A0A060VCZ5_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VCZ5, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 206 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	Very low	52.3	Low	239 Å²	239	133.4 Å²	133.4	100%	1.177	71%	0.705	S	S	*	*				0	113.8	0	-68.6	176.7	-153.4	0	0	107.3	V3	M1-V3 PolarHBondContact O-N 3.36Å
2	L	44.2	Very low	52.5	Low	177 Å²	177	132.8 Å²	132.8	93%	0.927	70%	0.701	S	S	*	*			trans	-77.5	108.8	170.6	-88.3	154.1	0	0	0	107	M4	L2-M4 PolarHBondContact O-N 3.09Å; L2-M4 VanDerWaalsContact O-N 3.09Å
3	V	48.6	Very low	52.5	Low	137 Å²	137	130.4 Å²	130.4	83%	0.83	69%	0.688	S	S	*	*			trans	-70.4	103.6	173.5	179.3	0	0	0	0	106.9	M1 A5	M1-V3 PolarHBondContact O-N 3.36Å; V3-A5 PolarHBondContact O-N 3.21Å
4	M	51	Low	52.5	Low	174 Å²	174	125.6 Å²	125.6	86%	0.857	67%	0.671	S	S	*	*			trans	-70.6	108.9	170.8	-80	-174.1	57.1	0	0	108.6	L2	L2-M4 PolarHBondContact O-N 3.09Å; L2-M4 VanDerWaalsContact O-N 3.09Å
5	A	54.1	Low	52.7	Low	54 Å²	54	120.6 Å²	120.6	45%	0.446	65%	0.654	S	S	.	*			trans	-59.3	137.4	169.3	0	0	0	0	0	109.5	V3 R7 L10	V3-A5 PolarHBondContact O-N 3.21Å; A5-R7 PolarHBondContact O-N 3Å; A5-L10 HydrophobicContact CB-CD1 4.23Å
6	P	56.8	Low	52.5	Low	78 Å²	78	116.4 Å²	116.4	51%	0.506	64%	0.64	S	S	.	*			trans	-61.2	132.5	179.8	-14.9	26.5	0	0	0	109.9	T8 V9 L10	P6-T8 PolarHBondContact O-N 3.36Å; P6-V9 HydrophobicContact CB-CG2 4.11Å; P6-V9 HydrophobicContact CG-CG2 3.96Å; P6-V9 WeakPolarHBondContact O-CB 3.43Å; P6-V9 PolarHBondContact O-N 3.27Å; P6-L10 PolarHBondContact O-N 3.06Å
7	R	55.9	Low	52.2	Low	219 Å²	219	116.2 Å²	116.2	83%	0.826	64%	0.638	S	S	*	*	H	α-helix	trans	-48.9	-32.8	179.6	-102.2	177.1	168	145	-3.9	113.6	A5 L10 L11	A5-R7 PolarHBondContact O-N 3Å; R7-L10 PolarHBondContact O-N 2.84Å; R7-L11 WeakPolarHBondContact O-CG 3.47Å; R7-L11 PolarHBondContact O-N 2.9Å; R7-L11 VanDerWaalsContact O-N 3.07Å
8	T	57.2	Low	52	Low	96 Å²	96	112.7 Å²	112.7	59%	0.589	63%	0.626	S	S	*	*	H	α-helix	trans	-66.7	-36.8	175.9	9.9	0	0	0	0	113.2	P6 L12	P6-T8 PolarHBondContact O-N 3.36Å; T8-L12 WeakPolarHBondContact O-CG 3.38Å; T8-L12 PolarHBondContact O-N 2.95Å; T8-L12 VanDerWaalsContact O-N 3.11Å
9	V	56.9	Low	51.3	Low	71 Å²	71	112.7 Å²	112.7	43%	0.43	62%	0.624	S	S	.	*	H	α-helix	trans	-70.5	-38.1	176	178.1	0	0	0	0	110.3	P6 L12 L13	P6-V9 HydrophobicContact CB-CG2 4.11Å; P6-V9 HydrophobicContact CG-CG2 3.96Å; P6-V9 WeakPolarHBondContact O-CB 3.43Å; P6-V9 PolarHBondContact O-N 3.27Å; V9-L12 PolarHBondContact O-N 3.43Å; V9-L13 HydrophobicContact CG1-CD1 4.04Å; V9-L13 WeakPolarHBondContact O-CG 3.32Å; V9-L13 PolarHBondContact O-N 3.48Å
10	L	55.2	Low	50.8	Low	103 Å²	103	111.6 Å²	111.6	54%	0.539	62%	0.621	S	S	.	*	H	α-helix	trans	-64.1	-41.7	175.3	-132.8	90.9	0	0	0	112	A5 P6 R7 L13 S14	A5-L10 HydrophobicContact CB-CD1 4.23Å; P6-L10 PolarHBondContact O-N 3.06Å; R7-L10 PolarHBondContact O-N 2.84Å; L10-L13 PolarHBondContact O-N 3.48Å; L10-S14 WeakPolarHBondContact O-CB 3.44Å; L10-S14 PolarHBondContact O-N 2.63Å; L10-S14 PolarHBondContact O-OG 3.11Å
11	L	60.5	Low	50.2	Low	119 Å²	119	113.8 Å²	113.8	62%	0.623	63%	0.626	S	S	*	*	H	α-helix	trans	-67.9	-38.6	178.2	-74.2	165.8	0	0	0	112.7	R7 S14 A15	R7-L11 WeakPolarHBondContact O-CG 3.47Å; R7-L11 PolarHBondContact O-N 2.9Å; R7-L11 VanDerWaalsContact O-N 3.07Å; L11-S14 PolarHBondContact O-N 3.33Å; L11-A15 WeakPolarHBondContact O-CB 3.35Å; L11-A15 PolarHBondContact O-N 3.07Å
12	L	54.9	Low	50.6	Low	126 Å²	126	106.4 Å²	106.4	66%	0.66	60%	0.595	S	S	*	*	H	α-helix	trans	-67.4	-39.2	175.7	-72.7	168.5	0	0	0	112.1	T8 V9 S14 A15 A16	T8-L12 WeakPolarHBondContact O-CG 3.38Å; T8-L12 PolarHBondContact O-N 2.95Å; T8-L12 VanDerWaalsContact O-N 3.11Å; V9-L12 PolarHBondContact O-N 3.43Å; L12-S14 VanDerWaalsContact C-N 3.34Å; L12-A15 PolarHBondContact O-N 3.42Å; L12-A16 WeakPolarHBondContact O-CB 3.36Å; L12-A16 PolarHBondContact O-N 2.91Å
13	L	52.9	Low	50.7	Low	102 Å²	102	108.1 Å²	108.1	53%	0.534	59%	0.589	S	S	.	*	H	α-helix	trans	-65.9	-37	172.7	-78.6	161.3	0	0	0	112	V9 L10 A16 L17	V9-L13 HydrophobicContact CG1-CD1 4.04Å; V9-L13 WeakPolarHBondContact O-CG 3.32Å; V9-L13 PolarHBondContact O-N 3.48Å; L10-L13 PolarHBondContact O-N 3.48Å; L13-A16 PolarHBondContact O-N 2.94Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 WeakPolarHBondContact O-CD1 3.48Å; L13-L17 WeakPolarHBondContact O-CG 3.39Å; L13-L17 PolarHBondContact O-N 3.46Å
14	S	52.3	Low	51	Low	64 Å²	64	105.8 Å²	105.8	45%	0.448	58%	0.584	S	S	.	*	H	α-helix	trans	-67.8	-40.1	176.7	-51.7	0	0	0	0	111.7	L10 L11 L12 A18	L10-S14 WeakPolarHBondContact O-CB 3.44Å; L10-S14 PolarHBondContact O-N 2.63Å; L10-S14 PolarHBondContact O-OG 3.11Å; L11-S14 PolarHBondContact O-N 3.33Å; L12-S14 VanDerWaalsContact C-N 3.34Å; S14-A18 WeakPolarHBondContact O-CB 3.42Å; S14-A18 PolarHBondContact O-N 2.97Å
15	A	54.6	Low	52.3	Low	50 Å²	50	98.1 Å²	98.1	41%	0.413	55%	0.55	S	S	.	.	H	α-helix	trans	-67.4	-39.8	174.2	0	0	0	0	0	111.7	L11 L12 A18 L19	L11-A15 WeakPolarHBondContact O-CB 3.35Å; L11-A15 PolarHBondContact O-N 3.07Å; L12-A15 PolarHBondContact O-N 3.42Å; A15-A18 PolarHBondContact O-N 2.96Å; A15-L19 WeakPolarHBondContact O-CB 3.31Å; A15-L19 WeakPolarHBondContact O-CD1 3.47Å; A15-L19 PolarHBondContact O-N 3.45Å
16	A	50.2	Low	54.1	Low	53 Å²	53	98.5 Å²	98.5	44%	0.438	55%	0.549	S	S	.	.	H	α-helix	trans	-65	-41.5	174.8	0	0	0	0	0	112.3	L12 L13 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.36Å; L12-A16 PolarHBondContact O-N 2.91Å; L13-A16 PolarHBondContact O-N 2.94Å; A16-L19 PolarHBondContact O-N 2.79Å; A16-T20 WeakPolarHBondContact O-CG2 3.45Å; A16-T20 PolarHBondContact O-N 2.97Å; A16-T20 PolarHBondContact O-OG1 3.14Å
17	L	46.9	Very low	56	Low	114 Å²	114	96.4 Å²	96.4	60%	0.597	53%	0.533	S	S	*	.	H	α-helix	trans	-65.1	-40.7	175.4	-80.6	160.2	0	0	0	112.4	L13 T20 E21	L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 WeakPolarHBondContact O-CD1 3.48Å; L13-L17 WeakPolarHBondContact O-CG 3.39Å; L13-L17 PolarHBondContact O-N 3.46Å; L17-T20 VanDerWaalsContact CA-OG1 3.31Å; L17-T20 WeakPolarHBondContact CA-OG1 3.39Å; L17-T20 PolarHBondContact O-N 3.34Å; L17-T20 PolarHBondContact O-OG1 3.42Å; L17-E21 PolarHBondContact O-N 2.98Å
18	A	48.7	Very low	58	Low	52 Å²	52	87.1 Å²	87.1	43%	0.43	50%	0.501	S	S	.	.	H	α-helix	trans	-64.8	-39.5	174.4	0	0	0	0	0	112	S14 A15 E21 T22	S14-A18 WeakPolarHBondContact O-CB 3.42Å; S14-A18 PolarHBondContact O-N 2.97Å; A15-A18 PolarHBondContact O-N 2.96Å; A18-E21 PolarHBondContact O-N 2.8Å; A18-T22 VanDerWaalsContact O-CG2 3.29Å; A18-T22 WeakPolarHBondContact O-CG2 3.29Å; A18-T22 PolarHBondContact O-N 3.42Å; A18-T22 VanDerWaalsContact O-N 3.14Å
19	L	38.8	Very low	60	Low	113 Å²	113	82.7 Å²	82.7	59%	0.592	47%	0.474	S	S	*	.	H	α-helix	trans	-65.9	-36.6	174.5	-95.9	132.7	0	0	0	112.3	A15 A16 T22	A15-L19 WeakPolarHBondContact O-CB 3.31Å; A15-L19 WeakPolarHBondContact O-CD1 3.47Å; A15-L19 PolarHBondContact O-N 3.45Å; A16-L19 PolarHBondContact O-N 2.79Å; L19-T22 PolarHBondContact O-N 3.22Å; L19-T22 PolarHBondContact O-OG1 3.31Å
20	T	40.6	Very low	62	Low	91 Å²	91	81.8 Å²	81.8	56%	0.558	46%	0.463	S	S	*	.	H	α-helix	trans	-70.5	-34.8	175.2	49.8	0	0	0	0	113.2	A16 L17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.45Å; A16-T20 PolarHBondContact O-N 2.97Å; A16-T20 PolarHBondContact O-OG1 3.14Å; L17-T20 VanDerWaalsContact CA-OG1 3.31Å; L17-T20 WeakPolarHBondContact CA-OG1 3.39Å; L17-T20 PolarHBondContact O-N 3.34Å; L17-T20 PolarHBondContact O-OG1 3.42Å; T20-T22 VanDerWaalsContact C-N 3.33Å
21	E	40	Very low	64.1	Low	157 Å²	157	77.8 Å²	77.8	73%	0.734	44%	0.441	S	S	*	.	H	α-helix	trans	-69.3	-29.9	173.9	-83.6	-176.4	159.6	0	0	112.6	L17 A18 W23 A24	L17-E21 PolarHBondContact O-N 2.98Å; A18-E21 PolarHBondContact O-N 2.8Å; E21-W23 VanDerWaalsContact C-N 3.3Å; E21-W23 PolarHBondContact O-N 3.01Å; E21-A24 PolarHBondContact O-N 3.17Å
22	T	42.8	Very low	65.9	Low	85 Å²	85	75.9 Å²	75.9	52%	0.521	43%	0.428	S	S	.	.	H	α-helix	trans	-71.7	-19.3	179.3	57.5	0	0	0	0	115	A18 L19 T20	A18-T22 VanDerWaalsContact O-CG2 3.29Å; A18-T22 WeakPolarHBondContact O-CG2 3.29Å; A18-T22 PolarHBondContact O-N 3.42Å; A18-T22 VanDerWaalsContact O-N 3.14Å; L19-T22 PolarHBondContact O-N 3.22Å; L19-T22 PolarHBondContact O-OG1 3.31Å; T20-T22 VanDerWaalsContact C-N 3.33Å
23	W	45.5	Very low	68	Low	213 Å²	213	70 Å²	70	81%	0.807	40%	0.397	S	S	*	.	H	α-helix	trans	-91.6	-16.7	175.2	-80.9	67.8	0	0	0	113.2	E21 G25	E21-W23 VanDerWaalsContact C-N 3.3Å; E21-W23 PolarHBondContact O-N 3.01Å; W23-G25 PolarHBondContact O-N 3.4Å
24	A	55.8	Low	70.2	Confident	87 Å²	87	66.6 Å²	66.6	72%	0.719	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	29.8	-178.6	0	0	0	0	0	114.2	E21	E21-A24 PolarHBondContact O-N 3.17Å
25	G	78.7	Confident	72.4	Confident	13 Å²	13	63.6 Å²	63.6	13%	0.134	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-165.6	6.9	-175.4	0	0	0	0	0	118.3	W23 G128 P129	W23-G25 PolarHBondContact O-N 3.4Å; G25-G128 CarbonylContact O-C 3.43Å; G25-P129 WeakPolarHBondContact O-CA 3.41Å
26	S	92.1	Very high	74.5	Confident	62 Å²	62	63.6 Å²	63.6	43%	0.434	35%	0.351	S	S	.	.			trans	-99.2	138.1	169.3	-58.6	0	0	0	0	109.5	V127	S26-V127 VanDerWaalsContact CA-O 3.24Å; S26-V127 WeakPolarHBondContact CA-O 3.18Å; S26-V127 WeakPolarHBondContact CB-O 3.25Å
27	H	96.3	Very high	76.8	Confident	34 Å²	34	61.9 Å²	61.9	16%	0.157	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	159.2	-179.5	-65.9	-79.5	0	0	0	110.5	D53 D126 V127 L192 L196	H27-D53 WeakPolarHBondContact CA-OD1 3.45Å; H27-D53 IonicContact CE1-OD2 3.4Å; H27-D53 IonicContact CG-OD1 2.66Å; H27-D53 IonicContact CG-OD2 3.49Å; H27-D53 IonicContact ND1-OD1 3.5Å; H27-D53 IonicContact ND1-OD2 2.76Å; H27-D53 PolarHBondContact ND1-OD2 3.16Å; H27-D126 CarbonylContact O-C 3.46Å; H27-D126 WeakPolarHBondContact O-CA 3.45Å; H27-V127 HydrophobicContact CB-CG2 4Å; H27-V127 PolarHBondContact N-O 3.18Å; H27-V127 PolarHBondContact O-N 2.81Å; H27-L192 HydrophobicContact CB-CD1 4.31Å; H27-L192 HydrophobicContact CB-CD2 4.4Å; H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 4.1Å; H27-L196 HydrophobicContact CB-CG 4.47Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.49Å
28	S	98.2	Very high	79.1	Confident	25 Å²	25	59.6 Å²	59.6	18%	0.175	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	150.4	177.3	65.4	0	0	0	0	111.9	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.53Å; S28-V52 WeakPolarHBondContact O-CA 3.05Å; S28-D53 PolarHBondContact N-OD1 2.8Å; S28-D53 PolarHBondContact O-N 3Å; S28-C125 CarbonylContact C-O 3.57Å; S28-C125 WeakPolarHBondContact CA-O 3.3Å; S28-D126 WeakPolarHBondContact CB-OD1 3.39Å
29	M	98.7	Very high	81.2	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.01	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	125.6	164.8	-174	167.4	69.2	0	0	108.3	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.12Å; M29-Y31 HydrophobicContact CG-CE2 4.07Å; M29-Y31 HydrophobicContact SD-CE2 4.07Å; M29-Y51 CarbonylContact C-O 3.58Å; M29-Y51 VanDerWaalsContact CA-O 3.3Å; M29-Y51 WeakPolarHBondContact CA-O 3.4Å; M29-V52 HydrophobicContact CG-CG2 4.4Å; M29-F57 HydrophobicContact CG-CE1 4.44Å; M29-F57 HydrophobicContact SD-CZ 4.29Å; M29-G124 CarbonylContact O-C 3.19Å; M29-G124 WeakPolarHBondContact O-CA 3.4Å; M29-C125 PolarHBondContact N-O 2.8Å; M29-C125 PolarHBondContact O-N 3.06Å; M29-C188 HydrophobicContact CE-CB 4.29Å; M29-C188 VanDerWaalsContact CE-O 3.31Å; M29-C188 WeakPolarHBondContact CE-O 3.48Å; M29-W191 HydrophobicContact CE-CB 4.12Å; M29-L192 HydrophobicContact CB-CB 4.08Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 4.13Å; M29-L192 HydrophobicContact CB-CG 4.3Å; M29-L192 HydrophobicContact SD-CB 4.46Å; M29-Y195 HydrophobicContact SD-CD2 3.68Å; M29-Y195 HydrophobicContact SD-CE2 3.47Å; M29-Y195 WeakPolarHBondContact SD-CE2 3.2Å
30	R	98.8	Very high	83.8	Confident	53 Å²	53	58.8 Å²	58.8	20%	0.2	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	133.7	-177.9	-60.1	-62.7	-175.6	82.5	8.8	110.7	F32 G50 Y51 M122 Y123 D126 H137	R30-F32 HydrophobicContact CB-CD2 4.5Å; R30-F32 HydrophobicContact CB-CE2 3.71Å; R30-F32 HydrophobicContact CB-CZ 4.08Å; R30-G50 CarbonylContact O-C 3.5Å; R30-G50 WeakPolarHBondContact O-CA 3.29Å; R30-Y51 PolarHBondContact N-O 2.81Å; R30-Y51 PolarHBondContact O-N 3.24Å; R30-M122 VanDerWaalsContact NH1-CE 3.35Å; R30-M122 PolarHBondContact NH1-SD 3.37Å; R30-Y123 WeakPolarHBondContact CA-O 3.01Å; R30-D126 IonicContact CZ-OD1 3.33Å; R30-D126 IonicContact NE-OD1 2.76Å; R30-D126 PolarHBondContact NE-OD1 3.3Å; R30-D126 IonicContact NH2-OD1 2.81Å; R30-D126 PolarHBondContact NH2-OD1 3.05Å; R30-D126 IonicContact NH2-OD2 3.56Å; R30-D126 PolarHBondContact NH2-OD2 2.75Å; R30-H137 PolarHBondContact NH2-CE1 2.87Å; R30-H137 PolarHBondContact NH2-NE2 2.97Å
31	Y	98.9	Very high	86.3	Confident	19 Å²	19	64.9 Å²	64.9	8%	0.075	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	140.6	167.6	-71.3	-91.5	0	0	0	109.4	M29 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.12Å; M29-Y31 HydrophobicContact CG-CE2 4.07Å; M29-Y31 HydrophobicContact SD-CE2 4.07Å; Y31-V49 CarbonylContact C-O 3.56Å; Y31-V49 WeakPolarHBondContact CA-O 3.24Å; Y31-F57 HydrophobicContact CE1-CZ 4.24Å; Y31-F57 AromaticContact CZ-CZ 3.82Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.48Å; Y31-V58 HydrophobicContact CE1-CG2 3.93Å; Y31-M122 WeakPolarHBondContact O-CA 3.28Å; Y31-Y123 HydrophobicContact CD2-CD2 4.35Å; Y31-Y123 AromaticContact CD2-CE2 3.65Å; Y31-Y123 HydrophobicContact CD2-CE2 3.65Å; Y31-Y123 HydrophobicContact CG-CE1 4.49Å; Y31-Y123 AromaticContact CG-CE2 3.84Å; Y31-Y123 HydrophobicContact CG-CE2 3.84Å; Y31-Y123 AromaticContact CG-CZ 3.74Å; Y31-Y123 PolarHBondContact N-O 3.36Å; Y31-Y123 PolarHBondContact O-N 3.2Å; Y31-Y123 VanDerWaalsContact O-N 3.11Å
32	F	98.9	Very high	88.7	Confident	79 Å²	79	60.2 Å²	60.2	35%	0.346	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	114.1	175.8	-58.6	-95.9	0	0	0	108.7	R30 S48 V49 Y51 S121 M122	R30-F32 HydrophobicContact CB-CD2 4.5Å; R30-F32 HydrophobicContact CB-CE2 3.71Å; R30-F32 HydrophobicContact CB-CZ 4.08Å; F32-S48 WeakPolarHBondContact O-CA 3.18Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.27Å; F32-V49 HydrophobicContact CG-CG2 4.48Å; F32-V49 PolarHBondContact N-O 3.38Å; F32-V49 PolarHBondContact O-N 3.16Å; F32-Y51 HydrophobicContact CD2-CD2 4Å; F32-Y51 HydrophobicContact CD2-CE2 4.39Å; F32-Y51 AromaticContact CE2-CD2 3.95Å; F32-Y51 HydrophobicContact CE2-CD2 3.95Å; F32-S121 WeakPolarHBondContact CA-O 3.36Å; F32-M122 HydrophobicContact CD1-CB 3.99Å; F32-M122 HydrophobicContact CD1-CG 3.76Å; F32-M122 HydrophobicContact CE1-CB 4.06Å; F32-M122 HydrophobicContact CE1-CG 3.41Å; F32-M122 VanDerWaalsContact CE1-CG 3.41Å; F32-M122 HydrophobicContact CZ-CG 3.96Å
33	D	98.9	Very high	91.2	Very high	2 Å²	2	61 Å²	61	1%	0.011	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	139.8	174.1	-70.4	-17.6	0	0	0	109.4	F46 I47 S48 Y98 Q120 S121	D33-F46 HydrophobicContact CB-CE2 3.82Å; D33-F46 HydrophobicContact CB-CZ 4Å; D33-I47 CarbonylContact C-O 3.56Å; D33-I47 WeakPolarHBondContact CA-O 3.41Å; D33-S48 WeakPolarHBondContact OD1-CB 3.34Å; D33-S48 PolarHBondContact OD1-OG 3.27Å; D33-Y98 HydrophobicContact CB-CE1 4Å; D33-Y98 HydrophobicContact CB-CE2 4.21Å; D33-Y98 WeakPolarHBondContact CB-OH 3.39Å; D33-Y98 PolarHBondContact OD2-OH 2.92Å; D33-Q120 CarbonylContact O-C 3.59Å; D33-Q120 VanDerWaalsContact O-CA 3.25Å; D33-Q120 WeakPolarHBondContact O-CA 3.35Å; D33-S121 PolarHBondContact N-O 2.9Å; D33-S121 PolarHBondContact O-N 3.49Å
34	T	98.9	Very high	93.7	Very high	30 Å²	30	52 Å²	52	18%	0.184	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	121.2	175.6	-62.9	0	0	0	0	109.5	M36 F46 I47 T118 Q120	T34-M36 HydrophobicContact CG2-CE 4.39Å; T34-M36 HydrophobicContact CG2-CG 4Å; T34-M36 HydrophobicContact CG2-SD 4.34Å; T34-F46 CarbonylContact O-C 3.57Å; T34-F46 WeakPolarHBondContact O-CA 3.33Å; T34-I47 PolarHBondContact N-O 3.03Å; T34-I47 PolarHBondContact O-N 3.32Å; T34-T118 HydrophobicContact CG2-CG2 4.01Å; T34-Q120 HydrophobicContact CG2-CG 4.09Å
35	A	98.8	Very high	95.7	Very high	2 Å²	2	50.9 Å²	50.9	2%	0.017	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.7	172.2	0	0	0	0	0	110.6	R45 F46 Y98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.58Å; A35-R45 VanDerWaalsContact CA-O 3.27Å; A35-R45 WeakPolarHBondContact CA-O 3.35Å; A35-F46 HydrophobicContact CB-CD2 4.25Å; A35-Y98 HydrophobicContact CB-CD1 3.68Å; A35-Y98 HydrophobicContact CB-CG 4Å; A35-L102 HydrophobicContact CB-CD1 3.81Å; A35-L102 HydrophobicContact CB-CG 4.5Å; A35-T118 CarbonylContact O-C 3.56Å; A35-T118 WeakPolarHBondContact O-CA 3.17Å; A35-L119 PolarHBondContact N-O 2.8Å; A35-L119 PolarHBondContact O-N 3.25Å
