A0A061DEZ3_HUMAN Loading...

MHC class I antigen

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

AlphaFold DB , UniProt , Accession A0A061DEZ3, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.8	Very low	40.3	Very low	245 Å²	245	144.2 Å²	144.2	100%	1.207	73%	0.73	S	S	*	*				0	137	0	-70	150	165.9	0	0	108.5
2	R	32.6	Very low	40.6	Very low	252 Å²	252	143.2 Å²	143.2	95%	0.951	73%	0.727	S	S	*	*			trans	-116.2	114.7	161.7	-89.4	-176.8	170.3	167	-3.2	106.4	M4	R2-M4 PolarHBondContact O-N 3.43Å
3	V	35.8	Very low	40.3	Very low	142 Å²	142	140.2 Å²	140.2	86%	0.861	71%	0.713	S	S	*	*			trans	-76.3	114.8	173.3	179.2	0	0	0	0	107	A5	V3-A5 PolarHBondContact O-N 3.36Å
4	M	37.5	Very low	40.3	Very low	178 Å²	178	134.7 Å²	134.7	88%	0.877	69%	0.694	S	S	*	*			trans	-89	100.5	177.9	-172.2	167.3	67.7	0	0	108.3	R2	R2-M4 PolarHBondContact O-N 3.43Å
5	A	41.2	Very low	40.4	Very low	61 Å²	61	128.3 Å²	128.3	50%	0.504	67%	0.674	S	S	.	*			trans	-60.7	144.7	179.1	0	0	0	0	0	111.3	V3 R7	V3-A5 PolarHBondContact O-N 3.36Å; A5-R7 PolarHBondContact O-N 3.24Å
6	P	40.8	Very low	40.6	Very low	79 Å²	79	123.6 Å²	123.6	51%	0.513	66%	0.659	S	S	.	*			trans	-64.6	121.2	-179.1	-20.2	33	0	0	0	111.3	S8 L9	P6-S8 PolarHBondContact O-N 3.17Å; P6-S8 VanDerWaalsContact O-N 3.14Å; P6-L9 HydrophobicContact CG-CD1 4.31Å; P6-L9 PolarHBondContact O-N 3.48Å
7	R	45.9	Very low	40.4	Very low	212 Å²	212	122.6 Å²	122.6	80%	0.8	65%	0.653	S	S	*	*	H	α-helix	trans	-58.5	-27.6	179.5	-77.4	178.5	166.3	167.3	-6.2	113.2	A5 L9 I10 L11	A5-R7 PolarHBondContact O-N 3.24Å; R7-L9 PolarHBondContact O-N 3.14Å; R7-I10 PolarHBondContact O-N 3.39Å; R7-L11 PolarHBondContact O-N 3.47Å
8	S	46	Very low	40.3	Very low	85 Å²	85	118.8 Å²	118.8	59%	0.594	64%	0.642	S	S	*	*	H	α-helix	trans	-62	-38.7	177.8	-36.3	0	0	0	0	113.3	P6 I10 L11 L12	P6-S8 PolarHBondContact O-N 3.17Å; P6-S8 VanDerWaalsContact O-N 3.14Å; S8-I10 VanDerWaalsContact C-N 3.33Å; S8-I10 PolarHBondContact O-N 3.34Å; S8-L11 PolarHBondContact O-N 3.37Å; S8-L12 PolarHBondContact O-N 3.22Å
9	L	42.1	Very low	40.2	Very low	103 Å²	103	117.1 Å²	117.1	54%	0.539	63%	0.632	S	S	.	*	H	α-helix	trans	-66.9	-35.7	-180	-101.6	158.1	0	0	0	112.1	P6 R7 L13	P6-L9 HydrophobicContact CG-CD1 4.31Å; P6-L9 PolarHBondContact O-N 3.48Å; R7-L9 PolarHBondContact O-N 3.14Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 2.65Å
10	I	43.7	Very low	40.1	Very low	99 Å²	99	115.7 Å²	115.7	51%	0.508	63%	0.628	S	S	.	*	H	α-helix	trans	-67.9	-38	178.6	-58.8	174.3	0	0	0	110.3	R7 S8 S14	R7-I10 PolarHBondContact O-N 3.39Å; S8-I10 VanDerWaalsContact C-N 3.33Å; S8-I10 PolarHBondContact O-N 3.34Å; I10-S14 WeakPolarHBondContact O-CB 3.36Å; I10-S14 PolarHBondContact O-N 2.96Å; I10-S14 PolarHBondContact O-OG 3.41Å
11	L	45	Very low	40	Very low	130 Å²	130	118.2 Å²	118.2	68%	0.681	64%	0.635	S	S	*	*	H	α-helix	trans	-68.6	-43.2	-179.9	-74.8	165.1	0	0	0	112.6	R7 S8 S14 G15	R7-L11 PolarHBondContact O-N 3.47Å; S8-L11 PolarHBondContact O-N 3.37Å; L11-S14 PolarHBondContact O-N 3.28Å; L11-G15 PolarHBondContact O-N 2.99Å
12	L	43.7	Very low	40.6	Very low	132 Å²	132	110.5 Å²	110.5	69%	0.691	60%	0.602	S	S	*	*	H	α-helix	trans	-63	-45.6	176.8	-75.7	165.3	0	0	0	112.1	S8 S14 G15 A16	S8-L12 PolarHBondContact O-N 3.22Å; L12-S14 VanDerWaalsContact C-N 3.3Å; L12-S14 PolarHBondContact O-N 3.05Å; L12-G15 PolarHBondContact O-N 3.04Å; L12-A16 PolarHBondContact O-N 3.28Å
13	L	37.3	Very low	41.3	Very low	104 Å²	104	101.2 Å²	101.2	55%	0.545	57%	0.567	S	S	.	*	H	α-helix	trans	-62.2	-36.9	174.2	-75.5	166.1	0	0	0	112.1	L9 L17	L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 2.65Å; L13-L17 WeakPolarHBondContact O-CB 3.29Å; L13-L17 VanDerWaalsContact O-CG 3.29Å; L13-L17 WeakPolarHBondContact O-CG 3.31Å; L13-L17 PolarHBondContact O-N 2.96Å
14	S	40.3	Very low	42.2	Very low	64 Å²	64	97.6 Å²	97.6	45%	0.448	55%	0.552	S	S	.	*	H	α-helix	trans	-67.2	-38.3	177	-55.9	0	0	0	0	112.2	I10 L11 L12 A18	I10-S14 WeakPolarHBondContact O-CB 3.36Å; I10-S14 PolarHBondContact O-N 2.96Å; I10-S14 PolarHBondContact O-OG 3.41Å; L11-S14 PolarHBondContact O-N 3.28Å; L12-S14 VanDerWaalsContact C-N 3.3Å; L12-S14 PolarHBondContact O-N 3.05Å; S14-A18 VanDerWaalsContact O-CB 3.31Å; S14-A18 WeakPolarHBondContact O-CB 3.32Å; S14-A18 PolarHBondContact O-N 3.24Å
15	G	42.2	Very low	44.2	Very low	38 Å²	38	90.3 Å²	90.3	39%	0.392	52%	0.522	S	S	.	.	H	α-helix	trans	-66.4	-45.4	175.6	0	0	0	0	0	112.6	L11 L12 A18 L19	L11-G15 PolarHBondContact O-N 2.99Å; L12-G15 PolarHBondContact O-N 3.04Å; G15-A18 PolarHBondContact O-N 2.68Å; G15-L19 PolarHBondContact O-N 2.96Å
16	A	43.2	Very low	46.7	Very low	53 Å²	53	89.7 Å²	89.7	44%	0.438	51%	0.514	S	S	.	.	H	α-helix	trans	-62.8	-46.1	176.6	0	0	0	0	0	112.2	L12 L19 T20	L12-A16 PolarHBondContact O-N 3.28Å; A16-L19 PolarHBondContact O-N 3.43Å; A16-T20 PolarHBondContact O-N 3.08Å; A16-T20 PolarHBondContact O-OG1 3.43Å
17	L	37.4	Very low	49.3	Very low	107 Å²	107	87.4 Å²	87.4	56%	0.56	50%	0.497	S	S	*	.	H	α-helix	trans	-64.6	-39.2	178.6	-76.2	170.2	0	0	0	113	L13 L19 T20 E21	L13-L17 WeakPolarHBondContact O-CB 3.29Å; L13-L17 VanDerWaalsContact O-CG 3.29Å; L13-L17 WeakPolarHBondContact O-CG 3.31Å; L13-L17 PolarHBondContact O-N 2.96Å; L17-L19 VanDerWaalsContact C-N 3.29Å; L17-L19 PolarHBondContact O-N 2.89Å; L17-T20 WeakPolarHBondContact CA-OG1 3.49Å; L17-T20 PolarHBondContact O-N 2.96Å; L17-T20 PolarHBondContact O-OG1 2.68Å; L17-T20 VanDerWaalsContact O-OG1 3.08Å; L17-E21 PolarHBondContact O-N 2.81Å
18	A	38	Very low	51.8	Low	54 Å²	54	78.4 Å²	78.4	45%	0.446	47%	0.466	S	S	.	.	H	α-helix	trans	-67.3	-29.8	176.7	0	0	0	0	0	112.7	S14 G15 T22	S14-A18 VanDerWaalsContact O-CB 3.31Å; S14-A18 WeakPolarHBondContact O-CB 3.32Å; S14-A18 PolarHBondContact O-N 3.24Å; G15-A18 PolarHBondContact O-N 2.68Å; A18-T22 WeakPolarHBondContact O-CG2 3.35Å; A18-T22 PolarHBondContact O-N 3.27Å; A18-T22 PolarHBondContact O-OG1 3.13Å
19	L	38.2	Very low	54.3	Low	86 Å²	86	74.3 Å²	74.3	45%	0.45	44%	0.438	S	S	.	.	H	α-helix	trans	-72.1	-44	171.2	-81.5	161.2	0	0	0	111.5	G15 A16 L17 E21 T22 W23	G15-L19 PolarHBondContact O-N 2.96Å; A16-L19 PolarHBondContact O-N 3.43Å; L17-L19 VanDerWaalsContact C-N 3.29Å; L17-L19 PolarHBondContact O-N 2.89Å; L19-E21 PolarHBondContact O-N 3.17Å; L19-T22 PolarHBondContact O-N 2.79Å; L19-T22 PolarHBondContact O-OG1 3.31Å; L19-W23 PolarHBondContact O-N 3.49Å
20	T	39.4	Very low	57	Low	89 Å²	89	71.8 Å²	71.8	55%	0.546	42%	0.421	S	S	.	.	H	α-helix	trans	-67.4	-34	178.6	55.6	0	0	0	0	113.5	A16 L17 T22	A16-T20 PolarHBondContact O-N 3.08Å; A16-T20 PolarHBondContact O-OG1 3.43Å; L17-T20 WeakPolarHBondContact CA-OG1 3.49Å; L17-T20 PolarHBondContact O-N 2.96Å; L17-T20 PolarHBondContact O-OG1 2.68Å; L17-T20 VanDerWaalsContact O-OG1 3.08Å; T20-T22 VanDerWaalsContact C-N 3.34Å
21	E	37.8	Very low	59.6	Low	170 Å²	170	67.3 Å²	67.3	79%	0.794	40%	0.398	S	S	*	.	H	α-helix	trans	-72.3	-20.5	174.1	-81.1	-165.2	138.5	0	0	114.3	L17 L19	L17-E21 PolarHBondContact O-N 2.81Å; L19-E21 PolarHBondContact O-N 3.17Å
22	T	44.2	Very low	62.2	Low	83 Å²	83	65.3 Å²	65.3	51%	0.509	38%	0.384	S	S	.	.	H	α-helix	trans	-90.9	-25	-176.3	42.7	0	0	0	0	114.3	A18 L19 T20 S26	A18-T22 WeakPolarHBondContact O-CG2 3.35Å; A18-T22 PolarHBondContact O-N 3.27Å; A18-T22 PolarHBondContact O-OG1 3.13Å; L19-T22 PolarHBondContact O-N 2.79Å; L19-T22 PolarHBondContact O-OG1 3.31Å; T20-T22 VanDerWaalsContact C-N 3.34Å; T22-S26 PolarHBondContact O-OG 3.12Å
23	W	47.2	Very low	64.8	Low	57 Å²	57	59.4 Å²	59.4	22%	0.216	35%	0.353	C	S	.	.	H	α-helix	trans	-78.3	-53.2	-177.6	-70.5	36.3	0	0	0	111.4	L19 G25 S26 E236 E288	L19-W23 PolarHBondContact O-N 3.49Å; W23-G25 PolarHBondContact O-N 3.3Å; W23-S26 PolarHBondContact O-N 3Å; W23-E236 HydrophobicContact CH2-CB 4.45Å; W23-E236 HydrophobicContact CH2-CG 3.67Å; W23-E236 HydrophobicContact CZ2-CG 3.91Å; W23-E236 HydrophobicContact CZ3-CB 4.37Å; W23-E236 HydrophobicContact CZ3-CG 4.02Å; W23-E236 WeakPolarHBondContact CZ3-O 3.39Å; W23-E288 HydrophobicContact CE3-CB 4.19Å
24	A	56.3	Low	67.7	Low	65 Å²	65	56.5 Å²	56.5	54%	0.537	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	99.8	-167.9	0	0	0	0	0	114.4
25	G	78.9	Confident	70.5	Confident	25 Å²	25	53.5 Å²	53.5	26%	0.258	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.2	14	169.7	0	0	0	0	0	116.2	W23 P129	W23-G25 PolarHBondContact O-N 3.3Å; G25-P129 WeakPolarHBondContact O-CA 3.42Å
26	S	92.3	Very high	73.2	Confident	48 Å²	48	53.8 Å²	53.8	34%	0.336	31%	0.312	S	S	.	.			trans	-78.7	142.1	159.6	-62.5	0	0	0	0	109.4	T22 W23 V127	T22-S26 PolarHBondContact O-OG 3.12Å; W23-S26 PolarHBondContact O-N 3Å; S26-V127 WeakPolarHBondContact CA-O 3.37Å
27	H	96.3	Very high	75.8	Confident	32 Å²	32	52.1 Å²	52.1	15%	0.148	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	157.9	-177.1	-70	-74	0	0	0	112	D53 D126 V127 L192 L196 L203	H27-D53 WeakPolarHBondContact CA-OD1 3.47Å; H27-D53 IonicContact CE1-OD2 3.36Å; H27-D53 IonicContact CG-OD2 3.09Å; H27-D53 IonicContact ND1-OD2 2.74Å; H27-D53 PolarHBondContact ND1-OD2 3.01Å; H27-D126 CarbonylContact O-C 3.58Å; H27-D126 WeakPolarHBondContact O-CA 3.49Å; H27-V127 HydrophobicContact CB-CG2 4.07Å; H27-V127 PolarHBondContact N-O 3.17Å; H27-V127 PolarHBondContact O-N 3.23Å; H27-L192 HydrophobicContact CB-CD1 4.47Å; H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 4.05Å; H27-L196 HydrophobicContact CB-CG 4.45Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.42Å; H27-L203 PolarHBondContact CE1-O 2.78Å
28	S	97.9	Very high	78.6	Confident	22 Å²	22	50.3 Å²	50.3	15%	0.154	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	149.1	-175.4	65.4	0	0	0	0	112.4	V52 D53 C125 D126	S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.18Å; S28-D53 PolarHBondContact N-OD1 3.42Å; S28-D53 PolarHBondContact O-N 2.83Å; S28-D53 PolarHBondContact OG-OD1 2.81Å; S28-C125 WeakPolarHBondContact CA-O 3.44Å; S28-D126 VanDerWaalsContact CB-OD1 3.24Å; S28-D126 WeakPolarHBondContact CB-OD1 3.39Å
29	M	98.7	Very high	81.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	117.2	165.3	-178	175.4	61.2	0	0	108.9	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.14Å; M29-Y31 HydrophobicContact CG-CE2 4.1Å; M29-Y31 HydrophobicContact SD-CE2 3.96Å; M29-Y51 WeakPolarHBondContact CA-O 3.43Å; M29-V52 HydrophobicContact CB-CG2 4.47Å; M29-V52 HydrophobicContact CG-CG2 4.28Å; M29-F57 HydrophobicContact CG-CE1 4.34Å; M29-F57 HydrophobicContact SD-CZ 4.31Å; M29-G124 CarbonylContact O-C 3.49Å; M29-G124 WeakPolarHBondContact O-CA 3.3Å; M29-C125 PolarHBondContact N-O 3.32Å; M29-C125 PolarHBondContact O-N 2.94Å; M29-C188 HydrophobicContact CE-CB 4.16Å; M29-C188 WeakPolarHBondContact CE-O 3.43Å; M29-C188 WeakPolarHBondContact CE-SG 3.33Å; M29-W191 HydrophobicContact CE-CB 4.15Å; M29-W191 HydrophobicContact SD-CB 4.41Å; M29-L192 HydrophobicContact CB-CB 4Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 4.09Å; M29-L192 HydrophobicContact CB-CG 4.25Å; M29-L192 HydrophobicContact CE-CB 4.44Å; M29-Y195 HydrophobicContact SD-CD2 3.79Å; M29-Y195 HydrophobicContact SD-CE2 3.52Å; M29-Y195 VanDerWaalsContact SD-CE2 3.52Å
30	R	98.7	Very high	83.8	Confident	50 Å²	50	50.7 Å²	50.7	19%	0.189	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	133.7	-174.8	-53.3	-60.8	-171	74.9	4.3	110.7	F32 G50 Y51 M122 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.49Å; R30-F32 HydrophobicContact CB-CE2 3.67Å; R30-F32 HydrophobicContact CB-CZ 3.97Å; R30-G50 WeakPolarHBondContact O-CA 3.26Å; R30-Y51 PolarHBondContact N-O 2.92Å; R30-Y51 PolarHBondContact O-N 3.49Å; R30-M122 HydrophobicContact CB-SD 4.44Å; R30-D126 IonicContact CZ-OD1 3.67Å; R30-D126 VanDerWaalsContact CZ-OD1 3.24Å; R30-D126 IonicContact CZ-OD2 3.61Å; R30-D126 IonicContact NE-OD1 2.68Å; R30-D126 PolarHBondContact NE-OD1 3.46Å; R30-D126 IonicContact NH2-OD1 2.71Å; R30-D126 PolarHBondContact NH2-OD1 3.44Å; R30-D126 IonicContact NH2-OD2 3.78Å; R30-D126 PolarHBondContact NH2-OD2 2.81Å; R30-Y137 VanDerWaalsContact NH2-CE2 3.31Å; R30-Y137 PolarHBondContact NH2-OH 3.47Å
31	Y	98.8	Very high	86.3	Confident	4 Å²	4	56.2 Å²	56.2	2%	0.016	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133	172.7	-71.8	-90.4	0	0	0	109.6	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.14Å; M29-Y31 HydrophobicContact CG-CE2 4.1Å; M29-Y31 HydrophobicContact SD-CE2 3.96Å; Y31-Y33 HydrophobicContact CD1-CE1 4.38Å; Y31-V49 WeakPolarHBondContact CA-O 3.44Å; Y31-F57 HydrophobicContact CE1-CZ 4.09Å; Y31-F57 AromaticContact CZ-CZ 3.87Å; Y31-V58 HydrophobicContact CE1-CG1 4.14Å; Y31-M122 WeakPolarHBondContact O-CA 3.16Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.41Å; Y31-Y123 HydrophobicContact CD2-CE1 4.45Å; Y31-Y123 AromaticContact CD2-CE2 3.79Å; Y31-Y123 HydrophobicContact CD2-CE2 3.79Å; Y31-Y123 AromaticContact CD2-CZ 3.72Å; Y31-Y123 HydrophobicContact CE2-CE2 4.5Å; Y31-Y123 HydrophobicContact CG-CE1 4.1Å; Y31-Y123 HydrophobicContact CG-CE2 4.26Å; Y31-Y123 AromaticContact CG-CZ 3.73Å; Y31-Y123 PolarHBondContact N-O 3.33Å; Y31-Y123 PolarHBondContact O-N 2.98Å
32	F	98.9	Very high	88.9	Confident	89 Å²	89	50.9 Å²	50.9	39%	0.39	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	119.4	178.8	-55.4	-98.8	0	0	0	109.1	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.49Å; R30-F32 HydrophobicContact CB-CE2 3.67Å; R30-F32 HydrophobicContact CB-CZ 3.97Å; F32-A48 WeakPolarHBondContact O-CA 3.01Å; F32-V49 HydrophobicContact CB-CG2 3.86Å; F32-V49 HydrophobicContact CD2-CG2 4.34Å; F32-V49 PolarHBondContact N-O 3.01Å; F32-V49 PolarHBondContact O-N 3.04Å; F32-Y51 HydrophobicContact CD2-CD2 4.15Å; F32-Y51 HydrophobicContact CE2-CD2 4.16Å; F32-R121 WeakPolarHBondContact CA-O 3.35Å; F32-M122 HydrophobicContact CD1-CB 4.05Å; F32-M122 HydrophobicContact CD1-CG 3.56Å; F32-M122 HydrophobicContact CE1-CB 4.23Å; F32-M122 HydrophobicContact CE1-CG 3.33Å; F32-M122 HydrophobicContact CG-CG 4.37Å; F32-M122 HydrophobicContact CZ-CG 3.99Å
33	Y	98.8	Very high	91.3	Very high	8 Å²	8	51.6 Å²	51.6	3%	0.031	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139.9	177	-56.9	-22.6	0	0	0	110	Y31 F46 I47 A48 Y91 Q94 Q120 R121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.38Å; Y33-F46 HydrophobicContact CD1-CZ 4.19Å; Y33-F46 HydrophobicContact CD2-CE2 4.48Å; Y33-F46 HydrophobicContact CD2-CZ 4.25Å; Y33-F46 HydrophobicContact CG-CE2 4.23Å; Y33-F46 AromaticContact CG-CZ 3.96Å; Y33-F46 HydrophobicContact CG-CZ 3.96Å; Y33-I47 WeakPolarHBondContact CA-O 3.42Å; Y33-A48 HydrophobicContact CD1-CB 3.26Å; Y33-A48 HydrophobicContact CE1-CB 3.42Å; Y33-A48 VanDerWaalsContact CE1-CB 3.42Å; Y33-A48 HydrophobicContact CG-CB 4.29Å; Y33-Y91 AromaticContact CE1-CD1 3.99Å; Y33-Y91 HydrophobicContact CE1-CD1 3.99Å; Y33-Y91 AromaticContact CE1-CE1 3.77Å; Y33-Y91 HydrophobicContact CE1-CE1 3.77Å; Y33-Y91 AromaticContact CZ-CE1 3.99Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.46Å; Y33-Q94 HydrophobicContact CD2-CG 3.54Å; Y33-Q94 HydrophobicContact CE2-CB 4.36Å; Y33-Q94 HydrophobicContact CE2-CG 3.67Å; Y33-Q94 HydrophobicContact CG-CG 4.47Å; Y33-Q120 CarbonylContact O-C 3.53Å; Y33-Q120 VanDerWaalsContact O-CA 3.27Å; Y33-Q120 WeakPolarHBondContact O-CA 3.33Å; Y33-R121 PolarHBondContact N-O 2.93Å; Y33-R121 PolarHBondContact O-N 3.08Å; Y33-Y123 HydrophobicContact CD2-CE1 4.14Å; Y33-Y123 HydrophobicContact CE1-CE1 4.27Å; Y33-Y123 HydrophobicContact CE2-CD1 4.38Å; Y33-Y123 AromaticContact CE2-CE1 3.47Å; Y33-Y123 HydrophobicContact CE2-CE1 3.47Å; Y33-Y123 VanDerWaalsContact CE2-CE1 3.47Å; Y33-Y123 AromaticContact CZ-CE1 3.57Å; Y33-Y123 PolarHBondContact OH-OH 3.4Å
34	T	98.9	Very high	93.7	Very high	43 Å²	43	50.1 Å²	50.1	26%	0.264	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	124.4	176.3	-59.1	0	0	0	0	108.8	V36 F46 I47 I118 Q120	T34-V36 HydrophobicContact CG2-CG2 4.04Å; T34-F46 WeakPolarHBondContact O-CA 2.94Å; T34-I47 PolarHBondContact N-O 3.15Å; T34-I47 PolarHBondContact O-N 3.45Å; T34-I118 HydrophobicContact CG2-CG2 3.84Å; T34-Q120 HydrophobicContact CG2-CG 4.13Å
35	A	98.7	Very high	95.7	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.008	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	122	172	0	0	0	0	0	110.8	H45 F46 D98 L102 I118 I119	A35-H45 CarbonylContact C-O 3.58Å; A35-H45 VanDerWaalsContact CA-O 3.31Å; A35-H45 WeakPolarHBondContact CA-O 3.47Å; A35-F46 HydrophobicContact CB-CD2 4.1Å; A35-D98 HydrophobicContact CB-CB 3.71Å; A35-L102 HydrophobicContact CB-CD1 4.04Å; A35-I118 WeakPolarHBondContact O-CA 3.33Å; A35-I119 HydrophobicContact CB-CG2 3.74Å; A35-I119 PolarHBondContact N-O 3.33Å; A35-I119 PolarHBondContact O-N 2.82Å
36	V	98.6	Very high	96.6	Very high	43 Å²	43	48.2 Å²	48.2	26%	0.261	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	115.8	-176.5	-176.4	0	0	0	0	109.6	T34 P44 H45 I118	T34-V36 HydrophobicContact CG2-CG2 4.04Å; V36-P44 CarbonylContact O-C 3.48Å; V36-P44 WeakPolarHBondContact O-CA 3.44Å; V36-P44 WeakPolarHBondContact O-CB 3.32Å; V36-H45 PolarHBondContact N-O 3.47Å; V36-H45 PolarHBondContact O-N 2.67Å; V36-I118 HydrophobicContact CG1-CG1 4.27Å; V36-I118 HydrophobicContact CG2-CD1 4.38Å; V36-I118 HydrophobicContact CG2-CG1 4.19Å; V36-I118 HydrophobicContact CG2-CG2 4.28Å
37	S	97.9	Very high	96.9	Very high	18 Å²	18	48.3 Å²	48.3	13%	0.126	27%	0.269	C	S	.	.			trans	-70.4	140.5	172.6	82.3	0	0	0	0	110.4	G115 S116 H117	S37-G115 PolarHBondContact OG-O 3.34Å; S37-S116 PolarHBondContact O-OG 2.83Å; S37-H117 PolarHBondContact N-O 3.32Å; S37-H117 PolarHBondContact OG-N 2.89Å; S37-H117 PolarHBondContact OG-O 2.81Å
38	R	96.1	Very high	97	Very high	70 Å²	70	46.8 Å²	46.8	26%	0.264	26%	0.262	S	S	.	.			trans	-134.2	77.5	-178.1	52.4	174	169	-160	-14.8	111.7	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 2.98Å; R38-R41 HydrophobicContact CB-CB 4.1Å; R38-R41 WeakPolarHBondContact CD-O 3.42Å; R38-R41 HydrophobicContact CG-CB 4.15Å; R38-R41 PolarHBondContact NE-O 3.44Å; R38-R41 PolarHBondContact O-N 3.22Å; R38-E43 VanDerWaalsContact CZ-O 3.31Å; R38-E43 PolarHBondContact NE-O 3.23Å; R38-E43 PolarHBondContact NH2-O 2.81Å; R38-D63 IonicContact CZ-OD1 3.76Å; R38-D63 IonicContact CZ-OD2 3.28Å; R38-D63 VanDerWaalsContact CZ-OD2 3.28Å; R38-D63 IonicContact NH1-OD1 3.87Å; R38-D63 IonicContact NH1-OD2 2.64Å; R38-D63 PolarHBondContact NH1-OD2 3.13Å; R38-D63 VanDerWaalsContact NH2-CG 3.33Å; R38-D63 IonicContact NH2-OD1 2.97Å; R38-D63 PolarHBondContact NH2-OD1 2.91Å; R38-D63 IonicContact NH2-OD2 2.69Å; R38-D63 PolarHBondContact NH2-OD2 2.97Å
