46.6	Very low	213 Å²	213	142.1 Å²	142.1	93%	0.926	77%	0.768	S	S	*	*			trans	-156	90.6	156.4	-116.5	175.6	-177	-179.5	0	111.1
341	G	34.8	Very low	44.8	Very low	79 Å²	79	145.4 Å²	145.4	81%	0.814	78%	0.783	S	S	*	*			trans	-138.1	102.2	167.9	0	0	0	0	0	110.5
342	G	34.3	Very low	43.1	Very low	83 Å²	83	145.1 Å²	145.1	86%	0.856	79%	0.793	S	S	*	*			trans	62.1	121.4	148.9	0	0	0	0	0	121.4
343	S	31.1	Very low	41.6	Very low	124 Å²	124	139.8 Å²	139.8	87%	0.867	79%	0.793	S	S	*	*				-175.5	144.5	109.4	-168.9	0	0	0	0	112.2
344	Y	34.1	Very low	40.3	Very low	216 Å²	216	139.6 Å²	139.6	85%	0.847	80%	0.801	S	S	*	*			trans	-87.6	161.5	-177.5	-96.7	-102.4	0	0	0	113.4
345	T	34.2	Very low	39.1	Very low	128 Å²	128	133 Å²	133	79%	0.785	80%	0.796	S	S	*	*			trans	138	111.1	142.3	49.3	0	0	0	0	110.1
346	Q	34.4	Very low	38.4	Very low	186 Å²	186	130 Å²	130	87%	0.869	80%	0.797	S	S	*	*				85.2	110.7	62	-172	174.9	2.5	0	0	113.9
347	A	32.8	Very low	37.8	Very low	98 Å²	98	132.7 Å²	132.7	81%	0.81	81%	0.806	S	S	*	*			trans	151.1	144.4	141.6	0	0	0	0	0	108.7
348	A	31.8	Very low	37.2	Very low	91 Å²	91	134 Å²	134	75%	0.752	81%	0.809	S	S	*	*			cis	-175.3	150.3	-15	0	0	0	0	0	106.7
349	S	32.7	Very low	36.9	Very low	120 Å²	120	131.2 Å²	131.2	84%	0.839	80%	0.802	S	S	*	*			trans	65.9	138.8	154.3	-145.6	0	0	0	0	118.3
350	S	34.7	Very low	36.8	Very low	96 Å²	96	127.7 Å²	127.7	67%	0.671	80%	0.799	S	S	*	*			cis	-163.1	150.1	27.3	46.9	0	0	0	0	111.9
351	D	36.4	Very low	36.8	Very low	153 Å²	153	123.8 Å²	123.8	82%	0.818	79%	0.793	S	S	*	*			trans	25.4	133.1	146.2	-63.4	-24	0	0	0	120.2
352	S	39.5	Very low	37.1	Very low	124 Å²	124	124.4 Å²	124.4	87%	0.867	79%	0.79	S	S	*	*				-179.1	174.3	66.8	27.3	0	0	0	0	111.7
353	A	39.3	Very low	37.4	Very low	93 Å²	93	125.9 Å²	125.9	77%	0.769	79%	0.786	S	S	*	*			trans	-73.1	-178.5	-156.7	0	0	0	0	0	119.4
354	Q	40	Very low	37.9	Very low	199 Å²	199	129.2 Å²	129.2	93%	0.93	79%	0.785	S	S	*	*			trans	89.8	124.2	168.9	-66.3	176.9	-29.4	0	0	114.3
355	G	34.3	Very low	38.4	Very low	63 Å²	63	129 Å²	129	65%	0.649	81%	0.806	S	S	*	*			cis	137.8	125.5	14.1	0	0	0	0	0	107.4
356	S	41.1	Very low	38.6	Very low	115 Å²	115	129.1 Å²	129.1	80%	0.804	81%	0.807	S	S	*	*			trans	61.1	150	157.9	-48.7	0	0	0	0	116.9
357	D	41.1	Very low	38.8	Very low	133 Å²	133	126.1 Å²	126.1	71%	0.711	80%	0.804	S	S	*	*			cis	-166.6	141.4	3.3	-110.4	-27	0	0	0	104
358	V	38.8	Very low	39.2	Very low	123 Å²	123	127.7 Å²	127.7	75%	0.745	80%	0.804	S	S	*	*				52.3	120.6	98.7	179.3	0	0	0	0	111.1
359	S	42.8	Very low	39.6	Very low	93 Å²	93	129.8 Å²	129.8	65%	0.65	81%	0.807	S	S	*	*			cis	-171.4	141.8	35.6	-107.6	0	0	0	0	108
360	L	42.9	Very low	40.1	Very low	152 Å²	152	130.4 Å²	130.4	80%	0.796	81%	0.805	S	S	*	*				43.4	115.9	99.9	-73.6	169.7	0	0	0	116
361	T	41.6	Very low	40.4	Very low	131 Å²	131	132.7 Å²	132.7	80%	0.804	81%	0.814	S	S	*	*				-177.8	124.3	106.7	16.1	0	0	0	0	108.5
362	A	41.6	Very low	40.7	Very low	91 Å²	91	131.3 Å²	131.3	75%	0.752	81%	0.813	S	S	*	*				69.5	141.5	82.6	0	0	0	0	0	111.4
363	C	40.5	Very low	40.8	Very low	115 Å²	115	131.8 Å²	131.8	78%	0.777	81%	0.809	S	S	*	*			cis	-178.9	168.9	-8.6	-143.2	0	0	0	0	105.3
364	K	41.5	Very low	40.9	Very low	193 Å²	193	135.1 Å²	135.1	84%	0.839	81%	0.812	S	S	*	*			trans	70.9	137.9	160.1	-78.5	171.6	168.6	172.1	0	116.2
365	V	44.7	Very low	41	Very low	213 Å²	213	129.3 Å²	129.3	100%	1.291	80%	0.802	S	S	*	*			cis	-131	0	30.5	170.1	0	0	0	0	111.2

Retrieved 365 of 365 residues in 1771.3 ms (Link to these results)

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