36	M	98.6	Very high	96.7	Very high	49 Å²	49	50.3 Å²	50.3	24%	0.241	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	115.8	-177.8	-62.8	165	-74	0	0	110	T34 P44 R45 I47 T118	T34-M36 HydrophobicContact CG2-CE 4.39Å; T34-M36 HydrophobicContact CG2-CG 4Å; T34-M36 HydrophobicContact CG2-SD 4.34Å; M36-P44 CarbonylContact O-C 3.52Å; M36-P44 WeakPolarHBondContact O-CA 3.3Å; M36-P44 WeakPolarHBondContact O-CB 3.36Å; M36-R45 HydrophobicContact CE-CB 4.32Å; M36-R45 HydrophobicContact CE-CG 4.29Å; M36-R45 PolarHBondContact N-O 2.78Å; M36-R45 PolarHBondContact O-N 3.27Å; M36-I47 HydrophobicContact CE-CD1 4Å; M36-T118 HydrophobicContact CG-CG2 3.97Å
37	S	97.9	Very high	97	Very high	18 Å²	18	48.7 Å²	48.7	13%	0.126	26%	0.264	C	S	.	.			trans	-72	145.5	173.9	78.1	0	0	0	0	111.1	S116 H117	S37-S116 PolarHBondContact O-OG 2.82Å; S37-H117 PolarHBondContact N-O 3.32Å; S37-H117 PolarHBondContact OG-N 2.61Å; S37-H117 PolarHBondContact OG-O 3.07Å
38	R	95.9	Very high	97.1	Very high	66 Å²	66	47.2 Å²	47.2	25%	0.249	26%	0.257	C	S	.	.			trans	-139.4	73.8	-174.3	-57.4	167.8	177.5	-173.9	-13.8	110.9	G40 R41 D63	R38-G40 PolarHBondContact O-N 3.38Å; R38-R41 HydrophobicContact CB-CB 4.09Å; R38-R41 PolarHBondContact O-N 2.92Å; R38-D63 IonicContact CZ-OD2 3.5Å; R38-D63 IonicContact NH1-OD1 3.26Å; R38-D63 IonicContact NH1-OD2 3.39Å; R38-D63 PolarHBondContact NH1-OD2 3.19Å; R38-D63 IonicContact NH2-OD2 2.67Å; R38-D63 PolarHBondContact NH2-OD2 2.83Å
39	P	92.4	Very high	97.2	Very high	57 Å²	57	47 Å²	47	37%	0.37	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	129.6	-177.6	-26.6	34.6	0	0	0	112	R41 E113 G115	P39-R41 VanDerWaalsContact C-N 3.26Å; P39-R41 PolarHBondContact O-N 2.86Å; P39-E113 WeakPolarHBondContact CB-O 3.38Å; P39-E113 WeakPolarHBondContact CG-O 3.44Å; P39-G115 WeakPolarHBondContact CG-O 3.45Å
40	G	92.5	Very high	97.2	Very high	90 Å²	90	46.9 Å²	46.9	93%	0.928	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	3.2	-178.6	0	0	0	0	0	116	R38	R38-G40 PolarHBondContact O-N 3.38Å
41	R	93.1	Very high	97.2	Very high	220 Å²	220	47.6 Å²	47.6	83%	0.83	26%	0.257	S	S	*	.	S	Bend	trans	-125.8	23	180	-58	-174.4	-179.1	-179.8	0.8	113.7	R38 P39	R38-R41 HydrophobicContact CB-CB 4.09Å; R38-R41 PolarHBondContact O-N 2.92Å; P39-R41 VanDerWaalsContact C-N 3.26Å; P39-R41 PolarHBondContact O-N 2.86Å
42	G	92.1	Very high	97.2	Very high	59 Å²	59	46.7 Å²	46.7	61%	0.608	25%	0.254	S	S	*	.	S	Bend	trans	99.3	-158.5	178.6	0	0	0	0	0	113.6
43	E	95.3	Very high	97	Very high	102 Å²	102	44.8 Å²	44.8	48%	0.477	25%	0.247	S	C	.	.	S	Bend	trans	-73	160.7	179.9	-65.4	-58.9	164	0	0	112.3	R45 R99	E43-R45 PolarHBondContact O-N 3.48Å; E43-R99 VanDerWaalsContact CD-NE 3.3Å; E43-R99 IonicContact OE1-CZ 3.23Å; E43-R99 VanDerWaalsContact OE1-CZ 3.29Å; E43-R99 IonicContact OE1-NE 3.97Å; E43-R99 IonicContact OE1-NH2 3.41Å; E43-R99 PolarHBondContact OE1-NH2 3.46Å; E43-R99 WeakPolarHBondContact OE2-CD 3.31Å; E43-R99 IonicContact OE2-CZ 3.29Å; E43-R99 IonicContact OE2-NE 3.27Å; E43-R99 PolarHBondContact OE2-NE 2.8Å; E43-R99 IonicContact OE2-NH2 2.65Å; E43-R99 PolarHBondContact OE2-NH2 2.84Å
44	P	97.3	Very high	96.8	Very high	22 Å²	22	52.2 Å²	52.2	14%	0.143	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-56.8	137	172.4	-23.4	34.1	0	0	0	111.6	M36 R99 L102	M36-P44 CarbonylContact O-C 3.52Å; M36-P44 WeakPolarHBondContact O-CA 3.3Å; M36-P44 WeakPolarHBondContact O-CB 3.36Å; P44-R99 HydrophobicContact CG-CB 4.4Å; P44-R99 HydrophobicContact CG-CG 4.23Å; P44-L102 HydrophobicContact CB-CD1 3.66Å; P44-L102 HydrophobicContact CG-CD1 3.84Å
45	R	98.4	Very high	96.8	Very high	64 Å²	64	53.3 Å²	53.3	24%	0.242	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	134.3	168.8	175.8	-175.7	-170.3	175.3	10.8	109.3	A35 M36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.58Å; A35-R45 VanDerWaalsContact CA-O 3.27Å; A35-R45 WeakPolarHBondContact CA-O 3.35Å; M36-R45 HydrophobicContact CE-CB 4.32Å; M36-R45 HydrophobicContact CE-CG 4.29Å; M36-R45 PolarHBondContact N-O 2.78Å; M36-R45 PolarHBondContact O-N 3.27Å; E43-R45 PolarHBondContact O-N 3.48Å; R45-I47 HydrophobicContact CG-CG1 4.12Å; R45-D61 IonicContact CZ-OD1 3.97Å; R45-D61 IonicContact CZ-OD2 2.92Å; R45-D61 IonicContact NE-OD1 3.58Å; R45-D61 PolarHBondContact NE-OD1 3.22Å; R45-D61 IonicContact NE-OD2 3.58Å; R45-D61 IonicContact NH2-OD1 3.42Å; R45-D61 PolarHBondContact NH2-OD1 2.89Å; R45-D61 IonicContact NH2-OD2 2.63Å; R45-D61 PolarHBondContact NH2-OD2 2.94Å; R45-S62 WeakPolarHBondContact CA-OG 3.45Å; R45-D63 VanDerWaalsContact CD-OD2 3.27Å; R45-D63 WeakPolarHBondContact CD-OD2 3.33Å; R45-D63 HydrophobicContact CG-CB 4.35Å; R45-D63 IonicContact NE-OD2 2.74Å
46	F	98.8	Very high	96.7	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.009	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	132.3	172.4	-179.5	-99.2	0	0	0	110.1	D33 T34 A35 F60 S62 N94 T95 Y98	D33-F46 HydrophobicContact CB-CE2 3.82Å; D33-F46 HydrophobicContact CB-CZ 4Å; T34-F46 CarbonylContact O-C 3.57Å; T34-F46 WeakPolarHBondContact O-CA 3.33Å; A35-F46 HydrophobicContact CB-CD2 4.25Å; F46-F60 AromaticContact CD1-CD1 3.79Å; F46-F60 HydrophobicContact CD1-CD1 3.79Å; F46-F60 AromaticContact CD1-CE1 3.92Å; F46-F60 HydrophobicContact CD1-CE1 3.92Å; F46-F60 HydrophobicContact CE1-CD1 4.14Å; F46-S62 PolarHBondContact N-OG 3.35Å; F46-S62 PolarHBondContact O-N 2.77Å; F46-S62 PolarHBondContact O-OG 3.08Å; F46-N94 HydrophobicContact CE1-CB 4.02Å; F46-N94 HydrophobicContact CE2-CB 4.18Å; F46-N94 HydrophobicContact CZ-CB 3.62Å; F46-T95 HydrophobicContact CB-CG2 3.94Å; F46-T95 VanDerWaalsContact CD1-OG1 3.29Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.26Å; F46-Y98 HydrophobicContact CD2-CD1 4.49Å; F46-Y98 HydrophobicContact CD2-CD2 4.13Å; F46-Y98 AromaticContact CD2-CG 4Å; F46-Y98 HydrophobicContact CD2-CG 4Å; F46-Y98 HydrophobicContact CE2-CD1 4.25Å; F46-Y98 AromaticContact CE2-CD2 3.56Å; F46-Y98 HydrophobicContact CE2-CD2 3.56Å; F46-Y98 HydrophobicContact CE2-CE1 4.44Å; F46-Y98 AromaticContact CE2-CE2 3.74Å; F46-Y98 HydrophobicContact CE2-CE2 3.74Å; F46-Y98 AromaticContact CE2-CG 3.82Å; F46-Y98 HydrophobicContact CE2-CG 3.82Å; F46-Y98 HydrophobicContact CZ-CD2 4.45Å; F46-Y98 HydrophobicContact CZ-CE2 4.4Å
47	I	98.9	Very high	96.7	Very high	27 Å²	27	53.5 Å²	53.5	14%	0.138	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	133.8	173.3	-59.1	173.1	0	0	0	106.9	D33 T34 M36 R45 V49 F60	D33-I47 CarbonylContact C-O 3.56Å; D33-I47 WeakPolarHBondContact CA-O 3.41Å; T34-I47 PolarHBondContact N-O 3.03Å; T34-I47 PolarHBondContact O-N 3.32Å; M36-I47 HydrophobicContact CE-CD1 4Å; R45-I47 HydrophobicContact CG-CG1 4.12Å; I47-V49 HydrophobicContact CG2-CG1 4.22Å; I47-F60 WeakPolarHBondContact CA-O 3.48Å
48	S	98.9	Very high	96.8	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.021	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	139.4	166.6	-167.6	0	0	0	0	109.1	F32 D33 R59 F60	F32-S48 WeakPolarHBondContact O-CA 3.18Å; D33-S48 WeakPolarHBondContact OD1-CB 3.34Å; D33-S48 PolarHBondContact OD1-OG 3.27Å; S48-R59 CarbonylContact O-C 3.56Å; S48-R59 WeakPolarHBondContact O-CA 3.5Å; S48-F60 PolarHBondContact N-O 3.41Å; S48-F60 VanDerWaalsContact N-O 3.11Å; S48-F60 PolarHBondContact O-N 3.25Å
49	V	98.9	Very high	96.9	Very high	20 Å²	20	52.4 Å²	52.4	12%	0.121	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	137.2	172.4	-65.1	0	0	0	0	109.6	Y31 F32 I47 Y51 R59	Y31-V49 CarbonylContact C-O 3.56Å; Y31-V49 WeakPolarHBondContact CA-O 3.24Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.27Å; F32-V49 HydrophobicContact CG-CG2 4.48Å; F32-V49 PolarHBondContact N-O 3.38Å; F32-V49 PolarHBondContact O-N 3.16Å; I47-V49 HydrophobicContact CG2-CG1 4.22Å; V49-Y51 HydrophobicContact CB-CE2 4.28Å; V49-Y51 HydrophobicContact CG2-CD2 4.46Å; V49-Y51 HydrophobicContact CG2-CE2 3.92Å; V49-R59 HydrophobicContact CG1-CB 4.33Å; V49-R59 HydrophobicContact CG1-CG 4.06Å
50	G	98.8	Very high	97.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	139.5	177.4	0	0	0	0	0	111.3	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.5Å; R30-G50 WeakPolarHBondContact O-CA 3.29Å; G50-Q56 CarbonylContact O-C 3.59Å; G50-Q56 WeakPolarHBondContact O-CA 3.35Å; G50-Q56 WeakPolarHBondContact O-CG 3.34Å; G50-F57 WeakPolarHBondContact O-CD1 3.43Å; G50-F57 PolarHBondContact O-N 2.92Å; G50-V58 PolarHBondContact N-O 3.46Å; G50-V58 VanDerWaalsContact N-O 3.12Å; G50-V58 PolarHBondContact O-N 2.94Å
51	Y	98.8	Very high	97.5	Very high	69 Å²	69	46.5 Å²	46.5	27%	0.271	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	138.3	176	-76.8	-101.1	0	0	0	110.3	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.58Å; M29-Y51 VanDerWaalsContact CA-O 3.3Å; M29-Y51 WeakPolarHBondContact CA-O 3.4Å; R30-Y51 PolarHBondContact N-O 2.81Å; R30-Y51 PolarHBondContact O-N 3.24Å; F32-Y51 HydrophobicContact CD2-CD2 4Å; F32-Y51 HydrophobicContact CD2-CE2 4.39Å; F32-Y51 AromaticContact CE2-CD2 3.95Å; F32-Y51 HydrophobicContact CE2-CD2 3.95Å; V49-Y51 HydrophobicContact CB-CE2 4.28Å; V49-Y51 HydrophobicContact CG2-CD2 4.46Å; V49-Y51 HydrophobicContact CG2-CE2 3.92Å; Y51-T55 WeakPolarHBondContact CA-O 3Å; Y51-Q56 HydrophobicContact CD1-CB 4.1Å; Y51-Q56 HydrophobicContact CD2-CG 4.43Å; Y51-Q56 HydrophobicContact CE1-CB 3.61Å; Y51-Q56 HydrophobicContact CE1-CG 4.37Å; Y51-Q56 HydrophobicContact CE2-CB 4.11Å; Y51-Q56 HydrophobicContact CE2-CG 3.95Å
52	V	98.4	Very high	97.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	120.3	157.2	174.5	0	0	0	0	105.9	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.53Å; S28-V52 WeakPolarHBondContact O-CA 3.05Å; M29-V52 HydrophobicContact CG-CG2 4.4Å; V52-D54 PolarHBondContact O-N 3.41Å; V52-T55 PolarHBondContact N-O 2.84Å; V52-T55 WeakPolarHBondContact O-CB 3.39Å; V52-T55 PolarHBondContact O-N 2.78Å; V52-F57 HydrophobicContact CG2-CD1 3.88Å; V52-F57 HydrophobicContact CG2-CE1 3.89Å; V52-F57 HydrophobicContact CG2-CG 4.47Å; V52-F57 HydrophobicContact CG2-CZ 4.49Å; V52-W75 HydrophobicContact CB-CH2 4.27Å; V52-W75 HydrophobicContact CB-CZ2 4.33Å; V52-W75 HydrophobicContact CG2-CH2 3.84Å; V52-W75 HydrophobicContact CG2-CZ2 4.4Å; V52-L192 HydrophobicContact CG1-CD1 3.68Å; V52-L192 HydrophobicContact CG2-CD1 4.31Å; V52-Y195 HydrophobicContact CG2-CD2 3.8Å; V52-Y195 HydrophobicContact CG2-CG 4.31Å; V52-L196 HydrophobicContact CG1-CD2 3.98Å; V52-L203 HydrophobicContact CB-CD1 4.48Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å
53	D	96	Very high	98.1	Very high	38 Å²	38	38.5 Å²	38.5	20%	0.203	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	-126.8	-164.9	-55.1	-39.1	0	0	0	110.1	H27 S28 T55	H27-D53 WeakPolarHBondContact CA-OD1 3.45Å; H27-D53 IonicContact CE1-OD2 3.4Å; H27-D53 IonicContact CG-OD1 2.66Å; H27-D53 IonicContact CG-OD2 3.49Å; H27-D53 IonicContact ND1-OD1 3.5Å; H27-D53 IonicContact ND1-OD2 2.76Å; H27-D53 PolarHBondContact ND1-OD2 3.16Å; S28-D53 PolarHBondContact N-OD1 2.8Å; S28-D53 PolarHBondContact O-N 3Å; D53-T55 VanDerWaalsContact C-N 3.33Å
54	D	95.1	Very high	98.2	Very high	158 Å²	158	35.4 Å²	35.4	85%	0.845	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	9	177.8	-63.4	-51.6	0	0	0	113.4	V52	V52-D54 PolarHBondContact O-N 3.41Å
55	T	97.1	Very high	98.2	Very high	54 Å²	54	40 Å²	40	33%	0.331	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	113.3	-177.3	-58.9	0	0	0	0	111.6	Y51 V52 D53 F57 A73 L203	Y51-T55 WeakPolarHBondContact CA-O 3Å; V52-T55 PolarHBondContact N-O 2.84Å; V52-T55 WeakPolarHBondContact O-CB 3.39Å; V52-T55 PolarHBondContact O-N 2.78Å; D53-T55 VanDerWaalsContact C-N 3.33Å; T55-F57 PolarHBondContact O-N 3.32Å; T55-A73 HydrophobicContact CG2-CB 4.37Å; T55-L203 HydrophobicContact CG2-CD2 4.24Å
56	Q	98.4	Very high	98.1	Very high	55 Å²	55	40.7 Å²	40.7	26%	0.257	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	124.6	171.6	-167.2	-177	-12.2	0	0	110.1	G50 Y51 V58 R72	G50-Q56 CarbonylContact O-C 3.59Å; G50-Q56 WeakPolarHBondContact O-CA 3.35Å; G50-Q56 WeakPolarHBondContact O-CG 3.34Å; Y51-Q56 HydrophobicContact CD1-CB 4.1Å; Y51-Q56 HydrophobicContact CD2-CG 4.43Å; Y51-Q56 HydrophobicContact CE1-CB 3.61Å; Y51-Q56 HydrophobicContact CE1-CG 4.37Å; Y51-Q56 HydrophobicContact CE2-CB 4.11Å; Y51-Q56 HydrophobicContact CE2-CG 3.95Å; Q56-V58 PolarHBondContact NE2-O 3.01Å; Q56-R72 HydrophobicContact CG-CB 4.2Å; Q56-R72 HydrophobicContact CG-CG 4.42Å; Q56-R72 CarbonylContact O-C 3.58Å
57	F	98.5	Very high	98.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	-22.7	-177.5	76.6	-81.7	0	0	0	114.3	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.44Å; M29-F57 HydrophobicContact SD-CZ 4.29Å; Y31-F57 HydrophobicContact CE1-CZ 4.24Å; Y31-F57 AromaticContact CZ-CZ 3.82Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.48Å; G50-F57 WeakPolarHBondContact O-CD1 3.43Å; G50-F57 PolarHBondContact O-N 2.92Å; V52-F57 HydrophobicContact CG2-CD1 3.88Å; V52-F57 HydrophobicContact CG2-CE1 3.89Å; V52-F57 HydrophobicContact CG2-CG 4.47Å; V52-F57 HydrophobicContact CG2-CZ 4.49Å; T55-F57 PolarHBondContact O-N 3.32Å; F57-R72 PolarHBondContact O-N 2.77Å; F57-A73 HydrophobicContact CB-CB 4.15Å; F57-W75 HydrophobicContact CB-CH2 3.16Å; F57-W75 HydrophobicContact CB-CZ2 3.32Å; F57-W75 HydrophobicContact CB-CZ3 4.04Å; F57-W75 HydrophobicContact CD1-CH2 4.14Å; F57-W75 AromaticContact CD2-CH2 3.67Å; F57-W75 HydrophobicContact CD2-CH2 3.67Å; F57-W75 HydrophobicContact CD2-CZ3 4Å; F57-W75 AromaticContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CH2 3.42Å; F57-W75 VanDerWaalsContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CZ2 4.05Å; F57-W75 HydrophobicContact CG-CZ3 4.2Å; F57-I76 HydrophobicContact CD2-CB 4.4Å; F57-I76 HydrophobicContact CD2-CD1 3.91Å; F57-I76 HydrophobicContact CD2-CG1 3.99Å; F57-I76 HydrophobicContact CE2-CD1 4.21Å; F57-I76 VanDerWaalsContact O-CG2 3.26Å; F57-I76 WeakPolarHBondContact O-CG2 3.33Å; F57-Y195 HydrophobicContact CD2-CE2 4.48Å; F57-Y195 HydrophobicContact CE2-CD2 4.09Å; F57-Y195 HydrophobicContact CE2-CE1 4.46Å; F57-Y195 AromaticContact CE2-CE2 3.55Å; F57-Y195 HydrophobicContact CE2-CE2 3.55Å; F57-Y195 AromaticContact CE2-CZ 3.77Å; F57-Y195 HydrophobicContact CZ-CD2 4.12Å; F57-Y195 AromaticContact CZ-CE2 3.63Å; F57-Y195 HydrophobicContact CZ-CE2 3.63Å
58	V	98.8	Very high	98.1	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	158.8	176.2	-71	0	0	0	0	112.9	Y31 G50 Q56 E69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.93Å; G50-V58 PolarHBondContact N-O 3.46Å; G50-V58 VanDerWaalsContact N-O 3.12Å; G50-V58 PolarHBondContact O-N 2.94Å; Q56-V58 PolarHBondContact NE2-O 3.01Å; V58-E69 HydrophobicContact CB-CG 4.28Å; V58-E69 WeakPolarHBondContact CB-OE1 3.39Å; V58-E69 HydrophobicContact CG1-CG 4.39Å; V58-E70 WeakPolarHBondContact CA-O 3.21Å; V58-I76 HydrophobicContact CG1-CG1 4.21Å; V58-W84 HydrophobicContact CG1-CH2 4.07Å; V58-W84 HydrophobicContact CG1-CZ3 3.94Å
59	R	98.8	Very high	98	Very high	59 Å²	59	48.5 Å²	48.5	22%	0.223	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	140.3	174.1	179.2	176.1	174.7	83.3	5.7	111.1	S48 V49 D61 E70 R72	S48-R59 CarbonylContact O-C 3.56Å; S48-R59 WeakPolarHBondContact O-CA 3.5Å; V49-R59 HydrophobicContact CG1-CB 4.33Å; V49-R59 HydrophobicContact CG1-CG 4.06Å; R59-D61 IonicContact CZ-OD2 2.78Å; R59-D61 IonicContact NH2-OD2 3.77Å; R59-D61 PolarHBondContact NH2-OD2 2.84Å; R59-E70 PolarHBondContact N-O 3.24Å; R59-E70 PolarHBondContact O-N 3.04Å; R59-R72 HydrophobicContact CB-CG 3.9Å
60	F	98.9	Very high	98	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.009	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	146.1	162.4	-179.5	-90.6	0	0	0	111.1	F46 I47 S48 P67 R68 E69 S91 K92	F46-F60 AromaticContact CD1-CD1 3.79Å; F46-F60 HydrophobicContact CD1-CD1 3.79Å; F46-F60 AromaticContact CD1-CE1 3.92Å; F46-F60 HydrophobicContact CD1-CE1 3.92Å; F46-F60 HydrophobicContact CE1-CD1 4.14Å; I47-F60 WeakPolarHBondContact CA-O 3.48Å; S48-F60 PolarHBondContact N-O 3.41Å; S48-F60 VanDerWaalsContact N-O 3.11Å; S48-F60 PolarHBondContact O-N 3.25Å; F60-P67 HydrophobicContact CE2-CB 3.91Å; F60-P67 HydrophobicContact CZ-CB 3.75Å; F60-R68 VanDerWaalsContact CD2-C 3.48Å; F60-R68 WeakPolarHBondContact CD2-O 3.08Å; F60-E69 WeakPolarHBondContact CB-OE2 3.5Å; F60-S91 VanDerWaalsContact CG-CB 3.4Å; F60-K92 HydrophobicContact CE2-CG 4.36Å; F60-K92 HydrophobicContact CZ-CG 4.2Å