39	P	92.9	Very high	97.1	Very high	57 Å²	57	47 Å²	47	37%	0.37	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	132.4	-178.2	-29.1	35.9	0	0	0	113.1	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.02Å; P39-E113 WeakPolarHBondContact CB-O 3.37Å; P39-E113 VanDerWaalsContact CG-O 3.32Å; P39-E113 WeakPolarHBondContact CG-O 3.39Å; P39-G115 WeakPolarHBondContact CG-O 3.48Å
40	G	91.6	Very high	97.1	Very high	90 Å²	90	47 Å²	47	93%	0.928	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	2.3	-177.3	0	0	0	0	0	116	R38	R38-G40 PolarHBondContact O-N 2.98Å
41	R	93.3	Very high	97.1	Very high	205 Å²	205	48.1 Å²	48.1	77%	0.774	27%	0.267	S	S	*	.	S	Bend	trans	-123.2	23.6	-177.9	-57.6	-175	-178.2	-172.5	0.8	113.9	R38 P39	R38-R41 HydrophobicContact CB-CB 4.1Å; R38-R41 WeakPolarHBondContact CD-O 3.42Å; R38-R41 HydrophobicContact CG-CB 4.15Å; R38-R41 PolarHBondContact NE-O 3.44Å; R38-R41 PolarHBondContact O-N 3.22Å; P39-R41 PolarHBondContact O-N 3.02Å
42	G	91.8	Very high	97.1	Very high	59 Å²	59	47.9 Å²	47.9	61%	0.608	27%	0.266	S	S	*	.	S	Bend	trans	93.9	-160	178.1	0	0	0	0	0	114
43	E	94.5	Very high	97	Very high	97 Å²	97	45.1 Å²	45.1	45%	0.453	26%	0.255	S	S	.	.	S	Bend	trans	-70.8	154.2	-177.3	-59.2	-58.8	172.4	0	0	112.4	R38 H45 R99	R38-E43 VanDerWaalsContact CZ-O 3.31Å; R38-E43 PolarHBondContact NE-O 3.23Å; R38-E43 PolarHBondContact NH2-O 2.81Å; E43-H45 PolarHBondContact O-N 3.43Å; E43-R99 VanDerWaalsContact CD-CZ 3.45Å; E43-R99 VanDerWaalsContact CD-NE 3.34Å; E43-R99 IonicContact OE1-CZ 2.74Å; E43-R99 VanDerWaalsContact OE1-CZ 3.32Å; E43-R99 IonicContact OE1-NE 3.28Å; E43-R99 IonicContact OE1-NH2 2.74Å; E43-R99 PolarHBondContact OE1-NH2 2.32Å; E43-R99 IonicContact OE2-CZ 2.68Å; E43-R99 IonicContact OE2-NE 3.44Å; E43-R99 PolarHBondContact OE2-NE 2.77Å; E43-R99 IonicContact OE2-NH2 3.19Å; E43-R99 PolarHBondContact OE2-NH2 2.62Å; E43-R99 VanDerWaalsContact OE2-NH2 3.14Å
44	P	97.2	Very high	96.8	Very high	26 Å²	26	47.6 Å²	47.6	17%	0.169	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-50.9	134.5	176.1	-27.1	35.8	0	0	0	112.8	V36 F46 R99 L102	V36-P44 CarbonylContact O-C 3.48Å; V36-P44 WeakPolarHBondContact O-CA 3.44Å; V36-P44 WeakPolarHBondContact O-CB 3.32Å; P44-F46 PolarHBondContact O-N 3.43Å; P44-R99 HydrophobicContact CG-CB 4.31Å; P44-R99 HydrophobicContact CG-CG 4.19Å; P44-L102 HydrophobicContact CB-CD1 3.67Å; P44-L102 HydrophobicContact CG-CD1 3.77Å
45	H	98.4	Very high	96.7	Very high	47 Å²	47	46.9 Å²	46.9	22%	0.218	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	120.8	174.3	-178.9	-160.6	0	0	0	108.3	A35 V36 E43 D61 S62 D63	A35-H45 CarbonylContact C-O 3.58Å; A35-H45 VanDerWaalsContact CA-O 3.31Å; A35-H45 WeakPolarHBondContact CA-O 3.47Å; V36-H45 PolarHBondContact N-O 3.47Å; V36-H45 PolarHBondContact O-N 2.67Å; E43-H45 PolarHBondContact O-N 3.43Å; H45-D61 IonicContact CD2-OD1 3.07Å; H45-D61 IonicContact CE1-OD1 3.64Å; H45-D61 IonicContact NE2-OD1 2.66Å; H45-D61 PolarHBondContact NE2-OD1 2.91Å; H45-D61 IonicContact NE2-OD2 2.81Å; H45-S62 PolarHBondContact CD2-OG 3.33Å; H45-D63 IonicContact CD2-OD1 3.68Å; H45-D63 PolarHBondContact CD2-OD1 3.25Å; H45-D63 VanDerWaalsContact CD2-OD1 3.22Å; H45-D63 IonicContact CD2-OD2 2.64Å; H45-D63 IonicContact CG-OD1 3Å; H45-D63 IonicContact NE2-OD1 3.83Å
46	F	98.8	Very high	96.7	Very high	3 Å²	3	49.3 Å²	49.3	1%	0.013	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	122.5	179.2	175	-87.8	0	0	0	110.3	Y33 T34 A35 P44 A48 F60 S62 Q94 A95 D98	Y33-F46 HydrophobicContact CD1-CZ 4.19Å; Y33-F46 HydrophobicContact CD2-CE2 4.48Å; Y33-F46 HydrophobicContact CD2-CZ 4.25Å; Y33-F46 HydrophobicContact CG-CE2 4.23Å; Y33-F46 AromaticContact CG-CZ 3.96Å; Y33-F46 HydrophobicContact CG-CZ 3.96Å; T34-F46 WeakPolarHBondContact O-CA 2.94Å; A35-F46 HydrophobicContact CB-CD2 4.1Å; P44-F46 PolarHBondContact O-N 3.43Å; F46-A48 HydrophobicContact CE1-CB 3.64Å; F46-A48 HydrophobicContact CZ-CB 3.87Å; F46-F60 AromaticContact CD1-CD1 3.74Å; F46-F60 HydrophobicContact CD1-CD1 3.74Å; F46-F60 AromaticContact CD1-CE1 3.79Å; F46-F60 HydrophobicContact CD1-CE1 3.79Å; F46-F60 AromaticContact CE1-CD1 3.87Å; F46-F60 HydrophobicContact CE1-CD1 3.87Å; F46-F60 HydrophobicContact CE1-CE1 4.21Å; F46-S62 PolarHBondContact N-OG 3.41Å; F46-S62 PolarHBondContact O-N 2.91Å; F46-Q94 HydrophobicContact CE2-CB 4.22Å; F46-Q94 HydrophobicContact CE2-CG 3.65Å; F46-Q94 HydrophobicContact CZ-CB 4Å; F46-Q94 HydrophobicContact CZ-CG 3.76Å; F46-A95 HydrophobicContact CB-CB 3.77Å; F46-A95 HydrophobicContact CD1-CB 3.86Å; F46-A95 HydrophobicContact CD2-CB 4.02Å; F46-A95 HydrophobicContact CE1-CB 4.46Å; F46-A95 HydrophobicContact CG-CB 3.6Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.32Å
47	I	98.8	Very high	96.7	Very high	50 Å²	50	47.3 Å²	47.3	26%	0.256	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	137.4	171.8	-59.6	174.2	0	0	0	108.1	Y33 T34 V49	Y33-I47 WeakPolarHBondContact CA-O 3.42Å; T34-I47 PolarHBondContact N-O 3.15Å; T34-I47 PolarHBondContact O-N 3.45Å; I47-V49 HydrophobicContact CG2-CG1 4.4Å
48	A	98.8	Very high	96.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	138.7	169.7	0	0	0	0	0	110.6	F32 Y33 F46 R59 F60 Y91	F32-A48 WeakPolarHBondContact O-CA 3.01Å; Y33-A48 HydrophobicContact CD1-CB 3.26Å; Y33-A48 HydrophobicContact CE1-CB 3.42Å; Y33-A48 VanDerWaalsContact CE1-CB 3.42Å; Y33-A48 HydrophobicContact CG-CB 4.29Å; F46-A48 HydrophobicContact CE1-CB 3.64Å; F46-A48 HydrophobicContact CZ-CB 3.87Å; A48-R59 CarbonylContact O-C 3.57Å; A48-R59 WeakPolarHBondContact O-CA 3.41Å; A48-F60 HydrophobicContact CB-CB 4.24Å; A48-F60 PolarHBondContact N-O 3.24Å; A48-F60 PolarHBondContact O-N 3.13Å; A48-Y91 HydrophobicContact CB-CD1 3.7Å; A48-Y91 HydrophobicContact CB-CE1 3.86Å; A48-Y91 HydrophobicContact CB-CG 4.44Å
49	V	98.9	Very high	96.8	Very high	27 Å²	27	47.1 Å²	47.1	16%	0.164	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148.3	172.2	-62	0	0	0	0	110.2	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.44Å; F32-V49 HydrophobicContact CB-CG2 3.86Å; F32-V49 HydrophobicContact CD2-CG2 4.34Å; F32-V49 PolarHBondContact N-O 3.01Å; F32-V49 PolarHBondContact O-N 3.04Å; I47-V49 HydrophobicContact CG2-CG1 4.4Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.32Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.27Å; V49-V58 WeakPolarHBondContact CA-O 3.33Å; V49-R59 HydrophobicContact CG1-CG 4.34Å
50	G	98.7	Very high	97.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.1	176.3	0	0	0	0	0	111	R30 F57 V58	R30-G50 WeakPolarHBondContact O-CA 3.26Å; G50-F57 VanDerWaalsContact C-CD1 3.41Å; G50-F57 WeakPolarHBondContact O-CD1 3.29Å; G50-F57 PolarHBondContact O-N 2.87Å; G50-V58 PolarHBondContact N-O 3.34Å; G50-V58 PolarHBondContact O-N 2.02Å
51	Y	98.7	Very high	97.4	Very high	73 Å²	73	41.4 Å²	41.4	29%	0.286	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	143.5	-175.9	-78.1	-106	0	0	0	110.4	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.43Å; R30-Y51 PolarHBondContact N-O 2.92Å; R30-Y51 PolarHBondContact O-N 3.49Å; F32-Y51 HydrophobicContact CD2-CD2 4.15Å; F32-Y51 HydrophobicContact CE2-CD2 4.16Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.32Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; Y51-T55 WeakPolarHBondContact CA-O 3.43Å; Y51-Q56 HydrophobicContact CD1-CB 4.1Å; Y51-Q56 HydrophobicContact CD2-CB 4.41Å; Y51-Q56 HydrophobicContact CD2-CG 4.24Å; Y51-Q56 HydrophobicContact CE1-CB 3.67Å; Y51-Q56 HydrophobicContact CE1-CG 4.4Å; Y51-Q56 HydrophobicContact CE2-CB 4Å; Y51-Q56 HydrophobicContact CE2-CG 3.8Å; Y51-Q56 HydrophobicContact CG-CB 4.44Å
52	V	98.4	Very high	97.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	117.8	157.1	174.4	0	0	0	0	105.5	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.18Å; M29-V52 HydrophobicContact CB-CG2 4.47Å; M29-V52 HydrophobicContact CG-CG2 4.28Å; V52-D54 PolarHBondContact O-N 3Å; V52-T55 PolarHBondContact N-O 2.83Å; V52-T55 WeakPolarHBondContact O-CB 3.34Å; V52-T55 PolarHBondContact O-N 2.87Å; V52-F57 HydrophobicContact CG2-CD1 3.94Å; V52-F57 HydrophobicContact CG2-CE1 3.96Å; V52-W75 HydrophobicContact CB-CH2 4.25Å; V52-W75 HydrophobicContact CB-CZ2 4.34Å; V52-W75 HydrophobicContact CG2-CH2 3.84Å; V52-W75 HydrophobicContact CG2-CZ2 4.42Å; V52-L192 HydrophobicContact CG1-CD1 3.59Å; V52-L192 HydrophobicContact CG2-CD1 4.21Å; V52-Y195 HydrophobicContact CG2-CD2 3.75Å; V52-Y195 HydrophobicContact CG2-CG 4.33Å; V52-L196 HydrophobicContact CG1-CD2 4Å; V52-L203 HydrophobicContact CB-CD1 4.34Å; V52-L203 HydrophobicContact CB-CD2 4.24Å; V52-L203 HydrophobicContact CG1-CD1 3.89Å; V52-L203 HydrophobicContact CG1-CD2 4.11Å
53	D	96.4	Very high	97.9	Very high	30 Å²	30	34.1 Å²	34.1	16%	0.16	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	-133.9	-166.3	-52.9	-46.2	0	0	0	110.4	H27 S28 T55	H27-D53 WeakPolarHBondContact CA-OD1 3.47Å; H27-D53 IonicContact CE1-OD2 3.36Å; H27-D53 IonicContact CG-OD2 3.09Å; H27-D53 IonicContact ND1-OD2 2.74Å; H27-D53 PolarHBondContact ND1-OD2 3.01Å; S28-D53 PolarHBondContact N-OD1 3.42Å; S28-D53 PolarHBondContact O-N 2.83Å; S28-D53 PolarHBondContact OG-OD1 2.81Å; D53-T55 PolarHBondContact O-N 3.02Å
54	D	96.2	Very high	98.1	Very high	61 Å²	61	31.3 Å²	31.3	33%	0.326	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	1.5	178.3	-65	-61.9	0	0	0	114.3	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3Å; D54-Y233 HydrophobicContact CB-CE2 3.96Å; D54-P234 VanDerWaalsContact OD2-CB 3.32Å; D54-P234 WeakPolarHBondContact OD2-CB 3.43Å; D54-A235 HydrophobicContact CB-CB 4.34Å; D54-A235 VanDerWaalsContact CG-CB 3.43Å; D54-A235 WeakPolarHBondContact OD1-CB 3.09Å; D54-A235 WeakPolarHBondContact OD2-CB 3.41Å; D54-A235 PolarHBondContact OD2-N 3.25Å; D54-F265 HydrophobicContact CB-CE2 3.71Å; D54-F265 HydrophobicContact CB-CZ 3.77Å
55	T	97	Very high	98.1	Very high	28 Å²	28	35.6 Å²	35.6	17%	0.172	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	111.7	-175.7	-60.9	0	0	0	0	112.3	Y51 V52 D53 F57 A73 W75 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.43Å; V52-T55 PolarHBondContact N-O 2.83Å; V52-T55 WeakPolarHBondContact O-CB 3.34Å; V52-T55 PolarHBondContact O-N 2.87Å; D53-T55 PolarHBondContact O-N 3.02Å; T55-F57 PolarHBondContact O-N 2.8Å; T55-A73 HydrophobicContact CG2-CB 4.27Å; T55-W75 HydrophobicContact CG2-CZ2 4.44Å; T55-L203 HydrophobicContact CG2-CD2 4.03Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.39Å; T55-Y233 PolarHBondContact OG1-OH 2.79Å
56	Q	97.8	Very high	97.9	Very high	52 Å²	52	37.3 Å²	37.3	24%	0.243	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	125.7	170.8	-166	-175.4	1.7	0	0	110.7	V49 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.27Å; Y51-Q56 HydrophobicContact CD1-CB 4.1Å; Y51-Q56 HydrophobicContact CD2-CB 4.41Å; Y51-Q56 HydrophobicContact CD2-CG 4.24Å; Y51-Q56 HydrophobicContact CE1-CB 3.67Å; Y51-Q56 HydrophobicContact CE1-CG 4.4Å; Y51-Q56 HydrophobicContact CE2-CB 4Å; Y51-Q56 HydrophobicContact CE2-CG 3.8Å; Y51-Q56 HydrophobicContact CG-CB 4.44Å; Q56-V58 PolarHBondContact NE2-O 2.89Å; Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.42Å; Q56-R72 CarbonylContact O-C 3.55Å
57	F	98.2	Very high	97.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-20.6	177.9	75.2	-89.1	0	0	0	114.3	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.34Å; M29-F57 HydrophobicContact SD-CZ 4.31Å; Y31-F57 HydrophobicContact CE1-CZ 4.09Å; Y31-F57 AromaticContact CZ-CZ 3.87Å; G50-F57 VanDerWaalsContact C-CD1 3.41Å; G50-F57 WeakPolarHBondContact O-CD1 3.29Å; G50-F57 PolarHBondContact O-N 2.87Å; V52-F57 HydrophobicContact CG2-CD1 3.94Å; V52-F57 HydrophobicContact CG2-CE1 3.96Å; T55-F57 PolarHBondContact O-N 2.8Å; F57-R72 PolarHBondContact O-N 3.42Å; F57-A73 HydrophobicContact CB-CB 4.2Å; F57-W75 HydrophobicContact CB-CH2 3.17Å; F57-W75 HydrophobicContact CB-CZ2 3.47Å; F57-W75 VanDerWaalsContact CB-CZ2 3.47Å; F57-W75 HydrophobicContact CB-CZ3 3.88Å; F57-W75 AromaticContact CD1-CH2 3.93Å; F57-W75 HydrophobicContact CD1-CH2 3.93Å; F57-W75 HydrophobicContact CD2-CH2 4.08Å; F57-W75 HydrophobicContact CD2-CZ3 4.25Å; F57-W75 AromaticContact CG-CH2 3.49Å; F57-W75 HydrophobicContact CG-CH2 3.49Å; F57-W75 VanDerWaalsContact CG-CH2 3.49Å; F57-W75 HydrophobicContact CG-CZ2 4.24Å; F57-W75 HydrophobicContact CG-CZ3 4.11Å; F57-V76 HydrophobicContact CB-CG1 4.35Å; F57-V76 HydrophobicContact CD2-CB 4.47Å; F57-V76 HydrophobicContact CD2-CG1 4.38Å; F57-V76 HydrophobicContact CD2-CG2 4.22Å; F57-V76 VanDerWaalsContact O-CG1 3.3Å; F57-V76 WeakPolarHBondContact O-CG1 3.41Å; F57-Y195 HydrophobicContact CD2-CE2 4.42Å; F57-Y195 HydrophobicContact CE1-CE2 4.36Å; F57-Y195 HydrophobicContact CE2-CD2 4.39Å; F57-Y195 AromaticContact CE2-CE2 3.65Å; F57-Y195 HydrophobicContact CE2-CE2 3.65Å; F57-Y195 AromaticContact CE2-CZ 3.84Å; F57-Y195 HydrophobicContact CZ-CD2 4.25Å; F57-Y195 AromaticContact CZ-CE2 3.61Å; F57-Y195 HydrophobicContact CZ-CE2 3.61Å
58	V	98.4	Very high	97.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	148	-179.1	63.1	0	0	0	0	112.9	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG1 4.14Å; V49-V58 WeakPolarHBondContact CA-O 3.33Å; G50-V58 PolarHBondContact N-O 3.34Å; G50-V58 PolarHBondContact O-N 2.02Å; Q56-V58 PolarHBondContact NE2-O 2.89Å; V58-E70 WeakPolarHBondContact CA-O 3.45Å; V58-W84 HydrophobicContact CG2-CZ3 4.11Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.38Å; V58-Y91 HydrophobicContact CG2-CE2 4.19Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.4Å
59	R	98.4	Very high	97.7	Very high	84 Å²	84	43.8 Å²	43.8	32%	0.317	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	149.7	166.2	-177.3	174.6	176.1	134.2	-1.7	110.2	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.57Å; A48-R59 WeakPolarHBondContact O-CA 3.41Å; V49-R59 HydrophobicContact CG1-CG 4.34Å; R59-D61 IonicContact CZ-OD2 3.45Å; R59-D61 IonicContact NE-OD2 2.81Å; R59-D61 IonicContact NH2-OD2 3.13Å; R59-D61 PolarHBondContact NH2-OD2 2.7Å; R59-E70 PolarHBondContact N-O 3.31Å; R59-E70 PolarHBondContact O-N 3.34Å; R59-R72 HydrophobicContact CB-CG 4.03Å
60	F	98.8	Very high	97.7	Very high	3 Å²	3	44.9 Å²	44.9	1%	0.013	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	146.2	158.6	173	-76.8	0	0	0	108.3	F46 A48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.74Å; F46-F60 HydrophobicContact CD1-CD1 3.74Å; F46-F60 AromaticContact CD1-CE1 3.79Å; F46-F60 HydrophobicContact CD1-CE1 3.79Å; F46-F60 AromaticContact CE1-CD1 3.87Å; F46-F60 HydrophobicContact CE1-CD1 3.87Å; F46-F60 HydrophobicContact CE1-CE1 4.21Å; A48-F60 HydrophobicContact CB-CB 4.24Å; A48-F60 PolarHBondContact N-O 3.24Å; A48-F60 PolarHBondContact O-N 3.13Å; F60-P67 HydrophobicContact CE1-CB 4.45Å; F60-P67 HydrophobicContact CE2-CB 3.91Å; F60-P67 HydrophobicContact CZ-CB 3.65Å; F60-R68 WeakPolarHBondContact CD2-O 3.26Å; F60-Y91 HydrophobicContact CB-CD1 4.39Å; F60-Y91 HydrophobicContact CB-CD2 3.47Å; F60-Y91 VanDerWaalsContact CB-CD2 3.47Å; F60-Y91 HydrophobicContact CB-CE2 3.97Å; F60-Y91 HydrophobicContact CB-CG 3.72Å; F60-Y91 HydrophobicContact CD1-CG 4.44Å; F60-Y91 AromaticContact CD2-CD2 3.68Å; F60-Y91 HydrophobicContact CD2-CD2 3.68Å; F60-Y91 AromaticContact CD2-CG 3.96Å; F60-Y91 HydrophobicContact CD2-CG 3.96Å; F60-Y91 AromaticContact CG-CD2 3.78Å; F60-Y91 HydrophobicContact CG-CD2 3.78Å; F60-Y91 AromaticContact CG-CG 3.8Å; F60-Y91 HydrophobicContact CG-CG 3.8Å; F60-K92 HydrophobicContact CE2-CG 4.01Å; F60-K92 HydrophobicContact CZ-CG 3.87Å
61	D	98.6	Very high	97.6	Very high	25 Å²	25	47.3 Å²	47.3	13%	0.134	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	123.1	179.8	-160.7	-46	0	0	0	109.2	H45 R59 D63 A64	H45-D61 IonicContact CD2-OD1 3.07Å; H45-D61 IonicContact CE1-OD1 3.64Å; H45-D61 IonicContact NE2-OD1 2.66Å; H45-D61 PolarHBondContact NE2-OD1 2.91Å; H45-D61 IonicContact NE2-OD2 2.81Å; R59-D61 IonicContact CZ-OD2 3.45Å; R59-D61 IonicContact NE-OD2 2.81Å; R59-D61 IonicContact NH2-OD2 3.13Å; R59-D61 PolarHBondContact NH2-OD2 2.7Å; D61-D63 PolarHBondContact O-N 3.2Å; D61-D63 PolarHBondContact OD1-N 2.97Å; D61-D63 VanDerWaalsContact OD1-N 3.15Å; D61-A64 HydrophobicContact CB-CB 4.35Å; D61-A64 PolarHBondContact O-N 2.83Å
62	S	98.3	Very high	97.6	Very high	34 Å²	34	49.8 Å²	49.8	24%	0.238	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-20	-177.5	69	0	0	0	0	113.8	H45 F46 P67	H45-S62 PolarHBondContact CD2-OG 3.33Å; F46-S62 PolarHBondContact N-OG 3.41Å; F46-S62 PolarHBondContact O-N 2.91Å; S62-P67 WeakPolarHBondContact O-CG 3.2Å
63	D	97.5	Very high	97.5	Very high	77 Å²	77	50 Å²	50	41%	0.412	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-2.3	-174.5	-76.5	32.7	0	0	0	112.5	R38 H45 D61	R38-D63 IonicContact CZ-OD1 3.76Å; R38-D63 IonicContact CZ-OD2 3.28Å; R38-D63 VanDerWaalsContact CZ-OD2 3.28Å; R38-D63 IonicContact NH1-OD1 3.87Å; R38-D63 IonicContact NH1-OD2 2.64Å; R38-D63 PolarHBondContact NH1-OD2 3.13Å; R38-D63 VanDerWaalsContact NH2-CG 3.33Å; R38-D63 IonicContact NH2-OD1 2.97Å; R38-D63 PolarHBondContact NH2-OD1 2.91Å; R38-D63 IonicContact NH2-OD2 2.69Å; R38-D63 PolarHBondContact NH2-OD2 2.97Å; H45-D63 IonicContact CD2-OD1 3.68Å; H45-D63 PolarHBondContact CD2-OD1 3.25Å; H45-D63 VanDerWaalsContact CD2-OD1 3.22Å; H45-D63 IonicContact CD2-OD2 2.64Å; H45-D63 IonicContact CG-OD1 3Å; H45-D63 IonicContact NE2-OD1 3.83Å; D61-D63 PolarHBondContact O-N 3.2Å; D61-D63 PolarHBondContact OD1-N 2.97Å; D61-D63 VanDerWaalsContact OD1-N 3.15Å
64	A	97.3	Very high	97.5	Very high	37 Å²	37	53.3 Å²	53.3	31%	0.306	30%	0.298	S	S	.	.	S	Bend	trans	-61.4	147.1	169.2	0	0	0	0	0	111.1	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.35Å; D61-A64 PolarHBondContact O-N 2.83Å; A64-S66 PolarHBondContact O-N 3.22Å; A64-P67 WeakPolarHBondContact O-CD 3.38Å; A64-P67 VanDerWaalsContact O-CG 3.31Å; A64-P67 WeakPolarHBondContact O-CG 3.44Å