61	D	98.8	Very high	98	Very high	22 Å²	22	52.7 Å²	52.7	12%	0.118	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	116.8	175.5	-160.7	-31.1	0	0	0	110.8	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.97Å; R45-D61 IonicContact CZ-OD2 2.92Å; R45-D61 IonicContact NE-OD1 3.58Å; R45-D61 PolarHBondContact NE-OD1 3.22Å; R45-D61 IonicContact NE-OD2 3.58Å; R45-D61 IonicContact NH2-OD1 3.42Å; R45-D61 PolarHBondContact NH2-OD1 2.89Å; R45-D61 IonicContact NH2-OD2 2.63Å; R45-D61 PolarHBondContact NH2-OD2 2.94Å; R59-D61 IonicContact CZ-OD2 2.78Å; R59-D61 IonicContact NH2-OD2 3.77Å; R59-D61 PolarHBondContact NH2-OD2 2.84Å; D61-D63 PolarHBondContact O-N 3.37Å; D61-D63 PolarHBondContact OD1-N 3.14Å; D61-A64 HydrophobicContact CB-CB 4.43Å; D61-A64 WeakPolarHBondContact O-CB 3.3Å; D61-A64 PolarHBondContact O-N 3.12Å
62	S	98.6	Very high	98	Very high	28 Å²	28	55.1 Å²	55.1	20%	0.196	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.8	-178.5	70.5	0	0	0	0	113.5	R45 F46 A64	R45-S62 WeakPolarHBondContact CA-OG 3.45Å; F46-S62 PolarHBondContact N-OG 3.35Å; F46-S62 PolarHBondContact O-N 2.77Å; F46-S62 PolarHBondContact O-OG 3.08Å; S62-A64 VanDerWaalsContact C-N 3.33Å
63	D	97.8	Very high	97.9	Very high	83 Å²	83	55.4 Å²	55.4	44%	0.444	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-4.1	179	-79.2	10.1	0	0	0	112.6	R38 R45 D61	R38-D63 IonicContact CZ-OD2 3.5Å; R38-D63 IonicContact NH1-OD1 3.26Å; R38-D63 IonicContact NH1-OD2 3.39Å; R38-D63 PolarHBondContact NH1-OD2 3.19Å; R38-D63 IonicContact NH2-OD2 2.67Å; R38-D63 PolarHBondContact NH2-OD2 2.83Å; R45-D63 VanDerWaalsContact CD-OD2 3.27Å; R45-D63 WeakPolarHBondContact CD-OD2 3.33Å; R45-D63 HydrophobicContact CG-CB 4.35Å; R45-D63 IonicContact NE-OD2 2.74Å; D61-D63 PolarHBondContact O-N 3.37Å; D61-D63 PolarHBondContact OD1-N 3.14Å
64	A	97.7	Very high	97.9	Very high	37 Å²	37	58.7 Å²	58.7	31%	0.306	33%	0.329	S	S	.	.	S	Bend	trans	-63	150	176.5	0	0	0	0	0	111	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.43Å; D61-A64 WeakPolarHBondContact O-CB 3.3Å; D61-A64 PolarHBondContact O-N 3.12Å; S62-A64 VanDerWaalsContact C-N 3.33Å; A64-S66 PolarHBondContact O-N 3.49Å; A64-P67 WeakPolarHBondContact O-CD 3.37Å; A64-P67 VanDerWaalsContact O-CG 3.27Å; A64-P67 WeakPolarHBondContact O-CG 3.42Å
65	A	97.4	Very high	97.9	Very high	117 Å²	117	51.9 Å²	51.9	97%	0.967	29%	0.292	S	S	*	.	S	Bend	trans	-60.3	-29.8	177.9	0	0	0	0	0	112.7
66	S	97.3	Very high	98	Very high	80 Å²	80	49.3 Å²	49.3	56%	0.559	28%	0.276	S	S	*	.	S	Bend	trans	-133.4	88	171.2	-169.8	0	0	0	0	108.6	A64 R68	A64-S66 PolarHBondContact O-N 3.49Å; S66-R68 PolarHBondContact O-N 2.78Å; S66-R68 VanDerWaalsContact O-N 3.14Å
67	P	98	Very high	97.8	Very high	41 Å²	41	52.9 Å²	52.9	27%	0.266	29%	0.292	S	S	.	.			trans	-64	114.5	-176.2	-23.8	35.2	0	0	0	112	F60 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.91Å; F60-P67 HydrophobicContact CZ-CB 3.75Å; A64-P67 WeakPolarHBondContact O-CD 3.37Å; A64-P67 VanDerWaalsContact O-CG 3.27Å; A64-P67 WeakPolarHBondContact O-CG 3.42Å; P67-K92 WeakPolarHBondContact O-CE 3.32Å
68	R	98.4	Very high	97.7	Very high	143 Å²	143	58.4 Å²	58.4	54%	0.54	32%	0.319	S	S	.	.			trans	-149.9	160.9	177.4	63.2	-177.3	169.3	179.1	-2.1	110.7	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.48Å; F60-R68 WeakPolarHBondContact CD2-O 3.08Å; S66-R68 PolarHBondContact O-N 2.78Å; S66-R68 VanDerWaalsContact O-N 3.14Å; R68-E70 HydrophobicContact CG-CG 4.06Å; R68-T88 HydrophobicContact CB-CG2 4.07Å
69	E	98.6	Very high	97.7	Very high	11 Å²	11	59 Å²	59	5%	0.051	32%	0.321	C	S	.	.			trans	-69.6	129.8	169.2	-159.1	69.4	-146.3	0	0	108.6	V58 F60 W84 N87 T88 S91	V58-E69 HydrophobicContact CB-CG 4.28Å; V58-E69 WeakPolarHBondContact CB-OE1 3.39Å; V58-E69 HydrophobicContact CG1-CG 4.39Å; F60-E69 WeakPolarHBondContact CB-OE2 3.5Å; E69-W84 HydrophobicContact CB-CE3 4.12Å; E69-W84 HydrophobicContact CB-CZ3 4.42Å; E69-W84 HydrophobicContact CG-CE3 4.24Å; E69-W84 HydrophobicContact CG-CZ3 4.11Å; E69-N87 HydrophobicContact CB-CB 4.19Å; E69-N87 HydrophobicContact CG-CB 3.99Å; E69-T88 PolarHBondContact N-OG1 2.88Å; E69-S91 PolarHBondContact OE2-OG 2.98Å
70	E	98.5	Very high	97.6	Very high	57 Å²	57	57.6 Å²	57.6	27%	0.266	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	138.6	-175.2	-63.6	-178.1	151.1	0	0	111.2	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.21Å; R59-E70 PolarHBondContact N-O 3.24Å; R59-E70 PolarHBondContact O-N 3.04Å; R68-E70 HydrophobicContact CG-CG 4.06Å; E70-R72 IonicContact OE2-CZ 3.71Å; E70-R72 IonicContact OE2-NH2 2.77Å; E70-R72 PolarHBondContact OE2-NH2 2.87Å
71	P	98.4	Very high	97.5	Very high	51 Å²	51	61.5 Å²	61.5	33%	0.331	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	144.5	174.4	29	-34.8	0	0	0	111.1	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.56Å; P71-E77 HydrophobicContact CB-CG 3.86Å; P71-E77 HydrophobicContact CG-CG 4.1Å; P71-W84 HydrophobicContact CB-CH2 3.66Å; P71-W84 HydrophobicContact CB-CZ2 4.03Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; P71-W84 HydrophobicContact CG-CZ2 4.46Å
72	R	98.4	Very high	97.5	Very high	121 Å²	121	67.3 Å²	67.3	46%	0.457	38%	0.377	S	S	.	.			trans	-128.2	-2	175.5	-59.2	-64.9	170.4	175	-3.1	113.4	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.2Å; Q56-R72 HydrophobicContact CG-CG 4.42Å; Q56-R72 CarbonylContact O-C 3.58Å; F57-R72 PolarHBondContact O-N 2.77Å; R59-R72 HydrophobicContact CB-CG 3.9Å; E70-R72 IonicContact OE2-CZ 3.71Å; E70-R72 IonicContact OE2-NH2 2.77Å; E70-R72 PolarHBondContact OE2-NH2 2.87Å
73	A	96.6	Very high	97.5	Very high	6 Å²	6	66.6 Å²	66.6	5%	0.05	37%	0.37	C	S	.	.	S	Bend	trans	-135.6	145.8	171.9	0	0	0	0	0	110.6	T55 F57 W75 I76	T55-A73 HydrophobicContact CG2-CB 4.37Å; F57-A73 HydrophobicContact CB-CB 4.15Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.2Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 4.05Å; A73-W75 PolarHBondContact O-N 2.8Å; A73-I76 WeakPolarHBondContact O-CG2 3.33Å; A73-I76 PolarHBondContact O-N 2.67Å
74	P	96.4	Very high	97.5	Very high	107 Å²	107	64.5 Å²	64.5	70%	0.695	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-59.8	-36.6	-176.8	-26	34.8	0	0	0	113.9	I76 E77	P74-I76 PolarHBondContact O-N 3.01Å; P74-E77 WeakPolarHBondContact O-CB 3.44Å; P74-E77 PolarHBondContact O-N 3.04Å; P74-E77 VanDerWaalsContact O-N 3.16Å
75	W	95.6	Very high	97.6	Very high	15 Å²	15	68.1 Å²	68.1	6%	0.057	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-69.9	-15.1	-176.2	54.4	-106.9	0	0	0	114.1	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.27Å; V52-W75 HydrophobicContact CB-CZ2 4.33Å; V52-W75 HydrophobicContact CG2-CH2 3.84Å; V52-W75 HydrophobicContact CG2-CZ2 4.4Å; F57-W75 HydrophobicContact CB-CH2 3.16Å; F57-W75 HydrophobicContact CB-CZ2 3.32Å; F57-W75 HydrophobicContact CB-CZ3 4.04Å; F57-W75 HydrophobicContact CD1-CH2 4.14Å; F57-W75 AromaticContact CD2-CH2 3.67Å; F57-W75 HydrophobicContact CD2-CH2 3.67Å; F57-W75 HydrophobicContact CD2-CZ3 4Å; F57-W75 AromaticContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CH2 3.42Å; F57-W75 VanDerWaalsContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CZ2 4.05Å; F57-W75 HydrophobicContact CG-CZ3 4.2Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.2Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 4.05Å; A73-W75 PolarHBondContact O-N 2.8Å; W75-Q78 WeakPolarHBondContact O-CG 3.23Å; W75-Y195 HydrophobicContact CH2-CG 4.16Å; W75-Y195 AromaticContact CZ3-CD1 3.78Å; W75-Y195 HydrophobicContact CZ3-CD1 3.78Å; W75-Y195 HydrophobicContact CZ3-CD2 4.49Å; W75-Y195 AromaticContact CZ3-CG 3.71Å; W75-Y195 HydrophobicContact CZ3-CG 3.71Å; W75-N198 HydrophobicContact CB-CB 4.47Å; W75-N198 HydrophobicContact CE3-CB 4.43Å; W75-L203 HydrophobicContact CZ2-CD1 3.98Å; W75-L203 HydrophobicContact CZ2-CD2 4.45Å
76	I	97.6	Very high	97.6	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-86.1	-19.4	174.8	-164.6	69.7	0	0	0	111.8	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.4Å; F57-I76 HydrophobicContact CD2-CD1 3.91Å; F57-I76 HydrophobicContact CD2-CG1 3.99Å; F57-I76 HydrophobicContact CE2-CD1 4.21Å; F57-I76 VanDerWaalsContact O-CG2 3.26Å; F57-I76 WeakPolarHBondContact O-CG2 3.33Å; V58-I76 HydrophobicContact CG1-CG1 4.21Å; P71-I76 HydrophobicContact CB-CG2 3.56Å; A73-I76 WeakPolarHBondContact O-CG2 3.33Å; A73-I76 PolarHBondContact O-N 2.67Å; P74-I76 PolarHBondContact O-N 3.01Å; I76-Q78 PolarHBondContact O-N 3.4Å; I76-Q78 VanDerWaalsContact O-N 3.11Å; I76-E79 HydrophobicContact CD1-CG 3.68Å; I76-E79 HydrophobicContact CG1-CG 4.29Å; I76-E79 WeakPolarHBondContact O-CB 3.31Å; I76-E79 WeakPolarHBondContact O-CG 3.47Å; I76-E79 PolarHBondContact O-N 3.11Å; I76-Y83 HydrophobicContact CD1-CE1 4.29Å; I76-Y83 HydrophobicContact CG1-CE1 4.35Å; I76-W84 HydrophobicContact CB-CH2 4.46Å; I76-W84 HydrophobicContact CG1-CH2 3.72Å; I76-W84 HydrophobicContact CG1-CZ2 3.98Å; I76-W84 HydrophobicContact CG2-CH2 4.03Å; I76-W84 HydrophobicContact CG2-CZ2 4.41Å; I76-W84 WeakPolarHBondContact O-CZ2 3.35Å; I76-Y195 HydrophobicContact CD1-CD1 3.73Å; I76-Y195 HydrophobicContact CD1-CE1 3.33Å
77	E	96.1	Very high	97.7	Very high	129 Å²	129	65.6 Å²	65.6	60%	0.603	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.6	-177.9	-63.4	-177.4	-171.9	0	0	113.3	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.86Å; P71-E77 HydrophobicContact CG-CG 4.1Å; P74-E77 WeakPolarHBondContact O-CB 3.44Å; P74-E77 PolarHBondContact O-N 3.04Å; P74-E77 VanDerWaalsContact O-N 3.16Å; E77-E79 PolarHBondContact O-N 2.97Å
78	Q	95.5	Very high	97.7	Very high	117 Å²	117	64.3 Å²	64.3	55%	0.547	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-12.1	175.8	72.5	-174.4	37.6	0	0	114	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.23Å; I76-Q78 PolarHBondContact O-N 3.4Å; I76-Q78 VanDerWaalsContact O-N 3.11Å; Q78-N198 PolarHBondContact NE2-ND2 3.41Å; Q78-N198 PolarHBondContact NE2-OD1 2.91Å
79	E	97.6	Very high	97.7	Very high	13 Å²	13	62.8 Å²	62.8	6%	0.061	32%	0.316	C	S	.	.	S	Bend	trans	-67.2	139.2	175.1	-66	-60.6	160.6	0	0	111.2	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.68Å; I76-E79 HydrophobicContact CG1-CG 4.29Å; I76-E79 WeakPolarHBondContact O-CB 3.31Å; I76-E79 WeakPolarHBondContact O-CG 3.47Å; I76-E79 PolarHBondContact O-N 3.11Å; E77-E79 PolarHBondContact O-N 2.97Å; E79-Y83 HydrophobicContact CB-CD1 3.72Å; E79-Y83 HydrophobicContact CB-CD2 4.43Å; E79-Y83 HydrophobicContact CB-CE1 4.32Å; E79-Y83 HydrophobicContact CB-CG 3.79Å; E79-Y83 HydrophobicContact CG-CD1 4.19Å; E79-Y83 HydrophobicContact CG-CD2 4.35Å; E79-Y83 HydrophobicContact CG-CE1 4.39Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; E79-W84 PolarHBondContact O-NE1 3.24Å; E79-R194 IonicContact OE1-CZ 3.67Å; E79-R194 IonicContact OE1-NE 3.19Å; E79-R194 PolarHBondContact OE1-NE 2.74Å; E79-R194 IonicContact OE1-NH2 2.68Å; E79-R194 PolarHBondContact OE1-NH2 3.03Å; E79-R194 IonicContact OE2-CZ 2.8Å; E79-R194 IonicContact OE2-NE 3.71Å; E79-R194 PolarHBondContact OE2-NE 2.65Å; E79-R194 IonicContact OE2-NH2 3.46Å; E79-R194 PolarHBondContact OE2-NH2 3.37Å; E79-N198 PolarHBondContact OE1-ND2 2.92Å
80	G	97.5	Very high	97.7	Very high	29 Å²	29	65.9 Å²	65.9	30%	0.299	33%	0.331	S	S	.	.			trans	-70.2	166.6	-175.6	0	0	0	0	0	114.1	E82 Y83 W84	G80-E82 PolarHBondContact O-N 3.28Å; G80-Y83 WeakPolarHBondContact O-CB 3.39Å; G80-Y83 PolarHBondContact O-N 2.82Å; G80-W84 VanDerWaalsContact O-CD1 3.24Å
81	P	97.8	Very high	97.7	Very high	84 Å²	84	63.4 Å²	63.4	55%	0.545	32%	0.321	S	S	.	.	H	α-helix	trans	-57.5	-33.2	-179.1	23.4	-32.7	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 3.27Å; P81-W84 PolarHBondContact O-N 2.81Å; P81-W84 VanDerWaalsContact O-N 3.15Å; P81-D85 WeakPolarHBondContact O-CB 3.39Å; P81-D85 PolarHBondContact O-N 3.31Å
82	E	98.1	Very high	97.7	Very high	145 Å²	145	65.4 Å²	65.4	68%	0.678	32%	0.324	S	S	*	.	H	α-helix	trans	-62.8	-33	178.6	-60.9	78.1	-171.2	0	0	112.4	G80 R86	G80-E82 PolarHBondContact O-N 3.28Å; E82-R86 WeakPolarHBondContact O-CB 3.39Å; E82-R86 PolarHBondContact O-N 2.98Å; E82-R86 VanDerWaalsContact O-N 3.08Å
83	Y	98.2	Very high	97.7	Very high	12 Å²	12	63.1 Å²	63.1	5%	0.047	32%	0.324	C	S	.	.	H	α-helix	trans	-64.8	-49.6	174	171.9	-89	0	0	0	110.5	I76 E79 G80 P81 R86 N87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.29Å; I76-Y83 HydrophobicContact CG1-CE1 4.35Å; E79-Y83 HydrophobicContact CB-CD1 3.72Å; E79-Y83 HydrophobicContact CB-CD2 4.43Å; E79-Y83 HydrophobicContact CB-CE1 4.32Å; E79-Y83 HydrophobicContact CB-CG 3.79Å; E79-Y83 HydrophobicContact CG-CD1 4.19Å; E79-Y83 HydrophobicContact CG-CD2 4.35Å; E79-Y83 HydrophobicContact CG-CE1 4.39Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; G80-Y83 WeakPolarHBondContact O-CB 3.39Å; G80-Y83 PolarHBondContact O-N 2.82Å; P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 3.27Å; Y83-R86 PolarHBondContact O-N 3.45Å; Y83-N87 VanDerWaalsContact CD2-ND2 3.29Å; Y83-N87 WeakPolarHBondContact CD2-ND2 3.35Å; Y83-N87 WeakPolarHBondContact CE1-ND2 3.21Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.16Å; Y83-N87 WeakPolarHBondContact O-CB 3.42Å; Y83-N87 PolarHBondContact O-N 2.99Å; Y83-N87 PolarHBondContact O-ND2 3.07Å; Y83-W191 AromaticContact CD2-CH2 3.54Å; Y83-W191 HydrophobicContact CD2-CH2 3.54Å; Y83-W191 HydrophobicContact CD2-CZ2 4.28Å; Y83-W191 AromaticContact CD2-CZ3 3.71Å; Y83-W191 HydrophobicContact CD2-CZ3 3.71Å; Y83-W191 HydrophobicContact CE2-CE3 4.1Å; Y83-W191 AromaticContact CE2-CH2 3.87Å; Y83-W191 HydrophobicContact CE2-CH2 3.87Å; Y83-W191 AromaticContact CE2-CZ3 3.61Å; Y83-W191 HydrophobicContact CE2-CZ3 3.61Å; Y83-Y195 HydrophobicContact CE2-CE1 4.38Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.44Å; Y83-Y195 PolarHBondContact OH-OH 3.34Å
84	W	98.6	Very high	97.8	Very high	40 Å²	40	64.5 Å²	64.5	15%	0.152	33%	0.33	C	S	.	.	H	α-helix	trans	-66.3	-41.5	-177.2	-64.2	111	0	0	0	112.2	V58 E69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.07Å; V58-W84 HydrophobicContact CG1-CZ3 3.94Å; E69-W84 HydrophobicContact CB-CE3 4.12Å; E69-W84 HydrophobicContact CB-CZ3 4.42Å; E69-W84 HydrophobicContact CG-CE3 4.24Å; E69-W84 HydrophobicContact CG-CZ3 4.11Å; P71-W84 HydrophobicContact CB-CH2 3.66Å; P71-W84 HydrophobicContact CB-CZ2 4.03Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; P71-W84 HydrophobicContact CG-CZ2 4.46Å; I76-W84 HydrophobicContact CB-CH2 4.46Å; I76-W84 HydrophobicContact CG1-CH2 3.72Å; I76-W84 HydrophobicContact CG1-CZ2 3.98Å; I76-W84 HydrophobicContact CG2-CH2 4.03Å; I76-W84 HydrophobicContact CG2-CZ2 4.41Å; I76-W84 WeakPolarHBondContact O-CZ2 3.35Å; E79-W84 PolarHBondContact O-NE1 3.24Å; G80-W84 VanDerWaalsContact O-CD1 3.24Å; P81-W84 PolarHBondContact O-N 2.81Å; P81-W84 VanDerWaalsContact O-N 3.15Å; W84-T88 WeakPolarHBondContact O-CB 3.43Å; W84-T88 PolarHBondContact O-N 3.49Å; W84-T88 PolarHBondContact O-OG1 3.38Å
85	D	98.6	Very high	97.9	Very high	113 Å²	113	60.5 Å²	60.5	60%	0.604	30%	0.304	S	S	*	.	H	α-helix	trans	-64.5	-45.5	176.9	-75.3	-17.5	0	0	0	111.3	P81 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.39Å; P81-D85 PolarHBondContact O-N 3.31Å; D85-T88 PolarHBondContact O-N 2.87Å; D85-Q89 WeakPolarHBondContact O-CB 3.27Å; D85-Q89 PolarHBondContact O-N 2.83Å
86	R	98.4	Very high	98	Very high	121 Å²	121	64.1 Å²	64.1	46%	0.457	32%	0.321	S	S	.	.	H	α-helix	trans	-62.6	-50	178.4	-174.9	-176.5	69.5	-173.9	0.7	111.8	E82 Y83 Q89 I90	E82-R86 WeakPolarHBondContact O-CB 3.39Å; E82-R86 PolarHBondContact O-N 2.98Å; E82-R86 VanDerWaalsContact O-N 3.08Å; Y83-R86 PolarHBondContact O-N 3.45Å; R86-Q89 PolarHBondContact O-N 3.25Å; R86-I90 HydrophobicContact CG-CD1 4.18Å; R86-I90 WeakPolarHBondContact O-CG1 3.35Å; R86-I90 PolarHBondContact O-N 3.14Å
87	N	98.4	Very high	98.1	Very high	23 Å²	23	67.2 Å²	67.2	12%	0.123	34%	0.341	C	S	.	.	H	α-helix	trans	-67.1	-37.9	-179.1	-72.5	-66.8	0	0	0	111.6	E69 Y83 Q89 I90 S91	E69-N87 HydrophobicContact CB-CB 4.19Å; E69-N87 HydrophobicContact CG-CB 3.99Å; Y83-N87 VanDerWaalsContact CD2-ND2 3.29Å; Y83-N87 WeakPolarHBondContact CD2-ND2 3.35Å; Y83-N87 WeakPolarHBondContact CE1-ND2 3.21Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.16Å; Y83-N87 WeakPolarHBondContact O-CB 3.42Å; Y83-N87 PolarHBondContact O-N 2.99Å; Y83-N87 PolarHBondContact O-ND2 3.07Å; N87-Q89 VanDerWaalsContact C-N 3.29Å; N87-Q89 PolarHBondContact O-N 2.69Å; N87-I90 PolarHBondContact O-N 2.99Å; N87-S91 PolarHBondContact O-N 2.9Å; N87-S91 PolarHBondContact O-OG 3.02Å
88	T	98.8	Very high	98.2	Very high	14 Å²	14	61.6 Å²	61.6	9%	0.086	31%	0.314	C	S	.	.	H	α-helix	trans	-57.5	-43.5	171.5	-66.6	0	0	0	0	111.6	R68 E69 W84 D85 S91 K92	R68-T88 HydrophobicContact CB-CG2 4.07Å; E69-T88 PolarHBondContact N-OG1 2.88Å; W84-T88 WeakPolarHBondContact O-CB 3.43Å; W84-T88 PolarHBondContact O-N 3.49Å; W84-T88 PolarHBondContact O-OG1 3.38Å; D85-T88 PolarHBondContact O-N 2.87Å; T88-S91 PolarHBondContact O-N 3.42Å; T88-K92 HydrophobicContact CG2-CD 4.19Å; T88-K92 WeakPolarHBondContact O-CG 3.29Å; T88-K92 PolarHBondContact O-N 2.84Å
89	Q	98.7	Very high	98.3	Very high	111 Å²	111	58.9 Å²	58.9	52%	0.519	30%	0.299	S	S	.	.	H	α-helix	trans	-67.3	-38.7	178.8	-172.5	58.4	29.4	0	0	112.1	D85 R86 N87 K92 T93	D85-Q89 WeakPolarHBondContact O-CB 3.27Å; D85-Q89 PolarHBondContact O-N 2.83Å; R86-Q89 PolarHBondContact O-N 3.25Å; N87-Q89 VanDerWaalsContact C-N 3.29Å; N87-Q89 PolarHBondContact O-N 2.69Å; Q89-K92 PolarHBondContact O-N 3.11Å; Q89-T93 PolarHBondContact O-N 3.23Å; Q89-T93 PolarHBondContact O-OG1 3.17Å
90	I	98.3	Very high	98.4	Very high	75 Å²	75	63.9 Å²	63.9	39%	0.385	32%	0.322	S	S	.	.	H	α-helix	trans	-59.5	-50	173.1	-69.2	165.6	0	0	0	110.2	R86 N87 K92 T93 N94	R86-I90 HydrophobicContact CG-CD1 4.18Å; R86-I90 WeakPolarHBondContact O-CG1 3.35Å; R86-I90 PolarHBondContact O-N 3.14Å; N87-I90 PolarHBondContact O-N 2.99Å; I90-K92 VanDerWaalsContact C-N 3.29Å; I90-K92 PolarHBondContact O-N 2.74Å; I90-T93 PolarHBondContact O-N 2.76Å; I90-T93 VanDerWaalsContact O-N 3.11Å; I90-N94 PolarHBondContact O-N 3.4Å
91	S	98.6	Very high	98.4	Very high	6 Å²	6	64.3 Å²	64.3	4%	0.042	32%	0.32	C	S	.	.	H	α-helix	trans	-61.1	-35.6	178.9	-64.9	0	0	0	0	112.7	F60 E69 N87 T88 N94 T95	F60-S91 VanDerWaalsContact CG-CB 3.4Å; E69-S91 PolarHBondContact OE2-OG 2.98Å; N87-S91 PolarHBondContact O-N 2.9Å; N87-S91 PolarHBondContact O-OG 3.02Å; T88-S91 PolarHBondContact O-N 3.42Å; S91-N94 PolarHBondContact O-N 3.3Å; S91-T95 PolarHBondContact O-N 2.81Å; S91-T95 PolarHBondContact O-OG1 2.76Å
92	K	98.5	Very high	98.4	Very high	93 Å²	93	60.7 Å²	60.7	40%	0.404	30%	0.296	S	S	.	.	H	α-helix	trans	-67.6	-41.7	172.6	-75	175	-179.9	174	0	112.9	F60 P67 T88 Q89 I90 T95 Q96	F60-K92 HydrophobicContact CE2-CG 4.36Å; F60-K92 HydrophobicContact CZ-CG 4.2Å; P67-K92 WeakPolarHBondContact O-CE 3.32Å; T88-K92 HydrophobicContact CG2-CD 4.19Å; T88-K92 WeakPolarHBondContact O-CG 3.29Å; T88-K92 PolarHBondContact O-N 2.84Å; Q89-K92 PolarHBondContact O-N 3.11Å; I90-K92 VanDerWaalsContact C-N 3.29Å; I90-K92 PolarHBondContact O-N 2.74Å; K92-T95 WeakPolarHBondContact O-CB 3.21Å; K92-T95 PolarHBondContact O-N 3.17Å; K92-Q96 PolarHBondContact O-N 2.68Å
93	T	98.6	Very high	98.4	Very high	73 Å²	73	59.6 Å²	59.6	45%	0.448	29%	0.286	S	S	.	.	H	α-helix	trans	-63	-45.9	173.5	-67	0	0	0	0	110.5	Q89 I90 T95 Q96 T97	Q89-T93 PolarHBondContact O-N 3.23Å; Q89-T93 PolarHBondContact O-OG1 3.17Å; I90-T93 PolarHBondContact O-N 2.76Å; I90-T93 VanDerWaalsContact O-N 3.11Å; T93-T95 VanDerWaalsContact C-N 3.29Å; T93-T95 PolarHBondContact O-N 2.83Å; T93-Q96 PolarHBondContact O-N 3.18Å; T93-T97 PolarHBondContact O-N 3.14Å; T93-T97 PolarHBondContact O-OG1 3.25Å
94	N	98.4	Very high	98.4	Very high	34 Å²	34	63 Å²	63	18%	0.182	31%	0.305	C	S	.	.	H	α-helix	trans	-59.5	-39.4	176.8	-73	-2.7	0	0	0	111.8	F46 I90 S91 Q96 T97 Y98	F46-N94 HydrophobicContact CE1-CB 4.02Å; F46-N94 HydrophobicContact CE2-CB 4.18Å; F46-N94 HydrophobicContact CZ-CB 3.62Å; I90-N94 PolarHBondContact O-N 3.4Å; S91-N94 PolarHBondContact O-N 3.3Å; N94-Q96 PolarHBondContact O-N 2.66Å; N94-T97 PolarHBondContact O-N 3.33Å; N94-T97 VanDerWaalsContact O-N 3.12Å; N94-Y98 HydrophobicContact CB-CD2 4.35Å; N94-Y98 HydrophobicContact CB-CE2 4.4Å; N94-Y98 VanDerWaalsContact O-CD2 3.25Å; N94-Y98 WeakPolarHBondContact O-CD2 3.23Å; N94-Y98 PolarHBondContact O-N 2.94Å
95	T	98.6	Very high	98.3	Very high	23 Å²	23	61.4 Å²	61.4	14%	0.141	30%	0.3	C	S	.	.	H	α-helix	trans	-52.9	-41.8	174.3	-59.5	0	0	0	0	112	F46 S91 K92 T93 R99	F46-T95 HydrophobicContact CB-CG2 3.94Å; F46-T95 VanDerWaalsContact CD1-OG1 3.29Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.26Å; S91-T95 PolarHBondContact O-N 2.81Å; S91-T95 PolarHBondContact O-OG1 2.76Å; K92-T95 WeakPolarHBondContact O-CB 3.21Å; K92-T95 PolarHBondContact O-N 3.17Å; T93-T95 VanDerWaalsContact C-N 3.29Å; T93-T95 PolarHBondContact O-N 2.83Å; T95-R99 WeakPolarHBondContact O-CB 3.5Å; T95-R99 PolarHBondContact O-N 2.63Å
96	Q	98.4	Very high	98.3	Very high	91 Å²	91	59.4 Å²	59.4	43%	0.425	28%	0.283	S	S	.	.	H	α-helix	trans	-74.3	-43	176.7	-58.9	-51.8	-46.9	0	0	112.2	K92 T93 N94 Y98 R99 E100	K92-Q96 PolarHBondContact O-N 2.68Å; T93-Q96 PolarHBondContact O-N 3.18Å; N94-Q96 PolarHBondContact O-N 2.66Å; Q96-Y98 VanDerWaalsContact C-N 3.33Å; Q96-Y98 PolarHBondContact O-N 3.04Å; Q96-R99 WeakPolarHBondContact O-CB 3.35Å; Q96-R99 PolarHBondContact O-N 3.2Å; Q96-E100 PolarHBondContact O-N 2.82Å
97	T	98.3	Very high	98.2	Very high	66 Å²	66	55.7 Å²	55.7	41%	0.405	28%	0.283	S	S	.	.	H	α-helix	trans	-57.3	-44.2	177.3	-58.1	0	0	0	0	112.1	T93 N94 E100 S101	T93-T97 PolarHBondContact O-N 3.14Å; T93-T97 PolarHBondContact O-OG1 3.25Å; N94-T97 PolarHBondContact O-N 3.33Å; N94-T97 VanDerWaalsContact O-N 3.12Å; T97-E100 PolarHBondContact O-N 3.08Å; T97-S101 WeakPolarHBondContact O-CB 3.13Å; T97-S101 PolarHBondContact O-N 3.19Å; T97-S101 PolarHBondContact O-OG 2.88Å
98	Y	98.5	Very high	98.2	Very high	10 Å²	10	57.1 Å²	57.1	4%	0.039	29%	0.287	C	S	.	.	H	α-helix	trans	-71.9	-34	179.1	-83.7	-105.3	0	0	0	112.3	D33 A35 F46 N94 Q96 S101 L102 L119 S121	D33-Y98 HydrophobicContact CB-CE1 4Å; D33-Y98 HydrophobicContact CB-CE2 4.21Å; D33-Y98 WeakPolarHBondContact CB-OH 3.39Å; D33-Y98 PolarHBondContact OD2-OH 2.92Å; A35-Y98 HydrophobicContact CB-CD1 3.68Å; A35-Y98 HydrophobicContact CB-CG 4Å; F46-Y98 HydrophobicContact CD2-CD1 4.49Å; F46-Y98 HydrophobicContact CD2-CD2 4.13Å; F46-Y98 AromaticContact CD2-CG 4Å; F46-Y98 HydrophobicContact CD2-CG 4Å; F46-Y98 HydrophobicContact CE2-CD1 4.25Å; F46-Y98 AromaticContact CE2-CD2 3.56Å; F46-Y98 HydrophobicContact CE2-CD2 3.56Å; F46-Y98 HydrophobicContact CE2-CE1 4.44Å; F46-Y98 AromaticContact CE2-CE2 3.74Å; F46-Y98 HydrophobicContact CE2-CE2 3.74Å; F46-Y98 AromaticContact CE2-CG 3.82Å; F46-Y98 HydrophobicContact CE2-CG 3.82Å; F46-Y98 HydrophobicContact CZ-CD2 4.45Å; F46-Y98 HydrophobicContact CZ-CE2 4.4Å; N94-Y98 HydrophobicContact CB-CD2 4.35Å; N94-Y98 HydrophobicContact CB-CE2 4.4Å; N94-Y98 VanDerWaalsContact O-CD2 3.25Å; N94-Y98 WeakPolarHBondContact O-CD2 3.23Å; N94-Y98 PolarHBondContact O-N 2.94Å; Q96-Y98 VanDerWaalsContact C-N 3.33Å; Q96-Y98 PolarHBondContact O-N 3.04Å; Y98-S101 PolarHBondContact O-N 3.19Å; Y98-L102 WeakPolarHBondContact O-CB 3.43Å; Y98-L102 WeakPolarHBondContact O-CG 3.39Å; Y98-L102 PolarHBondContact O-N 3.19Å; Y98-L119 HydrophobicContact CD1-CB 4.39Å; Y98-L119 HydrophobicContact CD1-CD2 3.62Å; Y98-L119 HydrophobicContact CD1-CG 3.83Å; Y98-L119 HydrophobicContact CE1-CD2 4.06Å; Y98-L119 HydrophobicContact CE1-CG 3.98Å; Y98-L119 HydrophobicContact CG-CD2 4.42Å; Y98-S121 VanDerWaalsContact OH-CB 3.28Å; Y98-S121 WeakPolarHBondContact OH-CB 3.25Å; Y98-S121 PolarHBondContact OH-OG 2.91Å
99	R	98.2	Very high	98.2	Very high	61 Å²	61	59.7 Å²	59.7	23%	0.23	30%	0.296	C	S	.	.	H	α-helix	trans	-59.4	-45.9	172	174.3	-170.9	-178.6	-160.4	1.7	111.4	E43 P44 T95 Q96 R103	E43-R99 VanDerWaalsContact CD-NE 3.3Å; E43-R99 IonicContact OE1-CZ 3.23Å; E43-R99 VanDerWaalsContact OE1-CZ 3.29Å; E43-R99 IonicContact OE1-NE 3.97Å; E43-R99 IonicContact OE1-NH2 3.41Å; E43-R99 PolarHBondContact OE1-NH2 3.46Å; E43-R99 WeakPolarHBondContact OE2-CD 3.31Å; E43-R99 IonicContact OE2-CZ 3.29Å; E43-R99 IonicContact OE2-NE 3.27Å; E43-R99 PolarHBondContact OE2-NE 2.8Å; E43-R99 IonicContact OE2-NH2 2.65Å; E43-R99 PolarHBondContact OE2-NH2 2.84Å; P44-R99 HydrophobicContact CG-CB 4.4Å; P44-R99 HydrophobicContact CG-CG 4.23Å; T95-R99 WeakPolarHBondContact O-CB 3.5Å; T95-R99 PolarHBondContact O-N 2.63Å; Q96-R99 WeakPolarHBondContact O-CB 3.35Å; Q96-R99 PolarHBondContact O-N 3.2Å; R99-R103 VanDerWaalsContact CZ-NH2 3.31Å; R99-R103 VanDerWaalsContact NE-NH2 3.11Å; R99-R103 PolarHBondContact O-N 3.11Å
100	E	98.1	Very high	98.1	Very high	117 Å²	117	61.6 Å²	61.6	55%	0.547	31%	0.309	S	S	.	.	H	α-helix	trans	-66.9	-40.7	175.5	-69.3	-178.3	-179.8	0	0	111.9	Q96 T97 L102 R103 N104	Q96-E100 PolarHBondContact O-N 2.82Å; T97-E100 PolarHBondContact O-N 3.08Å; E100-L102 PolarHBondContact O-N 2.88Å; E100-R103 WeakPolarHBondContact O-CB 3.13Å; E100-R103 PolarHBondContact O-N 3.05Å; E100-R103 VanDerWaalsContact O-N 3.12Å; E100-N104 PolarHBondContact O-N 2.84Å; E100-N104 PolarHBondContact O-ND2 2.04Å
101	S	98.3	Very high	98.1	Very high	38 Å²	38	60.8 Å²	60.8	27%	0.266	30%	0.304	S	S	.	.	H	α-helix	trans	-61	-42.6	177.3	-60.6	0	0	0	0	112	T97 Y98 R103 N104 L105 L119	T97-S101 WeakPolarHBondContact O-CB 3.13Å; T97-S101 PolarHBondContact O-N 3.19Å; T97-S101 PolarHBondContact O-OG 2.88Å; Y98-S101 PolarHBondContact O-N 3.19Å; S101-R103 VanDerWaalsContact C-N 3.31Å; S101-R103 PolarHBondContact O-N 2.87Å; S101-N104 PolarHBondContact O-N 2.89Å; S101-L105 WeakPolarHBondContact O-CB 3.47Å; S101-L105 VanDerWaalsContact O-CG 3.27Å; S101-L105 WeakPolarHBondContact O-CG 3.36Å; S101-L105 PolarHBondContact O-N 3.29Å; S101-L119 VanDerWaalsContact CB-CD2 3.47Å
102	L	98.5	Very high	97.9	Very high	9 Å²	9	64.2 Å²	64.2	5%	0.047	33%	0.328	C	S	.	.	H	α-helix	trans	-59.5	-39	173.9	-78	168.6	0	0	0	112.4	A35 P44 Y98 E100 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.81Å; A35-L102 HydrophobicContact CB-CG 4.5Å; P44-L102 HydrophobicContact CB-CD1 3.66Å; P44-L102 HydrophobicContact CG-CD1 3.84Å; Y98-L102 WeakPolarHBondContact O-CB 3.43Å; Y98-L102 WeakPolarHBondContact O-CG 3.39Å; Y98-L102 PolarHBondContact O-N 3.19Å; E100-L102 PolarHBondContact O-N 2.88Å; L102-R106 WeakPolarHBondContact O-CB 3.38Å; L102-R106 PolarHBondContact O-N 3.44Å; L102-R106 VanDerWaalsContact O-N 3.08Å; L102-H117 HydrophobicContact CD2-CB 4.33Å; L102-L119 HydrophobicContact CD2-CB 3.68Å; L102-L119 HydrophobicContact CG-CB 4.15Å; L102-Y142 HydrophobicContact CD2-CE2 4.02Å
103	R	97.1	Very high	97.6	Very high	121 Å²	121	66.4 Å²	66.4	46%	0.457	34%	0.34	S	S	.	.	H	α-helix	trans	-66.2	-43.1	175.6	-69.3	173.1	178	161.4	-1.3	111.7	R99 E100 S101 G107	R99-R103 VanDerWaalsContact CZ-NH2 3.31Å; R99-R103 VanDerWaalsContact NE-NH2 3.11Å; R99-R103 PolarHBondContact O-N 3.11Å; E100-R103 WeakPolarHBondContact O-CB 3.13Å; E100-R103 PolarHBondContact O-N 3.05Å; E100-R103 VanDerWaalsContact O-N 3.12Å; S101-R103 VanDerWaalsContact C-N 3.31Å; S101-R103 PolarHBondContact O-N 2.87Å; R103-G107 PolarHBondContact O-N 2.83Å
104	N	97.8	Very high	97.3	Very high	85 Å²	85	67 Å²	67	46%	0.455	35%	0.352	S	S	.	.	H	α-helix	trans	-64.3	-47.4	178.1	-70.3	-27.4	0	0	0	111.6	E100 S101 R106 G107 Y108	E100-N104 PolarHBondContact O-N 2.84Å; E100-N104 PolarHBondContact O-ND2 2.04Å; S101-N104 PolarHBondContact O-N 2.89Å; N104-R106 PolarHBondContact O-N 3.05Å; N104-G107 CarbonylContact O-C 3.59Å; N104-G107 WeakPolarHBondContact O-CA 3.18Å; N104-G107 PolarHBondContact O-N 2.89Å; N104-G107 VanDerWaalsContact O-N 3.08Å; N104-Y108 WeakPolarHBondContact O-CD1 3.11Å; N104-Y108 PolarHBondContact O-N 2.82Å
105	L	98.3	Very high	97	Very high	6 Å²	6	66.4 Å²	66.4	3%	0.031	35%	0.354	C	S	.	.	H	α-helix	trans	-60.5	-46.3	179.3	-71.5	166.9	0	0	0	111.3	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.47Å; S101-L105 VanDerWaalsContact O-CG 3.27Å; S101-L105 WeakPolarHBondContact O-CG 3.36Å; S101-L105 PolarHBondContact O-N 3.29Å; L105-G107 PolarHBondContact O-N 2.96Å; L105-Y108 HydrophobicContact CD2-CD2 4.41Å; L105-Y108 PolarHBondContact O-N 3Å; L105-Y109 HydrophobicContact CD2-CE2 4.25Å; L105-Y109 VanDerWaalsContact O-CD2 3.27Å; L105-Y109 WeakPolarHBondContact O-CD2 3.02Å; L105-Y109 PolarHBondContact O-N 3.06Å; L105-L119 HydrophobicContact CD1-CB 4.33Å; L105-L119 HydrophobicContact CD1-CD1 3.7Å; L105-L119 HydrophobicContact CD1-CD2 3.84Å; L105-L119 HydrophobicContact CD1-CG 4.17Å; L105-Y142 HydrophobicContact CB-CD1 4.37Å; L105-Y142 HydrophobicContact CB-CD2 4.23Å; L105-Y142 HydrophobicContact CB-CE1 3.98Å; L105-Y142 HydrophobicContact CB-CE2 3.85Å; L105-Y142 HydrophobicContact CB-CG 4.47Å; L105-Y142 HydrophobicContact CD1-CD2 3.59Å; L105-Y142 HydrophobicContact CD1-CE2 3.89Å; L105-Y142 HydrophobicContact CD1-CG 4.03Å; L105-Y142 HydrophobicContact CG-CD2 4.42Å; L105-Y142 HydrophobicContact CG-CE2 4.48Å; L105-Y147 HydrophobicContact CD2-CD1 4.34Å; L105-Y147 HydrophobicContact CD2-CD2 4.09Å; L105-Y147 HydrophobicContact CD2-CE1 3.78Å; L105-Y147 HydrophobicContact CD2-CE2 3.46Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.46Å; L105-Y147 HydrophobicContact CD2-CG 4.49Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.4Å
106	R	97.4	Very high	96.9	Very high	70 Å²	70	69 Å²	69	26%	0.264	37%	0.373	S	S	.	.	H	α-helix	trans	-53.2	-42.2	173.8	-173	-173.2	68.1	165.4	12.3	111.7	L102 N104 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.38Å; L102-R106 PolarHBondContact O-N 3.44Å; L102-R106 VanDerWaalsContact O-N 3.08Å; N104-R106 PolarHBondContact O-N 3.05Å; R106-N110 PolarHBondContact O-N 2.83Å; R106-N110 VanDerWaalsContact O-N 3.12Å; R106-Q111 HydrophobicContact CG-CB 3.84Å; R106-Q111 WeakPolarHBondContact CG-O 3.07Å; R106-Q111 PolarHBondContact O-N 3.38Å; R106-E113 IonicContact CZ-OE1 3.8Å; R106-E113 VanDerWaalsContact CZ-OE1 3.26Å; R106-E113 IonicContact NH1-OE1 2.82Å; R106-E113 PolarHBondContact NH1-OE1 3.16Å; R106-E113 IonicContact NH2-OE1 3.49Å; R106-E113 PolarHBondContact NH2-OE1 2.83Å
107	G	97.5	Very high	96.9	Very high	44 Å²	44	65.6 Å²	65.6	45%	0.454	36%	0.357	S	S	.	.	H	α-helix	trans	-65.6	-46.1	175.5	0	0	0	0	0	113.1	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.83Å; N104-G107 CarbonylContact O-C 3.59Å; N104-G107 WeakPolarHBondContact O-CA 3.18Å; N104-G107 PolarHBondContact O-N 2.89Å; N104-G107 VanDerWaalsContact O-N 3.08Å; L105-G107 PolarHBondContact O-N 2.96Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.48Å; G107-N110 PolarHBondContact O-N 2.67Å; G107-N110 VanDerWaalsContact O-N 3.13Å; G107-N110 PolarHBondContact O-OD1 2.83Å
108	Y	98.1	Very high	97	Very high	53 Å²	53	64.2 Å²	64.2	21%	0.208	35%	0.349	C	S	.	.	H	α-helix	trans	-61	-35.8	178.9	-63.5	-13.9	0	0	0	112.7	N104 L105 I166 K170	N104-Y108 WeakPolarHBondContact O-CD1 3.11Å; N104-Y108 PolarHBondContact O-N 2.82Å; L105-Y108 HydrophobicContact CD2-CD2 4.41Å; L105-Y108 PolarHBondContact O-N 3Å; Y108-I166 HydrophobicContact CD1-CD1 4.19Å; Y108-I166 HydrophobicContact CE1-CG2 4.03Å; Y108-I166 HydrophobicContact CE2-CB 4.37Å; Y108-I166 HydrophobicContact CE2-CG2 4.22Å; Y108-I166 HydrophobicContact CG-CD1 4.26Å; Y108-K170 PolarHBondContact OH-NZ 2.65Å
109	Y	98.1	Very high	97	Very high	67 Å²	67	64 Å²	64	26%	0.263	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	4.1	178.5	-70	-74.4	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.25Å; L105-Y109 VanDerWaalsContact O-CD2 3.27Å; L105-Y109 WeakPolarHBondContact O-CD2 3.02Å; L105-Y109 PolarHBondContact O-N 3.06Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.48Å; Y109-Q111 PolarHBondContact O-N 2.99Å; Y109-Y142 AromaticContact CD2-CD1 3.7Å; Y109-Y142 HydrophobicContact CD2-CD1 3.7Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.51Å; Y109-Y142 HydrophobicContact CE2-CD1 3.51Å; Y109-Y142 AromaticContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CG-CE1 4.38Å; Y109-Y147 HydrophobicContact CE2-CD2 4.32Å; Y109-Y147 HydrophobicContact CE2-CE2 4.02Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.35Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.32Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.24Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.4Å; Y109-D161 VanDerWaalsContact OH-CG 3.27Å; Y109-D161 PolarHBondContact OH-OD1 2.85Å; Y109-D161 PolarHBondContact OH-OD2 3.39Å; Y109-A163 HydrophobicContact CD1-CB 4.18Å; Y109-A163 HydrophobicContact CD2-CB 4.42Å; Y109-A163 HydrophobicContact CE1-CB 3.65Å; Y109-A163 HydrophobicContact CE2-CB 3.91Å