65	A	96.8	Very high	97.4	Very high	117 Å²	117	51 Å²	51	97%	0.967	29%	0.285	S	S	*	.	S	Bend	trans	-60.8	-18.2	-179	0	0	0	0	0	114.3
66	S	95.9	Very high	97.4	Very high	82 Å²	82	49.7 Å²	49.7	57%	0.573	28%	0.277	S	S	*	.	S	Bend	trans	-144.2	90	168.2	-172.2	0	0	0	0	109.3	A64 R68	A64-S66 PolarHBondContact O-N 3.22Å; S66-R68 PolarHBondContact O-N 3.09Å; S66-R68 VanDerWaalsContact O-N 3.15Å
67	P	97	Very high	97.3	Very high	36 Å²	36	53 Å²	53	23%	0.234	29%	0.292	C	S	.	.			trans	-64.5	116	-173.4	-25.7	36.8	0	0	0	111.9	F60 S62 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.45Å; F60-P67 HydrophobicContact CE2-CB 3.91Å; F60-P67 HydrophobicContact CZ-CB 3.65Å; S62-P67 WeakPolarHBondContact O-CG 3.2Å; A64-P67 WeakPolarHBondContact O-CD 3.38Å; A64-P67 VanDerWaalsContact O-CG 3.31Å; A64-P67 WeakPolarHBondContact O-CG 3.44Å; P67-K92 WeakPolarHBondContact O-CE 3.4Å; P67-K92 PolarHBondContact O-NZ 2.95Å
68	R	97.7	Very high	97.2	Very high	148 Å²	148	58.9 Å²	58.9	56%	0.558	32%	0.32	S	S	*	.			trans	-149.6	163.3	179.1	63.5	-176.9	176.1	172.6	0.3	110.3	F60 S66 E70 T88	F60-R68 WeakPolarHBondContact CD2-O 3.26Å; S66-R68 PolarHBondContact O-N 3.09Å; S66-R68 VanDerWaalsContact O-N 3.15Å; R68-E70 HydrophobicContact CG-CG 4.13Å; R68-T88 HydrophobicContact CB-CG2 4.27Å
69	G	97.5	Very high	97.1	Very high	5 Å²	5	59.4 Å²	59.4	5%	0.052	32%	0.322	C	S	.	.			trans	-67	132.8	165.3	0	0	0	0	0	109.5	T88	G69-T88 PolarHBondContact N-OG1 2.72Å
70	E	97.7	Very high	96.9	Very high	51 Å²	51	57.1 Å²	57.1	24%	0.238	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	134.7	-178.9	-60.7	-174.6	142	0	0	110.4	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.45Å; R59-E70 PolarHBondContact N-O 3.31Å; R59-E70 PolarHBondContact O-N 3.34Å; R68-E70 HydrophobicContact CG-CG 4.13Å; E70-R72 IonicContact OE2-CZ 2.78Å; E70-R72 IonicContact OE2-NH2 3.19Å; E70-R72 PolarHBondContact OE2-NH2 3.15Å
71	P	97.9	Very high	96.9	Very high	50 Å²	50	61.8 Å²	61.8	33%	0.325	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	147.8	173.9	28.4	-34.7	0	0	0	111.4	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.91Å; P71-E77 HydrophobicContact CB-CG 3.62Å; P71-E77 HydrophobicContact CG-CG 3.88Å; P71-W84 HydrophobicContact CB-CH2 3.69Å; P71-W84 HydrophobicContact CB-CZ2 3.9Å; P71-W84 HydrophobicContact CG-CH2 4.29Å; P71-W84 HydrophobicContact CG-CZ2 4.34Å
72	R	97.4	Very high	96.8	Very high	125 Å²	125	68.6 Å²	68.6	47%	0.472	39%	0.386	S	S	.	.	S	Bend	trans	-131.5	-2.8	174.4	-59.6	-66.3	164	175	-4.1	113.5	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.42Å; Q56-R72 CarbonylContact O-C 3.55Å; F57-R72 PolarHBondContact O-N 3.42Å; R59-R72 HydrophobicContact CB-CG 4.03Å; E70-R72 IonicContact OE2-CZ 2.78Å; E70-R72 IonicContact OE2-NH2 3.19Å; E70-R72 PolarHBondContact OE2-NH2 3.15Å
73	A	96.1	Very high	96.8	Very high	4 Å²	4	67.3 Å²	67.3	3%	0.033	38%	0.376	C	S	.	.	S	Bend	trans	-136.7	141	170.5	0	0	0	0	0	110.6	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.27Å; F57-A73 HydrophobicContact CB-CB 4.2Å; A73-W75 HydrophobicContact CB-CD2 4.23Å; A73-W75 HydrophobicContact CB-CG 4.39Å; A73-W75 HydrophobicContact CB-CZ2 4.11Å; A73-W75 PolarHBondContact O-N 3.12Å; A73-W75 VanDerWaalsContact O-N 3.15Å; A73-V76 WeakPolarHBondContact O-CG1 3.31Å; A73-V76 PolarHBondContact O-N 3.44Å
74	P	96	Very high	96.8	Very high	100 Å²	100	65.6 Å²	65.6	65%	0.649	36%	0.364	S	S	*	.	H	α-helix	trans	-58.4	-32.7	-174.9	-27.2	35.3	0	0	0	114.3	V76 E77	P74-V76 PolarHBondContact O-N 3.48Å; P74-E77 WeakPolarHBondContact O-CB 3.38Å; P74-E77 PolarHBondContact O-N 2.93Å; P74-E77 VanDerWaalsContact O-N 3.08Å
75	W	95.7	Very high	96.8	Very high	14 Å²	14	68.7 Å²	68.7	5%	0.053	38%	0.376	C	S	.	.	H	α-helix	trans	-69.9	-11.3	-176.3	54.6	-107.9	0	0	0	114.9	V52 T55 F57 A73 Q78 Y195 N198 G199 T202 L203	V52-W75 HydrophobicContact CB-CH2 4.25Å; V52-W75 HydrophobicContact CB-CZ2 4.34Å; V52-W75 HydrophobicContact CG2-CH2 3.84Å; V52-W75 HydrophobicContact CG2-CZ2 4.42Å; T55-W75 HydrophobicContact CG2-CZ2 4.44Å; F57-W75 HydrophobicContact CB-CH2 3.17Å; F57-W75 HydrophobicContact CB-CZ2 3.47Å; F57-W75 VanDerWaalsContact CB-CZ2 3.47Å; F57-W75 HydrophobicContact CB-CZ3 3.88Å; F57-W75 AromaticContact CD1-CH2 3.93Å; F57-W75 HydrophobicContact CD1-CH2 3.93Å; F57-W75 HydrophobicContact CD2-CH2 4.08Å; F57-W75 HydrophobicContact CD2-CZ3 4.25Å; F57-W75 AromaticContact CG-CH2 3.49Å; F57-W75 HydrophobicContact CG-CH2 3.49Å; F57-W75 VanDerWaalsContact CG-CH2 3.49Å; F57-W75 HydrophobicContact CG-CZ2 4.24Å; F57-W75 HydrophobicContact CG-CZ3 4.11Å; A73-W75 HydrophobicContact CB-CD2 4.23Å; A73-W75 HydrophobicContact CB-CG 4.39Å; A73-W75 HydrophobicContact CB-CZ2 4.11Å; A73-W75 PolarHBondContact O-N 3.12Å; A73-W75 VanDerWaalsContact O-N 3.15Å; W75-Q78 WeakPolarHBondContact O-CG 3.4Å; W75-Q78 PolarHBondContact O-NE2 2.84Å; W75-Y195 HydrophobicContact CE3-CD1 4.24Å; W75-Y195 HydrophobicContact CE3-CG 4.4Å; W75-Y195 HydrophobicContact CH2-CD1 4.5Å; W75-Y195 HydrophobicContact CH2-CD2 4.35Å; W75-Y195 HydrophobicContact CH2-CG 4.01Å; W75-Y195 VanDerWaalsContact CZ3-CB 3.5Å; W75-Y195 AromaticContact CZ3-CD1 3.57Å; W75-Y195 HydrophobicContact CZ3-CD1 3.57Å; W75-Y195 HydrophobicContact CZ3-CD2 4.17Å; W75-Y195 HydrophobicContact CZ3-CE1 4.33Å; W75-Y195 AromaticContact CZ3-CG 3.48Å; W75-Y195 HydrophobicContact CZ3-CG 3.48Å; W75-Y195 VanDerWaalsContact CZ3-CG 3.48Å; W75-N198 HydrophobicContact CB-CB 4.48Å; W75-G199 VanDerWaalsContact CB-CA 3.42Å; W75-G199 VanDerWaalsContact CG-CA 3.43Å; W75-T202 PolarHBondContact NE1-OG1 2.87Å; W75-L203 HydrophobicContact CD2-CD1 4.36Å; W75-L203 HydrophobicContact CH2-CD1 4.3Å; W75-L203 HydrophobicContact CZ2-CD1 3.72Å; W75-L203 HydrophobicContact CZ2-CD2 4.02Å; W75-L203 HydrophobicContact CZ2-CG 4.3Å
76	V	97.3	Very high	96.8	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-99.5	-13	170.7	76.6	0	0	0	0	112.8	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.35Å; F57-V76 HydrophobicContact CD2-CB 4.47Å; F57-V76 HydrophobicContact CD2-CG1 4.38Å; F57-V76 HydrophobicContact CD2-CG2 4.22Å; F57-V76 VanDerWaalsContact O-CG1 3.3Å; F57-V76 WeakPolarHBondContact O-CG1 3.41Å; P71-V76 HydrophobicContact CB-CG1 3.91Å; A73-V76 WeakPolarHBondContact O-CG1 3.31Å; A73-V76 PolarHBondContact O-N 3.44Å; P74-V76 PolarHBondContact O-N 3.48Å; V76-Q78 PolarHBondContact O-N 2.94Å; V76-E79 HydrophobicContact CG2-CB 4.39Å; V76-E79 HydrophobicContact CG2-CG 3.71Å; V76-E79 VanDerWaalsContact O-CB 3.3Å; V76-E79 WeakPolarHBondContact O-CB 3.2Å; V76-E79 WeakPolarHBondContact O-CG 3.11Å; V76-E79 PolarHBondContact O-N 2.82Å; V76-Y83 HydrophobicContact CG2-CE1 4.04Å; V76-W84 HydrophobicContact CG1-CH2 3.94Å; V76-W84 HydrophobicContact CG1-CZ2 4.11Å; V76-W84 HydrophobicContact CG2-CH2 4.17Å; V76-W84 HydrophobicContact CG2-CZ2 4.07Å; V76-W84 WeakPolarHBondContact O-CZ2 3.39Å; V76-Y195 HydrophobicContact CG2-CE1 4.23Å
77	E	95.6	Very high	96.9	Very high	121 Å²	121	64 Å²	64	57%	0.565	32%	0.32	S	S	*	.	H	α-helix	trans	-63.2	-24.8	178.1	-64.3	-179	-171.1	0	0	112.9	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.62Å; P71-E77 HydrophobicContact CG-CG 3.88Å; P74-E77 WeakPolarHBondContact O-CB 3.38Å; P74-E77 PolarHBondContact O-N 2.93Å; P74-E77 VanDerWaalsContact O-N 3.08Å; E77-E79 PolarHBondContact O-N 3.28Å
78	Q	94.3	Very high	97	Very high	123 Å²	123	62.8 Å²	62.8	58%	0.575	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-7.4	173.1	69.1	-173	-45.3	0	0	114.6	W75 V76	W75-Q78 WeakPolarHBondContact O-CG 3.4Å; W75-Q78 PolarHBondContact O-NE2 2.84Å; V76-Q78 PolarHBondContact O-N 2.94Å
79	E	96.7	Very high	97	Very high	12 Å²	12	60.7 Å²	60.7	6%	0.056	31%	0.309	C	S	.	.	S	Bend	trans	-71.6	132.9	175.4	-68	-61.1	156.3	0	0	111.2	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CB 4.39Å; V76-E79 HydrophobicContact CG2-CG 3.71Å; V76-E79 VanDerWaalsContact O-CB 3.3Å; V76-E79 WeakPolarHBondContact O-CB 3.2Å; V76-E79 WeakPolarHBondContact O-CG 3.11Å; V76-E79 PolarHBondContact O-N 2.82Å; E77-E79 PolarHBondContact O-N 3.28Å; E79-Y83 HydrophobicContact CB-CD1 3.48Å; E79-Y83 VanDerWaalsContact CB-CD1 3.48Å; E79-Y83 HydrophobicContact CB-CD2 4.44Å; E79-Y83 HydrophobicContact CB-CE1 4.06Å; E79-Y83 HydrophobicContact CB-CG 3.73Å; E79-Y83 HydrophobicContact CG-CD1 4.11Å; E79-Y83 HydrophobicContact CG-CD2 4.43Å; E79-Y83 HydrophobicContact CG-CE1 4.3Å; E79-Y83 HydrophobicContact CG-CG 4.2Å; E79-W84 VanDerWaalsContact O-CD1 3.22Å; E79-W84 PolarHBondContact O-NE1 3.38Å; E79-R194 IonicContact OE1-CZ 3.65Å; E79-R194 VanDerWaalsContact OE1-CZ 3.28Å; E79-R194 IonicContact OE1-NE 2.74Å; E79-R194 PolarHBondContact OE1-NE 3.02Å; E79-R194 IonicContact OE1-NH2 2.7Å; E79-R194 PolarHBondContact OE1-NH2 3.34Å; E79-R194 IonicContact OE2-CZ 2.77Å; E79-R194 IonicContact OE2-NE 2.78Å; E79-R194 IonicContact OE2-NH2 3.09Å; E79-R194 PolarHBondContact OE2-NH2 2.95Å; E79-N198 PolarHBondContact OE1-ND2 2.74Å
80	G	95.9	Very high	97	Very high	36 Å²	36	63.5 Å²	63.5	37%	0.371	32%	0.32	S	S	.	.			trans	-69.1	169	-172.8	0	0	0	0	0	114.7	E82 Y83 W84	G80-E82 VanDerWaalsContact C-N 3.26Å; G80-E82 PolarHBondContact O-N 3Å; G80-Y83 WeakPolarHBondContact O-CB 3.4Å; G80-Y83 PolarHBondContact O-N 3.39Å; G80-W84 PolarHBondContact O-N 2.87Å
81	P	96.8	Very high	97	Very high	100 Å²	100	61 Å²	61	65%	0.649	31%	0.308	S	S	*	.	H	α-helix	trans	-57.1	-37.2	-176.8	22.5	-33.4	0	0	0	113.1	Y83 W84 D85	P81-Y83 PolarHBondContact O-N 2.96Å; P81-W84 PolarHBondContact O-N 3.11Å; P81-W84 VanDerWaalsContact O-N 3.09Å; P81-D85 PolarHBondContact O-N 3.15Å
82	E	97.3	Very high	97	Very high	169 Å²	169	62.5 Å²	62.5	79%	0.79	31%	0.31	S	S	*	.	H	α-helix	trans	-57.8	-33.5	176.5	-61.2	-178	178.5	0	0	113.4	G80 R86	G80-E82 VanDerWaalsContact C-N 3.26Å; G80-E82 PolarHBondContact O-N 3Å; E82-R86 WeakPolarHBondContact O-CB 3.33Å; E82-R86 PolarHBondContact O-N 3.07Å; E82-R86 VanDerWaalsContact O-N 3.13Å
83	Y	97.4	Very high	97.1	Very high	7 Å²	7	64.1 Å²	64.1	3%	0.027	32%	0.316	C	S	.	.	H	α-helix	trans	-67.5	-53.3	173.3	167	-90.2	0	0	0	109.8	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.04Å; E79-Y83 HydrophobicContact CB-CD1 3.48Å; E79-Y83 VanDerWaalsContact CB-CD1 3.48Å; E79-Y83 HydrophobicContact CB-CD2 4.44Å; E79-Y83 HydrophobicContact CB-CE1 4.06Å; E79-Y83 HydrophobicContact CB-CG 3.73Å; E79-Y83 HydrophobicContact CG-CD1 4.11Å; E79-Y83 HydrophobicContact CG-CD2 4.43Å; E79-Y83 HydrophobicContact CG-CE1 4.3Å; E79-Y83 HydrophobicContact CG-CG 4.2Å; G80-Y83 WeakPolarHBondContact O-CB 3.4Å; G80-Y83 PolarHBondContact O-N 3.39Å; P81-Y83 PolarHBondContact O-N 2.96Å; Y83-D85 PolarHBondContact O-N 3.23Å; Y83-R86 VanDerWaalsContact CD2-NH2 3.32Å; Y83-R86 PolarHBondContact O-N 2.66Å; Y83-R86 VanDerWaalsContact O-N 3.16Å; Y83-E87 HydrophobicContact CD1-CG 4.4Å; Y83-E87 HydrophobicContact CD2-CG 4.08Å; Y83-E87 HydrophobicContact CE1-CG 4.05Å; Y83-E87 HydrophobicContact CE2-CG 3.67Å; Y83-E87 HydrophobicContact CG-CG 4.4Å; Y83-E87 WeakPolarHBondContact O-CG 3.15Å; Y83-E87 PolarHBondContact O-N 3.26Å; Y83-W191 HydrophobicContact CD2-CE3 4.48Å; Y83-W191 AromaticContact CD2-CH2 3.72Å; Y83-W191 HydrophobicContact CD2-CH2 3.72Å; Y83-W191 HydrophobicContact CD2-CZ2 4.48Å; Y83-W191 AromaticContact CD2-CZ3 3.7Å; Y83-W191 HydrophobicContact CD2-CZ3 3.7Å; Y83-W191 HydrophobicContact CE2-CE3 4.19Å; Y83-W191 HydrophobicContact CE2-CH2 4.24Å; Y83-W191 AromaticContact CE2-CZ3 3.82Å; Y83-W191 HydrophobicContact CE2-CZ3 3.82Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.28Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.16Å; Y83-Y195 PolarHBondContact OH-OH 3.46Å; Y83-Y195 VanDerWaalsContact OH-OH 3.04Å
84	W	98	Very high	97.2	Very high	40 Å²	40	65.1 Å²	65.1	15%	0.152	32%	0.32	C	S	.	.	H	α-helix	trans	-63.4	-37.7	-176.8	-67.5	108	0	0	0	113.4	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 4.11Å; P71-W84 HydrophobicContact CB-CH2 3.69Å; P71-W84 HydrophobicContact CB-CZ2 3.9Å; P71-W84 HydrophobicContact CG-CH2 4.29Å; P71-W84 HydrophobicContact CG-CZ2 4.34Å; V76-W84 HydrophobicContact CG1-CH2 3.94Å; V76-W84 HydrophobicContact CG1-CZ2 4.11Å; V76-W84 HydrophobicContact CG2-CH2 4.17Å; V76-W84 HydrophobicContact CG2-CZ2 4.07Å; V76-W84 WeakPolarHBondContact O-CZ2 3.39Å; E79-W84 VanDerWaalsContact O-CD1 3.22Å; E79-W84 PolarHBondContact O-NE1 3.38Å; G80-W84 PolarHBondContact O-N 2.87Å; P81-W84 PolarHBondContact O-N 3.11Å; P81-W84 VanDerWaalsContact O-N 3.09Å; W84-T88 WeakPolarHBondContact O-CB 3.11Å; W84-T88 PolarHBondContact O-N 3.45Å; W84-T88 PolarHBondContact O-OG1 3.36Å
85	D	97.9	Very high	97.3	Very high	103 Å²	103	61.2 Å²	61.2	55%	0.551	30%	0.295	S	S	*	.	H	α-helix	trans	-65	-47.8	172.3	-78.8	-34.1	0	0	0	111.2	P81 Y83 E87 T88 Q89	P81-D85 PolarHBondContact O-N 3.15Å; Y83-D85 PolarHBondContact O-N 3.23Å; D85-E87 PolarHBondContact O-N 2.84Å; D85-T88 WeakPolarHBondContact O-CB 3.32Å; D85-T88 PolarHBondContact O-N 2.74Å; D85-Q89 VanDerWaalsContact O-CG 3.28Å; D85-Q89 WeakPolarHBondContact O-CG 3.45Å; D85-Q89 PolarHBondContact O-N 2.73Å
86	R	97.2	Very high	97.4	Very high	97 Å²	97	65.3 Å²	65.3	37%	0.366	32%	0.315	S	S	.	.	H	α-helix	trans	-62.4	-43.8	179.9	-174.8	-170.5	69.6	-149.3	-0.1	112.5	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.33Å; E82-R86 PolarHBondContact O-N 3.07Å; E82-R86 VanDerWaalsContact O-N 3.13Å; Y83-R86 VanDerWaalsContact CD2-NH2 3.32Å; Y83-R86 PolarHBondContact O-N 2.66Å; Y83-R86 VanDerWaalsContact O-N 3.16Å; R86-Q89 PolarHBondContact O-N 3.31Å; R86-K90 WeakPolarHBondContact O-CG 3.37Å; R86-K90 PolarHBondContact O-N 2.94Å
87	E	97.4	Very high	97.4	Very high	3 Å²	3	68.7 Å²	68.7	1%	0.014	34%	0.336	C	S	.	.	H	α-helix	trans	-68.1	-41.1	175.9	-57.5	-41.5	117.5	0	0	111	Y83 D85 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.4Å; Y83-E87 HydrophobicContact CD2-CG 4.08Å; Y83-E87 HydrophobicContact CE1-CG 4.05Å; Y83-E87 HydrophobicContact CE2-CG 3.67Å; Y83-E87 HydrophobicContact CG-CG 4.4Å; Y83-E87 WeakPolarHBondContact O-CG 3.15Å; Y83-E87 PolarHBondContact O-N 3.26Å; D85-E87 PolarHBondContact O-N 2.84Å; E87-Q89 VanDerWaalsContact C-N 3.29Å; E87-Q89 PolarHBondContact O-N 2.82Å; E87-K90 WeakPolarHBondContact O-CB 3.45Å; E87-K90 PolarHBondContact O-N 2.86Å; E87-K90 IonicContact OE1-NZ 3.8Å; E87-K90 PolarHBondContact OE1-NZ 2.94Å; E87-K90 WeakPolarHBondContact OE2-CD 3.46Å; E87-K90 WeakPolarHBondContact OE2-CE 3.33Å; E87-K90 IonicContact OE2-NZ 2.88Å; E87-K90 PolarHBondContact OE2-NZ 2.78Å; E87-Y91 HydrophobicContact CB-CE2 4.01Å; E87-Y91 WeakPolarHBondContact O-CD2 3.36Å; E87-Y91 PolarHBondContact O-N 2.91Å
88	T	98.4	Very high	97.5	Very high	10 Å²	10	63.1 Å²	63.1	6%	0.061	31%	0.31	C	S	.	.	H	α-helix	trans	-56	-41.9	171.8	-65.3	0	0	0	0	112.4	R68 G69 W84 D85 K92	R68-T88 HydrophobicContact CB-CG2 4.27Å; G69-T88 PolarHBondContact N-OG1 2.72Å; W84-T88 WeakPolarHBondContact O-CB 3.11Å; W84-T88 PolarHBondContact O-N 3.45Å; W84-T88 PolarHBondContact O-OG1 3.36Å; D85-T88 WeakPolarHBondContact O-CB 3.32Å; D85-T88 PolarHBondContact O-N 2.74Å; T88-K92 HydrophobicContact CG2-CD 3.93Å; T88-K92 WeakPolarHBondContact O-CB 3.37Å; T88-K92 WeakPolarHBondContact O-CG 3.39Å; T88-K92 PolarHBondContact O-N 3.13Å
89	Q	98.3	Very high	97.7	Very high	104 Å²	104	60.7 Å²	60.7	49%	0.486	30%	0.296	S	S	.	.	H	α-helix	trans	-77.1	-19	177.4	-63.4	-62.8	-8.1	0	0	113.6	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.28Å; D85-Q89 WeakPolarHBondContact O-CG 3.45Å; D85-Q89 PolarHBondContact O-N 2.73Å; R86-Q89 PolarHBondContact O-N 3.31Å; E87-Q89 VanDerWaalsContact C-N 3.29Å; E87-Q89 PolarHBondContact O-N 2.82Å; Q89-R93 WeakPolarHBondContact O-CB 3.38Å; Q89-R93 VanDerWaalsContact O-CG 3.3Å; Q89-R93 WeakPolarHBondContact O-CG 3.29Å; Q89-R93 PolarHBondContact O-N 2.81Å; Q89-R93 PolarHBondContact O-NE 2.74Å
90	K	97.2	Very high	97.7	Very high	64 Å²	64	63.2 Å²	63.2	28%	0.278	31%	0.312	S	S	.	.	H	α-helix	trans	-70.4	-53.8	165.2	-76.4	161.4	165.1	178.2	0	110.2	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.37Å; R86-K90 PolarHBondContact O-N 2.94Å; E87-K90 WeakPolarHBondContact O-CB 3.45Å; E87-K90 PolarHBondContact O-N 2.86Å; E87-K90 IonicContact OE1-NZ 3.8Å; E87-K90 PolarHBondContact OE1-NZ 2.94Å; E87-K90 WeakPolarHBondContact OE2-CD 3.46Å; E87-K90 WeakPolarHBondContact OE2-CE 3.33Å; E87-K90 IonicContact OE2-NZ 2.88Å; E87-K90 PolarHBondContact OE2-NZ 2.78Å; K90-K92 PolarHBondContact O-N 3.29Å; K90-R93 PolarHBondContact O-N 3.12Å; K90-R93 VanDerWaalsContact O-N 3.13Å; K90-Q94 PolarHBondContact O-N 2.85Å
91	Y	98.5	Very high	97.8	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-59	-43.5	-179.5	-58.6	-47.9	0	0	0	112.4	Y33 A48 V58 F60 E87 R93 Q94 A95	Y33-Y91 AromaticContact CE1-CD1 3.99Å; Y33-Y91 HydrophobicContact CE1-CD1 3.99Å; Y33-Y91 AromaticContact CE1-CE1 3.77Å; Y33-Y91 HydrophobicContact CE1-CE1 3.77Å; Y33-Y91 AromaticContact CZ-CE1 3.99Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.46Å; A48-Y91 HydrophobicContact CB-CD1 3.7Å; A48-Y91 HydrophobicContact CB-CE1 3.86Å; A48-Y91 HydrophobicContact CB-CG 4.44Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.38Å; V58-Y91 HydrophobicContact CG2-CE2 4.19Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.4Å; F60-Y91 HydrophobicContact CB-CD1 4.39Å; F60-Y91 HydrophobicContact CB-CD2 3.47Å; F60-Y91 VanDerWaalsContact CB-CD2 3.47Å; F60-Y91 HydrophobicContact CB-CE2 3.97Å; F60-Y91 HydrophobicContact CB-CG 3.72Å; F60-Y91 HydrophobicContact CD1-CG 4.44Å; F60-Y91 AromaticContact CD2-CD2 3.68Å; F60-Y91 HydrophobicContact CD2-CD2 3.68Å; F60-Y91 AromaticContact CD2-CG 3.96Å; F60-Y91 HydrophobicContact CD2-CG 3.96Å; F60-Y91 AromaticContact CG-CD2 3.78Å; F60-Y91 HydrophobicContact CG-CD2 3.78Å; F60-Y91 AromaticContact CG-CG 3.8Å; F60-Y91 HydrophobicContact CG-CG 3.8Å; E87-Y91 HydrophobicContact CB-CE2 4.01Å; E87-Y91 WeakPolarHBondContact O-CD2 3.36Å; E87-Y91 PolarHBondContact O-N 2.91Å; Y91-R93 VanDerWaalsContact C-N 3.34Å; Y91-R93 PolarHBondContact O-N 2.91Å; Y91-Q94 PolarHBondContact O-N 2.79Å; Y91-A95 WeakPolarHBondContact O-CB 3.13Å; Y91-A95 PolarHBondContact O-N 2.84Å
92	K	98.4	Very high	97.9	Very high	81 Å²	81	58.5 Å²	58.5	35%	0.352	28%	0.275	S	S	.	.	H	α-helix	trans	-63.5	-34.9	176.4	-75.5	175	179.6	167.8	0	113.6	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.01Å; F60-K92 HydrophobicContact CZ-CG 3.87Å; P67-K92 WeakPolarHBondContact O-CE 3.4Å; P67-K92 PolarHBondContact O-NZ 2.95Å; T88-K92 HydrophobicContact CG2-CD 3.93Å; T88-K92 WeakPolarHBondContact O-CB 3.37Å; T88-K92 WeakPolarHBondContact O-CG 3.39Å; T88-K92 PolarHBondContact O-N 3.13Å; K90-K92 PolarHBondContact O-N 3.29Å; K92-Q96 PolarHBondContact O-N 2.85Å
93	R	98.3	Very high	97.8	Very high	159 Å²	159	56.5 Å²	56.5	60%	0.6	26%	0.26	S	S	*	.	H	α-helix	trans	-70.8	-46.2	173.4	-77.3	-178.3	-66.8	160	0.3	111.4	Q89 K90 Y91 A95 Q96 T97	Q89-R93 WeakPolarHBondContact O-CB 3.38Å; Q89-R93 VanDerWaalsContact O-CG 3.3Å; Q89-R93 WeakPolarHBondContact O-CG 3.29Å; Q89-R93 PolarHBondContact O-N 2.81Å; Q89-R93 PolarHBondContact O-NE 2.74Å; K90-R93 PolarHBondContact O-N 3.12Å; K90-R93 VanDerWaalsContact O-N 3.13Å; Y91-R93 VanDerWaalsContact C-N 3.34Å; Y91-R93 PolarHBondContact O-N 2.91Å; R93-A95 VanDerWaalsContact C-N 3.33Å; R93-A95 PolarHBondContact O-N 2.8Å; R93-Q96 PolarHBondContact O-N 3.44Å; R93-Q96 VanDerWaalsContact O-N 3.1Å; R93-T97 PolarHBondContact O-N 2.89Å; R93-T97 PolarHBondContact O-OG1 2.99Å
94	Q	98.2	Very high	97.8	Very high	25 Å²	25	59.6 Å²	59.6	12%	0.117	28%	0.277	C	S	.	.	H	α-helix	trans	-58.1	-43.9	177.2	-175.1	71.3	52.8	0	0	111.7	Y33 F46 K90 Y91 Q96 T97 D98	Y33-Q94 HydrophobicContact CD2-CG 3.54Å; Y33-Q94 HydrophobicContact CE2-CB 4.36Å; Y33-Q94 HydrophobicContact CE2-CG 3.67Å; Y33-Q94 HydrophobicContact CG-CG 4.47Å; F46-Q94 HydrophobicContact CE2-CB 4.22Å; F46-Q94 HydrophobicContact CE2-CG 3.65Å; F46-Q94 HydrophobicContact CZ-CB 4Å; F46-Q94 HydrophobicContact CZ-CG 3.76Å; K90-Q94 PolarHBondContact O-N 2.85Å; Y91-Q94 PolarHBondContact O-N 2.79Å; Q94-Q96 VanDerWaalsContact C-N 3.27Å; Q94-Q96 PolarHBondContact O-N 2.92Å; Q94-T97 CarbonylContact O-C 3.53Å; Q94-T97 WeakPolarHBondContact O-CA 3.37Å; Q94-T97 WeakPolarHBondContact O-CB 3.29Å; Q94-T97 PolarHBondContact O-N 2.77Å; Q94-D98 WeakPolarHBondContact CG-OD2 3.33Å; Q94-D98 VanDerWaalsContact NE2-CG 3.28Å; Q94-D98 PolarHBondContact NE2-OD1 3.37Å; Q94-D98 PolarHBondContact NE2-OD2 3.27Å; Q94-D98 PolarHBondContact O-N 2.88Å
95	A	98.3	Very high	97.8	Very high	17 Å²	17	58 Å²	58	14%	0.14	27%	0.272	C	S	.	.	H	α-helix	trans	-57.5	-36.3	175.9	0	0	0	0	0	113.2	F46 Y91 R93 R99	F46-A95 HydrophobicContact CB-CB 3.77Å; F46-A95 HydrophobicContact CD1-CB 3.86Å; F46-A95 HydrophobicContact CD2-CB 4.02Å; F46-A95 HydrophobicContact CE1-CB 4.46Å; F46-A95 HydrophobicContact CG-CB 3.6Å; Y91-A95 WeakPolarHBondContact O-CB 3.13Å; Y91-A95 PolarHBondContact O-N 2.84Å; R93-A95 VanDerWaalsContact C-N 3.33Å; R93-A95 PolarHBondContact O-N 2.8Å; A95-R99 VanDerWaalsContact O-CB 3.28Å; A95-R99 WeakPolarHBondContact O-CB 3.32Å; A95-R99 PolarHBondContact O-N 2.89Å; A95-R99 VanDerWaalsContact O-N 3.09Å
96	Q	98.1	Very high	97.8	Very high	100 Å²	100	56 Å²	56	47%	0.467	26%	0.256	S	S	.	.	H	α-helix	trans	-75.6	-35.2	173.8	-63.8	-56.6	-44.3	0	0	112.6	K92 R93 Q94 V100	K92-Q96 PolarHBondContact O-N 2.85Å; R93-Q96 PolarHBondContact O-N 3.44Å; R93-Q96 VanDerWaalsContact O-N 3.1Å; Q94-Q96 VanDerWaalsContact C-N 3.27Å; Q94-Q96 PolarHBondContact O-N 2.92Å; Q96-V100 WeakPolarHBondContact O-CG2 3.46Å; Q96-V100 PolarHBondContact O-N 3.47Å
97	T	97.9	Very high	97.7	Very high	72 Å²	72	53.5 Å²	53.5	44%	0.442	26%	0.261	S	S	.	.	H	α-helix	trans	-58.6	-51.1	170.3	-60.4	0	0	0	0	110.5	R93 Q94 R99 V100 S101	R93-T97 PolarHBondContact O-N 2.89Å; R93-T97 PolarHBondContact O-OG1 2.99Å; Q94-T97 CarbonylContact O-C 3.53Å; Q94-T97 WeakPolarHBondContact O-CA 3.37Å; Q94-T97 WeakPolarHBondContact O-CB 3.29Å; Q94-T97 PolarHBondContact O-N 2.77Å; T97-R99 VanDerWaalsContact C-N 3.34Å; T97-R99 PolarHBondContact O-N 2.7Å; T97-V100 CarbonylContact O-C 3.58Å; T97-V100 WeakPolarHBondContact O-CA 3.41Å; T97-V100 WeakPolarHBondContact O-CB 3.36Å; T97-V100 PolarHBondContact O-N 2.78Å; T97-S101 PolarHBondContact O-N 3.27Å; T97-S101 PolarHBondContact O-OG 3.39Å
98	D	98	Very high	97.8	Very high	4 Å²	4	56 Å²	56	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-69.9	-31.4	-176	-64	-24.7	0	0	0	112.2	A35 F46 Q94 V100 S101 L102 I119	A35-D98 HydrophobicContact CB-CB 3.71Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.32Å; Q94-D98 WeakPolarHBondContact CG-OD2 3.33Å; Q94-D98 VanDerWaalsContact NE2-CG 3.28Å; Q94-D98 PolarHBondContact NE2-OD1 3.37Å; Q94-D98 PolarHBondContact NE2-OD2 3.27Å; Q94-D98 PolarHBondContact O-N 2.88Å; D98-V100 VanDerWaalsContact C-N 3.25Å; D98-V100 PolarHBondContact O-N 3.44Å; D98-S101 PolarHBondContact O-N 3.16Å; D98-L102 WeakPolarHBondContact O-CB 3.37Å; D98-L102 VanDerWaalsContact O-CG 3.26Å; D98-L102 WeakPolarHBondContact O-CG 3.34Å; D98-L102 PolarHBondContact O-N 2.82Å; D98-I119 HydrophobicContact CB-CG2 3.99Å
99	R	97.7	Very high	97.7	Very high	71 Å²	71	58.7 Å²	58.7	27%	0.268	28%	0.28	S	S	.	.	H	α-helix	trans	-60.7	-30.3	166.4	179.2	-167.8	179.4	-152	3.2	113.3	E43 P44 A95 T97 R103	E43-R99 VanDerWaalsContact CD-CZ 3.45Å; E43-R99 VanDerWaalsContact CD-NE 3.34Å; E43-R99 IonicContact OE1-CZ 2.74Å; E43-R99 VanDerWaalsContact OE1-CZ 3.32Å; E43-R99 IonicContact OE1-NE 3.28Å; E43-R99 IonicContact OE1-NH2 2.74Å; E43-R99 PolarHBondContact OE1-NH2 2.32Å; E43-R99 IonicContact OE2-CZ 2.68Å; E43-R99 IonicContact OE2-NE 3.44Å; E43-R99 PolarHBondContact OE2-NE 2.77Å; E43-R99 IonicContact OE2-NH2 3.19Å; E43-R99 PolarHBondContact OE2-NH2 2.62Å; E43-R99 VanDerWaalsContact OE2-NH2 3.14Å; P44-R99 HydrophobicContact CG-CB 4.31Å; P44-R99 HydrophobicContact CG-CG 4.19Å; A95-R99 VanDerWaalsContact O-CB 3.28Å; A95-R99 WeakPolarHBondContact O-CB 3.32Å; A95-R99 PolarHBondContact O-N 2.89Å; A95-R99 VanDerWaalsContact O-N 3.09Å; T97-R99 VanDerWaalsContact C-N 3.34Å; T97-R99 PolarHBondContact O-N 2.7Å; R99-R103 PolarHBondContact O-NE 3.38Å
100	V	97.6	Very high	97.7	Very high	66 Å²	66	60.9 Å²	60.9	40%	0.4	30%	0.295	S	S	.	.	H	α-helix	trans	-79.7	-44.8	171.8	173	0	0	0	0	110.1	Q96 T97 D98 L102 R103 N104	Q96-V100 WeakPolarHBondContact O-CG2 3.46Å; Q96-V100 PolarHBondContact O-N 3.47Å; T97-V100 CarbonylContact O-C 3.58Å; T97-V100 WeakPolarHBondContact O-CA 3.41Å; T97-V100 WeakPolarHBondContact O-CB 3.36Å; T97-V100 PolarHBondContact O-N 2.78Å; D98-V100 VanDerWaalsContact C-N 3.25Å; D98-V100 PolarHBondContact O-N 3.44Å; V100-L102 PolarHBondContact O-N 3.24Å; V100-R103 PolarHBondContact O-N 3.47Å; V100-R103 VanDerWaalsContact O-N 3.14Å; V100-N104 PolarHBondContact O-N 2.84Å
101	S	97.9	Very high	97.6	Very high	29 Å²	29	60.7 Å²	60.7	20%	0.203	30%	0.295	C	S	.	.	H	α-helix	trans	-55.8	-49.7	176.9	-56.5	0	0	0	0	112.2	T97 D98 R103 N104 L105	T97-S101 PolarHBondContact O-N 3.27Å; T97-S101 PolarHBondContact O-OG 3.39Å; D98-S101 PolarHBondContact O-N 3.16Å; S101-R103 PolarHBondContact O-N 3.14Å; S101-N104 PolarHBondContact O-N 3.36Å; S101-L105 WeakPolarHBondContact O-CB 3.35Å; S101-L105 VanDerWaalsContact O-CG 3.24Å; S101-L105 WeakPolarHBondContact O-CG 3.28Å; S101-L105 PolarHBondContact O-N 2.88Å
102	L	98.1	Very high	97.5	Very high	8 Å²	8	64.5 Å²	64.5	4%	0.042	32%	0.322	C	S	.	.	H	α-helix	trans	-55.1	-36.2	177	-75.9	165.4	0	0	0	112.9	A35 P44 D98 V100 R106 H117 I119 Y142	A35-L102 HydrophobicContact CB-CD1 4.04Å; P44-L102 HydrophobicContact CB-CD1 3.67Å; P44-L102 HydrophobicContact CG-CD1 3.77Å; D98-L102 WeakPolarHBondContact O-CB 3.37Å; D98-L102 VanDerWaalsContact O-CG 3.26Å; D98-L102 WeakPolarHBondContact O-CG 3.34Å; D98-L102 PolarHBondContact O-N 2.82Å; V100-L102 PolarHBondContact O-N 3.24Å; L102-R106 VanDerWaalsContact O-CB 3.27Å; L102-R106 WeakPolarHBondContact O-CB 3.24Å; L102-R106 PolarHBondContact O-N 2.9Å; L102-H117 HydrophobicContact CD2-CB 4.23Å; L102-I119 HydrophobicContact CD1-CG2 4.26Å; L102-I119 HydrophobicContact CD2-CB 4.1Å; L102-I119 HydrophobicContact CD2-CG2 3.84Å; L102-I119 HydrophobicContact CG-CB 4.47Å; L102-I119 HydrophobicContact CG-CG2 3.78Å; L102-Y142 HydrophobicContact CD2-CE2 4.12Å
103	R	96.1	Very high	97.2	Very high	126 Å²	126	67.3 Å²	67.3	48%	0.475	34%	0.336	S	S	.	.	H	α-helix	trans	-75.3	-38	176.3	-73.7	179.7	-73.7	161.5	-3.1	112.3	R99 V100 S101 G107	R99-R103 PolarHBondContact O-NE 3.38Å; V100-R103 PolarHBondContact O-N 3.47Å; V100-R103 VanDerWaalsContact O-N 3.14Å; S101-R103 PolarHBondContact O-N 3.14Å; R103-G107 PolarHBondContact O-N 2.86Å
104	N	97.1	Very high	96.9	Very high	73 Å²	73	63.8 Å²	63.8	39%	0.39	34%	0.341	S	S	.	.	H	α-helix	trans	-68	-47.1	177	-68.2	-21.3	0	0	0	111.8	V100 S101 G107 Y108	V100-N104 PolarHBondContact O-N 2.84Å; S101-N104 PolarHBondContact O-N 3.36Å; N104-G107 CarbonylContact O-C 3.54Å; N104-G107 WeakPolarHBondContact O-CA 3.15Å; N104-G107 PolarHBondContact O-N 3.39Å; N104-G107 VanDerWaalsContact O-N 3.08Å; N104-Y108 WeakPolarHBondContact O-CD1 3.48Å; N104-Y108 PolarHBondContact O-N 2.74Å
105	L	97.9	Very high	96.7	Very high	6 Å²	6	63.4 Å²	63.4	3%	0.031	34%	0.344	C	S	.	.	H	α-helix	trans	-61.6	-49.7	-179.1	-67.7	168	0	0	0	111	S101 G107 Y108 Y109 I119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.35Å; S101-L105 VanDerWaalsContact O-CG 3.24Å; S101-L105 WeakPolarHBondContact O-CG 3.28Å; S101-L105 PolarHBondContact O-N 2.88Å; L105-G107 PolarHBondContact O-N 2.78Å; L105-G107 VanDerWaalsContact O-N 3.13Å; L105-Y108 HydrophobicContact CD2-CD2 4.35Å; L105-Y108 PolarHBondContact O-N 2.88Å; L105-Y109 HydrophobicContact CB-CD2 4.49Å; L105-Y109 HydrophobicContact CD2-CE2 4.33Å; L105-Y109 VanDerWaalsContact O-CD2 3.26Å; L105-Y109 WeakPolarHBondContact O-CD2 3.28Å; L105-Y109 PolarHBondContact O-N 2.67Å; L105-I119 HydrophobicContact CD1-CD1 3.85Å; L105-I119 HydrophobicContact CD1-CG1 4.34Å; L105-Y142 HydrophobicContact CB-CD1 4.29Å; L105-Y142 HydrophobicContact CB-CD2 4.23Å; L105-Y142 HydrophobicContact CB-CE1 3.88Å; L105-Y142 HydrophobicContact CB-CE2 3.85Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.57Å; L105-Y142 HydrophobicContact CD1-CE2 3.88Å; L105-Y142 HydrophobicContact CD1-CG 3.99Å; L105-Y142 HydrophobicContact CG-CD2 4.46Å; L105-Y142 HydrophobicContact CG-CE2 4.5Å; L105-Y147 HydrophobicContact CD2-CD1 4.31Å; L105-Y147 HydrophobicContact CD2-CD2 4.18Å; L105-Y147 HydrophobicContact CD2-CE1 3.68Å; L105-Y147 HydrophobicContact CD2-CE2 3.52Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.41Å
106	R	96.6	Very high	96.7	Very high	60 Å²	60	66.3 Å²	66.3	23%	0.226	36%	0.364	C	S	.	.	H	α-helix	trans	-51.8	-36.8	172.5	-170.8	-167.9	67.1	168.3	10.1	112.3	L102 N110 Q111 E113 Y142	L102-R106 VanDerWaalsContact O-CB 3.27Å; L102-R106 WeakPolarHBondContact O-CB 3.24Å; L102-R106 PolarHBondContact O-N 2.9Å; R106-N110 PolarHBondContact O-N 2.77Å; R106-Q111 HydrophobicContact CG-CB 3.76Å; R106-Q111 PolarHBondContact O-N 2.03Å; R106-E113 IonicContact CZ-OE1 2.8Å; R106-E113 IonicContact NH1-OE1 3.89Å; R106-E113 PolarHBondContact NH1-OE1 2.84Å; R106-E113 IonicContact NH2-OE1 2.91Å; R106-E113 PolarHBondContact NH2-OE1 3.18Å; R106-Y142 PolarHBondContact N-OH 3.3Å
107	G	96.6	Very high	96.7	Very high	45 Å²	45	62.2 Å²	62.2	46%	0.464	35%	0.345	S	S	.	.	H	α-helix	trans	-69.2	-47.7	172.7	0	0	0	0	0	113.7	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.86Å; N104-G107 CarbonylContact O-C 3.54Å; N104-G107 WeakPolarHBondContact O-CA 3.15Å; N104-G107 PolarHBondContact O-N 3.39Å; N104-G107 VanDerWaalsContact O-N 3.08Å; L105-G107 PolarHBondContact O-N 2.78Å; L105-G107 VanDerWaalsContact O-N 3.13Å; G107-Y109 VanDerWaalsContact C-N 3.3Å; G107-Y109 PolarHBondContact O-N 3.36Å; G107-N110 PolarHBondContact O-N 3.49Å; G107-N110 VanDerWaalsContact O-N 3.16Å
108	Y	97.8	Very high	96.7	Very high	55 Å²	55	61.7 Å²	61.7	22%	0.216	34%	0.338	C	S	.	.	H	α-helix	trans	-62.6	-36.2	179.2	-58.8	-16.3	0	0	0	112.6	N104 L105 N110 A163 I166 K170	N104-Y108 WeakPolarHBondContact O-CD1 3.48Å; N104-Y108 PolarHBondContact O-N 2.74Å; L105-Y108 HydrophobicContact CD2-CD2 4.35Å; L105-Y108 PolarHBondContact O-N 2.88Å; Y108-N110 PolarHBondContact O-ND2 2.9Å; Y108-A163 HydrophobicContact CD2-CB 4.46Å; Y108-I166 HydrophobicContact CD1-CD1 4.16Å; Y108-I166 HydrophobicContact CD2-CD1 4.39Å; Y108-I166 HydrophobicContact CE1-CG2 4.06Å; Y108-I166 HydrophobicContact CE2-CB 4.2Å; Y108-I166 HydrophobicContact CE2-CG2 4.05Å; Y108-I166 HydrophobicContact CG-CD1 4.1Å; Y108-K170 PolarHBondContact OH-NZ 2.94Å
109	Y	97.8	Very high	96.7	Very high	68 Å²	68	61.8 Å²	61.8	27%	0.267	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	2	177.3	-68.2	-69.8	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CB-CD2 4.49Å; L105-Y109 HydrophobicContact CD2-CE2 4.33Å; L105-Y109 VanDerWaalsContact O-CD2 3.26Å; L105-Y109 WeakPolarHBondContact O-CD2 3.28Å; L105-Y109 PolarHBondContact O-N 2.67Å; G107-Y109 VanDerWaalsContact C-N 3.3Å; G107-Y109 PolarHBondContact O-N 3.36Å; Y109-Q111 PolarHBondContact O-N 2.97Å; Y109-Y142 AromaticContact CD2-CD1 3.68Å; Y109-Y142 HydrophobicContact CD2-CD1 3.68Å; Y109-Y142 AromaticContact CD2-CE1 3.45Å; Y109-Y142 HydrophobicContact CD2-CE1 3.45Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.45Å; Y109-Y142 AromaticContact CE2-CD1 3.43Å; Y109-Y142 HydrophobicContact CE2-CD1 3.43Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.43Å; Y109-Y142 AromaticContact CE2-CE1 3.75Å; Y109-Y142 HydrophobicContact CE2-CE1 3.75Å; Y109-Y142 HydrophobicContact CE2-CG 4.47Å; Y109-Y142 HydrophobicContact CG-CE1 4.4Å; Y109-Y147 HydrophobicContact CE2-CD2 4.44Å; Y109-Y147 HydrophobicContact CE2-CE2 4.19Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.3Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.49Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.47Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.43Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.29Å; Y109-D161 PolarHBondContact OH-OD1 2.8Å; Y109-D161 PolarHBondContact OH-OD2 3.32Å; Y109-A163 HydrophobicContact CD1-CB 4.23Å; Y109-A163 HydrophobicContact CE1-CB 3.69Å; Y109-A163 HydrophobicContact CE2-CB 4.03Å
110	N	96.8	Very high	96.8	Very high	149 Å²	149	62.2 Å²	62.2	80%	0.797	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	34	-178.3	-55.1	-85.1	0	0	0	113.9	R106 G107 Y108	R106-N110 PolarHBondContact O-N 2.77Å; G107-N110 PolarHBondContact O-N 3.49Å; G107-N110 VanDerWaalsContact O-N 3.16Å; Y108-N110 PolarHBondContact O-ND2 2.9Å
111	Q	97	Very high	96.8	Very high	60 Å²	60	60.5 Å²	60.5	28%	0.28	33%	0.33	S	S	.	.			trans	-81.2	155.1	-178.2	-70.2	163.2	-45	0	0	111.9	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.76Å; R106-Q111 PolarHBondContact O-N 2.03Å; Y109-Q111 PolarHBondContact O-N 2.97Å; Q111-H117 PolarHBondContact NE2-CE1 2.96Å; Q111-H117 PolarHBondContact NE2-ND1 2.89Å; Q111-Y142 PolarHBondContact OE1-OH 2.73Å; Q111-D143 PolarHBondContact NE2-OD2 3.37Å
112	S	94.9	Very high	96.9	Very high	80 Å²	80	60.2 Å²	60.2	56%	0.559	33%	0.326	S	S	*	.			trans	-79	155.5	-175.3	74.9	0	0	0	0	113.1	A114 G115	S112-A114 PolarHBondContact O-N 3.43Å; S112-G115 PolarHBondContact O-N 2.86Å
113	E	91.7	Very high	96.9	Very high	140 Å²	140	60.8 Å²	60.8	65%	0.654	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-17.8	179.5	-60.7	-139.4	98.5	0	0	114.5	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.37Å; P39-E113 VanDerWaalsContact CG-O 3.32Å; P39-E113 WeakPolarHBondContact CG-O 3.39Å; R106-E113 IonicContact CZ-OE1 2.8Å; R106-E113 IonicContact NH1-OE1 3.89Å; R106-E113 PolarHBondContact NH1-OE1 2.84Å; R106-E113 IonicContact NH2-OE1 2.91Å; R106-E113 PolarHBondContact NH2-OE1 3.18Å; E113-G115 VanDerWaalsContact C-N 3.33Å
114	A	92.8	Very high	97	Very high	85 Å²	85	54.8 Å²	54.8	70%	0.702	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-9.7	177.6	0	0	0	0	0	113.3	S112	S112-A114 PolarHBondContact O-N 3.43Å
115	G	93.9	Very high	97.1	Very high	18 Å²	18	51.3 Å²	51.3	19%	0.186	29%	0.286	C	S	.	.			trans	-70.8	128	178	0	0	0	0	0	112.8	S37 P39 S112 E113 H117	S37-G115 PolarHBondContact OG-O 3.34Å; P39-G115 WeakPolarHBondContact CG-O 3.48Å; S112-G115 PolarHBondContact O-N 2.86Å; E113-G115 VanDerWaalsContact C-N 3.33Å; G115-H117 PolarHBondContact O-CD2 3.21Å
116	S	97.5	Very high	97.1	Very high	78 Å²	78	52.4 Å²	52.4	55%	0.545	29%	0.292	S	S	.	.			trans	-78.6	128.2	160.1	-178.8	0	0	0	0	107.8	S37	S37-S116 PolarHBondContact O-OG 2.83Å
117	H	98.3	Very high	97.2	Very high	14 Å²	14	49.7 Å²	49.7	7%	0.065	28%	0.282	C	S	.	.			trans	-132.2	150.6	-174.8	-66.6	-72.9	0	0	0	110.6	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 3.32Å; S37-H117 PolarHBondContact OG-N 2.89Å; S37-H117 PolarHBondContact OG-O 2.81Å; L102-H117 HydrophobicContact CD2-CB 4.23Å; Q111-H117 PolarHBondContact NE2-CE1 2.96Å; Q111-H117 PolarHBondContact NE2-ND1 2.89Å; G115-H117 PolarHBondContact O-CD2 3.21Å; H117-Y142 HydrophobicContact CB-CE2 3.92Å; H117-Y142 WeakPolarHBondContact CB-OH 3.4Å; H117-Y142 PolarHBondContact ND1-OH 2.91Å; H117-D143 WeakPolarHBondContact CA-OD1 3.18Å; H117-D143 WeakPolarHBondContact CB-OD1 3.38Å; H117-D143 IonicContact CE1-OD2 2.77Å; H117-D143 IonicContact CG-OD1 2.65Å; H117-D143 IonicContact CG-OD2 3.32Å; H117-D143 IonicContact ND1-OD1 3.14Å; H117-D143 PolarHBondContact ND1-OD1 3.43Å; H117-D143 IonicContact ND1-OD2 3.19Å; H117-D143 PolarHBondContact ND1-OD2 3.42Å
118	I	98.6	Very high	97.1	Very high	60 Å²	60	47.8 Å²	47.8	31%	0.308	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.6	-176.7	-51.2	-176.2	0	0	0	109.4	T34 A35 V36 Q120 Y142 D143	T34-I118 HydrophobicContact CG2-CG2 3.84Å; A35-I118 WeakPolarHBondContact O-CA 3.33Å; V36-I118 HydrophobicContact CG1-CG1 4.27Å; V36-I118 HydrophobicContact CG2-CD1 4.38Å; V36-I118 HydrophobicContact CG2-CG1 4.19Å; V36-I118 HydrophobicContact CG2-CG2 4.28Å; I118-Q120 HydrophobicContact CG2-CG 3.93Å; I118-Y142 CarbonylContact O-C 3.49Å; I118-Y142 WeakPolarHBondContact O-CA 3.39Å; I118-Y142 WeakPolarHBondContact O-CD2 3.33Å; I118-D143 PolarHBondContact N-OD1 2.96Å; I118-D143 PolarHBondContact O-N 3.07Å