110	N	97.1	Very high	97	Very high	151 Å²	151	64.7 Å²	64.7	81%	0.807	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	39.3	-177.1	-59.2	-59.2	0	0	0	113.4	R106 G107	R106-N110 PolarHBondContact O-N 2.83Å; R106-N110 VanDerWaalsContact O-N 3.12Å; G107-N110 PolarHBondContact O-N 2.67Å; G107-N110 VanDerWaalsContact O-N 3.13Å; G107-N110 PolarHBondContact O-OD1 2.83Å
111	Q	97.4	Very high	97	Very high	59 Å²	59	59.3 Å²	59.3	28%	0.276	33%	0.33	S	S	.	.			trans	-86.3	151.4	-176.6	-70.8	166.1	-31.5	0	0	111.9	R106 Y109 H117 Y142	R106-Q111 HydrophobicContact CG-CB 3.84Å; R106-Q111 WeakPolarHBondContact CG-O 3.07Å; R106-Q111 PolarHBondContact O-N 3.38Å; Y109-Q111 PolarHBondContact O-N 2.99Å; Q111-H117 PolarHBondContact NE2-CE1 2.88Å; Q111-H117 PolarHBondContact OE1-CE1 2.91Å; Q111-H117 PolarHBondContact OE1-ND1 3.35Å; Q111-Y142 PolarHBondContact OE1-OH 2.86Å
112	S	95.3	Very high	97.1	Very high	77 Å²	77	58.1 Å²	58.1	54%	0.538	32%	0.32	S	S	.	.			trans	-70	155.7	-179	78.1	0	0	0	0	113	A114 G115	S112-A114 PolarHBondContact O-N 2.9Å; S112-G115 PolarHBondContact O-N 2.88Å
113	E	91.6	Very high	97.1	Very high	139 Å²	139	59.8 Å²	59.8	65%	0.65	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-20.1	176.4	-51.3	-147.7	117.4	0	0	114.3	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.38Å; P39-E113 WeakPolarHBondContact CG-O 3.44Å; R106-E113 IonicContact CZ-OE1 3.8Å; R106-E113 VanDerWaalsContact CZ-OE1 3.26Å; R106-E113 IonicContact NH1-OE1 2.82Å; R106-E113 PolarHBondContact NH1-OE1 3.16Å; R106-E113 IonicContact NH2-OE1 3.49Å; R106-E113 PolarHBondContact NH2-OE1 2.83Å; E113-G115 VanDerWaalsContact C-N 3.3Å
114	A	92.5	Very high	97.1	Very high	86 Å²	86	54 Å²	54	71%	0.711	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-12.4	-179.5	0	0	0	0	0	113.1	S112	S112-A114 PolarHBondContact O-N 2.9Å
115	G	93.1	Very high	97.2	Very high	21 Å²	21	50 Å²	50	22%	0.216	28%	0.282	C	S	.	.			trans	-75.6	134.3	179.8	0	0	0	0	0	112.8	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.45Å; S112-G115 PolarHBondContact O-N 2.88Å; E113-G115 VanDerWaalsContact C-N 3.3Å; G115-H117 PolarHBondContact O-CD2 3.45Å; G115-H117 VanDerWaalsContact O-CD2 3.24Å
116	S	96.4	Very high	97.2	Very high	79 Å²	79	51.2 Å²	51.2	55%	0.552	29%	0.289	S	S	*	.			trans	-85.3	133.5	165.1	-179.2	0	0	0	0	108.7	S37	S37-S116 PolarHBondContact O-OG 2.82Å
117	H	98.4	Very high	97.2	Very high	18 Å²	18	48 Å²	48	8%	0.083	28%	0.277	C	S	.	.			trans	-134.3	149.3	-173.8	-63.8	-72.1	0	0	0	110.3	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 3.32Å; S37-H117 PolarHBondContact OG-N 2.61Å; S37-H117 PolarHBondContact OG-O 3.07Å; L102-H117 HydrophobicContact CD2-CB 4.33Å; Q111-H117 PolarHBondContact NE2-CE1 2.88Å; Q111-H117 PolarHBondContact OE1-CE1 2.91Å; Q111-H117 PolarHBondContact OE1-ND1 3.35Å; G115-H117 PolarHBondContact O-CD2 3.45Å; G115-H117 VanDerWaalsContact O-CD2 3.24Å; H117-Y142 HydrophobicContact CB-CE2 3.82Å; H117-Y142 WeakPolarHBondContact CB-OH 3.37Å; H117-Y142 VanDerWaalsContact CG-OH 3.23Å; H117-Y142 AromaticContact ND1-CZ 3.98Å; H117-Y142 PolarHBondContact ND1-OH 3.3Å; H117-D143 WeakPolarHBondContact CA-OD1 3.49Å; H117-D143 IonicContact CE1-OD2 2.98Å; H117-D143 IonicContact CG-OD1 3.18Å; H117-D143 IonicContact CG-OD2 2.65Å; H117-D143 IonicContact ND1-OD1 3.83Å; H117-D143 IonicContact ND1-OD2 3.61Å; H117-D143 PolarHBondContact ND1-OD2 3.39Å
118	T	98.7	Very high	97.1	Very high	37 Å²	37	46 Å²	46	23%	0.227	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	125.4	-177.7	-57.7	0	0	0	0	110.4	T34 A35 M36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.01Å; A35-T118 CarbonylContact O-C 3.56Å; A35-T118 WeakPolarHBondContact O-CA 3.17Å; M36-T118 HydrophobicContact CG-CG2 3.97Å; T118-Q120 HydrophobicContact CG2-CG 3.86Å; T118-Y142 WeakPolarHBondContact O-CA 3.33Å; T118-Y142 VanDerWaalsContact O-CD2 3.31Å; T118-Y142 WeakPolarHBondContact O-CD2 3.31Å; T118-D143 PolarHBondContact N-OD1 2.85Å; T118-D143 PolarHBondContact O-N 2.84Å
119	L	98.9	Very high	96.8	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.026	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.8	170.8	174.1	60.5	0	0	0	108.1	A35 Y98 S101 L102 L105 Y140 A141 Y142	A35-L119 PolarHBondContact N-O 2.8Å; A35-L119 PolarHBondContact O-N 3.25Å; Y98-L119 HydrophobicContact CD1-CB 4.39Å; Y98-L119 HydrophobicContact CD1-CD2 3.62Å; Y98-L119 HydrophobicContact CD1-CG 3.83Å; Y98-L119 HydrophobicContact CE1-CD2 4.06Å; Y98-L119 HydrophobicContact CE1-CG 3.98Å; Y98-L119 HydrophobicContact CG-CD2 4.42Å; S101-L119 VanDerWaalsContact CB-CD2 3.47Å; L102-L119 HydrophobicContact CD2-CB 3.68Å; L102-L119 HydrophobicContact CG-CB 4.15Å; L105-L119 HydrophobicContact CD1-CB 4.33Å; L105-L119 HydrophobicContact CD1-CD1 3.7Å; L105-L119 HydrophobicContact CD1-CD2 3.84Å; L105-L119 HydrophobicContact CD1-CG 4.17Å; L119-Y140 HydrophobicContact CD1-CD1 4.2Å; L119-A141 WeakPolarHBondContact CD1-O 3.09Å; L119-Y142 HydrophobicContact CB-CD2 4.38Å
120	Q	98.8	Very high	96.5	Very high	76 Å²	76	49.9 Å²	49.9	36%	0.355	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	149.4	178.4	-61.6	177.7	-82.6	0	0	109.8	D33 T34 T118 Y140 A141	D33-Q120 CarbonylContact O-C 3.59Å; D33-Q120 VanDerWaalsContact O-CA 3.25Å; D33-Q120 WeakPolarHBondContact O-CA 3.35Å; T34-Q120 HydrophobicContact CG2-CG 4.09Å; T118-Q120 HydrophobicContact CG2-CG 3.86Å; Q120-Y140 CarbonylContact O-C 3.59Å; Q120-Y140 VanDerWaalsContact O-CA 3.28Å; Q120-Y140 WeakPolarHBondContact O-CA 3.49Å; Q120-A141 HydrophobicContact CB-CB 4.47Å; Q120-A141 PolarHBondContact N-O 2.81Å; Q120-A141 PolarHBondContact O-N 2.76Å
121	S	98.7	Very high	96.2	Very high	5 Å²	5	43.4 Å²	43.4	4%	0.035	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	156.7	162.9	80.6	0	0	0	0	111.5	F32 D33 Y98 Q139	F32-S121 WeakPolarHBondContact CA-O 3.36Å; D33-S121 PolarHBondContact N-O 2.9Å; D33-S121 PolarHBondContact O-N 3.49Å; Y98-S121 VanDerWaalsContact OH-CB 3.28Å; Y98-S121 WeakPolarHBondContact OH-CB 3.25Å; Y98-S121 PolarHBondContact OH-OG 2.91Å; S121-Q139 CarbonylContact C-O 3.47Å; S121-Q139 WeakPolarHBondContact CA-O 3.34Å; S121-Q139 WeakPolarHBondContact CB-O 3.49Å
122	M	98.7	Very high	96.2	Very high	12 Å²	12	48.7 Å²	48.7	6%	0.059	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	125.5	165.9	-176.2	-76.1	-69.8	0	0	107.7	R30 Y31 F32 H137 N138 Q139	R30-M122 VanDerWaalsContact NH1-CE 3.35Å; R30-M122 PolarHBondContact NH1-SD 3.37Å; Y31-M122 WeakPolarHBondContact O-CA 3.28Å; F32-M122 HydrophobicContact CD1-CB 3.99Å; F32-M122 HydrophobicContact CD1-CG 3.76Å; F32-M122 HydrophobicContact CE1-CB 4.06Å; F32-M122 HydrophobicContact CE1-CG 3.41Å; F32-M122 VanDerWaalsContact CE1-CG 3.41Å; F32-M122 HydrophobicContact CZ-CG 3.96Å; M122-H137 HydrophobicContact CE-CB 3.72Å; M122-H137 HydrophobicContact SD-CB 3.91Å; M122-N138 WeakPolarHBondContact O-CA 3.49Å; M122-Q139 HydrophobicContact CB-CG 3.92Å; M122-Q139 VanDerWaalsContact CE-CD 3.43Å; M122-Q139 HydrophobicContact CE-CG 3.92Å; M122-Q139 PolarHBondContact N-O 3.39Å; M122-Q139 PolarHBondContact O-N 2.82Å
123	Y	98.8	Very high	96.3	Very high	44 Å²	44	47.3 Å²	47.3	17%	0.173	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	155.5	174.5	66.6	-89.6	0	0	0	110.8	R30 Y31 H137 Y183	R30-Y123 WeakPolarHBondContact CA-O 3.01Å; Y31-Y123 HydrophobicContact CD2-CD2 4.35Å; Y31-Y123 AromaticContact CD2-CE2 3.65Å; Y31-Y123 HydrophobicContact CD2-CE2 3.65Å; Y31-Y123 HydrophobicContact CG-CE1 4.49Å; Y31-Y123 AromaticContact CG-CE2 3.84Å; Y31-Y123 HydrophobicContact CG-CE2 3.84Å; Y31-Y123 AromaticContact CG-CZ 3.74Å; Y31-Y123 PolarHBondContact N-O 3.36Å; Y31-Y123 PolarHBondContact O-N 3.2Å; Y31-Y123 VanDerWaalsContact O-N 3.11Å; Y123-H137 WeakPolarHBondContact CA-O 3.45Å; Y123-H137 WeakPolarHBondContact CB-O 3.5Å; Y123-Y183 AromaticContact CD2-CE1 3.95Å; Y123-Y183 HydrophobicContact CD2-CE1 3.95Å; Y123-Y183 HydrophobicContact CE2-CE1 4.22Å
124	G	98.8	Very high	96.6	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.4	-175.6	-176.9	0	0	0	0	0	113.9	M29 H137 L184	M29-G124 CarbonylContact O-C 3.19Å; M29-G124 WeakPolarHBondContact O-CA 3.4Å; G124-H137 PolarHBondContact N-O 3.44Å; G124-H137 PolarHBondContact O-N 2.89Å; G124-L184 WeakPolarHBondContact O-CD2 3.27Å
125	C	98.8	Very high	96.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	145.5	-174.8	50.3	0	0	0	0	111.1	S28 M29 L133 R135 C188	S28-C125 CarbonylContact C-O 3.57Å; S28-C125 WeakPolarHBondContact CA-O 3.3Å; M29-C125 PolarHBondContact N-O 2.8Å; M29-C125 PolarHBondContact O-N 3.06Å; C125-L133 HydrophobicContact CB-CD1 3.52Å; C125-R135 CarbonylContact C-O 3.6Å; C125-R135 WeakPolarHBondContact CA-O 3.27Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.34Å; C125-C188 PolarHBondContact N-SG 3.49Å; C125-C188 WeakPolarHBondContact SG-CB 3.22Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.08Å
126	D	98.6	Very high	97.1	Very high	33 Å²	33	45.7 Å²	45.7	18%	0.176	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	134.3	168.1	-49.6	-30.8	0	0	0	107.8	H27 S28 R30 L134 R135 H137	H27-D126 CarbonylContact O-C 3.46Å; H27-D126 WeakPolarHBondContact O-CA 3.45Å; S28-D126 WeakPolarHBondContact CB-OD1 3.39Å; R30-D126 IonicContact CZ-OD1 3.33Å; R30-D126 IonicContact NE-OD1 2.76Å; R30-D126 PolarHBondContact NE-OD1 3.3Å; R30-D126 IonicContact NH2-OD1 2.81Å; R30-D126 PolarHBondContact NH2-OD1 3.05Å; R30-D126 IonicContact NH2-OD2 3.56Å; R30-D126 PolarHBondContact NH2-OD2 2.75Å; D126-L134 PolarHBondContact O-N 2.9Å; D126-R135 HydrophobicContact CB-CB 4.33Å; D126-R135 PolarHBondContact N-O 2.97Å; D126-R135 PolarHBondContact O-N 3.43Å; D126-H137 IonicContact OD1-CD2 3.7Å; D126-H137 IonicContact OD1-NE2 3.99Å; D126-H137 IonicContact OD2-CD2 3.48Å; D126-H137 IonicContact OD2-CE1 3.81Å; D126-H137 IonicContact OD2-NE2 3.63Å; D126-H137 PolarHBondContact OD2-NE2 2.84Å
127	V	97.9	Very high	97.2	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	147.3	178	-60.4	0	0	0	0	110.7	S26 H27 R132 V189 L192	S26-V127 VanDerWaalsContact CA-O 3.24Å; S26-V127 WeakPolarHBondContact CA-O 3.18Å; S26-V127 WeakPolarHBondContact CB-O 3.25Å; H27-V127 HydrophobicContact CB-CG2 4Å; H27-V127 PolarHBondContact N-O 3.18Å; H27-V127 PolarHBondContact O-N 2.81Å; V127-R132 CarbonylContact C-O 3.56Å; V127-R132 WeakPolarHBondContact CA-O 3.48Å; V127-R132 WeakPolarHBondContact CB-O 3.33Å; V127-V189 HydrophobicContact CG1-CB 4.43Å; V127-V189 HydrophobicContact CG1-CG1 4.03Å; V127-V189 HydrophobicContact CG1-CG2 4.01Å; V127-L192 HydrophobicContact CB-CD2 4.34Å; V127-L192 HydrophobicContact CG1-CD2 3.92Å; V127-L192 HydrophobicContact CG2-CD2 3.59Å; V127-L192 HydrophobicContact CG2-CG 4.26Å
128	G	95.6	Very high	97.2	Very high	3 Å²	3	42.4 Å²	42.4	3%	0.031	21%	0.212	C	C	.	.			trans	-86.2	-178.1	176.6	0	0	0	0	0	112.7	G25 D130 G131 R132 L134	G25-G128 CarbonylContact O-C 3.43Å; G128-D130 PolarHBondContact O-N 3.08Å; G128-D130 VanDerWaalsContact O-N 3.16Å; G128-G131 VanDerWaalsContact O-CA 3.29Å; G128-G131 WeakPolarHBondContact O-CA 3.41Å; G128-G131 PolarHBondContact O-N 2.97Å; G128-R132 PolarHBondContact N-O 3.28Å; G128-L134 VanDerWaalsContact CA-CD1 3.48Å
129	P	91.8	Very high	97.2	Very high	96 Å²	96	44.9 Å²	44.9	62%	0.623	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.8	178.7	-23.5	33.1	0	0	0	114.7	G25 G131	G25-P129 WeakPolarHBondContact O-CA 3.41Å; P129-G131 PolarHBondContact O-N 2.9Å
130	D	91.1	Very high	97.2	Very high	105 Å²	105	47 Å²	47	56%	0.561	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	4.7	173.2	66.8	-6.5	0	0	0	113	G128 R132	G128-D130 PolarHBondContact O-N 3.08Å; G128-D130 VanDerWaalsContact O-N 3.16Å; D130-R132 HydrophobicContact CB-CG 4.39Å; D130-R132 PolarHBondContact O-N 2.86Å; D130-R132 WeakPolarHBondContact OD1-CB 3.45Å; D130-R132 PolarHBondContact OD1-N 3.15Å; D130-R132 WeakPolarHBondContact OD2-CD 3.47Å; D130-R132 WeakPolarHBondContact OD2-CG 3.15Å
131	G	91.5	Very high	97.2	Very high	14 Å²	14	44.3 Å²	44.3	14%	0.144	22%	0.219	C	C	.	.	S	Bend	trans	69.7	4.5	-176.4	0	0	0	0	0	114.1	G128 P129 V189 R193	G128-G131 VanDerWaalsContact O-CA 3.29Å; G128-G131 WeakPolarHBondContact O-CA 3.41Å; G128-G131 PolarHBondContact O-N 2.97Å; P129-G131 PolarHBondContact O-N 2.9Å; G131-V189 WeakPolarHBondContact O-CG1 3.29Å; G131-R193 VanDerWaalsContact O-CZ 3.24Å; G131-R193 PolarHBondContact O-NE 2.65Å; G131-R193 PolarHBondContact O-NH2 3.47Å
132	R	95.8	Very high	97.2	Very high	170 Å²	170	44.6 Å²	44.6	64%	0.642	22%	0.22	S	C	*	.			trans	-81.8	151	-177.9	-59.6	-179.3	83.7	133.5	0.8	110.5	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.56Å; V127-R132 WeakPolarHBondContact CA-O 3.48Å; V127-R132 WeakPolarHBondContact CB-O 3.33Å; G128-R132 PolarHBondContact N-O 3.28Å; D130-R132 HydrophobicContact CB-CG 4.39Å; D130-R132 PolarHBondContact O-N 2.86Å; D130-R132 WeakPolarHBondContact OD1-CB 3.45Å; D130-R132 PolarHBondContact OD1-N 3.15Å; D130-R132 WeakPolarHBondContact OD2-CD 3.47Å; D130-R132 WeakPolarHBondContact OD2-CG 3.15Å; R132-L134 PolarHBondContact O-N 3.09Å
133	L	98	Very high	97.2	Very high	48 Å²	48	47.2 Å²	47.2	25%	0.251	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	123.7	174.5	-175.6	70.7	0	0	0	110.1	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.52Å; L133-R135 WeakPolarHBondContact CD1-O 3.35Å; L133-L154 HydrophobicContact CD2-CD1 4.09Å; L133-E185 HydrophobicContact CD2-CB 4.45Å; L133-E185 HydrophobicContact CD2-CG 3.72Å; L133-V189 HydrophobicContact CB-CG2 3.98Å; L133-V189 HydrophobicContact CD1-CG2 4Å
134	L	97.7	Very high	97.2	Very high	113 Å²	113	48 Å²	48	59%	0.592	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	-44	167.9	-66.3	177.7	0	0	0	110.8	D126 G128 R132	D126-L134 PolarHBondContact O-N 2.9Å; G128-L134 VanDerWaalsContact CA-CD1 3.48Å; R132-L134 PolarHBondContact O-N 3.09Å
135	R	98.1	Very high	97.2	Very high	95 Å²	95	55.8 Å²	55.8	36%	0.358	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	134.8	-176.4	-173.3	175.5	-176.8	112	7	111.6	C125 D126 L133 H137 E152	C125-R135 CarbonylContact C-O 3.6Å; C125-R135 WeakPolarHBondContact CA-O 3.27Å; D126-R135 HydrophobicContact CB-CB 4.33Å; D126-R135 PolarHBondContact N-O 2.97Å; D126-R135 PolarHBondContact O-N 3.43Å; L133-R135 WeakPolarHBondContact CD1-O 3.35Å; R135-H137 WeakPolarHBondContact CD-CE1 3.35Å; R135-H137 WeakPolarHBondContact CD-NE2 3.16Å; R135-H137 PolarHBondContact NE-CE1 2.61Å; R135-E152 VanDerWaalsContact CZ-CG 3.47Å; R135-E152 IonicContact CZ-OE1 2.76Å; R135-E152 IonicContact NH1-OE1 2.79Å; R135-E152 PolarHBondContact NH1-OE1 2.88Å; R135-E152 IonicContact NH1-OE2 3.21Å; R135-E152 IonicContact NH2-OE1 3.67Å; R135-E152 PolarHBondContact NH2-OE1 3.37Å
136	G	98.6	Very high	97.2	Very high	4 Å²	4	62.1 Å²	62.1	4%	0.041	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	149.1	166.8	0	0	0	0	0	111.1
137	H	98.6	Very high	97.2	Very high	20 Å²	20	61 Å²	61	9%	0.093	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	136.3	-179.3	-56	-95.2	0	0	0	109.9	R30 M122 Y123 G124 D126 R135	R30-H137 PolarHBondContact NH2-CE1 2.87Å; R30-H137 PolarHBondContact NH2-NE2 2.97Å; M122-H137 HydrophobicContact CE-CB 3.72Å; M122-H137 HydrophobicContact SD-CB 3.91Å; Y123-H137 WeakPolarHBondContact CA-O 3.45Å; Y123-H137 WeakPolarHBondContact CB-O 3.5Å; G124-H137 PolarHBondContact N-O 3.44Å; G124-H137 PolarHBondContact O-N 2.89Å; D126-H137 IonicContact OD1-CD2 3.7Å; D126-H137 IonicContact OD1-NE2 3.99Å; D126-H137 IonicContact OD2-CD2 3.48Å; D126-H137 IonicContact OD2-CE1 3.81Å; D126-H137 IonicContact OD2-NE2 3.63Å; D126-H137 PolarHBondContact OD2-NE2 2.84Å; R135-H137 WeakPolarHBondContact CD-CE1 3.35Å; R135-H137 WeakPolarHBondContact CD-NE2 3.16Å; R135-H137 PolarHBondContact NE-CE1 2.61Å
138	N	98.6	Very high	97.2	Very high	9 Å²	9	61.1 Å²	61.1	5%	0.048	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	106.6	162	-172.1	3.4	0	0	0	108.5	M122 Y140 L150 D180	M122-N138 WeakPolarHBondContact O-CA 3.49Å; N138-Y140 WeakPolarHBondContact OD1-CE2 3.24Å; N138-L150 HydrophobicContact CB-CB 3.98Å; N138-L150 HydrophobicContact CB-CD2 4.14Å; N138-L150 WeakPolarHBondContact O-CB 3.48Å; N138-L150 PolarHBondContact O-N 3.21Å; N138-D180 VanDerWaalsContact ND2-CG 3.32Å; N138-D180 PolarHBondContact ND2-OD2 3.36Å
139	Q	98.7	Very high	97.4	Very high	89 Å²	89	62.4 Å²	62.4	42%	0.416	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	145.2	-175.8	65.3	-172.9	19	0	0	111.5	S121 M122 A149	S121-Q139 CarbonylContact C-O 3.47Å; S121-Q139 WeakPolarHBondContact CA-O 3.34Å; S121-Q139 WeakPolarHBondContact CB-O 3.49Å; M122-Q139 HydrophobicContact CB-CG 3.92Å; M122-Q139 VanDerWaalsContact CE-CD 3.43Å; M122-Q139 HydrophobicContact CE-CG 3.92Å; M122-Q139 PolarHBondContact N-O 3.39Å; M122-Q139 PolarHBondContact O-N 2.82Å; Q139-A149 HydrophobicContact CB-CB 3.92Å
140	Y	98.9	Very high	97.7	Very high	49 Å²	49	58.5 Å²	58.5	19%	0.192	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	142.6	-178.9	-67.5	-98.5	0	0	0	110.8	L119 Q120 N138 Y147 I148 W171	L119-Y140 HydrophobicContact CD1-CD1 4.2Å; Q120-Y140 CarbonylContact O-C 3.59Å; Q120-Y140 VanDerWaalsContact O-CA 3.28Å; Q120-Y140 WeakPolarHBondContact O-CA 3.49Å; N138-Y140 WeakPolarHBondContact OD1-CE2 3.24Å; Y140-Y147 WeakPolarHBondContact O-CB 3.44Å; Y140-Y147 PolarHBondContact O-N 3.41Å; Y140-I148 HydrophobicContact CD2-CG2 4.06Å; Y140-I148 HydrophobicContact CG-CG2 4.41Å; Y140-I148 PolarHBondContact N-O 2.82Å; Y140-I148 PolarHBondContact O-N 3.41Å; Y140-W171 AromaticContact CD2-CH2 3.82Å; Y140-W171 HydrophobicContact CD2-CH2 3.82Å; Y140-W171 HydrophobicContact CD2-CZ3 4.23Å; Y140-W171 AromaticContact CE2-CH2 3.44Å; Y140-W171 HydrophobicContact CE2-CH2 3.44Å; Y140-W171 VanDerWaalsContact CE2-CH2 3.44Å; Y140-W171 AromaticContact CE2-CZ3 3.99Å; Y140-W171 HydrophobicContact CE2-CZ3 3.99Å; Y140-W171 AromaticContact CZ-CH2 3.92Å
141	A	98.9	Very high	98.1	Very high	19 Å²	19	55.6 Å²	55.6	16%	0.157	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	143.1	172.9	0	0	0	0	0	110.5	L119 Q120 K145	L119-A141 WeakPolarHBondContact CD1-O 3.09Å; Q120-A141 HydrophobicContact CB-CB 4.47Å; Q120-A141 PolarHBondContact N-O 2.81Å; Q120-A141 PolarHBondContact O-N 2.76Å; A141-K145 CarbonylContact C-O 3.59Å; A141-K145 WeakPolarHBondContact CA-O 2.98Å; A141-K145 VanDerWaalsContact CB-O 3.31Å; A141-K145 WeakPolarHBondContact CB-O 3.38Å
142	Y	98.8	Very high	98.4	Very high	11 Å²	11	61.5 Å²	61.5	4%	0.043	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	126.7	176.8	-172.9	-123.1	0	0	0	110.3	L102 L105 Y109 Q111 H117 T118 L119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.02Å; L105-Y142 HydrophobicContact CB-CD1 4.37Å; L105-Y142 HydrophobicContact CB-CD2 4.23Å; L105-Y142 HydrophobicContact CB-CE1 3.98Å; L105-Y142 HydrophobicContact CB-CE2 3.85Å; L105-Y142 HydrophobicContact CB-CG 4.47Å; L105-Y142 HydrophobicContact CD1-CD2 3.59Å; L105-Y142 HydrophobicContact CD1-CE2 3.89Å; L105-Y142 HydrophobicContact CD1-CG 4.03Å; L105-Y142 HydrophobicContact CG-CD2 4.42Å; L105-Y142 HydrophobicContact CG-CE2 4.48Å; Y109-Y142 AromaticContact CD2-CD1 3.7Å; Y109-Y142 HydrophobicContact CD2-CD1 3.7Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.51Å; Y109-Y142 HydrophobicContact CE2-CD1 3.51Å; Y109-Y142 AromaticContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CG-CE1 4.38Å; Q111-Y142 PolarHBondContact OE1-OH 2.86Å; H117-Y142 HydrophobicContact CB-CE2 3.82Å; H117-Y142 WeakPolarHBondContact CB-OH 3.37Å; H117-Y142 VanDerWaalsContact CG-OH 3.23Å; H117-Y142 AromaticContact ND1-CZ 3.98Å; H117-Y142 PolarHBondContact ND1-OH 3.3Å; T118-Y142 WeakPolarHBondContact O-CA 3.33Å; T118-Y142 VanDerWaalsContact O-CD2 3.31Å; T118-Y142 WeakPolarHBondContact O-CD2 3.31Å; L119-Y142 HydrophobicContact CB-CD2 4.38Å; Y142-G144 PolarHBondContact O-N 3.45Å; Y142-K145 PolarHBondContact N-O 3.11Å; Y142-K145 PolarHBondContact O-N 3.2Å; Y142-K145 VanDerWaalsContact O-N 3.08Å
143	D	98.4	Very high	98.5	Very high	67 Å²	67	57.2 Å²	57.2	36%	0.358	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	39.9	-174.6	-65.8	-22.1	0	0	0	113.2	H117 T118 K145	H117-D143 WeakPolarHBondContact CA-OD1 3.49Å; H117-D143 IonicContact CE1-OD2 2.98Å; H117-D143 IonicContact CG-OD1 3.18Å; H117-D143 IonicContact CG-OD2 2.65Å; H117-D143 IonicContact ND1-OD1 3.83Å; H117-D143 IonicContact ND1-OD2 3.61Å; H117-D143 PolarHBondContact ND1-OD2 3.39Å; T118-D143 PolarHBondContact N-OD1 2.85Å; T118-D143 PolarHBondContact O-N 2.84Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 3.15Å
144	G	97.7	Very high	98.5	Very high	62 Å²	62	55.4 Å²	55.4	64%	0.639	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	9.5	177.2	0	0	0	0	0	115.2	Y142	Y142-G144 PolarHBondContact O-N 3.45Å
145	K	98.6	Very high	98.6	Very high	162 Å²	162	57.4 Å²	57.4	70%	0.704	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.5	147.4	176	-61.1	-177.8	-177.4	178.1	0	110.7	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.59Å; A141-K145 WeakPolarHBondContact CA-O 2.98Å; A141-K145 VanDerWaalsContact CB-O 3.31Å; A141-K145 WeakPolarHBondContact CB-O 3.38Å; Y142-K145 PolarHBondContact N-O 3.11Å; Y142-K145 PolarHBondContact O-N 3.2Å; Y142-K145 VanDerWaalsContact O-N 3.08Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 3.15Å; K145-Y147 PolarHBondContact O-N 3.17Å
146	D	98.8	Very high	98.6	Very high	134 Å²	134	54.8 Å²	54.8	72%	0.717	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.1	137.2	174	-64.3	-13.7	0	0	0	110.6	A160	D146-A160 HydrophobicContact CB-CB 4.26Å; D146-A160 WeakPolarHBondContact O-CB 3.25Å
147	Y	98.8	Very high	98.6	Very high	9 Å²	9	55 Å²	55	4%	0.035	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-65.5	178.7	-179.3	-110.4	0	0	0	110.5	L105 Y109 Y140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.34Å; L105-Y147 HydrophobicContact CD2-CD2 4.09Å; L105-Y147 HydrophobicContact CD2-CE1 3.78Å; L105-Y147 HydrophobicContact CD2-CE2 3.46Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.46Å; L105-Y147 HydrophobicContact CD2-CG 4.49Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.4Å; Y109-Y147 HydrophobicContact CE2-CD2 4.32Å; Y109-Y147 HydrophobicContact CE2-CE2 4.02Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.35Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.32Å; Y140-Y147 WeakPolarHBondContact O-CB 3.44Å; Y140-Y147 PolarHBondContact O-N 3.41Å; K145-Y147 PolarHBondContact O-N 3.17Å; Y147-A160 WeakPolarHBondContact O-CB 3.33Å; Y147-A160 PolarHBondContact O-N 3.04Å; Y147-A163 PolarHBondContact OH-O 3.48Å; Y147-A164 HydrophobicContact CD2-CB 3.81Å; Y147-A164 HydrophobicContact CE1-CB 4.49Å; Y147-A164 VanDerWaalsContact CE2-CA 3.49Å; Y147-A164 HydrophobicContact CE2-CB 3.69Å; Y147-A164 HydrophobicContact CG-CB 4.28Å; Y147-A164 WeakPolarHBondContact O-CB 3.48Å; Y147-T167 HydrophobicContact CE1-CG2 4.23Å; Y147-T167 PolarHBondContact OH-OG1 2.79Å
148	I	98.9	Very high	98.6	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.021	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	141.6	178.3	-162.7	173.6	0	0	0	110.3	Y140 W157 T158 T167 Q168 W171	Y140-I148 HydrophobicContact CD2-CG2 4.06Å; Y140-I148 HydrophobicContact CG-CG2 4.41Å; Y140-I148 PolarHBondContact N-O 2.82Å; Y140-I148 PolarHBondContact O-N 3.41Å; I148-W157 HydrophobicContact CD1-CB 4.07Å; I148-W157 HydrophobicContact CD1-CD2 4.34Å; I148-W157 HydrophobicContact CD1-CE3 4.18Å; I148-W157 HydrophobicContact CD1-CG 4.31Å; I148-W157 HydrophobicContact CG1-CB 4.18Å; I148-W157 HydrophobicContact CG1-CE3 3.99Å; I148-T158 WeakPolarHBondContact CA-O 3.35Å; I148-T158 WeakPolarHBondContact CG1-O 3.46Å; I148-T167 HydrophobicContact CD1-CG2 4.06Å; I148-T167 HydrophobicContact CG2-CG2 4.48Å; I148-Q168 HydrophobicContact CD1-CB 3.87Å; I148-W171 HydrophobicContact CD1-CE3 4.17Å; I148-W171 HydrophobicContact CD1-CZ3 4.42Å; I148-W171 HydrophobicContact CG2-CH2 4.13Å; I148-W171 HydrophobicContact CG2-CZ3 3.79Å
149	A	98.9	Very high	98.6	Very high	30 Å²	30	58.3 Å²	58.3	25%	0.248	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	139.6	179	0	0	0	0	0	111.8	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.92Å; A149-W157 VanDerWaalsContact C-CE3 3.46Å; A149-W157 CarbonylContact O-C 3.5Å; A149-W157 WeakPolarHBondContact O-CA 3.45Å; A149-T158 PolarHBondContact N-O 2.92Å; A149-T158 PolarHBondContact O-N 3.2Å
150	L	98.9	Very high	98.6	Very high	14 Å²	14	57 Å²	57	7%	0.073	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	128.6	170.4	-175.8	64.4	0	0	0	108.6	N138 L154 W157 A177 D180 L184	N138-L150 HydrophobicContact CB-CB 3.98Å; N138-L150 HydrophobicContact CB-CD2 4.14Å; N138-L150 WeakPolarHBondContact O-CB 3.48Å; N138-L150 PolarHBondContact O-N 3.21Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.24Å; L150-W157 HydrophobicContact CB-CE3 3.98Å; L150-W157 HydrophobicContact CB-CH2 3.95Å; L150-W157 HydrophobicContact CB-CZ3 3.6Å; L150-W157 HydrophobicContact CD1-CD2 4.2Å; L150-W157 HydrophobicContact CD1-CE3 4.38Å; L150-W157 HydrophobicContact CD1-CH2 4.07Å; L150-W157 HydrophobicContact CD1-CZ2 3.87Å; L150-W157 HydrophobicContact CD1-CZ3 4.31Å; L150-W157 HydrophobicContact CG-CH2 4.48Å; L150-W157 VanDerWaalsContact N-CE3 3.35Å; L150-A177 HydrophobicContact CD1-CB 3.9Å; L150-D180 HydrophobicContact CD2-CB 4.03Å; L150-L184 HydrophobicContact CD2-CD1 3.81Å
151	N	98.8	Very high	98.6	Very high	45 Å²	45	57.1 Å²	57.1	24%	0.241	32%	0.318	C	S	.	.			trans	-74.1	163.6	179.6	-66.9	-29	0	0	0	111.1	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.32Å; N151-D153 VanDerWaalsContact O-N 3.09Å; N151-L154 WeakPolarHBondContact O-CA 3.17Å; N151-L154 PolarHBondContact O-N 3.24Å; N151-S156 WeakPolarHBondContact CB-O 3.28Å; N151-S156 WeakPolarHBondContact CB-OG 3.13Å; N151-S156 PolarHBondContact N-O 3.38Å; N151-S156 PolarHBondContact ND2-O 3.37Å; N151-S156 PolarHBondContact ND2-OG 3.49Å; N151-T158 PolarHBondContact ND2-OG1 3.26Å; N151-T158 WeakPolarHBondContact OD1-CB 3.15Å; N151-T158 PolarHBondContact OD1-OG1 3.47Å
152	E	98.1	Very high	98.5	Very high	137 Å²	137	61.5 Å²	61.5	64%	0.64	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.1	-179.7	-68	177	-160.2	0	0	113.9	R135 L154	R135-E152 VanDerWaalsContact CZ-CG 3.47Å; R135-E152 IonicContact CZ-OE1 2.76Å; R135-E152 IonicContact NH1-OE1 2.79Å; R135-E152 PolarHBondContact NH1-OE1 2.88Å; R135-E152 IonicContact NH1-OE2 3.21Å; R135-E152 IonicContact NH2-OE1 3.67Å; R135-E152 PolarHBondContact NH2-OE1 3.37Å; E152-L154 PolarHBondContact O-N 3.19Å
153	D	98.1	Very high	98.5	Very high	80 Å²	80	61.3 Å²	61.3	43%	0.428	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-8.2	174.4	69.3	4.5	0	0	0	113.5	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.32Å; N151-D153 VanDerWaalsContact O-N 3.09Å; D153-R155 VanDerWaalsContact O-CG 3.29Å; D153-R155 WeakPolarHBondContact O-CG 3.36Å; D153-R155 PolarHBondContact O-N 3.23Å; D153-R155 PolarHBondContact OD1-N 3.31Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.86Å; D153-S156 PolarHBondContact OD1-OG 2.85Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.39Å; D153-S156 PolarHBondContact OD2-OG 3.12Å
154	L	98.5	Very high	98.5	Very high	10 Å²	10	58.1 Å²	58.1	5%	0.052	33%	0.326	C	S	.	.	S	Bend	trans	52.8	29.9	-175.3	-53.6	-177.7	0	0	0	113.3	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.09Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.24Å; N151-L154 WeakPolarHBondContact O-CA 3.17Å; N151-L154 PolarHBondContact O-N 3.24Å; E152-L154 PolarHBondContact O-N 3.19Å; L154-R181 HydrophobicContact CB-CB 4.07Å; L154-R181 HydrophobicContact CB-CG 3.88Å; L154-R181 HydrophobicContact CD1-CG 4.16Å; L154-L184 HydrophobicContact CD2-CD1 3.95Å; L154-E185 HydrophobicContact CD1-CG 4.32Å
155	R	98.2	Very high	98.6	Very high	156 Å²	156	58.7 Å²	58.7	59%	0.589	31%	0.312	S	S	*	.	S	Bend	trans	-137	-30.7	-173.5	-71	168.9	-172	-85	10.2	112.8	D153	D153-R155 VanDerWaalsContact O-CG 3.29Å; D153-R155 WeakPolarHBondContact O-CG 3.36Å; D153-R155 PolarHBondContact O-N 3.23Å; D153-R155 PolarHBondContact OD1-N 3.31Å
156	S	98.4	Very high	98.6	Very high	39 Å²	39	53.9 Å²	53.9	27%	0.273	29%	0.294	S	S	.	.			trans	-117.8	162.4	-177.9	64.3	0	0	0	0	111.7	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.28Å; N151-S156 WeakPolarHBondContact CB-OG 3.13Å; N151-S156 PolarHBondContact N-O 3.38Å; N151-S156 PolarHBondContact ND2-O 3.37Å; N151-S156 PolarHBondContact ND2-OG 3.49Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.86Å; D153-S156 PolarHBondContact OD1-OG 2.85Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.39Å; D153-S156 PolarHBondContact OD2-OG 3.12Å
157	W	98.8	Very high	98.5	Very high	9 Å²	9	48.2 Å²	48.2	3%	0.034	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	146.1	-177.8	-62.1	90.8	0	0	0	110.7	I148 A149 L150 Q168 W171 V176 A177 D180	I148-W157 HydrophobicContact CD1-CB 4.07Å; I148-W157 HydrophobicContact CD1-CD2 4.34Å; I148-W157 HydrophobicContact CD1-CE3 4.18Å; I148-W157 HydrophobicContact CD1-CG 4.31Å; I148-W157 HydrophobicContact CG1-CB 4.18Å; I148-W157 HydrophobicContact CG1-CE3 3.99Å; A149-W157 VanDerWaalsContact C-CE3 3.46Å; A149-W157 CarbonylContact O-C 3.5Å; A149-W157 WeakPolarHBondContact O-CA 3.45Å; L150-W157 HydrophobicContact CB-CE3 3.98Å; L150-W157 HydrophobicContact CB-CH2 3.95Å; L150-W157 HydrophobicContact CB-CZ3 3.6Å; L150-W157 HydrophobicContact CD1-CD2 4.2Å; L150-W157 HydrophobicContact CD1-CE3 4.38Å; L150-W157 HydrophobicContact CD1-CH2 4.07Å; L150-W157 HydrophobicContact CD1-CZ2 3.87Å; L150-W157 HydrophobicContact CD1-CZ3 4.31Å; L150-W157 HydrophobicContact CG-CH2 4.48Å; L150-W157 VanDerWaalsContact N-CE3 3.35Å; W157-Q168 HydrophobicContact CB-CG 4.19Å; W157-Q168 PolarHBondContact O-NE2 2.9Å; W157-W171 AromaticContact CD2-CE3 3.91Å; W157-W171 HydrophobicContact CD2-CE3 3.91Å; W157-W171 HydrophobicContact CD2-CZ3 4.4Å; W157-W171 AromaticContact CE2-CE3 3.7Å; W157-W171 AromaticContact CE3-CE3 3.87Å; W157-W171 HydrophobicContact CE3-CE3 3.87Å; W157-W171 AromaticContact CE3-CZ3 3.89Å; W157-W171 HydrophobicContact CE3-CZ3 3.89Å; W157-W171 AromaticContact CH2-CE3 3.46Å; W157-W171 HydrophobicContact CH2-CE3 3.46Å; W157-W171 VanDerWaalsContact CH2-CE3 3.46Å; W157-W171 AromaticContact CH2-CZ3 3.36Å; W157-W171 HydrophobicContact CH2-CZ3 3.36Å; W157-W171 HydrophobicContact CZ2-CD2 4.46Å; W157-W171 AromaticContact CZ2-CE3 3.49Å; W157-W171 HydrophobicContact CZ2-CE3 3.49Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.49Å; W157-W171 AromaticContact CZ2-CZ3 3.92Å; W157-W171 HydrophobicContact CZ2-CZ3 3.92Å; W157-W171 AromaticContact CZ3-CE3 3.67Å; W157-W171 HydrophobicContact CZ3-CE3 3.67Å; W157-W171 AromaticContact CZ3-CZ3 3.36Å; W157-W171 HydrophobicContact CZ3-CZ3 3.36Å; W157-V176 HydrophobicContact CZ2-CB 4.43Å; W157-V176 HydrophobicContact CZ2-CG1 4.11Å; W157-A177 HydrophobicContact CZ2-CB 4.31Å; W157-D180 VanDerWaalsContact CH2-OD2 3.23Å; W157-D180 WeakPolarHBondContact CH2-OD2 3.15Å
158	T	98.8	Very high	98.5	Very high	78 Å²	78	49.6 Å²	49.6	48%	0.479	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	116.1	165.8	-66.2	0	0	0	0	108.9	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.35Å; I148-T158 WeakPolarHBondContact CG1-O 3.46Å; A149-T158 PolarHBondContact N-O 2.92Å; A149-T158 PolarHBondContact O-N 3.2Å; N151-T158 PolarHBondContact ND2-OG1 3.26Å; N151-T158 WeakPolarHBondContact OD1-CB 3.15Å; N151-T158 PolarHBondContact OD1-OG1 3.47Å
159	A	98.8	Very high	98.5	Very high	21 Å²	21	57 Å²	57	17%	0.174	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	132.3	174.8	0	0	0	0	0	110.5	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.74Å; A159-Q165 HydrophobicContact CB-CG 3.94Å; A159-Q168 HydrophobicContact CB-CB 4.36Å
160	A	98.6	Very high	98.5	Very high	60 Å²	60	61.1 Å²	61.1	50%	0.496	31%	0.311	S	S	.	.	S	Bend	trans	-76.3	-30.6	-175.9	0	0	0	0	0	113.5	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.26Å; D146-A160 WeakPolarHBondContact O-CB 3.25Å; Y147-A160 WeakPolarHBondContact O-CB 3.33Å; Y147-A160 PolarHBondContact O-N 3.04Å
161	D	98.5	Very high	98.5	Very high	53 Å²	53	63.1 Å²	63.1	28%	0.283	32%	0.318	S	S	.	.	S	Bend	trans	-149.9	-176.3	-178.8	68	28.1	0	0	0	113	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.24Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.4Å; Y109-D161 VanDerWaalsContact OH-CG 3.27Å; Y109-D161 PolarHBondContact OH-OD1 2.85Å; Y109-D161 PolarHBondContact OH-OD2 3.39Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.94Å; D161-A163 WeakPolarHBondContact OD1-CA 3.4Å; D161-A163 WeakPolarHBondContact OD1-CB 3.44Å; D161-A163 PolarHBondContact OD1-N 3.33Å; D161-A164 PolarHBondContact O-N 2.83Å; D161-A164 PolarHBondContact OD1-N 3.11Å; D161-Q165 WeakPolarHBondContact O-CG 3.29Å; D161-Q165 PolarHBondContact O-N 3.35Å
162	T	98.3	Very high	98.5	Very high	111 Å²	111	65.5 Å²	65.5	68%	0.681	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-27.8	-179.2	52.1	0	0	0	0	113.8