119	I	98.6	Very high	96.8	Very high	7 Å²	7	50 Å²	50	4%	0.036	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.6	161.6	-171.8	178.2	0	0	0	108.8	A35 D98 L102 L105 Y140 A141 Y142	A35-I119 HydrophobicContact CB-CG2 3.74Å; A35-I119 PolarHBondContact N-O 3.33Å; A35-I119 PolarHBondContact O-N 2.82Å; D98-I119 HydrophobicContact CB-CG2 3.99Å; L102-I119 HydrophobicContact CD1-CG2 4.26Å; L102-I119 HydrophobicContact CD2-CB 4.1Å; L102-I119 HydrophobicContact CD2-CG2 3.84Å; L102-I119 HydrophobicContact CG-CB 4.47Å; L102-I119 HydrophobicContact CG-CG2 3.78Å; L105-I119 HydrophobicContact CD1-CD1 3.85Å; L105-I119 HydrophobicContact CD1-CG1 4.34Å; I119-Y140 HydrophobicContact CD1-CD1 3.93Å; I119-Y140 HydrophobicContact CD1-CE1 4.33Å; I119-Y140 HydrophobicContact CG1-CD1 4.21Å; I119-A141 WeakPolarHBondContact CA-O 3.43Å; I119-Y142 HydrophobicContact CB-CD2 4.4Å
120	Q	98.8	Very high	96.4	Very high	79 Å²	79	51.2 Å²	51.2	37%	0.369	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	148.4	175.3	-66	172.9	-98.3	0	0	109.6	Y33 T34 I118 Y140 A141	Y33-Q120 CarbonylContact O-C 3.53Å; Y33-Q120 VanDerWaalsContact O-CA 3.27Å; Y33-Q120 WeakPolarHBondContact O-CA 3.33Å; T34-Q120 HydrophobicContact CG2-CG 4.13Å; I118-Q120 HydrophobicContact CG2-CG 3.93Å; Q120-Y140 CarbonylContact O-C 3.58Å; Q120-Y140 VanDerWaalsContact O-CA 3.26Å; Q120-Y140 WeakPolarHBondContact O-CA 3.21Å; Q120-A141 HydrophobicContact CB-CB 4.37Å; Q120-A141 PolarHBondContact N-O 2.81Å; Q120-A141 PolarHBondContact O-N 2.9Å
121	R	98.6	Very high	96.2	Very high	30 Å²	30	44.8 Å²	44.8	11%	0.113	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	133.1	172.7	-174	-169	-173	169.1	7.2	109.5	F32 Y33 Y123 D138 Q139 Y140	F32-R121 WeakPolarHBondContact CA-O 3.35Å; Y33-R121 PolarHBondContact N-O 2.93Å; Y33-R121 PolarHBondContact O-N 3.08Å; R121-Y123 HydrophobicContact CG-CD1 4.25Å; R121-D138 IonicContact CZ-OD1 3.24Å; R121-D138 IonicContact NE-OD1 2.68Å; R121-D138 PolarHBondContact NE-OD1 2.95Å; R121-D138 VanDerWaalsContact NH2-CG 3.27Å; R121-D138 IonicContact NH2-OD1 3.91Å; R121-D138 PolarHBondContact NH2-OD1 3.43Å; R121-D138 IonicContact NH2-OD2 3.78Å; R121-D138 PolarHBondContact NH2-OD2 2.98Å; R121-Q139 CarbonylContact C-O 3.53Å; R121-Q139 WeakPolarHBondContact CA-O 3.49Å; R121-Y140 HydrophobicContact CB-CD1 3.9Å; R121-Y140 HydrophobicContact CB-CE1 3.82Å; R121-Y140 HydrophobicContact CB-CG 4.41Å; R121-Y140 VanDerWaalsContact CD-CZ 3.45Å; R121-Y140 WeakPolarHBondContact CD-OH 3.18Å; R121-Y140 HydrophobicContact CG-CD1 4.08Å; R121-Y140 HydrophobicContact CG-CD2 4.15Å; R121-Y140 HydrophobicContact CG-CE1 3.78Å; R121-Y140 HydrophobicContact CG-CE2 3.83Å; R121-Y140 HydrophobicContact CG-CG 4.28Å; R121-Y140 PolarHBondContact NE-OH 2.94Å; R121-Y140 PolarHBondContact NH1-OH 3.46Å
122	M	98.8	Very high	96.1	Very high	23 Å²	23	50 Å²	50	11%	0.113	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	128.3	162.7	-168.8	-74.6	-65.9	0	0	108.2	R30 Y31 F32 Y137 Q139	R30-M122 HydrophobicContact CB-SD 4.44Å; Y31-M122 WeakPolarHBondContact O-CA 3.16Å; F32-M122 HydrophobicContact CD1-CB 4.05Å; F32-M122 HydrophobicContact CD1-CG 3.56Å; F32-M122 HydrophobicContact CE1-CB 4.23Å; F32-M122 HydrophobicContact CE1-CG 3.33Å; F32-M122 HydrophobicContact CG-CG 4.37Å; F32-M122 HydrophobicContact CZ-CG 3.99Å; M122-Y137 HydrophobicContact CE-CD1 3.78Å; M122-Y137 HydrophobicContact CE-CG 3.91Å; M122-Q139 HydrophobicContact CB-CG 4.04Å; M122-Q139 HydrophobicContact CE-CG 4.07Å; M122-Q139 VanDerWaalsContact CE-OE1 3.25Å; M122-Q139 PolarHBondContact N-O 2.87Å; M122-Q139 PolarHBondContact O-N 3.42Å
123	Y	98.7	Very high	96.2	Very high	21 Å²	21	48.5 Å²	48.5	8%	0.082	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	154.6	172.8	78.4	-85.8	0	0	0	110.9	Y31 Y33 R121 Y137 D138 Y183	Y31-Y123 VanDerWaalsContact CB-CE1 3.41Å; Y31-Y123 HydrophobicContact CD2-CE1 4.45Å; Y31-Y123 AromaticContact CD2-CE2 3.79Å; Y31-Y123 HydrophobicContact CD2-CE2 3.79Å; Y31-Y123 AromaticContact CD2-CZ 3.72Å; Y31-Y123 HydrophobicContact CE2-CE2 4.5Å; Y31-Y123 HydrophobicContact CG-CE1 4.1Å; Y31-Y123 HydrophobicContact CG-CE2 4.26Å; Y31-Y123 AromaticContact CG-CZ 3.73Å; Y31-Y123 PolarHBondContact N-O 3.33Å; Y31-Y123 PolarHBondContact O-N 2.98Å; Y33-Y123 HydrophobicContact CD2-CE1 4.14Å; Y33-Y123 HydrophobicContact CE1-CE1 4.27Å; Y33-Y123 HydrophobicContact CE2-CD1 4.38Å; Y33-Y123 AromaticContact CE2-CE1 3.47Å; Y33-Y123 HydrophobicContact CE2-CE1 3.47Å; Y33-Y123 VanDerWaalsContact CE2-CE1 3.47Å; Y33-Y123 AromaticContact CZ-CE1 3.57Å; Y33-Y123 PolarHBondContact OH-OH 3.4Å; R121-Y123 HydrophobicContact CG-CD1 4.25Å; Y123-Y137 WeakPolarHBondContact CA-O 3.49Å; Y123-Y137 VanDerWaalsContact CB-O 3.3Å; Y123-Y137 WeakPolarHBondContact CB-O 3.39Å; Y123-D138 VanDerWaalsContact CB-OD1 3.26Å; Y123-D138 WeakPolarHBondContact CB-OD1 3.38Å; Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 3.62Å; Y123-Y183 HydrophobicContact CE2-CE1 3.62Å; Y123-Y183 AromaticContact CE2-CZ 3.98Å
124	G	98.6	Very high	96.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.1	-178.2	-173.4	0	0	0	0	0	114.2	M29 Y137 L184	M29-G124 CarbonylContact O-C 3.49Å; M29-G124 WeakPolarHBondContact O-CA 3.3Å; G124-Y137 PolarHBondContact N-O 3.07Å; G124-Y137 PolarHBondContact O-N 3.01Å; G124-L184 WeakPolarHBondContact O-CD2 3.44Å
125	C	98.7	Very high	96.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	145.8	-178.3	52.5	0	0	0	0	110.9	S28 M29 L133 R135 L184 C188	S28-C125 WeakPolarHBondContact CA-O 3.44Å; M29-C125 PolarHBondContact N-O 3.32Å; M29-C125 PolarHBondContact O-N 2.94Å; C125-L133 HydrophobicContact CB-CD1 3.55Å; C125-R135 WeakPolarHBondContact CA-O 3.32Å; C125-L184 HydrophobicContact CB-CD2 4.47Å; C125-C188 HydrophobicContact CB-CB 3.85Å; C125-C188 WeakPolarHBondContact CB-SG 3.49Å; C125-C188 PolarHBondContact N-SG 2.77Å; C125-C188 VanDerWaalsContact N-SG 3.38Å; C125-C188 WeakPolarHBondContact SG-CB 3.35Å; C125-C188 CovalentContact SG-SG 2.03Å; C125-C188 PolarHBondContact SG-SG 3.14Å
126	D	98.3	Very high	96.9	Very high	29 Å²	29	47 Å²	47	16%	0.155	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	140.8	173.6	-59.9	-2.8	0	0	0	109	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.58Å; H27-D126 WeakPolarHBondContact O-CA 3.49Å; S28-D126 VanDerWaalsContact CB-OD1 3.24Å; S28-D126 WeakPolarHBondContact CB-OD1 3.39Å; R30-D126 IonicContact CZ-OD1 3.67Å; R30-D126 VanDerWaalsContact CZ-OD1 3.24Å; R30-D126 IonicContact CZ-OD2 3.61Å; R30-D126 IonicContact NE-OD1 2.68Å; R30-D126 PolarHBondContact NE-OD1 3.46Å; R30-D126 IonicContact NH2-OD1 2.71Å; R30-D126 PolarHBondContact NH2-OD1 3.44Å; R30-D126 IonicContact NH2-OD2 3.78Å; R30-D126 PolarHBondContact NH2-OD2 2.81Å; D126-L134 PolarHBondContact O-N 3.16Å; D126-R135 PolarHBondContact N-O 3.13Å; D126-R135 PolarHBondContact O-N 3.35Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.48Å; D126-Y137 PolarHBondContact OD2-OH 3.37Å
127	V	97.5	Very high	97	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146.9	-179.3	-59.4	0	0	0	0	111.5	S26 H27 R132 V189 L192	S26-V127 WeakPolarHBondContact CA-O 3.37Å; H27-V127 HydrophobicContact CB-CG2 4.07Å; H27-V127 PolarHBondContact N-O 3.17Å; H27-V127 PolarHBondContact O-N 3.23Å; V127-R132 WeakPolarHBondContact CA-O 3.33Å; V127-R132 WeakPolarHBondContact CB-O 3.26Å; V127-V189 HydrophobicContact CG1-CB 4.41Å; V127-V189 HydrophobicContact CG1-CG1 4.09Å; V127-V189 HydrophobicContact CG1-CG2 3.89Å; V127-L192 HydrophobicContact CB-CD2 4.41Å; V127-L192 HydrophobicContact CG1-CD2 4Å; V127-L192 HydrophobicContact CG2-CD2 3.64Å; V127-L192 HydrophobicContact CG2-CG 4.23Å
128	G	94.6	Very high	97	Very high	5 Å²	5	44.8 Å²	44.8	5%	0.052	22%	0.22	C	C	.	.			trans	-84.6	-176.9	175	0	0	0	0	0	112.8	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.45Å; G128-D130 VanDerWaalsContact O-N 3.15Å; G128-G131 VanDerWaalsContact O-CA 3.29Å; G128-G131 WeakPolarHBondContact O-CA 3.48Å; G128-G131 PolarHBondContact O-N 3.32Å; G128-R132 PolarHBondContact N-O 2.85Å; G128-R132 VanDerWaalsContact N-O 3.12Å
129	P	91.6	Very high	97	Very high	103 Å²	103	45.3 Å²	45.3	67%	0.669	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.3	178.3	-26.4	34.6	0	0	0	115.3	G25 G131	G25-P129 WeakPolarHBondContact O-CA 3.42Å; P129-G131 PolarHBondContact O-N 2.89Å
130	D	90.9	Very high	97	Very high	93 Å²	93	45.9 Å²	45.9	50%	0.497	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	2.7	171.5	80.7	-12.9	0	0	0	113.4	G128 R132	G128-D130 PolarHBondContact O-N 3.45Å; G128-D130 VanDerWaalsContact O-N 3.15Å; D130-R132 PolarHBondContact O-N 3.13Å; D130-R132 VanDerWaalsContact OD1-CB 3.26Å; D130-R132 WeakPolarHBondContact OD1-CB 3.44Å; D130-R132 WeakPolarHBondContact OD1-CG 3.36Å; D130-R132 PolarHBondContact OD1-N 3.33Å; D130-R132 WeakPolarHBondContact OD2-CD 3.48Å; D130-R132 WeakPolarHBondContact OD2-CG 3.35Å; D130-R132 IonicContact OD2-CZ 3.09Å; D130-R132 IonicContact OD2-NE 3.34Å; D130-R132 PolarHBondContact OD2-NE 3.18Å; D130-R132 IonicContact OD2-NH1 2.67Å; D130-R132 PolarHBondContact OD2-NH1 3.01Å; D130-R132 IonicContact OD2-NH2 3.95Å
131	G	91.3	Very high	97	Very high	13 Å²	13	43 Å²	43	13%	0.134	21%	0.212	C	C	.	.			trans	70.2	7.1	-179.2	0	0	0	0	0	114.9	G128 P129 V189 R193	G128-G131 VanDerWaalsContact O-CA 3.29Å; G128-G131 WeakPolarHBondContact O-CA 3.48Å; G128-G131 PolarHBondContact O-N 3.32Å; P129-G131 PolarHBondContact O-N 2.89Å; G131-V189 WeakPolarHBondContact O-CG1 3.4Å; G131-R193 VanDerWaalsContact C-NH2 3.35Å; G131-R193 PolarHBondContact O-NE 2.98Å; G131-R193 PolarHBondContact O-NH2 2.99Å
132	R	95.4	Very high	97	Very high	170 Å²	170	42.1 Å²	42.1	64%	0.642	21%	0.209	S	C	*	.			trans	-79.8	152.8	176.1	-64	-176.6	-174.4	126.4	5.2	111.4	V127 G128 D130 L134	V127-R132 WeakPolarHBondContact CA-O 3.33Å; V127-R132 WeakPolarHBondContact CB-O 3.26Å; G128-R132 PolarHBondContact N-O 2.85Å; G128-R132 VanDerWaalsContact N-O 3.12Å; D130-R132 PolarHBondContact O-N 3.13Å; D130-R132 VanDerWaalsContact OD1-CB 3.26Å; D130-R132 WeakPolarHBondContact OD1-CB 3.44Å; D130-R132 WeakPolarHBondContact OD1-CG 3.36Å; D130-R132 PolarHBondContact OD1-N 3.33Å; D130-R132 WeakPolarHBondContact OD2-CD 3.48Å; D130-R132 WeakPolarHBondContact OD2-CG 3.35Å; D130-R132 IonicContact OD2-CZ 3.09Å; D130-R132 IonicContact OD2-NE 3.34Å; D130-R132 PolarHBondContact OD2-NE 3.18Å; D130-R132 IonicContact OD2-NH1 2.67Å; D130-R132 PolarHBondContact OD2-NH1 3.01Å; D130-R132 IonicContact OD2-NH2 3.95Å; R132-L134 PolarHBondContact O-N 3.26Å
133	L	97.4	Very high	97	Very high	48 Å²	48	43.9 Å²	43.9	25%	0.251	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	122.9	173.5	-171.8	74.2	0	0	0	110.5	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.55Å; L133-R135 VanDerWaalsContact CD1-O 3.29Å; L133-R135 WeakPolarHBondContact CD1-O 3.38Å; L133-L154 HydrophobicContact CD2-CD1 4.04Å; L133-E185 HydrophobicContact CD2-CG 3.8Å; L133-V189 HydrophobicContact CB-CG2 4Å; L133-V189 HydrophobicContact CD1-CG2 3.91Å
134	L	97.3	Very high	96.9	Very high	114 Å²	114	45.7 Å²	45.7	60%	0.597	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90	-44.9	164.8	-62.9	177	0	0	0	110.3	D126 R132	D126-L134 PolarHBondContact O-N 3.16Å; R132-L134 PolarHBondContact O-N 3.26Å
135	R	97.5	Very high	96.9	Very high	92 Å²	92	53.4 Å²	53.4	35%	0.347	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	141.7	-174.9	-171.5	165.1	172.7	133.1	8.5	111.8	C125 D126 L133 Y137 E152	C125-R135 WeakPolarHBondContact CA-O 3.32Å; D126-R135 PolarHBondContact N-O 3.13Å; D126-R135 PolarHBondContact O-N 3.35Å; L133-R135 VanDerWaalsContact CD1-O 3.29Å; L133-R135 WeakPolarHBondContact CD1-O 3.38Å; R135-Y137 HydrophobicContact CB-CE2 4.08Å; R135-Y137 VanDerWaalsContact CD-CZ 3.49Å; R135-Y137 VanDerWaalsContact CD-OH 3.28Å; R135-Y137 WeakPolarHBondContact CD-OH 3.46Å; R135-Y137 HydrophobicContact CG-CD2 4.27Å; R135-Y137 HydrophobicContact CG-CE1 4.44Å; R135-Y137 HydrophobicContact CG-CE2 3.67Å; R135-Y137 PolarHBondContact NE-OH 2.98Å; R135-E152 IonicContact CZ-OE1 2.78Å; R135-E152 IonicContact NH1-OE1 2.67Å; R135-E152 PolarHBondContact NH1-OE1 2.95Å; R135-E152 IonicContact NH1-OE2 3.57Å; R135-E152 PolarHBondContact NH1-OE2 2.71Å; R135-E152 VanDerWaalsContact NH2-CD 3.31Å; R135-E152 IonicContact NH2-OE1 2.75Å; R135-E152 PolarHBondContact NH2-OE1 2.98Å
136	G	98.3	Very high	96.9	Very high	5 Å²	5	59.1 Å²	59.1	5%	0.052	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	153.8	168.7	0	0	0	0	0	111.2
137	Y	98.4	Very high	96.9	Very high	43 Å²	43	58.2 Å²	58.2	17%	0.169	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	138	-178.9	-61.1	-99.4	0	0	0	110.5	R30 M122 Y123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CE2 3.31Å; R30-Y137 PolarHBondContact NH2-OH 3.47Å; M122-Y137 HydrophobicContact CE-CD1 3.78Å; M122-Y137 HydrophobicContact CE-CG 3.91Å; Y123-Y137 WeakPolarHBondContact CA-O 3.49Å; Y123-Y137 VanDerWaalsContact CB-O 3.3Å; Y123-Y137 WeakPolarHBondContact CB-O 3.39Å; G124-Y137 PolarHBondContact N-O 3.07Å; G124-Y137 PolarHBondContact O-N 3.01Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.48Å; D126-Y137 PolarHBondContact OD2-OH 3.37Å; R135-Y137 HydrophobicContact CB-CE2 4.08Å; R135-Y137 VanDerWaalsContact CD-CZ 3.49Å; R135-Y137 VanDerWaalsContact CD-OH 3.28Å; R135-Y137 WeakPolarHBondContact CD-OH 3.46Å; R135-Y137 HydrophobicContact CG-CD2 4.27Å; R135-Y137 HydrophobicContact CG-CE1 4.44Å; R135-Y137 HydrophobicContact CG-CE2 3.67Å; R135-Y137 PolarHBondContact NE-OH 2.98Å
138	D	98.6	Very high	97	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.016	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	109.9	157.8	-172	47.1	0	0	0	108.3	R121 Y123 L150 L180	R121-D138 IonicContact CZ-OD1 3.24Å; R121-D138 IonicContact NE-OD1 2.68Å; R121-D138 PolarHBondContact NE-OD1 2.95Å; R121-D138 VanDerWaalsContact NH2-CG 3.27Å; R121-D138 IonicContact NH2-OD1 3.91Å; R121-D138 PolarHBondContact NH2-OD1 3.43Å; R121-D138 IonicContact NH2-OD2 3.78Å; R121-D138 PolarHBondContact NH2-OD2 2.98Å; Y123-D138 VanDerWaalsContact CB-OD1 3.26Å; Y123-D138 WeakPolarHBondContact CB-OD1 3.38Å; D138-L150 HydrophobicContact CB-CB 4.02Å; D138-L150 HydrophobicContact CB-CD2 4.17Å; D138-L150 WeakPolarHBondContact O-CB 3.12Å; D138-L150 PolarHBondContact O-N 2.03Å; D138-L180 HydrophobicContact CB-CD1 4.32Å; D138-L180 VanDerWaalsContact OD2-CD1 3.25Å; D138-L180 WeakPolarHBondContact OD2-CD1 3.48Å
139	Q	98.7	Very high	97.2	Very high	71 Å²	71	59.6 Å²	59.6	33%	0.332	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	141.5	-177	64.6	-172.1	86.5	0	0	111.5	R121 M122 A149	R121-Q139 CarbonylContact C-O 3.53Å; R121-Q139 WeakPolarHBondContact CA-O 3.49Å; M122-Q139 HydrophobicContact CB-CG 4.04Å; M122-Q139 HydrophobicContact CE-CG 4.07Å; M122-Q139 VanDerWaalsContact CE-OE1 3.25Å; M122-Q139 PolarHBondContact N-O 2.87Å; M122-Q139 PolarHBondContact O-N 3.42Å; Q139-A149 HydrophobicContact CB-CB 3.84Å
140	Y	98.8	Very high	97.5	Very high	20 Å²	20	55.3 Å²	55.3	8%	0.078	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	143	-179.6	-73.5	-103	0	0	0	110.9	I119 Q120 R121 Y147 I148 W171	I119-Y140 HydrophobicContact CD1-CD1 3.93Å; I119-Y140 HydrophobicContact CD1-CE1 4.33Å; I119-Y140 HydrophobicContact CG1-CD1 4.21Å; Q120-Y140 CarbonylContact O-C 3.58Å; Q120-Y140 VanDerWaalsContact O-CA 3.26Å; Q120-Y140 WeakPolarHBondContact O-CA 3.21Å; R121-Y140 HydrophobicContact CB-CD1 3.9Å; R121-Y140 HydrophobicContact CB-CE1 3.82Å; R121-Y140 HydrophobicContact CB-CG 4.41Å; R121-Y140 VanDerWaalsContact CD-CZ 3.45Å; R121-Y140 WeakPolarHBondContact CD-OH 3.18Å; R121-Y140 HydrophobicContact CG-CD1 4.08Å; R121-Y140 HydrophobicContact CG-CD2 4.15Å; R121-Y140 HydrophobicContact CG-CE1 3.78Å; R121-Y140 HydrophobicContact CG-CE2 3.83Å; R121-Y140 HydrophobicContact CG-CG 4.28Å; R121-Y140 PolarHBondContact NE-OH 2.94Å; R121-Y140 PolarHBondContact NH1-OH 3.46Å; Y140-Y147 WeakPolarHBondContact O-CB 3.18Å; Y140-Y147 PolarHBondContact O-N 2.85Å; Y140-I148 HydrophobicContact CD2-CG2 4.4Å; Y140-I148 PolarHBondContact N-O 3.14Å; Y140-I148 PolarHBondContact O-N 2.85Å; Y140-W171 AromaticContact CD2-CH2 3.83Å; Y140-W171 HydrophobicContact CD2-CH2 3.83Å; Y140-W171 HydrophobicContact CD2-CZ3 4.31Å; Y140-W171 AromaticContact CE2-CH2 3.55Å; Y140-W171 HydrophobicContact CE2-CH2 3.55Å; Y140-W171 HydrophobicContact CE2-CZ3 4.21Å
141	A	98.8	Very high	97.9	Very high	18 Å²	18	53 Å²	53	15%	0.149	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	150.3	171.6	0	0	0	0	0	110.7	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 3.43Å; Q120-A141 HydrophobicContact CB-CB 4.37Å; Q120-A141 PolarHBondContact N-O 2.81Å; Q120-A141 PolarHBondContact O-N 2.9Å; A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.21Å; A141-K145 WeakPolarHBondContact CB-O 3.31Å
142	Y	98.8	Very high	98.2	Very high	11 Å²	11	58.9 Å²	58.9	4%	0.043	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132	176.8	-173.2	-121.9	0	0	0	110.5	L102 L105 R106 Y109 Q111 H117 I118 I119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.12Å; L105-Y142 HydrophobicContact CB-CD1 4.29Å; L105-Y142 HydrophobicContact CB-CD2 4.23Å; L105-Y142 HydrophobicContact CB-CE1 3.88Å; L105-Y142 HydrophobicContact CB-CE2 3.85Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.57Å; L105-Y142 HydrophobicContact CD1-CE2 3.88Å; L105-Y142 HydrophobicContact CD1-CG 3.99Å; L105-Y142 HydrophobicContact CG-CD2 4.46Å; L105-Y142 HydrophobicContact CG-CE2 4.5Å; R106-Y142 PolarHBondContact N-OH 3.3Å; Y109-Y142 AromaticContact CD2-CD1 3.68Å; Y109-Y142 HydrophobicContact CD2-CD1 3.68Å; Y109-Y142 AromaticContact CD2-CE1 3.45Å; Y109-Y142 HydrophobicContact CD2-CE1 3.45Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.45Å; Y109-Y142 AromaticContact CE2-CD1 3.43Å; Y109-Y142 HydrophobicContact CE2-CD1 3.43Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.43Å; Y109-Y142 AromaticContact CE2-CE1 3.75Å; Y109-Y142 HydrophobicContact CE2-CE1 3.75Å; Y109-Y142 HydrophobicContact CE2-CG 4.47Å; Y109-Y142 HydrophobicContact CG-CE1 4.4Å; Q111-Y142 PolarHBondContact OE1-OH 2.73Å; H117-Y142 HydrophobicContact CB-CE2 3.92Å; H117-Y142 WeakPolarHBondContact CB-OH 3.4Å; H117-Y142 PolarHBondContact ND1-OH 2.91Å; I118-Y142 CarbonylContact O-C 3.49Å; I118-Y142 WeakPolarHBondContact O-CA 3.39Å; I118-Y142 WeakPolarHBondContact O-CD2 3.33Å; I119-Y142 HydrophobicContact CB-CD2 4.4Å; Y142-G144 PolarHBondContact O-N 2.64Å; Y142-G144 VanDerWaalsContact O-N 3.1Å; Y142-K145 PolarHBondContact N-O 2.85Å; Y142-K145 PolarHBondContact O-N 2.8Å