163	A	98.1	Very high	98.5	Very high	6 Å²	6	63.1 Å²	63.1	5%	0.05	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-43.5	175.1	0	0	0	0	0	110	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.18Å; Y109-A163 HydrophobicContact CD2-CB 4.42Å; Y109-A163 HydrophobicContact CE1-CB 3.65Å; Y109-A163 HydrophobicContact CE2-CB 3.91Å; Y147-A163 PolarHBondContact OH-O 3.48Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.94Å; D161-A163 WeakPolarHBondContact OD1-CA 3.4Å; D161-A163 WeakPolarHBondContact OD1-CB 3.44Å; D161-A163 PolarHBondContact OD1-N 3.33Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 3.41Å; A163-I166 VanDerWaalsContact O-CB 3.23Å; A163-I166 WeakPolarHBondContact O-CB 3.38Å; A163-I166 PolarHBondContact O-N 2.99Å
164	A	98.6	Very high	98.5	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60.2	-33.6	173.9	0	0	0	0	0	113.2	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.81Å; Y147-A164 HydrophobicContact CE1-CB 4.49Å; Y147-A164 VanDerWaalsContact CE2-CA 3.49Å; Y147-A164 HydrophobicContact CE2-CB 3.69Å; Y147-A164 HydrophobicContact CG-CB 4.28Å; Y147-A164 WeakPolarHBondContact O-CB 3.48Å; A159-A164 HydrophobicContact CB-CB 3.74Å; D161-A164 PolarHBondContact O-N 2.83Å; D161-A164 PolarHBondContact OD1-N 3.11Å; A164-I166 PolarHBondContact O-N 2.95Å; A164-T167 WeakPolarHBondContact O-CB 3.18Å; A164-T167 PolarHBondContact O-N 2.99Å; A164-Q168 PolarHBondContact O-N 3.32Å
165	Q	98.8	Very high	98.5	Very high	74 Å²	74	69.1 Å²	69.1	35%	0.346	36%	0.36	S	S	.	.	H	α-helix	trans	-60.8	-26.5	173.3	-73.2	174.7	8.9	0	0	113.1	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.94Å; D161-Q165 WeakPolarHBondContact O-CG 3.29Å; D161-Q165 PolarHBondContact O-N 3.35Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 3.41Å; Q165-R169 WeakPolarHBondContact O-CG 3.46Å; Q165-R169 PolarHBondContact O-N 2.85Å; Q165-R169 VanDerWaalsContact O-N 3.14Å
166	I	98.4	Very high	98.5	Very high	62 Å²	62	62.9 Å²	62.9	32%	0.318	34%	0.339	S	S	.	.	H	α-helix	trans	-66.3	-45.1	173.5	-57	171.2	0	0	0	109.6	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.19Å; Y108-I166 HydrophobicContact CE1-CG2 4.03Å; Y108-I166 HydrophobicContact CE2-CB 4.37Å; Y108-I166 HydrophobicContact CE2-CG2 4.22Å; Y108-I166 HydrophobicContact CG-CD1 4.26Å; A163-I166 VanDerWaalsContact O-CB 3.23Å; A163-I166 WeakPolarHBondContact O-CB 3.38Å; A163-I166 PolarHBondContact O-N 2.99Å; A164-I166 PolarHBondContact O-N 2.95Å; I166-K170 WeakPolarHBondContact O-CG 3.4Å; I166-K170 PolarHBondContact O-N 2.83Å
167	T	98.4	Very high	98.5	Very high	14 Å²	14	61.4 Å²	61.4	9%	0.086	33%	0.329	C	S	.	.	H	α-helix	trans	-63.9	-46.8	174.8	-70.1	0	0	0	0	111.1	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.23Å; Y147-T167 PolarHBondContact OH-OG1 2.79Å; I148-T167 HydrophobicContact CD1-CG2 4.06Å; I148-T167 HydrophobicContact CG2-CG2 4.48Å; A164-T167 WeakPolarHBondContact O-CB 3.18Å; A164-T167 PolarHBondContact O-N 2.99Å; T167-R169 PolarHBondContact O-N 3.47Å; T167-K170 WeakPolarHBondContact O-CB 3.13Å; T167-K170 PolarHBondContact O-N 2.65Å; T167-K170 VanDerWaalsContact O-N 3.1Å; T167-W171 HydrophobicContact CG2-CD2 3.63Å; T167-W171 VanDerWaalsContact CG2-CE2 3.48Å; T167-W171 HydrophobicContact CG2-CE3 4.08Å; T167-W171 HydrophobicContact CG2-CG 4.03Å; T167-W171 HydrophobicContact CG2-CH2 4.24Å; T167-W171 HydrophobicContact CG2-CZ2 3.83Å; T167-W171 HydrophobicContact CG2-CZ3 4.35Å; T167-W171 WeakPolarHBondContact O-CB 3.36Å; T167-W171 PolarHBondContact O-N 3.26Å
168	Q	98.8	Very high	98.5	Very high	39 Å²	39	66.1 Å²	66.1	18%	0.182	35%	0.351	C	S	.	.	H	α-helix	trans	-51	-53.1	178.7	176.9	173.6	16.9	0	0	111.8	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.87Å; W157-Q168 HydrophobicContact CB-CG 4.19Å; W157-Q168 PolarHBondContact O-NE2 2.9Å; A159-Q168 HydrophobicContact CB-CB 4.36Å; A164-Q168 PolarHBondContact O-N 3.32Å; Q168-K170 VanDerWaalsContact C-N 3.3Å; Q168-K170 PolarHBondContact O-N 3.21Å; Q168-W171 PolarHBondContact O-N 3.26Å; Q168-W171 VanDerWaalsContact O-N 3.14Å; Q168-E172 HydrophobicContact CG-CG 4.31Å; Q168-E172 VanDerWaalsContact CG-OE1 3.22Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.46Å; Q168-E172 PolarHBondContact NE2-OE1 3.19Å; Q168-E172 WeakPolarHBondContact O-CB 3.23Å; Q168-E172 WeakPolarHBondContact O-CG 3.48Å; Q168-E172 PolarHBondContact O-N 3.13Å
169	R	98.8	Very high	98.5	Very high	160 Å²	160	68.4 Å²	68.4	60%	0.604	36%	0.357	S	S	*	.	H	α-helix	trans	-60.7	-38.6	-179.4	-68	171.2	-166.6	157.8	7.9	112.6	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.46Å; Q165-R169 PolarHBondContact O-N 2.85Å; Q165-R169 VanDerWaalsContact O-N 3.14Å; T167-R169 PolarHBondContact O-N 3.47Å; R169-A173 WeakPolarHBondContact O-CB 3.45Å; R169-A173 PolarHBondContact O-N 3.31Å; R169-A173 VanDerWaalsContact O-N 3.07Å
170	K	98.3	Very high	98.5	Very high	115 Å²	115	69 Å²	69	50%	0.5	36%	0.357	S	S	.	.	H	α-helix	trans	-65.5	-43.8	176.3	-73	177.8	176.3	-175.9	0	111.2	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 2.65Å; I166-K170 WeakPolarHBondContact O-CG 3.4Å; I166-K170 PolarHBondContact O-N 2.83Å; T167-K170 WeakPolarHBondContact O-CB 3.13Å; T167-K170 PolarHBondContact O-N 2.65Å; T167-K170 VanDerWaalsContact O-N 3.1Å; Q168-K170 VanDerWaalsContact C-N 3.3Å; Q168-K170 PolarHBondContact O-N 3.21Å; K170-A173 PolarHBondContact O-N 2.83Å; K170-A174 WeakPolarHBondContact O-CB 3.23Å; K170-A174 PolarHBondContact O-N 3.11Å
171	W	98.6	Very high	98.4	Very high	57 Å²	57	69.3 Å²	69.3	22%	0.216	35%	0.345	C	S	.	.	H	α-helix	trans	-71.3	-37.2	-178.2	-76	8.4	0	0	0	112.7	Y140 I148 W157 T167 Q168 A174 R175 V176	Y140-W171 AromaticContact CD2-CH2 3.82Å; Y140-W171 HydrophobicContact CD2-CH2 3.82Å; Y140-W171 HydrophobicContact CD2-CZ3 4.23Å; Y140-W171 AromaticContact CE2-CH2 3.44Å; Y140-W171 HydrophobicContact CE2-CH2 3.44Å; Y140-W171 VanDerWaalsContact CE2-CH2 3.44Å; Y140-W171 AromaticContact CE2-CZ3 3.99Å; Y140-W171 HydrophobicContact CE2-CZ3 3.99Å; Y140-W171 AromaticContact CZ-CH2 3.92Å; I148-W171 HydrophobicContact CD1-CE3 4.17Å; I148-W171 HydrophobicContact CD1-CZ3 4.42Å; I148-W171 HydrophobicContact CG2-CH2 4.13Å; I148-W171 HydrophobicContact CG2-CZ3 3.79Å; W157-W171 AromaticContact CD2-CE3 3.91Å; W157-W171 HydrophobicContact CD2-CE3 3.91Å; W157-W171 HydrophobicContact CD2-CZ3 4.4Å; W157-W171 AromaticContact CE2-CE3 3.7Å; W157-W171 AromaticContact CE3-CE3 3.87Å; W157-W171 HydrophobicContact CE3-CE3 3.87Å; W157-W171 AromaticContact CE3-CZ3 3.89Å; W157-W171 HydrophobicContact CE3-CZ3 3.89Å; W157-W171 AromaticContact CH2-CE3 3.46Å; W157-W171 HydrophobicContact CH2-CE3 3.46Å; W157-W171 VanDerWaalsContact CH2-CE3 3.46Å; W157-W171 AromaticContact CH2-CZ3 3.36Å; W157-W171 HydrophobicContact CH2-CZ3 3.36Å; W157-W171 HydrophobicContact CZ2-CD2 4.46Å; W157-W171 AromaticContact CZ2-CE3 3.49Å; W157-W171 HydrophobicContact CZ2-CE3 3.49Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.49Å; W157-W171 AromaticContact CZ2-CZ3 3.92Å; W157-W171 HydrophobicContact CZ2-CZ3 3.92Å; W157-W171 AromaticContact CZ3-CE3 3.67Å; W157-W171 HydrophobicContact CZ3-CE3 3.67Å; W157-W171 AromaticContact CZ3-CZ3 3.36Å; W157-W171 HydrophobicContact CZ3-CZ3 3.36Å; T167-W171 HydrophobicContact CG2-CD2 3.63Å; T167-W171 VanDerWaalsContact CG2-CE2 3.48Å; T167-W171 HydrophobicContact CG2-CE3 4.08Å; T167-W171 HydrophobicContact CG2-CG 4.03Å; T167-W171 HydrophobicContact CG2-CH2 4.24Å; T167-W171 HydrophobicContact CG2-CZ2 3.83Å; T167-W171 HydrophobicContact CG2-CZ3 4.35Å; T167-W171 WeakPolarHBondContact O-CB 3.36Å; T167-W171 PolarHBondContact O-N 3.26Å; Q168-W171 PolarHBondContact O-N 3.26Å; Q168-W171 VanDerWaalsContact O-N 3.14Å; W171-A174 CarbonylContact O-C 3.58Å; W171-A174 PolarHBondContact O-N 2.88Å; W171-R175 WeakPolarHBondContact O-CA 3.27Å; W171-R175 PolarHBondContact O-N 2.84Å; W171-V176 HydrophobicContact CB-CB 3.95Å; W171-V176 HydrophobicContact CB-CG2 3.87Å; W171-V176 HydrophobicContact CD2-CB 4.43Å; W171-V176 HydrophobicContact CD2-CG1 4.26Å; W171-V176 HydrophobicContact CD2-CG2 4.46Å; W171-V176 HydrophobicContact CE3-CG1 4.47Å; W171-V176 HydrophobicContact CG-CB 4.07Å; W171-V176 HydrophobicContact CG-CG1 4.39Å; W171-V176 HydrophobicContact CG-CG2 3.8Å; W171-V176 PolarHBondContact O-N 3.19Å
172	E	98.7	Very high	98.5	Very high	94 Å²	94	70 Å²	70	44%	0.439	36%	0.358	S	S	.	.	H	α-helix	trans	-63.4	-46.6	171.7	-72.8	169.5	174.1	0	0	111	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.31Å; Q168-E172 VanDerWaalsContact CG-OE1 3.22Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.46Å; Q168-E172 PolarHBondContact NE2-OE1 3.19Å; Q168-E172 WeakPolarHBondContact O-CB 3.23Å; Q168-E172 WeakPolarHBondContact O-CG 3.48Å; Q168-E172 PolarHBondContact O-N 3.13Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 2.83Å; E172-R175 PolarHBondContact O-N 3.04Å; E172-R175 VanDerWaalsContact O-N 3.12Å
173	A	98.6	Very high	98.5	Very high	87 Å²	87	67.9 Å²	67.9	72%	0.719	34%	0.338	S	S	*	.	H	α-helix	trans	-62	-35.9	177	0	0	0	0	0	112.8	R169 K170	R169-A173 WeakPolarHBondContact O-CB 3.45Å; R169-A173 PolarHBondContact O-N 3.31Å; R169-A173 VanDerWaalsContact O-N 3.07Å; K170-A173 PolarHBondContact O-N 2.83Å
174	A	98.3	Very high	98.5	Very high	60 Å²	60	67.7 Å²	67.7	50%	0.496	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	1.4	177.6	0	0	0	0	0	114.1	K170 W171 E172 V176	K170-A174 WeakPolarHBondContact O-CB 3.23Å; K170-A174 PolarHBondContact O-N 3.11Å; W171-A174 CarbonylContact O-C 3.58Å; W171-A174 PolarHBondContact O-N 2.88Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 2.83Å; A174-V176 VanDerWaalsContact C-N 3.27Å; A174-V176 HydrophobicContact CB-CG2 4.07Å; A174-V176 PolarHBondContact O-N 3.3Å
175	R	98.2	Very high	98.5	Very high	157 Å²	157	72.2 Å²	72.2	59%	0.592	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	40.1	-178.2	-59.4	174.9	172.3	-131	7.7	113.7	W171 E172 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.27Å; W171-R175 PolarHBondContact O-N 2.84Å; E172-R175 PolarHBondContact O-N 3.04Å; E172-R175 VanDerWaalsContact O-N 3.12Å; R175-A177 PolarHBondContact O-N 3.19Å; R175-E178 HydrophobicContact CB-CB 4.49Å; R175-E178 HydrophobicContact CB-CG 4.17Å; R175-E178 WeakPolarHBondContact CD-OE1 3.27Å; R175-E178 IonicContact CZ-OE1 3.71Å; R175-E178 IonicContact NE-OE1 3.88Å; R175-E178 IonicContact NH1-OE1 2.87Å; R175-E178 PolarHBondContact NH1-OE1 3.05Å; R175-E178 IonicContact NH1-OE2 3.69Å; R175-E178 WeakPolarHBondContact O-CB 3.44Å; R175-E178 PolarHBondContact O-N 3.05Å
176	V	98.5	Very high	98.5	Very high	25 Å²	25	69.6 Å²	69.6	15%	0.152	35%	0.35	C	S	.	.	H	α-helix	trans	-59.2	-36.8	-177.8	177.1	0	0	0	0	111.6	W157 W171 A174 E178 Q179 D180	W157-V176 HydrophobicContact CZ2-CB 4.43Å; W157-V176 HydrophobicContact CZ2-CG1 4.11Å; W171-V176 HydrophobicContact CB-CB 3.95Å; W171-V176 HydrophobicContact CB-CG2 3.87Å; W171-V176 HydrophobicContact CD2-CB 4.43Å; W171-V176 HydrophobicContact CD2-CG1 4.26Å; W171-V176 HydrophobicContact CD2-CG2 4.46Å; W171-V176 HydrophobicContact CE3-CG1 4.47Å; W171-V176 HydrophobicContact CG-CB 4.07Å; W171-V176 HydrophobicContact CG-CG1 4.39Å; W171-V176 HydrophobicContact CG-CG2 3.8Å; W171-V176 PolarHBondContact O-N 3.19Å; A174-V176 VanDerWaalsContact C-N 3.27Å; A174-V176 HydrophobicContact CB-CG2 4.07Å; A174-V176 PolarHBondContact O-N 3.3Å; V176-E178 PolarHBondContact O-N 3.23Å; V176-Q179 WeakPolarHBondContact O-CB 3.48Å; V176-Q179 PolarHBondContact O-N 2.87Å; V176-D180 PolarHBondContact O-N 3.38Å
177	A	98.6	Very high	98.5	Very high	8 Å²	8	69.6 Å²	69.6	7%	0.066	35%	0.353	C	S	.	.	H	α-helix	trans	-58.5	-31.6	177.1	0	0	0	0	0	113.2	L150 W157 R175 Q179 R181	L150-A177 HydrophobicContact CD1-CB 3.9Å; W157-A177 HydrophobicContact CZ2-CB 4.31Å; R175-A177 PolarHBondContact O-N 3.19Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-R181 WeakPolarHBondContact O-CB 3.41Å; A177-R181 PolarHBondContact O-N 2.88Å
178	E	98.4	Very high	98.5	Very high	107 Å²	107	68.9 Å²	68.9	50%	0.5	35%	0.349	S	S	.	.	H	α-helix	trans	-67.8	-35.3	176.9	-63.4	179.4	-166.7	0	0	111.5	R175 V176 A182	R175-E178 HydrophobicContact CB-CB 4.49Å; R175-E178 HydrophobicContact CB-CG 4.17Å; R175-E178 WeakPolarHBondContact CD-OE1 3.27Å; R175-E178 IonicContact CZ-OE1 3.71Å; R175-E178 IonicContact NE-OE1 3.88Å; R175-E178 IonicContact NH1-OE1 2.87Å; R175-E178 PolarHBondContact NH1-OE1 3.05Å; R175-E178 IonicContact NH1-OE2 3.69Å; R175-E178 WeakPolarHBondContact O-CB 3.44Å; R175-E178 PolarHBondContact O-N 3.05Å; V176-E178 PolarHBondContact O-N 3.23Å; E178-A182 WeakPolarHBondContact O-CB 3.44Å; E178-A182 PolarHBondContact O-N 2.98Å; E178-A182 VanDerWaalsContact O-N 3.09Å
179	Q	97.9	Very high	98.5	Very high	127 Å²	127	67.5 Å²	67.5	59%	0.593	34%	0.343	S	S	*	.	H	α-helix	trans	-71.6	-46.6	177.6	-59.5	175	39.8	0	0	110.9	V176 A177 R181 A182 Y183	V176-Q179 WeakPolarHBondContact O-CB 3.48Å; V176-Q179 PolarHBondContact O-N 2.87Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; Q179-R181 VanDerWaalsContact C-N 3.33Å; Q179-R181 PolarHBondContact O-N 2.9Å; Q179-A182 PolarHBondContact O-N 3.4Å; Q179-Y183 PolarHBondContact O-N 2.73Å; Q179-Y183 VanDerWaalsContact O-N 3.11Å
180	D	98.3	Very high	98.5	Very high	32 Å²	32	65.9 Å²	65.9	17%	0.171	34%	0.342	C	S	.	.	H	α-helix	trans	-61.4	-44	176.8	-70	-18.5	0	0	0	111	N138 L150 W157 V176 A182 Y183 L184	N138-D180 VanDerWaalsContact ND2-CG 3.32Å; N138-D180 PolarHBondContact ND2-OD2 3.36Å; L150-D180 HydrophobicContact CD2-CB 4.03Å; W157-D180 VanDerWaalsContact CH2-OD2 3.23Å; W157-D180 WeakPolarHBondContact CH2-OD2 3.15Å; V176-D180 PolarHBondContact O-N 3.38Å; D180-A182 VanDerWaalsContact C-N 3.33Å; D180-A182 PolarHBondContact O-N 3.18Å; D180-Y183 PolarHBondContact O-N 3.26Å; D180-L184 HydrophobicContact CB-CD1 4.46Å; D180-L184 WeakPolarHBondContact O-CB 3.37Å; D180-L184 WeakPolarHBondContact O-CG 3.43Å; D180-L184 PolarHBondContact O-N 3.46Å
181	R	98.6	Very high	98.5	Very high	68 Å²	68	62.8 Å²	62.8	26%	0.257	33%	0.328	S	S	.	.	H	α-helix	trans	-59.8	-42.2	176.1	-176	172.8	177.9	-122.4	-15.4	112.1	L154 A177 Q179 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.07Å; L154-R181 HydrophobicContact CB-CG 3.88Å; L154-R181 HydrophobicContact CD1-CG 4.16Å; A177-R181 WeakPolarHBondContact O-CB 3.41Å; A177-R181 PolarHBondContact O-N 2.88Å; Q179-R181 VanDerWaalsContact C-N 3.33Å; Q179-R181 PolarHBondContact O-N 2.9Å; R181-Y183 VanDerWaalsContact C-N 3.32Å; R181-Y183 PolarHBondContact O-N 3.06Å; R181-L184 PolarHBondContact O-N 2.93Å; R181-E185 HydrophobicContact CG-CG 4.06Å; R181-E185 IonicContact CZ-OE1 3.26Å; R181-E185 IonicContact CZ-OE2 3.13Å; R181-E185 VanDerWaalsContact NE-CD 3.32Å; R181-E185 IonicContact NE-OE1 2.74Å; R181-E185 PolarHBondContact NE-OE1 3.12Å; R181-E185 IonicContact NE-OE2 2.83Å; R181-E185 PolarHBondContact NE-OE2 3.21Å; R181-E185 IonicContact NH2-OE1 3.28Å; R181-E185 PolarHBondContact NH2-OE1 3.23Å; R181-E185 IonicContact NH2-OE2 3.59Å; R181-E185 PolarHBondContact NH2-OE2 3.33Å; R181-E185 VanDerWaalsContact NH2-OE2 3.13Å; R181-E185 WeakPolarHBondContact O-CB 3.45Å; R181-E185 WeakPolarHBondContact O-CG 3.39Å; R181-E185 PolarHBondContact O-N 3.13Å
182	A	98.6	Very high	98.4	Very high	66 Å²	66	60.1 Å²	60.1	55%	0.545	32%	0.317	S	S	.	.	H	α-helix	trans	-61.9	-40.1	177	0	0	0	0	0	112.2	E178 Q179 D180 G186	E178-A182 WeakPolarHBondContact O-CB 3.44Å; E178-A182 PolarHBondContact O-N 2.98Å; E178-A182 VanDerWaalsContact O-N 3.09Å; Q179-A182 PolarHBondContact O-N 3.4Å; D180-A182 VanDerWaalsContact C-N 3.33Å; D180-A182 PolarHBondContact O-N 3.18Å; A182-G186 PolarHBondContact O-N 3.08Å; A182-G186 VanDerWaalsContact O-N 3.17Å
183	Y	98.5	Very high	98.3	Very high	68 Å²	68	61.4 Å²	61.4	27%	0.267	32%	0.318	S	S	.	.	I	π-helix	trans	-65.7	-48.6	173	168.4	-99.9	0	0	0	111.9	Y123 Q179 D180 R181 G186 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.95Å; Y123-Y183 HydrophobicContact CD2-CE1 3.95Å; Y123-Y183 HydrophobicContact CE2-CE1 4.22Å; Q179-Y183 PolarHBondContact O-N 2.73Å; Q179-Y183 VanDerWaalsContact O-N 3.11Å; D180-Y183 PolarHBondContact O-N 3.26Å; R181-Y183 VanDerWaalsContact C-N 3.32Å; R181-Y183 PolarHBondContact O-N 3.06Å; Y183-G186 CarbonylContact O-C 3.59Å; Y183-G186 PolarHBondContact O-N 3.01Å; Y183-T187 HydrophobicContact CD2-CG2 4.15Å; Y183-T187 HydrophobicContact CE2-CG2 4.11Å; Y183-T187 PolarHBondContact O-N 3.22Å; Y183-T187 VanDerWaalsContact O-N 3.15Å; Y183-C188 HydrophobicContact CD1-CB 4.24Å; Y183-C188 HydrophobicContact CE1-CB 3.79Å; Y183-C188 HydrophobicContact CE2-CB 4.37Å; Y183-C188 WeakPolarHBondContact O-CB 3.33Å; Y183-C188 PolarHBondContact O-N 3.09Å