143	D	98.3	Very high	98.3	Very high	61 Å²	61	54.3 Å²	54.3	33%	0.326	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	46	39.7	-174.9	-64.9	-20.1	0	0	0	113.4	Q111 H117 I118	Q111-D143 PolarHBondContact NE2-OD2 3.37Å; H117-D143 WeakPolarHBondContact CA-OD1 3.18Å; H117-D143 WeakPolarHBondContact CB-OD1 3.38Å; H117-D143 IonicContact CE1-OD2 2.77Å; H117-D143 IonicContact CG-OD1 2.65Å; H117-D143 IonicContact CG-OD2 3.32Å; H117-D143 IonicContact ND1-OD1 3.14Å; H117-D143 PolarHBondContact ND1-OD1 3.43Å; H117-D143 IonicContact ND1-OD2 3.19Å; H117-D143 PolarHBondContact ND1-OD2 3.42Å; I118-D143 PolarHBondContact N-OD1 2.96Å; I118-D143 PolarHBondContact O-N 3.07Å
144	G	97.4	Very high	98.3	Very high	58 Å²	58	52.4 Å²	52.4	60%	0.598	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	12.5	178.4	0	0	0	0	0	115.8	Y142	Y142-G144 PolarHBondContact O-N 2.64Å; Y142-G144 VanDerWaalsContact O-N 3.1Å
145	K	98.5	Very high	98.3	Very high	162 Å²	162	54.6 Å²	54.6	70%	0.704	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.1	148.7	178.1	-60.3	179.5	-176.4	177.7	0	111.3	A141 Y142 Y147	A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.21Å; A141-K145 WeakPolarHBondContact CB-O 3.31Å; Y142-K145 PolarHBondContact N-O 2.85Å; Y142-K145 PolarHBondContact O-N 2.8Å; K145-Y147 PolarHBondContact O-N 3.25Å
146	D	98.8	Very high	98.4	Very high	120 Å²	120	52.3 Å²	52.3	64%	0.642	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.6	137.7	174.1	-64.9	-42.4	0	0	0	111.4	A160	D146-A160 HydrophobicContact CB-CB 4.4Å; D146-A160 WeakPolarHBondContact O-CB 3.39Å
147	Y	98.8	Very high	98.4	Very high	10 Å²	10	52.6 Å²	52.6	4%	0.039	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	-63.9	179.3	179.6	-113.4	0	0	0	110.4	L105 Y109 Y140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.31Å; L105-Y147 HydrophobicContact CD2-CD2 4.18Å; L105-Y147 HydrophobicContact CD2-CE1 3.68Å; L105-Y147 HydrophobicContact CD2-CE2 3.52Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.41Å; Y109-Y147 HydrophobicContact CE2-CD2 4.44Å; Y109-Y147 HydrophobicContact CE2-CE2 4.19Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.3Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.49Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.47Å; Y140-Y147 WeakPolarHBondContact O-CB 3.18Å; Y140-Y147 PolarHBondContact O-N 2.85Å; K145-Y147 PolarHBondContact O-N 3.25Å; Y147-A160 WeakPolarHBondContact O-CB 3.31Å; Y147-A160 PolarHBondContact O-N 2.94Å; Y147-A163 PolarHBondContact OH-O 3.46Å; Y147-A164 HydrophobicContact CD2-CB 3.83Å; Y147-A164 VanDerWaalsContact CE2-CA 3.41Å; Y147-A164 HydrophobicContact CE2-CB 3.67Å; Y147-A164 HydrophobicContact CG-CB 4.38Å; Y147-A164 WeakPolarHBondContact O-CB 3.49Å; Y147-T167 HydrophobicContact CE1-CG2 4.26Å; Y147-T167 WeakPolarHBondContact OH-CB 3.22Å; Y147-T167 PolarHBondContact OH-OG1 3.4Å
148	I	98.8	Very high	98.4	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.015	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	140.5	177.6	-164.5	173.2	0	0	0	110.6	Y140 W157 T158 T167 Q168 W171	Y140-I148 HydrophobicContact CD2-CG2 4.4Å; Y140-I148 PolarHBondContact N-O 3.14Å; Y140-I148 PolarHBondContact O-N 2.85Å; I148-W157 HydrophobicContact CD1-CB 4.19Å; I148-W157 HydrophobicContact CD1-CD2 4.3Å; I148-W157 HydrophobicContact CD1-CE3 4.11Å; I148-W157 HydrophobicContact CD1-CG 4.36Å; I148-W157 HydrophobicContact CG1-CB 4.33Å; I148-W157 HydrophobicContact CG1-CE3 3.97Å; I148-T158 WeakPolarHBondContact CA-O 3.43Å; I148-T158 WeakPolarHBondContact CG1-O 3.03Å; I148-T167 HydrophobicContact CD1-CG2 4.42Å; I148-Q168 HydrophobicContact CD1-CB 3.83Å; I148-W171 HydrophobicContact CD1-CE3 4.01Å; I148-W171 HydrophobicContact CD1-CZ3 4.23Å; I148-W171 HydrophobicContact CG2-CE3 4.38Å; I148-W171 HydrophobicContact CG2-CH2 3.98Å; I148-W171 HydrophobicContact CG2-CZ3 3.57Å
149	A	98.8	Very high	98.4	Very high	33 Å²	33	55.2 Å²	55.2	27%	0.273	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	140.8	178.1	0	0	0	0	0	111.7	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.84Å; A149-W157 WeakPolarHBondContact O-CA 3.45Å; A149-T158 PolarHBondContact N-O 3.26Å; A149-T158 PolarHBondContact O-N 2.83Å
150	L	98.8	Very high	98.4	Very high	14 Å²	14	54.7 Å²	54.7	7%	0.073	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	129.5	169.1	-175.9	67.1	0	0	0	108.7	D138 L154 W157 A177 L180 L184	D138-L150 HydrophobicContact CB-CB 4.02Å; D138-L150 HydrophobicContact CB-CD2 4.17Å; D138-L150 WeakPolarHBondContact O-CB 3.12Å; D138-L150 PolarHBondContact O-N 2.03Å; L150-L154 HydrophobicContact CD2-CD2 3.77Å; L150-L154 HydrophobicContact CG-CD2 4.26Å; L150-W157 HydrophobicContact CB-CE3 4.05Å; L150-W157 HydrophobicContact CB-CH2 4.15Å; L150-W157 HydrophobicContact CB-CZ3 3.69Å; L150-W157 HydrophobicContact CD1-CD2 4.27Å; L150-W157 HydrophobicContact CD1-CE3 4.33Å; L150-W157 HydrophobicContact CD1-CH2 4.1Å; L150-W157 HydrophobicContact CD1-CZ2 4.02Å; L150-W157 HydrophobicContact CD1-CZ3 4.24Å; L150-A177 HydrophobicContact CD1-CB 3.88Å; L150-L180 HydrophobicContact CD2-CB 4.23Å; L150-L184 HydrophobicContact CD2-CD1 3.91Å
151	N	98.6	Very high	98.4	Very high	43 Å²	43	56.2 Å²	56.2	23%	0.23	31%	0.313	C	S	.	.			trans	-75.9	164.3	-179.1	-66.1	-24	0	0	0	111.6	D153 L154 S156 W157 T158	N151-D153 PolarHBondContact O-N 2.96Å; N151-D153 VanDerWaalsContact O-N 3.07Å; N151-L154 WeakPolarHBondContact O-CA 3.4Å; N151-L154 PolarHBondContact O-N 3.46Å; N151-S156 WeakPolarHBondContact CB-O 3.02Å; N151-S156 PolarHBondContact N-O 2.96Å; N151-S156 PolarHBondContact ND2-OG 3.11Å; N151-W157 PolarHBondContact ND2-N 3.5Å; N151-T158 WeakPolarHBondContact OD1-CB 3.49Å; N151-T158 PolarHBondContact OD1-N 3.38Å; N151-T158 PolarHBondContact OD1-OG1 2.88Å
152	E	97.6	Very high	98.4	Very high	137 Å²	137	60.6 Å²	60.6	64%	0.64	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.1	-177.7	-60.2	-179.2	-162.6	0	0	113.9	R135 L154	R135-E152 IonicContact CZ-OE1 2.78Å; R135-E152 IonicContact NH1-OE1 2.67Å; R135-E152 PolarHBondContact NH1-OE1 2.95Å; R135-E152 IonicContact NH1-OE2 3.57Å; R135-E152 PolarHBondContact NH1-OE2 2.71Å; R135-E152 VanDerWaalsContact NH2-CD 3.31Å; R135-E152 IonicContact NH2-OE1 2.75Å; R135-E152 PolarHBondContact NH2-OE1 2.98Å; E152-L154 PolarHBondContact O-N 3.04Å
153	D	97.5	Very high	98.3	Very high	74 Å²	74	60.4 Å²	60.4	40%	0.396	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-9.2	172.4	71	-2.7	0	0	0	113.8	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.96Å; N151-D153 VanDerWaalsContact O-N 3.07Å; D153-R155 WeakPolarHBondContact O-CD 3.16Å; D153-R155 VanDerWaalsContact O-CG 3.28Å; D153-R155 WeakPolarHBondContact O-CG 3Å; D153-R155 PolarHBondContact O-N 3.28Å; D153-R155 PolarHBondContact OD1-N 2.87Å; D153-S156 VanDerWaalsContact CG-OG 3.22Å; D153-S156 PolarHBondContact OD1-N 3.44Å; D153-S156 PolarHBondContact OD1-OG 2.9Å; D153-S156 WeakPolarHBondContact OD2-CB 3.24Å; D153-S156 PolarHBondContact OD2-N 2.68Å; D153-S156 PolarHBondContact OD2-OG 3.45Å
154	L	98.1	Very high	98.3	Very high	8 Å²	8	57.5 Å²	57.5	4%	0.042	32%	0.323	C	S	.	.	S	Bend	trans	52.1	31.2	-172.8	-54.1	-178.9	0	0	0	113.4	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.04Å; L150-L154 HydrophobicContact CD2-CD2 3.77Å; L150-L154 HydrophobicContact CG-CD2 4.26Å; N151-L154 WeakPolarHBondContact O-CA 3.4Å; N151-L154 PolarHBondContact O-N 3.46Å; E152-L154 PolarHBondContact O-N 3.04Å; L154-R181 HydrophobicContact CB-CB 3.98Å; L154-R181 HydrophobicContact CB-CG 3.72Å; L154-R181 HydrophobicContact CD1-CG 4.17Å; L154-R181 WeakPolarHBondContact O-CD 3.38Å; L154-L184 HydrophobicContact CD1-CB 4.44Å; L154-L184 HydrophobicContact CD2-CD1 4Å; L154-E185 HydrophobicContact CD1-CG 4.23Å
155	R	97.7	Very high	98.4	Very high	161 Å²	161	58 Å²	58	61%	0.608	31%	0.309	S	S	*	.	S	Bend	trans	-137.9	-33.8	-173.3	-68.5	158.2	-175.3	-96.1	5.3	113.3	D153	D153-R155 WeakPolarHBondContact O-CD 3.16Å; D153-R155 VanDerWaalsContact O-CG 3.28Å; D153-R155 WeakPolarHBondContact O-CG 3Å; D153-R155 PolarHBondContact O-N 3.28Å; D153-R155 PolarHBondContact OD1-N 2.87Å
156	S	98	Very high	98.4	Very high	43 Å²	43	53.1 Å²	53.1	30%	0.301	29%	0.29	S	S	.	.			trans	-113.8	165.4	-178.1	62.5	0	0	0	0	112	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.02Å; N151-S156 PolarHBondContact N-O 2.96Å; N151-S156 PolarHBondContact ND2-OG 3.11Å; D153-S156 VanDerWaalsContact CG-OG 3.22Å; D153-S156 PolarHBondContact OD1-N 3.44Å; D153-S156 PolarHBondContact OD1-OG 2.9Å; D153-S156 WeakPolarHBondContact OD2-CB 3.24Å; D153-S156 PolarHBondContact OD2-N 2.68Å; D153-S156 PolarHBondContact OD2-OG 3.45Å
157	W	98.7	Very high	98.4	Very high	11 Å²	11	48.1 Å²	48.1	4%	0.042	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	143.1	-175.4	-63.6	97.7	0	0	0	111.2	I148 A149 L150 N151 Q168 W171 E176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.19Å; I148-W157 HydrophobicContact CD1-CD2 4.3Å; I148-W157 HydrophobicContact CD1-CE3 4.11Å; I148-W157 HydrophobicContact CD1-CG 4.36Å; I148-W157 HydrophobicContact CG1-CB 4.33Å; I148-W157 HydrophobicContact CG1-CE3 3.97Å; A149-W157 WeakPolarHBondContact O-CA 3.45Å; L150-W157 HydrophobicContact CB-CE3 4.05Å; L150-W157 HydrophobicContact CB-CH2 4.15Å; L150-W157 HydrophobicContact CB-CZ3 3.69Å; L150-W157 HydrophobicContact CD1-CD2 4.27Å; L150-W157 HydrophobicContact CD1-CE3 4.33Å; L150-W157 HydrophobicContact CD1-CH2 4.1Å; L150-W157 HydrophobicContact CD1-CZ2 4.02Å; L150-W157 HydrophobicContact CD1-CZ3 4.24Å; N151-W157 PolarHBondContact ND2-N 3.5Å; W157-Q168 HydrophobicContact CB-CG 4.1Å; W157-Q168 PolarHBondContact O-NE2 3.31Å; W157-W171 HydrophobicContact CD2-CE3 4.12Å; W157-W171 AromaticContact CE2-CE3 3.9Å; W157-W171 AromaticContact CE3-CE3 3.98Å; W157-W171 HydrophobicContact CE3-CE3 3.98Å; W157-W171 HydrophobicContact CE3-CZ3 4.13Å; W157-W171 HydrophobicContact CH2-CD2 4.49Å; W157-W171 AromaticContact CH2-CE3 3.42Å; W157-W171 HydrophobicContact CH2-CE3 3.42Å; W157-W171 VanDerWaalsContact CH2-CE3 3.42Å; W157-W171 AromaticContact CH2-CZ3 3.54Å; W157-W171 HydrophobicContact CH2-CZ3 3.54Å; W157-W171 HydrophobicContact CZ2-CB 4.42Å; W157-W171 HydrophobicContact CZ2-CD2 4.36Å; W157-W171 AromaticContact CZ2-CE3 3.56Å; W157-W171 HydrophobicContact CZ2-CE3 3.56Å; W157-W171 HydrophobicContact CZ2-CZ3 4.18Å; W157-W171 AromaticContact CZ3-CE3 3.65Å; W157-W171 HydrophobicContact CZ3-CE3 3.65Å; W157-W171 AromaticContact CZ3-CZ3 3.52Å; W157-W171 HydrophobicContact CZ3-CZ3 3.52Å; W157-E176 HydrophobicContact CZ2-CB 4.39Å; W157-A177 HydrophobicContact CZ2-CB 4.28Å; W157-L180 HydrophobicContact CH2-CD1 3.42Å; W157-L180 VanDerWaalsContact CH2-CD1 3.42Å; W157-L180 HydrophobicContact CZ2-CD1 3.78Å
158	T	98.8	Very high	98.4	Very high	80 Å²	80	49.5 Å²	49.5	49%	0.491	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	116.9	164.6	-66.3	0	0	0	0	109	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.43Å; I148-T158 WeakPolarHBondContact CG1-O 3.03Å; A149-T158 PolarHBondContact N-O 3.26Å; A149-T158 PolarHBondContact O-N 2.83Å; N151-T158 WeakPolarHBondContact OD1-CB 3.49Å; N151-T158 PolarHBondContact OD1-N 3.38Å; N151-T158 PolarHBondContact OD1-OG1 2.88Å
159	A	98.7	Very high	98.4	Very high	22 Å²	22	56.4 Å²	56.4	18%	0.182	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	127.8	175.3	0	0	0	0	0	110.3	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.64Å; A159-Q165 HydrophobicContact CB-CG 4.01Å; A159-Q168 HydrophobicContact CB-CB 4.37Å; A159-Q168 VanDerWaalsContact CB-OE1 3.27Å
160	A	98.6	Very high	98.3	Very high	60 Å²	60	60.3 Å²	60.3	50%	0.496	31%	0.308	S	S	.	.	S	Bend	trans	-71.5	-30.3	-175.1	0	0	0	0	0	113.6	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.4Å; D146-A160 WeakPolarHBondContact O-CB 3.39Å; Y147-A160 WeakPolarHBondContact O-CB 3.31Å; Y147-A160 PolarHBondContact O-N 2.94Å
161	D	98.4	Very high	98.3	Very high	52 Å²	52	62.1 Å²	62.1	28%	0.278	31%	0.314	S	S	.	.	S	Bend	trans	-149.1	-173.9	-178.7	69.5	31.2	0	0	0	113.7	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.43Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.29Å; Y109-D161 PolarHBondContact OH-OD1 2.8Å; Y109-D161 PolarHBondContact OH-OD2 3.32Å; D161-A163 VanDerWaalsContact C-N 3.34Å; D161-A163 PolarHBondContact O-N 3.14Å; D161-A163 WeakPolarHBondContact OD1-CA 3.43Å; D161-A163 WeakPolarHBondContact OD1-CB 3.47Å; D161-A163 PolarHBondContact OD1-N 2.88Å; D161-A164 WeakPolarHBondContact O-CB 3.24Å; D161-A164 PolarHBondContact O-N 3.02Å; D161-A164 PolarHBondContact OD1-N 2.63Å; D161-Q165 WeakPolarHBondContact O-CG 3.43Å; D161-Q165 PolarHBondContact O-N 2.83Å
162	T	98.2	Very high	98.3	Very high	110 Å²	110	64.5 Å²	64.5	68%	0.675	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-23.3	-179.4	51.2	0	0	0	0	114.4
163	A	98	Very high	98.3	Very high	6 Å²	6	62 Å²	62	5%	0.05	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-33.1	172.8	0	0	0	0	0	111.3	Y108 Y109 Y147 D161 I166	Y108-A163 HydrophobicContact CD2-CB 4.46Å; Y109-A163 HydrophobicContact CD1-CB 4.23Å; Y109-A163 HydrophobicContact CE1-CB 3.69Å; Y109-A163 HydrophobicContact CE2-CB 4.03Å; Y147-A163 PolarHBondContact OH-O 3.46Å; D161-A163 VanDerWaalsContact C-N 3.34Å; D161-A163 PolarHBondContact O-N 3.14Å; D161-A163 WeakPolarHBondContact OD1-CA 3.43Å; D161-A163 WeakPolarHBondContact OD1-CB 3.47Å; D161-A163 PolarHBondContact OD1-N 2.88Å; A163-I166 WeakPolarHBondContact O-CB 3.47Å; A163-I166 PolarHBondContact O-N 3.4Å
164	A	98.5	Very high	98.4	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-64.9	-38.8	169.6	0	0	0	0	0	112.3	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.83Å; Y147-A164 VanDerWaalsContact CE2-CA 3.41Å; Y147-A164 HydrophobicContact CE2-CB 3.67Å; Y147-A164 HydrophobicContact CG-CB 4.38Å; Y147-A164 WeakPolarHBondContact O-CB 3.49Å; A159-A164 HydrophobicContact CB-CB 3.64Å; D161-A164 WeakPolarHBondContact O-CB 3.24Å; D161-A164 PolarHBondContact O-N 3.02Å; D161-A164 PolarHBondContact OD1-N 2.63Å; A164-I166 PolarHBondContact O-N 2.92Å; A164-I166 VanDerWaalsContact O-N 3.15Å; A164-T167 WeakPolarHBondContact O-CA 3.3Å; A164-T167 PolarHBondContact O-N 3.49Å; A164-Q168 PolarHBondContact O-N 2.89Å
165	Q	98.7	Very high	98.3	Very high	69 Å²	69	67.6 Å²	67.6	32%	0.322	35%	0.352	S	S	.	.	H	α-helix	trans	-59	-25.2	173.9	-73	175.1	23.9	0	0	113.7	A159 D161 R169	A159-Q165 HydrophobicContact CB-CG 4.01Å; D161-Q165 WeakPolarHBondContact O-CG 3.43Å; D161-Q165 PolarHBondContact O-N 2.83Å; Q165-R169 WeakPolarHBondContact O-CD 3.39Å; Q165-R169 VanDerWaalsContact O-CG 3.26Å; Q165-R169 WeakPolarHBondContact O-CG 3.4Å; Q165-R169 PolarHBondContact O-N 2.94Å
166	I	98.3	Very high	98.3	Very high	59 Å²	59	62.7 Å²	62.7	30%	0.303	34%	0.336	S	S	.	.	H	α-helix	trans	-68.6	-38.7	173.8	-57.9	171.9	0	0	0	110.5	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.16Å; Y108-I166 HydrophobicContact CD2-CD1 4.39Å; Y108-I166 HydrophobicContact CE1-CG2 4.06Å; Y108-I166 HydrophobicContact CE2-CB 4.2Å; Y108-I166 HydrophobicContact CE2-CG2 4.05Å; Y108-I166 HydrophobicContact CG-CD1 4.1Å; A163-I166 WeakPolarHBondContact O-CB 3.47Å; A163-I166 PolarHBondContact O-N 3.4Å; A164-I166 PolarHBondContact O-N 2.92Å; A164-I166 VanDerWaalsContact O-N 3.15Å; I166-K170 WeakPolarHBondContact O-CG 3.42Å
167	T	98.4	Very high	98.3	Very high	16 Å²	16	61 Å²	61	10%	0.098	33%	0.325	C	S	.	.	H	α-helix	trans	-75.6	-43	177.3	-65.4	0	0	0	0	111.2	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.26Å; Y147-T167 WeakPolarHBondContact OH-CB 3.22Å; Y147-T167 PolarHBondContact OH-OG1 3.4Å; I148-T167 HydrophobicContact CD1-CG2 4.42Å; A164-T167 WeakPolarHBondContact O-CA 3.3Å; A164-T167 PolarHBondContact O-N 3.49Å; T167-R169 PolarHBondContact O-N 3.31Å; T167-K170 WeakPolarHBondContact O-CB 3.34Å; T167-K170 PolarHBondContact O-N 3.36Å; T167-K170 VanDerWaalsContact O-N 3.07Å; T167-W171 HydrophobicContact CG2-CD2 3.69Å; T167-W171 VanDerWaalsContact CG2-CE2 3.48Å; T167-W171 HydrophobicContact CG2-CE3 4.1Å; T167-W171 HydrophobicContact CG2-CG 4.2Å; T167-W171 HydrophobicContact CG2-CH2 4.14Å; T167-W171 HydrophobicContact CG2-CZ2 3.73Å; T167-W171 HydrophobicContact CG2-CZ3 4.31Å; T167-W171 PolarHBondContact O-N 3.49Å
168	Q	98.7	Very high	98.3	Very high	38 Å²	38	65.2 Å²	65.2	18%	0.178	35%	0.345	C	S	.	.	H	α-helix	trans	-49.2	-56	173.3	174.4	171.5	9	0	0	111.9	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.83Å; W157-Q168 HydrophobicContact CB-CG 4.1Å; W157-Q168 PolarHBondContact O-NE2 3.31Å; A159-Q168 HydrophobicContact CB-CB 4.37Å; A159-Q168 VanDerWaalsContact CB-OE1 3.27Å; A164-Q168 PolarHBondContact O-N 2.89Å; Q168-K170 PolarHBondContact O-N 3.01Å; Q168-W171 PolarHBondContact O-N 3.35Å; Q168-E172 VanDerWaalsContact CG-CD 3.44Å; Q168-E172 HydrophobicContact CG-CG 4.21Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.47Å; Q168-E172 PolarHBondContact NE2-OE1 2.93Å; Q168-E172 WeakPolarHBondContact O-CB 3.47Å; Q168-E172 WeakPolarHBondContact O-CG 3.4Å; Q168-E172 PolarHBondContact O-N 3.44Å
169	R	98.7	Very high	98.2	Very high	148 Å²	148	67.3 Å²	67.3	56%	0.558	35%	0.349	S	S	*	.	H	α-helix	trans	-60.5	-30.6	-178.6	-66.9	167.5	-163.4	154.6	10.3	113	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CD 3.39Å; Q165-R169 VanDerWaalsContact O-CG 3.26Å; Q165-R169 WeakPolarHBondContact O-CG 3.4Å; Q165-R169 PolarHBondContact O-N 2.94Å; T167-R169 PolarHBondContact O-N 3.31Å; R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.34Å; R169-A173 PolarHBondContact O-N 3.48Å
170	K	98.2	Very high	98.1	Very high	115 Å²	115	67.6 Å²	67.6	50%	0.5	35%	0.348	S	S	.	.	H	α-helix	trans	-72.6	-44.4	174.7	-71.6	172.6	178.4	-176.4	0	111.4	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 2.94Å; I166-K170 WeakPolarHBondContact O-CG 3.42Å; T167-K170 WeakPolarHBondContact O-CB 3.34Å; T167-K170 PolarHBondContact O-N 3.36Å; T167-K170 VanDerWaalsContact O-N 3.07Å; Q168-K170 PolarHBondContact O-N 3.01Å; K170-A173 PolarHBondContact O-N 3.39Å; K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.34Å; K170-A174 PolarHBondContact O-N 2.94Å
171	W	98.3	Very high	98.1	Very high	53 Å²	53	68.1 Å²	68.1	20%	0.201	34%	0.337	C	S	.	.	H	α-helix	trans	-72	-31.9	-179.8	-71.3	-2.7	0	0	0	113.2	Y140 I148 W157 T167 Q168 R175 E176	Y140-W171 AromaticContact CD2-CH2 3.83Å; Y140-W171 HydrophobicContact CD2-CH2 3.83Å; Y140-W171 HydrophobicContact CD2-CZ3 4.31Å; Y140-W171 AromaticContact CE2-CH2 3.55Å; Y140-W171 HydrophobicContact CE2-CH2 3.55Å; Y140-W171 HydrophobicContact CE2-CZ3 4.21Å; I148-W171 HydrophobicContact CD1-CE3 4.01Å; I148-W171 HydrophobicContact CD1-CZ3 4.23Å; I148-W171 HydrophobicContact CG2-CE3 4.38Å; I148-W171 HydrophobicContact CG2-CH2 3.98Å; I148-W171 HydrophobicContact CG2-CZ3 3.57Å; W157-W171 HydrophobicContact CD2-CE3 4.12Å; W157-W171 AromaticContact CE2-CE3 3.9Å; W157-W171 AromaticContact CE3-CE3 3.98Å; W157-W171 HydrophobicContact CE3-CE3 3.98Å; W157-W171 HydrophobicContact CE3-CZ3 4.13Å; W157-W171 HydrophobicContact CH2-CD2 4.49Å; W157-W171 AromaticContact CH2-CE3 3.42Å; W157-W171 HydrophobicContact CH2-CE3 3.42Å; W157-W171 VanDerWaalsContact CH2-CE3 3.42Å; W157-W171 AromaticContact CH2-CZ3 3.54Å; W157-W171 HydrophobicContact CH2-CZ3 3.54Å; W157-W171 HydrophobicContact CZ2-CB 4.42Å; W157-W171 HydrophobicContact CZ2-CD2 4.36Å; W157-W171 AromaticContact CZ2-CE3 3.56Å; W157-W171 HydrophobicContact CZ2-CE3 3.56Å; W157-W171 HydrophobicContact CZ2-CZ3 4.18Å; W157-W171 AromaticContact CZ3-CE3 3.65Å; W157-W171 HydrophobicContact CZ3-CE3 3.65Å; W157-W171 AromaticContact CZ3-CZ3 3.52Å; W157-W171 HydrophobicContact CZ3-CZ3 3.52Å; T167-W171 HydrophobicContact CG2-CD2 3.69Å; T167-W171 VanDerWaalsContact CG2-CE2 3.48Å; T167-W171 HydrophobicContact CG2-CE3 4.1Å; T167-W171 HydrophobicContact CG2-CG 4.2Å; T167-W171 HydrophobicContact CG2-CH2 4.14Å; T167-W171 HydrophobicContact CG2-CZ2 3.73Å; T167-W171 HydrophobicContact CG2-CZ3 4.31Å; T167-W171 PolarHBondContact O-N 3.49Å; Q168-W171 PolarHBondContact O-N 3.35Å; W171-R175 WeakPolarHBondContact O-CA 3.39Å; W171-R175 PolarHBondContact O-N 2.94Å; W171-E176 HydrophobicContact CB-CB 4.07Å; W171-E176 HydrophobicContact CB-CG 3.86Å; W171-E176 HydrophobicContact CG-CB 4.28Å; W171-E176 HydrophobicContact CG-CG 3.84Å; W171-E176 PolarHBondContact O-N 2.86Å
172	E	98.5	Very high	98.1	Very high	92 Å²	92	68.8 Å²	68.8	43%	0.43	35%	0.349	S	S	.	.	H	α-helix	trans	-65.5	-47.5	169.2	-71.6	168	165.7	0	0	111.1	Q168 A174 R175	Q168-E172 VanDerWaalsContact CG-CD 3.44Å; Q168-E172 HydrophobicContact CG-CG 4.21Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.47Å; Q168-E172 PolarHBondContact NE2-OE1 2.93Å; Q168-E172 WeakPolarHBondContact O-CB 3.47Å; Q168-E172 WeakPolarHBondContact O-CG 3.4Å; Q168-E172 PolarHBondContact O-N 3.44Å; E172-A174 VanDerWaalsContact C-N 3.34Å; E172-A174 PolarHBondContact O-N 3.35Å; E172-R175 PolarHBondContact O-N 3.49Å; E172-R175 VanDerWaalsContact O-N 3.14Å
173	A	98.4	Very high	98.1	Very high	86 Å²	86	65.6 Å²	65.6	71%	0.711	33%	0.325	S	S	*	.	H	α-helix	trans	-65.1	-34.5	177.1	0	0	0	0	0	113.3	R169 K170 R175	R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.34Å; R169-A173 PolarHBondContact O-N 3.48Å; K170-A173 PolarHBondContact O-N 3.39Å; A173-R175 VanDerWaalsContact C-N 3.34Å
174	A	97.9	Very high	98.1	Very high	51 Å²	51	65.4 Å²	65.4	42%	0.421	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-4.3	174.5	0	0	0	0	0	113.9	K170 E172 E176	K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.34Å; K170-A174 PolarHBondContact O-N 2.94Å; E172-A174 VanDerWaalsContact C-N 3.34Å; E172-A174 PolarHBondContact O-N 3.35Å; A174-E176 VanDerWaalsContact C-N 3.26Å; A174-E176 HydrophobicContact CB-CG 4.02Å; A174-E176 PolarHBondContact O-N 3.31Å
175	R	97.7	Very high	98.1	Very high	147 Å²	147	69.6 Å²	69.6	56%	0.555	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	32.7	-179.6	-40.3	-176.5	93.9	-132.3	-7.5	113.8	W171 E172 A173 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.39Å; W171-R175 PolarHBondContact O-N 2.94Å; E172-R175 PolarHBondContact O-N 3.49Å; E172-R175 VanDerWaalsContact O-N 3.14Å; A173-R175 VanDerWaalsContact C-N 3.34Å; R175-A177 PolarHBondContact O-N 3.34Å; R175-A177 VanDerWaalsContact O-N 3.14Å; R175-E178 HydrophobicContact CB-CG 4.33Å; R175-E178 VanDerWaalsContact CZ-CD 3.41Å; R175-E178 IonicContact CZ-OE1 3.98Å; R175-E178 IonicContact CZ-OE2 2.79Å; R175-E178 IonicContact NE-OE1 3.84Å; R175-E178 IonicContact NE-OE2 3.92Å; R175-E178 IonicContact NH1-OE1 3.22Å; R175-E178 PolarHBondContact NH1-OE1 3.38Å; R175-E178 IonicContact NH1-OE2 3.63Å; R175-E178 PolarHBondContact NH1-OE2 2.82Å; R175-E178 IonicContact NH2-OE1 3.85Å; R175-E178 PolarHBondContact NH2-OE1 3.45Å; R175-E178 IonicContact NH2-OE2 3.86Å; R175-E178 WeakPolarHBondContact O-CB 3.36Å; R175-E178 PolarHBondContact O-N 3.31Å
176	E	97.4	Very high	98	Very high	59 Å²	59	67.4 Å²	67.4	28%	0.276	34%	0.339	S	S	.	.	H	α-helix	trans	-57.1	-33.4	-174.3	-60.6	-70.6	-171.5	0	0	113.1	W157 W171 A174 E178 Q179 L180	W157-E176 HydrophobicContact CZ2-CB 4.39Å; W171-E176 HydrophobicContact CB-CB 4.07Å; W171-E176 HydrophobicContact CB-CG 3.86Å; W171-E176 HydrophobicContact CG-CB 4.28Å; W171-E176 HydrophobicContact CG-CG 3.84Å; W171-E176 PolarHBondContact O-N 2.86Å; A174-E176 VanDerWaalsContact C-N 3.26Å; A174-E176 HydrophobicContact CB-CG 4.02Å; A174-E176 PolarHBondContact O-N 3.31Å; E176-E178 PolarHBondContact O-N 2.92Å; E176-Q179 PolarHBondContact O-N 2.87Å; E176-Q179 VanDerWaalsContact O-N 3.09Å; E176-Q179 PolarHBondContact OE2-NE2 2.85Å; E176-L180 WeakPolarHBondContact O-CG 3.44Å; E176-L180 PolarHBondContact O-N 3.03Å
177	A	98.3	Very high	98	Very high	6 Å²	6	68.7 Å²	68.7	5%	0.05	35%	0.346	C	S	.	.	H	α-helix	trans	-58.7	-32.7	175.6	0	0	0	0	0	112.7	L150 W157 R175 R181	L150-A177 HydrophobicContact CD1-CB 3.88Å; W157-A177 HydrophobicContact CZ2-CB 4.28Å; R175-A177 PolarHBondContact O-N 3.34Å; R175-A177 VanDerWaalsContact O-N 3.14Å; A177-R181 WeakPolarHBondContact O-CB 3.32Å; A177-R181 PolarHBondContact O-N 2.93Å
178	E	97.8	Very high	98	Very high	100 Å²	100	68 Å²	68	47%	0.467	34%	0.341	S	S	.	.	H	α-helix	trans	-68.5	-37.1	176.4	-61.4	-175.6	150.3	0	0	111.8	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.33Å; R175-E178 VanDerWaalsContact CZ-CD 3.41Å; R175-E178 IonicContact CZ-OE1 3.98Å; R175-E178 IonicContact CZ-OE2 2.79Å; R175-E178 IonicContact NE-OE1 3.84Å; R175-E178 IonicContact NE-OE2 3.92Å; R175-E178 IonicContact NH1-OE1 3.22Å; R175-E178 PolarHBondContact NH1-OE1 3.38Å; R175-E178 IonicContact NH1-OE2 3.63Å; R175-E178 PolarHBondContact NH1-OE2 2.82Å; R175-E178 IonicContact NH2-OE1 3.85Å; R175-E178 PolarHBondContact NH2-OE1 3.45Å; R175-E178 IonicContact NH2-OE2 3.86Å; R175-E178 WeakPolarHBondContact O-CB 3.36Å; R175-E178 PolarHBondContact O-N 3.31Å; E176-E178 PolarHBondContact O-N 2.92Å; E178-A182 WeakPolarHBondContact O-CB 3.32Å; E178-A182 PolarHBondContact O-N 2.89Å
179	Q	96.1	Very high	98	Very high	124 Å²	124	66.5 Å²	66.5	58%	0.579	34%	0.335	S	S	*	.	H	α-helix	trans	-70.3	-44.5	176.3	-62.8	-177.9	65.9	0	0	111.4	E176 A182 Y183	E176-Q179 PolarHBondContact O-N 2.87Å; E176-Q179 VanDerWaalsContact O-N 3.09Å; E176-Q179 PolarHBondContact OE2-NE2 2.85Å; Q179-A182 PolarHBondContact O-N 2.94Å; Q179-Y183 PolarHBondContact O-N 2.84Å
180	L	97.6	Very high	98	Very high	29 Å²	29	64.9 Å²	64.9	15%	0.152	33%	0.333	C	S	.	.	H	α-helix	trans	-64.1	-44.6	176.9	-69.2	166.5	0	0	0	111.2	D138 L150 W157 E176 A182 Y183 L184	D138-L180 HydrophobicContact CB-CD1 4.32Å; D138-L180 VanDerWaalsContact OD2-CD1 3.25Å; D138-L180 WeakPolarHBondContact OD2-CD1 3.48Å; L150-L180 HydrophobicContact CD2-CB 4.23Å; W157-L180 HydrophobicContact CH2-CD1 3.42Å; W157-L180 VanDerWaalsContact CH2-CD1 3.42Å; W157-L180 HydrophobicContact CZ2-CD1 3.78Å; E176-L180 WeakPolarHBondContact O-CG 3.44Å; E176-L180 PolarHBondContact O-N 3.03Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 2.79Å; L180-Y183 WeakPolarHBondContact O-CB 3.37Å; L180-Y183 PolarHBondContact O-N 2.93Å; L180-Y183 VanDerWaalsContact O-N 3.14Å; L180-L184 WeakPolarHBondContact O-CB 3.38Å; L180-L184 VanDerWaalsContact O-CG 3.24Å; L180-L184 WeakPolarHBondContact O-CG 3.48Å; L180-L184 PolarHBondContact O-N 3.43Å
181	R	98.2	Very high	98	Very high	71 Å²	71	61.4 Å²	61.4	27%	0.268	32%	0.317	S	S	.	.	H	α-helix	trans	-59.1	-43.2	175	-174.7	171.1	175.5	-102.9	-18.5	112.1	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 3.98Å; L154-R181 HydrophobicContact CB-CG 3.72Å; L154-R181 HydrophobicContact CD1-CG 4.17Å; L154-R181 WeakPolarHBondContact O-CD 3.38Å; A177-R181 WeakPolarHBondContact O-CB 3.32Å; A177-R181 PolarHBondContact O-N 2.93Å; R181-Y183 VanDerWaalsContact C-N 3.32Å; R181-Y183 PolarHBondContact O-N 2.93Å; R181-L184 PolarHBondContact O-N 3.02Å; R181-E185 HydrophobicContact CG-CG 4.03Å; R181-E185 IonicContact CZ-OE1 2.73Å; R181-E185 IonicContact CZ-OE2 2.77Å; R181-E185 VanDerWaalsContact NE-CD 3.32Å; R181-E185 IonicContact NE-OE1 3.8Å; R181-E185 PolarHBondContact NE-OE1 3.04Å; R181-E185 IonicContact NE-OE2 3.59Å; R181-E185 PolarHBondContact NE-OE2 3.46Å; R181-E185 IonicContact NH1-OE2 3.85Å; R181-E185 IonicContact NH2-OE1 3.38Å; R181-E185 PolarHBondContact NH2-OE1 3.34Å; R181-E185 IonicContact NH2-OE2 3.17Å; R181-E185 PolarHBondContact NH2-OE2 2.93Å; R181-E185 WeakPolarHBondContact O-CB 3.4Å; R181-E185 WeakPolarHBondContact O-CG 3.26Å; R181-E185 PolarHBondContact O-N 3.36Å
182	A	98.2	Very high	98	Very high	65 Å²	65	58.9 Å²	58.9	54%	0.537	31%	0.308	S	S	.	.	H	α-helix	trans	-63.5	-34.7	175.7	0	0	0	0	0	113.1	E178 Q179 L180 G186	E178-A182 WeakPolarHBondContact O-CB 3.32Å; E178-A182 PolarHBondContact O-N 2.89Å; Q179-A182 PolarHBondContact O-N 2.94Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 2.79Å; A182-G186 PolarHBondContact O-N 2.94Å
183	Y	97.9	Very high	97.9	Very high	44 Å²	44	60.1 Å²	60.1	17%	0.173	31%	0.309	C	S	.	.	I	π-helix	trans	-69.3	-45.4	171.1	169.8	-100.2	0	0	0	112.2	Y123 Q179 L180 R181 G186 L187 C188	Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 3.62Å; Y123-Y183 HydrophobicContact CE2-CE1 3.62Å; Y123-Y183 AromaticContact CE2-CZ 3.98Å; Q179-Y183 PolarHBondContact O-N 2.84Å; L180-Y183 WeakPolarHBondContact O-CB 3.37Å; L180-Y183 PolarHBondContact O-N 2.93Å; L180-Y183 VanDerWaalsContact O-N 3.14Å; R181-Y183 VanDerWaalsContact C-N 3.32Å; R181-Y183 PolarHBondContact O-N 2.93Å; Y183-G186 CarbonylContact O-C 3.4Å; Y183-L187 HydrophobicContact CD2-CB 3.76Å; Y183-L187 HydrophobicContact CD2-CD1 4.21Å; Y183-L187 HydrophobicContact CE2-CB 3.99Å; Y183-L187 PolarHBondContact O-N 3.27Å; Y183-L187 VanDerWaalsContact O-N 3.16Å; Y183-C188 HydrophobicContact CD1-CB 4.31Å; Y183-C188 HydrophobicContact CE1-CB 3.82Å; Y183-C188 HydrophobicContact CE2-CB 4.44Å; Y183-C188 WeakPolarHBondContact O-CB 3.45Å; Y183-C188 PolarHBondContact O-N 2.89Å
184	L	98.5	Very high	97.9	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	30%	0.296	C	S	.	.	I	π-helix	trans	-71.3	-42.7	-174.5	-70.2	171.9	0	0	0	113	G124 C125 L150 L154 L180 R181 C188	G124-L184 WeakPolarHBondContact O-CD2 3.44Å; C125-L184 HydrophobicContact CB-CD2 4.47Å; L150-L184 HydrophobicContact CD2-CD1 3.91Å; L154-L184 HydrophobicContact CD1-CB 4.44Å; L154-L184 HydrophobicContact CD2-CD1 4Å; L180-L184 WeakPolarHBondContact O-CB 3.38Å; L180-L184 VanDerWaalsContact O-CG 3.24Å; L180-L184 WeakPolarHBondContact O-CG 3.48Å; L180-L184 PolarHBondContact O-N 3.43Å; R181-L184 PolarHBondContact O-N 3.02Å; L184-C188 HydrophobicContact CD2-CB 4.46Å
185	E	97.9	Very high	97.8	Very high	88 Å²	88	59.2 Å²	59.2	41%	0.411	28%	0.276	S	S	.	.	I	π-helix	trans	-75.6	-25.3	177.6	-66.6	-178	161.3	0	0	113.1	L133 L154 R181	L133-E185 HydrophobicContact CD2-CG 3.8Å; L154-E185 HydrophobicContact CD1-CG 4.23Å; R181-E185 HydrophobicContact CG-CG 4.03Å; R181-E185 IonicContact CZ-OE1 2.73Å; R181-E185 IonicContact CZ-OE2 2.77Å; R181-E185 VanDerWaalsContact NE-CD 3.32Å; R181-E185 IonicContact NE-OE1 3.8Å; R181-E185 PolarHBondContact NE-OE1 3.04Å; R181-E185 IonicContact NE-OE2 3.59Å; R181-E185 PolarHBondContact NE-OE2 3.46Å; R181-E185 IonicContact NH1-OE2 3.85Å; R181-E185 IonicContact NH2-OE1 3.38Å; R181-E185 PolarHBondContact NH2-OE1 3.34Å; R181-E185 IonicContact NH2-OE2 3.17Å; R181-E185 PolarHBondContact NH2-OE2 2.93Å; R181-E185 WeakPolarHBondContact O-CB 3.4Å; R181-E185 WeakPolarHBondContact O-CG 3.26Å; R181-E185 PolarHBondContact O-N 3.36Å
186	G	97.9	Very high	97.8	Very high	23 Å²	23	52.8 Å²	52.8	24%	0.237	25%	0.252	C	S	.	.	I	π-helix	trans	-108.1	-95.7	-178.7	0	0	0	0	0	113	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.94Å; Y183-G186 CarbonylContact O-C 3.4Å; G186-C188 VanDerWaalsContact C-N 3.27Å; G186-C188 PolarHBondContact O-N 3.06Å; G186-C188 VanDerWaalsContact O-N 3.13Å; G186-V189 PolarHBondContact O-N 2.87Å; G186-V189 VanDerWaalsContact O-N 3.07Å; G186-E190 PolarHBondContact O-N 3.14Å
187	L	97.8	Very high	97.7	Very high	87 Å²	87	58 Å²	58	46%	0.455	27%	0.274	S	S	.	.	I	π-helix	trans	-53.4	-38.3	-169.1	-72.3	172.5	0	0	0	114	Y183 E190 W191	Y183-L187 HydrophobicContact CD2-CB 3.76Å; Y183-L187 HydrophobicContact CD2-CD1 4.21Å; Y183-L187 HydrophobicContact CE2-CB 3.99Å; Y183-L187 PolarHBondContact O-N 3.27Å; Y183-L187 VanDerWaalsContact O-N 3.16Å; L187-E190 PolarHBondContact O-N 3.16Å; L187-W191 PolarHBondContact O-N 3.4Å
188	C	98.5	Very high	97.6	Very high	0 Å²	0	60 Å²	60	0%	0	28%	0.284	C	S	.	.	I	π-helix	trans	-61.1	-49.8	179.1	-169.5	0	0	0	0	111	M29 C125 Y183 L184 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.16Å; M29-C188 WeakPolarHBondContact CE-O 3.43Å; M29-C188 WeakPolarHBondContact CE-SG 3.33Å; C125-C188 HydrophobicContact CB-CB 3.85Å; C125-C188 WeakPolarHBondContact CB-SG 3.49Å; C125-C188 PolarHBondContact N-SG 2.77Å; C125-C188 VanDerWaalsContact N-SG 3.38Å; C125-C188 WeakPolarHBondContact SG-CB 3.35Å; C125-C188 CovalentContact SG-SG 2.03Å; C125-C188 PolarHBondContact SG-SG 3.14Å; Y183-C188 HydrophobicContact CD1-CB 4.31Å; Y183-C188 HydrophobicContact CE1-CB 3.82Å; Y183-C188 HydrophobicContact CE2-CB 4.44Å; Y183-C188 WeakPolarHBondContact O-CB 3.45Å; Y183-C188 PolarHBondContact O-N 2.89Å; L184-C188 HydrophobicContact CD2-CB 4.46Å; G186-C188 VanDerWaalsContact C-N 3.27Å; G186-C188 PolarHBondContact O-N 3.06Å; G186-C188 VanDerWaalsContact O-N 3.13Å; C188-E190 PolarHBondContact O-N 2.93Å; C188-W191 PolarHBondContact O-N 3.19Å; C188-L192 WeakPolarHBondContact O-CB 3.39Å; C188-L192 PolarHBondContact O-N 3.28Å
189	V	98.4	Very high	97.4	Very high	7 Å²	7	55.4 Å²	55.4	4%	0.042	26%	0.263	C	S	.	.	H	α-helix	trans	-63.1	-40.3	176.3	173.2	0	0	0	0	111.6	V127 G131 L133 G186 R193	V127-V189 HydrophobicContact CG1-CB 4.41Å; V127-V189 HydrophobicContact CG1-CG1 4.09Å; V127-V189 HydrophobicContact CG1-CG2 3.89Å; G131-V189 WeakPolarHBondContact O-CG1 3.4Å; L133-V189 HydrophobicContact CB-CG2 4Å; L133-V189 HydrophobicContact CD1-CG2 3.91Å; G186-V189 PolarHBondContact O-N 2.87Å; G186-V189 VanDerWaalsContact O-N 3.07Å; V189-R193 HydrophobicContact CG1-CG 4.44Å; V189-R193 WeakPolarHBondContact O-CB 3.38Å; V189-R193 WeakPolarHBondContact O-CG 3.4Å; V189-R193 PolarHBondContact O-N 2.83Å
190	E	98.3	Very high	97.3	Very high	114 Å²	114	55.6 Å²	55.6	53%	0.533	26%	0.262	S	S	.	.	H	α-helix	trans	-63.3	-45.8	177.5	-69.9	178.4	170.1	0	0	112.8	G186 L187 C188 R194	G186-E190 PolarHBondContact O-N 3.14Å; L187-E190 PolarHBondContact O-N 3.16Å; C188-E190 PolarHBondContact O-N 2.93Å; E190-R194 WeakPolarHBondContact O-CB 3.18Å; E190-R194 PolarHBondContact O-N 2.83Å
191	W	98.1	Very high	96.9	Very high	42 Å²	42	62.6 Å²	62.6	16%	0.159	29%	0.294	C	S	.	.	H	α-helix	trans	-70.1	-40.2	178.2	-78.7	99.1	0	0	0	112	M29 Y83 L187 C188 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.15Å; M29-W191 HydrophobicContact SD-CB 4.41Å; Y83-W191 HydrophobicContact CD2-CE3 4.48Å; Y83-W191 AromaticContact CD2-CH2 3.72Å; Y83-W191 HydrophobicContact CD2-CH2 3.72Å; Y83-W191 HydrophobicContact CD2-CZ2 4.48Å; Y83-W191 AromaticContact CD2-CZ3 3.7Å; Y83-W191 HydrophobicContact CD2-CZ3 3.7Å; Y83-W191 HydrophobicContact CE2-CE3 4.19Å; Y83-W191 HydrophobicContact CE2-CH2 4.24Å; Y83-W191 AromaticContact CE2-CZ3 3.82Å; Y83-W191 HydrophobicContact CE2-CZ3 3.82Å; L187-W191 PolarHBondContact O-N 3.4Å; C188-W191 PolarHBondContact O-N 3.19Å; W191-R194 WeakPolarHBondContact O-CB 3.5Å; W191-R194 PolarHBondContact O-N 2.99Å; W191-Y195 HydrophobicContact CB-CE2 4.12Å; W191-Y195 AromaticContact CE3-CE1 3.63Å; W191-Y195 HydrophobicContact CE3-CE1 3.63Å; W191-Y195 AromaticContact CE3-CZ 3.62Å; W191-Y195 HydrophobicContact CZ3-CE1 4.15Å; W191-Y195 VanDerWaalsContact O-CD2 3.28Å; W191-Y195 WeakPolarHBondContact O-CD2 3.16Å; W191-Y195 PolarHBondContact O-N 3.4Å
192	L	98.4	Very high	96.5	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.2	-49.4	173.5	175	52	0	0	0	111.6	H27 M29 V52 V127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.47Å; M29-L192 HydrophobicContact CB-CB 4Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 4.09Å; M29-L192 HydrophobicContact CB-CG 4.25Å; M29-L192 HydrophobicContact CE-CB 4.44Å; V52-L192 HydrophobicContact CG1-CD1 3.59Å; V52-L192 HydrophobicContact CG2-CD1 4.21Å; V127-L192 HydrophobicContact CB-CD2 4.41Å; V127-L192 HydrophobicContact CG1-CD2 4Å; V127-L192 HydrophobicContact CG2-CD2 3.64Å; V127-L192 HydrophobicContact CG2-CG 4.23Å; C188-L192 WeakPolarHBondContact O-CB 3.39Å; C188-L192 PolarHBondContact O-N 3.28Å; L192-R194 VanDerWaalsContact C-N 3.27Å; L192-R194 PolarHBondContact O-N 3.36Å; L192-Y195 PolarHBondContact O-N 2.98Å; L192-Y195 VanDerWaalsContact O-N 3.14Å; L192-L196 HydrophobicContact CD1-CD1 3.74Å; L192-L196 HydrophobicContact CD1-CD2 4.33Å; L192-L196 HydrophobicContact CD1-CG 3.79Å; L192-L196 HydrophobicContact CG-CD1 3.93Å; L192-L196 HydrophobicContact CG-CG 4.43Å; L192-L196 WeakPolarHBondContact O-CB 3.26Å; L192-L196 VanDerWaalsContact O-CG 3.31Å; L192-L196 WeakPolarHBondContact O-CG 3.48Å; L192-L196 PolarHBondContact O-N 3.09Å