184	L	98.8	Very high	98.2	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.01	31%	0.305	C	S	.	.	I	π-helix	trans	-67.6	-39.5	-174.3	-69.6	168.7	0	0	0	112.7	G124 L150 L154 D180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.27Å; L150-L184 HydrophobicContact CD2-CD1 3.81Å; L154-L184 HydrophobicContact CD2-CD1 3.95Å; D180-L184 HydrophobicContact CB-CD1 4.46Å; D180-L184 WeakPolarHBondContact O-CB 3.37Å; D180-L184 WeakPolarHBondContact O-CG 3.43Å; D180-L184 PolarHBondContact O-N 3.46Å; R181-L184 PolarHBondContact O-N 2.93Å; L184-V189 WeakPolarHBondContact O-CG2 3.37Å
185	E	98.5	Very high	98.1	Very high	94 Å²	94	60.1 Å²	60.1	44%	0.439	28%	0.282	S	S	.	.	I	π-helix	trans	-80.7	-21.4	177.7	-68.4	-178.2	167.3	0	0	113.2	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.45Å; L133-E185 HydrophobicContact CD2-CG 3.72Å; L154-E185 HydrophobicContact CD1-CG 4.32Å; R181-E185 HydrophobicContact CG-CG 4.06Å; R181-E185 IonicContact CZ-OE1 3.26Å; R181-E185 IonicContact CZ-OE2 3.13Å; R181-E185 VanDerWaalsContact NE-CD 3.32Å; R181-E185 IonicContact NE-OE1 2.74Å; R181-E185 PolarHBondContact NE-OE1 3.12Å; R181-E185 IonicContact NE-OE2 2.83Å; R181-E185 PolarHBondContact NE-OE2 3.21Å; R181-E185 IonicContact NH2-OE1 3.28Å; R181-E185 PolarHBondContact NH2-OE1 3.23Å; R181-E185 IonicContact NH2-OE2 3.59Å; R181-E185 PolarHBondContact NH2-OE2 3.33Å; R181-E185 VanDerWaalsContact NH2-OE2 3.13Å; R181-E185 WeakPolarHBondContact O-CB 3.45Å; R181-E185 WeakPolarHBondContact O-CG 3.39Å; R181-E185 PolarHBondContact O-N 3.13Å
186	G	98.4	Very high	98	Very high	20 Å²	20	53.3 Å²	53.3	21%	0.206	26%	0.257	C	S	.	.	I	π-helix	trans	-112.1	-95.4	-177	0	0	0	0	0	112.4	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.08Å; A182-G186 VanDerWaalsContact O-N 3.17Å; Y183-G186 CarbonylContact O-C 3.59Å; Y183-G186 PolarHBondContact O-N 3.01Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 3.2Å; G186-C188 VanDerWaalsContact O-N 3.16Å; G186-V189 PolarHBondContact O-N 3.06Å; G186-E190 WeakPolarHBondContact O-CG 3.42Å; G186-E190 PolarHBondContact O-N 3.38Å
187	T	98.3	Very high	97.8	Very high	61 Å²	61	57.4 Å²	57.4	37%	0.374	28%	0.275	S	S	.	.	I	π-helix	trans	-53.8	-39.7	-169.9	-56.9	0	0	0	0	113.3	Y183 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 4.15Å; Y183-T187 HydrophobicContact CE2-CG2 4.11Å; Y183-T187 PolarHBondContact O-N 3.22Å; Y183-T187 VanDerWaalsContact O-N 3.15Å; T187-E190 PolarHBondContact O-N 2.78Å; T187-W191 VanDerWaalsContact CG2-CD1 3.45Å; T187-W191 WeakPolarHBondContact O-CB 3.4Å; T187-W191 VanDerWaalsContact O-CD1 3.23Å; T187-W191 PolarHBondContact O-N 2.74Å
188	C	98.7	Very high	97.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.2	-49.7	177.8	-170.6	0	0	0	0	111.7	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.29Å; M29-C188 VanDerWaalsContact CE-O 3.31Å; M29-C188 WeakPolarHBondContact CE-O 3.48Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.34Å; C125-C188 PolarHBondContact N-SG 3.49Å; C125-C188 WeakPolarHBondContact SG-CB 3.22Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.08Å; Y183-C188 HydrophobicContact CD1-CB 4.24Å; Y183-C188 HydrophobicContact CE1-CB 3.79Å; Y183-C188 HydrophobicContact CE2-CB 4.37Å; Y183-C188 WeakPolarHBondContact O-CB 3.33Å; Y183-C188 PolarHBondContact O-N 3.09Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 3.2Å; G186-C188 VanDerWaalsContact O-N 3.16Å; C188-W191 PolarHBondContact O-N 2.98Å; C188-L192 WeakPolarHBondContact O-CB 3.42Å; C188-L192 PolarHBondContact O-N 2.98Å
189	V	98.6	Very high	97.1	Very high	9 Å²	9	53.7 Å²	53.7	6%	0.055	26%	0.258	C	S	.	.	H	α-helix	trans	-65.3	-42.1	179.7	176	0	0	0	0	111.1	V127 G131 L133 L184 G186 L192 R193	V127-V189 HydrophobicContact CG1-CB 4.43Å; V127-V189 HydrophobicContact CG1-CG1 4.03Å; V127-V189 HydrophobicContact CG1-CG2 4.01Å; G131-V189 WeakPolarHBondContact O-CG1 3.29Å; L133-V189 HydrophobicContact CB-CG2 3.98Å; L133-V189 HydrophobicContact CD1-CG2 4Å; L184-V189 WeakPolarHBondContact O-CG2 3.37Å; G186-V189 PolarHBondContact O-N 3.06Å; V189-L192 PolarHBondContact O-N 2.87Å; V189-R193 WeakPolarHBondContact O-CG 3.46Å; V189-R193 PolarHBondContact O-N 3.21Å; V189-R193 VanDerWaalsContact O-N 3.07Å
190	E	98.4	Very high	96.7	Very high	126 Å²	126	51.8 Å²	51.8	59%	0.589	25%	0.248	S	C	*	.	H	α-helix	trans	-60.9	-46.9	179	-71.1	172.8	176.4	0	0	112.2	G186 T187 R194	G186-E190 WeakPolarHBondContact O-CG 3.42Å; G186-E190 PolarHBondContact O-N 3.38Å; T187-E190 PolarHBondContact O-N 2.78Å; E190-R194 PolarHBondContact O-N 3.32Å; E190-R194 VanDerWaalsContact O-N 3.14Å
191	W	98.3	Very high	95.9	Very high	51 Å²	51	55.1 Å²	55.1	19%	0.193	27%	0.265	C	S	.	.	H	α-helix	trans	-71.2	-39	179.3	-81.3	99.3	0	0	0	112.5	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.12Å; Y83-W191 AromaticContact CD2-CH2 3.54Å; Y83-W191 HydrophobicContact CD2-CH2 3.54Å; Y83-W191 HydrophobicContact CD2-CZ2 4.28Å; Y83-W191 AromaticContact CD2-CZ3 3.71Å; Y83-W191 HydrophobicContact CD2-CZ3 3.71Å; Y83-W191 HydrophobicContact CE2-CE3 4.1Å; Y83-W191 AromaticContact CE2-CH2 3.87Å; Y83-W191 HydrophobicContact CE2-CH2 3.87Å; Y83-W191 AromaticContact CE2-CZ3 3.61Å; Y83-W191 HydrophobicContact CE2-CZ3 3.61Å; T187-W191 VanDerWaalsContact CG2-CD1 3.45Å; T187-W191 WeakPolarHBondContact O-CB 3.4Å; T187-W191 VanDerWaalsContact O-CD1 3.23Å; T187-W191 PolarHBondContact O-N 2.74Å; C188-W191 PolarHBondContact O-N 2.98Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 3.12Å; W191-R194 PolarHBondContact O-N 3.44Å; W191-R194 VanDerWaalsContact O-N 3.17Å; W191-Y195 HydrophobicContact CB-CE2 3.95Å; W191-Y195 HydrophobicContact CD2-CE1 4.48Å; W191-Y195 HydrophobicContact CE3-CD1 4.3Å; W191-Y195 AromaticContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE2 4.36Å; W191-Y195 AromaticContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-OH 3.26Å; W191-Y195 AromaticContact CZ3-CE1 3.85Å; W191-Y195 HydrophobicContact CZ3-CE1 3.85Å; W191-Y195 VanDerWaalsContact O-CD2 3.23Å; W191-Y195 WeakPolarHBondContact O-CD2 3.5Å; W191-Y195 PolarHBondContact O-N 3.02Å
192	L	98.2	Very high	95	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-57.6	-47.2	174.8	174.8	51.7	0	0	0	110.9	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.31Å; H27-L192 HydrophobicContact CB-CD2 4.4Å; M29-L192 HydrophobicContact CB-CB 4.08Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 4.13Å; M29-L192 HydrophobicContact CB-CG 4.3Å; M29-L192 HydrophobicContact SD-CB 4.46Å; V52-L192 HydrophobicContact CG1-CD1 3.68Å; V52-L192 HydrophobicContact CG2-CD1 4.31Å; V127-L192 HydrophobicContact CB-CD2 4.34Å; V127-L192 HydrophobicContact CG1-CD2 3.92Å; V127-L192 HydrophobicContact CG2-CD2 3.59Å; V127-L192 HydrophobicContact CG2-CG 4.26Å; C188-L192 WeakPolarHBondContact O-CB 3.42Å; C188-L192 PolarHBondContact O-N 2.98Å; V189-L192 PolarHBondContact O-N 2.87Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 2.9Å; L192-Y195 PolarHBondContact O-N 2.65Å; L192-L196 HydrophobicContact CD1-CD1 3.91Å; L192-L196 HydrophobicContact CD1-CD2 4.45Å; L192-L196 HydrophobicContact CD1-CG 3.95Å; L192-L196 HydrophobicContact CG-CD1 4.06Å; L192-L196 VanDerWaalsContact O-CG 3.3Å; L192-L196 WeakPolarHBondContact O-CG 3.34Å; L192-L196 PolarHBondContact O-N 2.85Å
193	R	96.1	Very high	94	Very high	121 Å²	121	53.2 Å²	53.2	46%	0.457	25%	0.254	S	S	.	.	H	α-helix	trans	-59.5	-42	175.9	-70.6	173.8	-177.2	-175.6	-0.4	112.7	G131 V189 W191 L196 E197	G131-R193 VanDerWaalsContact O-CZ 3.24Å; G131-R193 PolarHBondContact O-NE 2.65Å; G131-R193 PolarHBondContact O-NH2 3.47Å; V189-R193 WeakPolarHBondContact O-CG 3.46Å; V189-R193 PolarHBondContact O-N 3.21Å; V189-R193 VanDerWaalsContact O-N 3.07Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 3.12Å; R193-L196 PolarHBondContact O-N 3.14Å; R193-E197 PolarHBondContact O-N 3.1Å; R193-E197 VanDerWaalsContact O-N 3.08Å
194	R	96.5	Very high	92.6	Very high	118 Å²	118	55.8 Å²	55.8	45%	0.445	27%	0.269	S	S	.	.	H	α-helix	trans	-62.6	-44.4	176.6	178.8	176.8	172.9	100.3	-4.3	111.5	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.67Å; E79-R194 IonicContact OE1-NE 3.19Å; E79-R194 PolarHBondContact OE1-NE 2.74Å; E79-R194 IonicContact OE1-NH2 2.68Å; E79-R194 PolarHBondContact OE1-NH2 3.03Å; E79-R194 IonicContact OE2-CZ 2.8Å; E79-R194 IonicContact OE2-NE 3.71Å; E79-R194 PolarHBondContact OE2-NE 2.65Å; E79-R194 IonicContact OE2-NH2 3.46Å; E79-R194 PolarHBondContact OE2-NH2 3.37Å; E190-R194 PolarHBondContact O-N 3.32Å; E190-R194 VanDerWaalsContact O-N 3.14Å; W191-R194 PolarHBondContact O-N 3.44Å; W191-R194 VanDerWaalsContact O-N 3.17Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 2.9Å; R194-E197 PolarHBondContact O-N 3.42Å; R194-N198 WeakPolarHBondContact O-CB 3.47Å; R194-N198 PolarHBondContact O-N 3.01Å; R194-N198 PolarHBondContact O-OD1 3.24Å
195	Y	96.4	Very high	90.7	Very high	2 Å²	2	64.4 Å²	64.4	1%	0.008	30%	0.301	C	S	.	.	H	α-helix	trans	-67.2	-37	179.6	-61.5	-30.5	0	0	0	112.6	M29 V52 F57 W75 I76 Y83 W191 L192 N198 G199	M29-Y195 HydrophobicContact SD-CD2 3.68Å; M29-Y195 HydrophobicContact SD-CE2 3.47Å; M29-Y195 WeakPolarHBondContact SD-CE2 3.2Å; V52-Y195 HydrophobicContact CG2-CD2 3.8Å; V52-Y195 HydrophobicContact CG2-CG 4.31Å; F57-Y195 HydrophobicContact CD2-CE2 4.48Å; F57-Y195 HydrophobicContact CE2-CD2 4.09Å; F57-Y195 HydrophobicContact CE2-CE1 4.46Å; F57-Y195 AromaticContact CE2-CE2 3.55Å; F57-Y195 HydrophobicContact CE2-CE2 3.55Å; F57-Y195 AromaticContact CE2-CZ 3.77Å; F57-Y195 HydrophobicContact CZ-CD2 4.12Å; F57-Y195 AromaticContact CZ-CE2 3.63Å; F57-Y195 HydrophobicContact CZ-CE2 3.63Å; W75-Y195 HydrophobicContact CH2-CG 4.16Å; W75-Y195 AromaticContact CZ3-CD1 3.78Å; W75-Y195 HydrophobicContact CZ3-CD1 3.78Å; W75-Y195 HydrophobicContact CZ3-CD2 4.49Å; W75-Y195 AromaticContact CZ3-CG 3.71Å; W75-Y195 HydrophobicContact CZ3-CG 3.71Å; I76-Y195 HydrophobicContact CD1-CD1 3.73Å; I76-Y195 HydrophobicContact CD1-CE1 3.33Å; Y83-Y195 HydrophobicContact CE2-CE1 4.38Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.44Å; Y83-Y195 PolarHBondContact OH-OH 3.34Å; W191-Y195 HydrophobicContact CB-CE2 3.95Å; W191-Y195 HydrophobicContact CD2-CE1 4.48Å; W191-Y195 HydrophobicContact CE3-CD1 4.3Å; W191-Y195 AromaticContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE2 4.36Å; W191-Y195 AromaticContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-OH 3.26Å; W191-Y195 AromaticContact CZ3-CE1 3.85Å; W191-Y195 HydrophobicContact CZ3-CE1 3.85Å; W191-Y195 VanDerWaalsContact O-CD2 3.23Å; W191-Y195 WeakPolarHBondContact O-CD2 3.5Å; W191-Y195 PolarHBondContact O-N 3.02Å; L192-Y195 PolarHBondContact O-N 2.65Å; Y195-N198 PolarHBondContact O-N 2.99Å; Y195-G199 PolarHBondContact O-N 3.14Å
196	L	95.2	Very high	88.2	Confident	15 Å²	15	67 Å²	67	8%	0.079	34%	0.339	C	S	.	.	H	α-helix	trans	-61.8	-45.5	172.9	-68.8	168	0	0	0	111.4	H27 V52 L192 R193 N198 G199 K200 L203	H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 4.1Å; H27-L196 HydrophobicContact CB-CG 4.47Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.49Å; V52-L196 HydrophobicContact CG1-CD2 3.98Å; L192-L196 HydrophobicContact CD1-CD1 3.91Å; L192-L196 HydrophobicContact CD1-CD2 4.45Å; L192-L196 HydrophobicContact CD1-CG 3.95Å; L192-L196 HydrophobicContact CG-CD1 4.06Å; L192-L196 VanDerWaalsContact O-CG 3.3Å; L192-L196 WeakPolarHBondContact O-CG 3.34Å; L192-L196 PolarHBondContact O-N 2.85Å; R193-L196 PolarHBondContact O-N 3.14Å; L196-N198 PolarHBondContact O-N 3.32Å; L196-G199 CarbonylContact O-C 3.57Å; L196-G199 PolarHBondContact O-N 2.87Å; L196-K200 VanDerWaalsContact O-CA 3.3Å; L196-K200 WeakPolarHBondContact O-CA 3.45Å; L196-K200 PolarHBondContact O-N 3.29Å; L196-L203 HydrophobicContact CD2-CB 4.37Å; L196-L203 HydrophobicContact CD2-CD1 4.24Å
197	E	93.6	Very high	87.7	Confident	111 Å²	111	69.4 Å²	69.4	52%	0.519	35%	0.345	S	S	.	.	H	α-helix	trans	-63.4	-43.3	175.9	-178.7	60	-139.5	0	0	111.9	R193 R194 G199 K200	R193-E197 PolarHBondContact O-N 3.1Å; R193-E197 VanDerWaalsContact O-N 3.08Å; R194-E197 PolarHBondContact O-N 3.42Å; E197-G199 VanDerWaalsContact C-N 3.29Å; E197-G199 PolarHBondContact O-N 3.34Å; E197-K200 IonicContact OE1-NZ 3.3Å; E197-K200 PolarHBondContact OE1-NZ 2.89Å
198	N	92.9	Very high	87.1	Confident	35 Å²	35	69.8 Å²	69.8	19%	0.187	34%	0.344	C	S	.	.	H	α-helix	trans	-61.8	-38.8	177.2	-66.4	-5.8	0	0	0	111.7	W75 Q78 E79 R194 Y195 L196	W75-N198 HydrophobicContact CB-CB 4.47Å; W75-N198 HydrophobicContact CE3-CB 4.43Å; Q78-N198 PolarHBondContact NE2-ND2 3.41Å; Q78-N198 PolarHBondContact NE2-OD1 2.91Å; E79-N198 PolarHBondContact OE1-ND2 2.92Å; R194-N198 WeakPolarHBondContact O-CB 3.47Å; R194-N198 PolarHBondContact O-N 3.01Å; R194-N198 PolarHBondContact O-OD1 3.24Å; Y195-N198 PolarHBondContact O-N 2.99Å; L196-N198 PolarHBondContact O-N 3.32Å
199	G	91.3	Very high	86.5	Confident	2 Å²	2	73.7 Å²	73.7	2%	0.021	36%	0.363	C	S	.	.	H	α-helix	trans	-101.9	9.7	-173	0	0	0	0	0	115	Y195 L196 E197 D201 T202 L203	Y195-G199 PolarHBondContact O-N 3.14Å; L196-G199 CarbonylContact O-C 3.57Å; L196-G199 PolarHBondContact O-N 2.87Å; E197-G199 VanDerWaalsContact C-N 3.29Å; E197-G199 PolarHBondContact O-N 3.34Å; G199-D201 PolarHBondContact O-N 3.49Å; G199-T202 CarbonylContact O-C 3.57Å; G199-T202 WeakPolarHBondContact O-CA 3.43Å; G199-T202 PolarHBondContact O-N 2.88Å; G199-T202 PolarHBondContact O-OG1 2.99Å; G199-L203 PolarHBondContact O-N 3.45Å
200	K	87.6	Confident	85.7	Confident	87 Å²	87	77.5 Å²	77.5	38%	0.378	38%	0.381	S	S	.	.	H	α-helix	trans	-51.1	-38.1	-169.1	66.5	-174.2	172.5	-162.7	0	114.7	L196 E197 T202 E204	L196-K200 VanDerWaalsContact O-CA 3.3Å; L196-K200 WeakPolarHBondContact O-CA 3.45Å; L196-K200 PolarHBondContact O-N 3.29Å; E197-K200 IonicContact OE1-NZ 3.3Å; E197-K200 PolarHBondContact OE1-NZ 2.89Å; K200-T202 PolarHBondContact O-N 2.85Å; K200-E204 HydrophobicContact CB-CG 4.46Å; K200-E204 PolarHBondContact O-N 3.07Å
201	D	82.2	Confident	85	Confident	102 Å²	102	74.5 Å²	74.5	55%	0.545	37%	0.368	S	S	.	.	H	α-helix	trans	-68.1	-16.8	179.6	-77.3	-42.1	0	0	0	113.8	G199 R205	G199-D201 PolarHBondContact O-N 3.49Å; D201-R205 VanDerWaalsContact O-CD 3.25Å; D201-R205 WeakPolarHBondContact O-CD 3.32Å; D201-R205 PolarHBondContact O-NE 3.12Å; D201-R205 IonicContact OD1-CZ 3.99Å; D201-R205 IonicContact OD1-NH2 2.97Å; D201-R205 PolarHBondContact OD1-NH2 3.35Å
202	T	79.6	Confident	84.1	Confident	86 Å²	86	76.1 Å²	76.1	53%	0.528	38%	0.38	S	S	.	.	H	α-helix	trans	-116.3	-36.1	-177.5	54.2	0	0	0	0	113.8	G199 K200	G199-T202 CarbonylContact O-C 3.57Å; G199-T202 WeakPolarHBondContact O-CA 3.43Å; G199-T202 PolarHBondContact O-N 2.88Å; G199-T202 PolarHBondContact O-OG1 2.99Å; K200-T202 PolarHBondContact O-N 2.85Å
203	L	78.8	Confident	83.1	Confident	8 Å²	8	81.5 Å²	81.5	4%	0.042	41%	0.407	C	S	.	.	H	α-helix	trans	-89	-35.4	-172.8	-64.3	173.5	0	0	0	112.7	V52 T55 W75 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.48Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å; T55-L203 HydrophobicContact CG2-CD2 4.24Å; W75-L203 HydrophobicContact CZ2-CD1 3.98Å; W75-L203 HydrophobicContact CZ2-CD2 4.45Å; L196-L203 HydrophobicContact CD2-CB 4.37Å; L196-L203 HydrophobicContact CD2-CD1 4.24Å; G199-L203 PolarHBondContact O-N 3.45Å; L203-R205 VanDerWaalsContact C-N 3.27Å; L203-R205 PolarHBondContact O-N 3.46Å
204	E	67.7	Low	82.1	Confident	121 Å²	121	78.5 Å²	78.5	57%	0.565	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-0.6	-178.4	-60.8	-179.5	165.1	0	0	113.4	K200	K200-E204 HydrophobicContact CB-CG 4.46Å; K200-E204 PolarHBondContact O-N 3.07Å
205	R	58.9	Low	80.8	Confident	184 Å²	184	75.2 Å²	75.2	69%	0.694	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-2.6	178.8	-60.5	-172.3	-170.1	169	9.3	113.5	D201 L203	D201-R205 VanDerWaalsContact O-CD 3.25Å; D201-R205 WeakPolarHBondContact O-CD 3.32Å; D201-R205 PolarHBondContact O-NE 3.12Å; D201-R205 IonicContact OD1-CZ 3.99Å; D201-R205 IonicContact OD1-NH2 2.97Å; D201-R205 PolarHBondContact OD1-NH2 3.35Å; L203-R205 VanDerWaalsContact C-N 3.27Å; L203-R205 PolarHBondContact O-N 3.46Å
206	A	46	Very low	79.4	Confident	149 Å²	149	81.8 Å²	81.8	100%	1.231	44%	0.435	S	S	*	.			trans	-84.9	0	-176.5	0	0	0	0	0	112

Retrieved 206 of 206 residues in 1011.4 ms (Link to these results)

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