193	R	97	Very high	96.2	Very high	119 Å²	119	58.5 Å²	58.5	45%	0.449	27%	0.27	S	S	.	.	H	α-helix	trans	-57.7	-37.9	174.7	-72.5	169.9	-179.5	-177.9	1.9	112.7	G131 V189 K197	G131-R193 VanDerWaalsContact C-NH2 3.35Å; G131-R193 PolarHBondContact O-NE 2.98Å; G131-R193 PolarHBondContact O-NH2 2.99Å; V189-R193 HydrophobicContact CG1-CG 4.44Å; V189-R193 WeakPolarHBondContact O-CB 3.38Å; V189-R193 WeakPolarHBondContact O-CG 3.4Å; V189-R193 PolarHBondContact O-N 2.83Å; R193-K197 WeakPolarHBondContact O-CB 3.44Å; R193-K197 PolarHBondContact O-N 3.06Å; R193-K197 VanDerWaalsContact O-N 3.13Å
194	R	97.1	Very high	95.7	Very high	117 Å²	117	60.9 Å²	60.9	44%	0.442	28%	0.283	S	S	.	.	H	α-helix	trans	-65.9	-45.6	175.4	178.9	176.4	173.4	123.8	-1.2	111.4	E79 E190 W191 L192 K197 N198	E79-R194 IonicContact OE1-CZ 3.65Å; E79-R194 VanDerWaalsContact OE1-CZ 3.28Å; E79-R194 IonicContact OE1-NE 2.74Å; E79-R194 PolarHBondContact OE1-NE 3.02Å; E79-R194 IonicContact OE1-NH2 2.7Å; E79-R194 PolarHBondContact OE1-NH2 3.34Å; E79-R194 IonicContact OE2-CZ 2.77Å; E79-R194 IonicContact OE2-NE 2.78Å; E79-R194 IonicContact OE2-NH2 3.09Å; E79-R194 PolarHBondContact OE2-NH2 2.95Å; E190-R194 WeakPolarHBondContact O-CB 3.18Å; E190-R194 PolarHBondContact O-N 2.83Å; W191-R194 WeakPolarHBondContact O-CB 3.5Å; W191-R194 PolarHBondContact O-N 2.99Å; L192-R194 VanDerWaalsContact C-N 3.27Å; L192-R194 PolarHBondContact O-N 3.36Å; R194-K197 PolarHBondContact O-N 3.14Å; R194-N198 WeakPolarHBondContact O-CB 3.43Å; R194-N198 PolarHBondContact O-N 3.31Å; R194-N198 PolarHBondContact O-OD1 3.33Å
195	Y	97.6	Very high	95.3	Very high	1 Å²	1	65 Å²	65	0%	0.004	30%	0.298	C	S	.	.	H	α-helix	trans	-65.5	-43.9	178.2	-61.4	-28.6	0	0	0	112.5	M29 V52 F57 W75 V76 Y83 W191 L192 K197 N198 G199	M29-Y195 HydrophobicContact SD-CD2 3.79Å; M29-Y195 HydrophobicContact SD-CE2 3.52Å; M29-Y195 VanDerWaalsContact SD-CE2 3.52Å; V52-Y195 HydrophobicContact CG2-CD2 3.75Å; V52-Y195 HydrophobicContact CG2-CG 4.33Å; F57-Y195 HydrophobicContact CD2-CE2 4.42Å; F57-Y195 HydrophobicContact CE1-CE2 4.36Å; F57-Y195 HydrophobicContact CE2-CD2 4.39Å; F57-Y195 AromaticContact CE2-CE2 3.65Å; F57-Y195 HydrophobicContact CE2-CE2 3.65Å; F57-Y195 AromaticContact CE2-CZ 3.84Å; F57-Y195 HydrophobicContact CZ-CD2 4.25Å; F57-Y195 AromaticContact CZ-CE2 3.61Å; F57-Y195 HydrophobicContact CZ-CE2 3.61Å; W75-Y195 HydrophobicContact CE3-CD1 4.24Å; W75-Y195 HydrophobicContact CE3-CG 4.4Å; W75-Y195 HydrophobicContact CH2-CD1 4.5Å; W75-Y195 HydrophobicContact CH2-CD2 4.35Å; W75-Y195 HydrophobicContact CH2-CG 4.01Å; W75-Y195 VanDerWaalsContact CZ3-CB 3.5Å; W75-Y195 AromaticContact CZ3-CD1 3.57Å; W75-Y195 HydrophobicContact CZ3-CD1 3.57Å; W75-Y195 HydrophobicContact CZ3-CD2 4.17Å; W75-Y195 HydrophobicContact CZ3-CE1 4.33Å; W75-Y195 AromaticContact CZ3-CG 3.48Å; W75-Y195 HydrophobicContact CZ3-CG 3.48Å; W75-Y195 VanDerWaalsContact CZ3-CG 3.48Å; V76-Y195 HydrophobicContact CG2-CE1 4.23Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.28Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.16Å; Y83-Y195 PolarHBondContact OH-OH 3.46Å; Y83-Y195 VanDerWaalsContact OH-OH 3.04Å; W191-Y195 HydrophobicContact CB-CE2 4.12Å; W191-Y195 AromaticContact CE3-CE1 3.63Å; W191-Y195 HydrophobicContact CE3-CE1 3.63Å; W191-Y195 AromaticContact CE3-CZ 3.62Å; W191-Y195 HydrophobicContact CZ3-CE1 4.15Å; W191-Y195 VanDerWaalsContact O-CD2 3.28Å; W191-Y195 WeakPolarHBondContact O-CD2 3.16Å; W191-Y195 PolarHBondContact O-N 3.4Å; L192-Y195 PolarHBondContact O-N 2.98Å; L192-Y195 VanDerWaalsContact O-N 3.14Å; Y195-K197 VanDerWaalsContact C-N 3.27Å; Y195-K197 PolarHBondContact O-N 3.33Å; Y195-N198 PolarHBondContact O-N 2.94Å; Y195-N198 VanDerWaalsContact O-N 3.14Å; Y195-G199 PolarHBondContact O-N 3.19Å
196	L	96.1	Very high	95	Very high	11 Å²	11	62.7 Å²	62.7	6%	0.058	29%	0.294	C	S	.	.	H	α-helix	trans	-59.5	-36.6	174.2	-69.3	170.1	0	0	0	112.6	H27 V52 L192 K200 L203	H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 4.05Å; H27-L196 HydrophobicContact CB-CG 4.45Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.42Å; V52-L196 HydrophobicContact CG1-CD2 4Å; L192-L196 HydrophobicContact CD1-CD1 3.74Å; L192-L196 HydrophobicContact CD1-CD2 4.33Å; L192-L196 HydrophobicContact CD1-CG 3.79Å; L192-L196 HydrophobicContact CG-CD1 3.93Å; L192-L196 HydrophobicContact CG-CG 4.43Å; L192-L196 WeakPolarHBondContact O-CB 3.26Å; L192-L196 VanDerWaalsContact O-CG 3.31Å; L192-L196 WeakPolarHBondContact O-CG 3.48Å; L192-L196 PolarHBondContact O-N 3.09Å; L196-K200 WeakPolarHBondContact O-CA 2.99Å; L196-K200 PolarHBondContact O-N 2.92Å; L196-L203 HydrophobicContact CD2-CB 4.06Å; L196-L203 HydrophobicContact CD2-CD1 4.27Å
197	K	95.6	Very high	94.8	Very high	170 Å²	170	64.1 Å²	64.1	74%	0.739	30%	0.295	S	S	*	.	H	α-helix	trans	-69.7	-44.8	172.8	-176.8	-176	176.1	-174	0	112.1	R193 R194 Y195	R193-K197 WeakPolarHBondContact O-CB 3.44Å; R193-K197 PolarHBondContact O-N 3.06Å; R193-K197 VanDerWaalsContact O-N 3.13Å; R194-K197 PolarHBondContact O-N 3.14Å; Y195-K197 VanDerWaalsContact C-N 3.27Å; Y195-K197 PolarHBondContact O-N 3.33Å
198	N	96.1	Very high	94.7	Very high	48 Å²	48	65 Å²	65	26%	0.257	30%	0.296	S	S	.	.	H	α-helix	trans	-69.4	-39	-176.9	-76.9	8.5	0	0	0	112.6	W75 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.48Å; E79-N198 PolarHBondContact OE1-ND2 2.74Å; R194-N198 WeakPolarHBondContact O-CB 3.43Å; R194-N198 PolarHBondContact O-N 3.31Å; R194-N198 PolarHBondContact O-OD1 3.33Å; Y195-N198 PolarHBondContact O-N 2.94Å; Y195-N198 VanDerWaalsContact O-N 3.14Å
199	G	95.1	Very high	94.7	Very high	3 Å²	3	65.3 Å²	65.3	3%	0.031	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	26	-177.4	0	0	0	0	0	113.7	W75 Y195 E201 T202 L203	W75-G199 VanDerWaalsContact CB-CA 3.42Å; W75-G199 VanDerWaalsContact CG-CA 3.43Å; Y195-G199 PolarHBondContact O-N 3.19Å; G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 2.86Å; G199-T202 CarbonylContact O-C 3.47Å; G199-T202 PolarHBondContact O-N 2.82Å; G199-T202 PolarHBondContact O-OG1 2.9Å; G199-L203 WeakPolarHBondContact O-CB 3.46Å; G199-L203 WeakPolarHBondContact O-CG 3.33Å; G199-L203 PolarHBondContact O-N 3.4Å
200	K	92.6	Very high	94.7	Very high	127 Å²	127	71.7 Å²	71.7	55%	0.552	33%	0.326	S	S	*	.	H	α-helix	trans	-49.7	-46.3	-172.4	-179.4	171.9	-177	-175.3	0	113.2	L196 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 2.99Å; L196-K200 PolarHBondContact O-N 2.92Å; K200-T202 PolarHBondContact O-N 2.83Å; K200-T202 VanDerWaalsContact O-N 3.16Å; K200-Q204 VanDerWaalsContact CE-OE1 3.27Å; K200-Q204 HydrophobicContact CG-CB 4.19Å; K200-Q204 HydrophobicContact CG-CG 4.41Å; K200-Q204 WeakPolarHBondContact O-CB 3.44Å; K200-Q204 PolarHBondContact O-N 3.06Å
201	E	89.8	Confident	94.7	Very high	177 Å²	177	67.9 Å²	67.9	83%	0.827	31%	0.31	S	S	*	.	H	α-helix	trans	-67.1	-11.9	-178.6	-59.6	-179.7	169.3	0	0	114	G199 R205	G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 2.86Å; E201-R205 WeakPolarHBondContact O-CD 3.28Å
202	T	89.6	Confident	94.6	Very high	45 Å²	45	69.6 Å²	69.6	28%	0.276	32%	0.32	S	S	.	.	H	α-helix	trans	-115.8	-28.6	-179.9	53.5	0	0	0	0	114.3	W75 G199 K200	W75-T202 PolarHBondContact NE1-OG1 2.87Å; G199-T202 CarbonylContact O-C 3.47Å; G199-T202 PolarHBondContact O-N 2.82Å; G199-T202 PolarHBondContact O-OG1 2.9Å; K200-T202 PolarHBondContact O-N 2.83Å; K200-T202 VanDerWaalsContact O-N 3.16Å
203	L	91.3	Very high	94.6	Very high	5 Å²	5	70.7 Å²	70.7	3%	0.026	33%	0.326	C	S	.	.	H	α-helix	trans	-105.4	-24.3	-173.9	-59.5	172.2	0	0	0	113	H27 V52 T55 W75 L196 G199	H27-L203 PolarHBondContact CE1-O 2.78Å; V52-L203 HydrophobicContact CB-CD1 4.34Å; V52-L203 HydrophobicContact CB-CD2 4.24Å; V52-L203 HydrophobicContact CG1-CD1 3.89Å; V52-L203 HydrophobicContact CG1-CD2 4.11Å; T55-L203 HydrophobicContact CG2-CD2 4.03Å; W75-L203 HydrophobicContact CD2-CD1 4.36Å; W75-L203 HydrophobicContact CH2-CD1 4.3Å; W75-L203 HydrophobicContact CZ2-CD1 3.72Å; W75-L203 HydrophobicContact CZ2-CD2 4.02Å; W75-L203 HydrophobicContact CZ2-CG 4.3Å; L196-L203 HydrophobicContact CD2-CB 4.06Å; L196-L203 HydrophobicContact CD2-CD1 4.27Å; G199-L203 WeakPolarHBondContact O-CB 3.46Å; G199-L203 WeakPolarHBondContact O-CG 3.33Å; G199-L203 PolarHBondContact O-N 3.4Å
204	Q	88.3	Confident	94.6	Very high	94 Å²	94	66.6 Å²	66.6	44%	0.439	32%	0.315	S	S	.	.	S	Bend	trans	-107.6	37.8	175.6	-59.3	-178.5	-1.3	0	0	110.4	K200	K200-Q204 VanDerWaalsContact CE-OE1 3.27Å; K200-Q204 HydrophobicContact CG-CB 4.19Å; K200-Q204 HydrophobicContact CG-CG 4.41Å; K200-Q204 WeakPolarHBondContact O-CB 3.44Å; K200-Q204 PolarHBondContact O-N 3.06Å
205	R	89.3	Confident	94.5	Very high	87 Å²	87	63.5 Å²	63.5	33%	0.328	31%	0.305	S	S	.	.			trans	-117.8	140.7	172.4	82.1	-179.5	-168.3	-133.4	2.2	108.7	E201 E207 Y233	E201-R205 WeakPolarHBondContact O-CD 3.28Å; R205-E207 IonicContact CZ-OE1 3.37Å; R205-E207 IonicContact NE-OE1 3.18Å; R205-E207 PolarHBondContact NE-OE1 3.2Å; R205-E207 IonicContact NH2-OE1 3.12Å; R205-E207 PolarHBondContact NH2-OE1 2.83Å; R205-Y233 HydrophobicContact CG-CD1 4.4Å; R205-Y233 VanDerWaalsContact O-CD1 3.32Å; R205-Y233 WeakPolarHBondContact O-CD1 3.36Å
206	A	92.3	Very high	94.4	Very high	39 Å²	39	67.3 Å²	67.3	32%	0.322	32%	0.323	S	S	.	.			trans	-109.3	127.9	163.6	0	0	0	0	0	108.4	Y233 E288 G289	A206-Y233 CarbonylContact C-O 3.59Å; A206-Y233 WeakPolarHBondContact CA-O 3.3Å; A206-E288 HydrophobicContact CB-CG 4.19Å; A206-G289 VanDerWaalsContact CB-CA 3.47Å
207	E	94.5	Very high	94.3	Very high	54 Å²	54	71.5 Å²	71.5	25%	0.252	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-102	117.9	171.8	-71.4	-177.4	-106.9	0	0	108.9	R205 F232 Y233 H287	R205-E207 IonicContact CZ-OE1 3.37Å; R205-E207 IonicContact NE-OE1 3.18Å; R205-E207 PolarHBondContact NE-OE1 3.2Å; R205-E207 IonicContact NH2-OE1 3.12Å; R205-E207 PolarHBondContact NH2-OE1 2.83Å; E207-F232 WeakPolarHBondContact O-CA 3.48Å; E207-F232 VanDerWaalsContact O-CB 3.24Å; E207-F232 WeakPolarHBondContact O-CB 3.2Å; E207-Y233 PolarHBondContact N-O 2.99Å; E207-Y233 PolarHBondContact O-N 2.79Å; E207-Y233 VanDerWaalsContact O-N 3.16Å; E207-H287 PolarHBondContact N-CE1 2.97Å; E207-H287 PolarHBondContact O-CE1 2.81Å
208	H	95.5	Very high	94.1	Very high	104 Å²	104	67.7 Å²	67.7	48%	0.481	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-66.5	141.3	-178.1	-47.3	-102.3	0	0	0	111.6	K210 G289 L290	H208-K210 PolarHBondContact O-N 3.07Å; H208-G289 PolarHBondContact CE1-O 2.91Å; H208-G289 VanDerWaalsContact ND1-C 3.27Å; H208-G289 PolarHBondContact ND1-O 2.92Å; H208-L290 HydrophobicContact CB-CD2 4.17Å
209	P	97.8	Very high	93.9	Very high	8 Å²	8	68 Å²	68	5%	0.052	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-65	129.3	175.4	27.4	-35.4	0	0	0	112	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.91Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 2.88Å; P209-A229 HydrophobicContact CB-CB 3.8Å; P209-F232 HydrophobicContact CB-CB 3.97Å; P209-F232 HydrophobicContact CB-CD1 3.88Å; P209-F232 HydrophobicContact CB-CG 4.19Å; P209-I237 HydrophobicContact CB-CD1 4.05Å; P209-I237 HydrophobicContact CG-CD1 4.15Å; P209-V285 HydrophobicContact CG-CG1 3.93Å; P209-H287 HydrophobicContact CG-CB 4.15Å; P209-L290 HydrophobicContact CG-CD1 3.87Å; P209-L290 HydrophobicContact CG-CD2 4.4Å; P209-L290 HydrophobicContact CG-CG 4.22Å
210	K	97.9	Very high	93.6	Very high	140 Å²	140	74.9 Å²	74.9	61%	0.609	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	99.2	168	-64.9	155.2	-171.9	147.3	0	107.6	H208 L230	H208-K210 PolarHBondContact O-N 3.07Å; K210-L230 WeakPolarHBondContact CB-O 3.48Å; K210-L230 PolarHBondContact N-O 3.45Å; K210-L230 PolarHBondContact O-N 2.74Å
211	T	97.9	Very high	93.6	Very high	34 Å²	34	75.8 Å²	75.8	21%	0.209	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	143.5	-170.1	56	0	0	0	0	113.9	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.91Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 2.88Å; T211-W228 WeakPolarHBondContact CA-O 3.43Å; T211-A229 HydrophobicContact CG2-CB 4.33Å; T211-V285 HydrophobicContact CG2-CB 4.37Å; T211-V285 HydrophobicContact CG2-CG1 4.1Å; T211-V285 HydrophobicContact CG2-CG2 4.02Å; T211-L294 HydrophobicContact CG2-CD1 4.3Å; T211-L296 VanDerWaalsContact CB-CD1 3.49Å; T211-L296 HydrophobicContact CG2-CD1 4.14Å
212	H	97.2	Very high	93.9	Very high	79 Å²	79	71.9 Å²	71.9	37%	0.366	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	161.3	171.1	63.8	-72.9	0	0	0	111.2	W228	H212-W228 AromaticContact CE1-CD1 3.94Å; H212-W228 AromaticContact CE1-CG 3.73Å; H212-W228 PolarHBondContact N-O 2.81Å; H212-W228 AromaticContact NE2-CD1 3.59Å; H212-W228 AromaticContact NE2-CG 3.84Å; H212-W228 PolarHBondContact O-N 3.24Å
213	V	98.1	Very high	94.2	Very high	22 Å²	22	69.8 Å²	69.8	13%	0.133	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.7	175.5	179.5	0	0	0	0	109.7	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.32Å; V213-L225 HydrophobicContact CG1-CD2 4.38Å; V213-R226 CarbonylContact C-O 3.53Å; V213-R226 WeakPolarHBondContact CA-O 3.25Å; V213-C227 HydrophobicContact CG2-CB 4.33Å; V213-W241 HydrophobicContact CG1-CH2 3.84Å; V213-W241 HydrophobicContact CG1-CZ2 4.26Å; V213-W241 HydrophobicContact CG2-CH2 4.18Å; V213-L296 HydrophobicContact CG2-CB 4.08Å; V213-W298 HydrophobicContact CB-CB 4.48Å; V213-W298 HydrophobicContact CG1-CB 3.85Å
214	T	96.8	Very high	94.5	Very high	34 Å²	34	70.7 Å²	70.7	21%	0.209	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	144.3	170.8	61.4	0	0	0	0	110.8	H216 L225 R226 W228	T214-H216 WeakPolarHBondContact CB-NE2 3.36Å; T214-H216 PolarHBondContact OG1-NE2 2.87Å; T214-L225 WeakPolarHBondContact O-CA 3.5Å; T214-R226 PolarHBondContact N-O 3.15Å; T214-R226 PolarHBondContact O-N 2.87Å; T214-W228 PolarHBondContact OG1-NE1 2.9Å; T214-W228 VanDerWaalsContact OG1-NE1 3.17Å
215	H	95.9	Very high	94.9	Very high	52 Å²	52	66.2 Å²	66.2	24%	0.241	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	130.1	179.5	166	-88.1	0	0	0	109.7	A223 L225 W298	H215-A223 VanDerWaalsContact NE2-CB 3.29Å; H215-A223 WeakPolarHBondContact NE2-CB 3.35Å; H215-L225 HydrophobicContact CB-CD2 3.92Å; H215-W298 HydrophobicContact CB-CD2 3.99Å; H215-W298 HydrophobicContact CB-CG 4.05Å; H215-W298 HydrophobicContact CB-CZ2 4.04Å; H215-W298 AromaticContact CG-CE2 3.76Å; H215-W298 AromaticContact CG-CZ2 3.8Å; H215-W298 AromaticContact ND1-CZ2 3.93Å
216	H	94.9	Very high	95.3	Very high	80 Å²	80	64.2 Å²	64.2	37%	0.37	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	105.9	-177	-52.2	-76.2	0	0	0	109.8	T214 V218 A223 T224	T214-H216 WeakPolarHBondContact CB-NE2 3.36Å; T214-H216 PolarHBondContact OG1-NE2 2.87Å; H216-V218 PolarHBondContact O-N 3.17Å; H216-A223 CarbonylContact O-C 3.58Å; H216-A223 WeakPolarHBondContact O-CA 3.43Å; H216-T224 PolarHBondContact N-O 3.28Å; H216-T224 PolarHBondContact O-N 2.96Å
217	P	93.8	Very high	95.6	Very high	99 Å²	99	62.4 Å²	62.4	64%	0.643	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.8	134.8	173.6	-22.8	32.8	0	0	0	111.3
218	V	91.4	Very high	95.8	Very high	91 Å²	91	62.3 Å²	62.3	55%	0.552	32%	0.318	S	S	*	.			trans	-109.6	-39.7	176.3	-177.7	0	0	0	0	110.2	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.17Å; V218-E222 PolarHBondContact N-O 3.18Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.45Å
219	S	91.9	Very high	96	Very high	53 Å²	53	57.4 Å²	57.4	37%	0.371	30%	0.295	S	S	.	.	S	Bend	trans	-146.2	-177.8	172.2	72.3	0	0	0	0	110.3	H221 E222	S219-H221 PolarHBondContact O-N 3.07Å; S219-H221 PolarHBondContact OG-N 3.21Å; S219-H221 VanDerWaalsContact OG-N 3.09Å; S219-E222 PolarHBondContact N-O 2.89Å; S219-E222 PolarHBondContact OG-N 3.38Å; S219-E222 VanDerWaalsContact OG-N 3.13Å
220	D	89.3	Confident	96	Very high	148 Å²	148	59.7 Å²	59.7	79%	0.791	31%	0.307	S	S	*	.	S	Bend	trans	-64.3	-16	170.3	-63.1	-34.3	0	0	0	112.6	S275	D220-S275 PolarHBondContact O-OG 3.26Å
221	H	92.7	Very high	96	Very high	146 Å²	146	53.6 Å²	53.6	68%	0.676	28%	0.283	S	S	*	.	S	Bend	trans	-110.7	-15.5	-173.8	-54.3	-32.1	0	0	0	113.9	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.07Å; S219-H221 PolarHBondContact OG-N 3.21Å; S219-H221 VanDerWaalsContact OG-N 3.09Å; H221-P274 WeakPolarHBondContact O-CA 3.37Å; H221-S275 WeakPolarHBondContact CA-OG 3.24Å; H221-S275 PolarHBondContact O-N 3.38Å; H221-S275 PolarHBondContact O-OG 3.23Å
222	E	95.1	Very high	96	Very high	95 Å²	95	52 Å²	52	44%	0.444	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	140.7	-170.6	-66.7	175.9	171.2	0	0	112.2	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 3.18Å; S219-E222 PolarHBondContact N-O 2.89Å; S219-E222 PolarHBondContact OG-N 3.38Å; S219-E222 VanDerWaalsContact OG-N 3.13Å; E222-V272 HydrophobicContact CB-CG1 4.06Å; E222-V272 HydrophobicContact CG-CG1 4.27Å; E222-V273 WeakPolarHBondContact CA-O 3.45Å; E222-S275 PolarHBondContact N-OG 2.99Å
223	A	95.8	Very high	95.9	Very high	2 Å²	2	48.4 Å²	48.4	2%	0.017	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	155.4	170	0	0	0	0	0	111.1	H215 H216 V272 V273	H215-A223 VanDerWaalsContact NE2-CB 3.29Å; H215-A223 WeakPolarHBondContact NE2-CB 3.35Å; H216-A223 CarbonylContact O-C 3.58Å; H216-A223 WeakPolarHBondContact O-CA 3.43Å; A223-V272 WeakPolarHBondContact O-CA 3.47Å; A223-V273 HydrophobicContact CB-CG2 4.45Å; A223-V273 PolarHBondContact N-O 3.21Å; A223-V273 PolarHBondContact O-N 2.94Å
224	T	97.4	Very high	95.8	Very high	23 Å²	23	48.3 Å²	48.3	14%	0.141	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	120	167.4	-51.5	0	0	0	0	109.7	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 3.28Å; H216-T224 PolarHBondContact O-N 2.96Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.45Å; T224-A270 HydrophobicContact CG2-CB 3.87Å; T224-V271 WeakPolarHBondContact CA-O 3.27Å
225	L	97.9	Very high	95.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	130.1	161.9	-62.6	-175.4	0	0	0	108.8	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.32Å; V213-L225 HydrophobicContact CG1-CD2 4.38Å; T214-L225 WeakPolarHBondContact O-CA 3.5Å; H215-L225 HydrophobicContact CB-CD2 3.92Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.74Å; L225-W241 HydrophobicContact CD1-CH2 3.9Å; L225-W241 HydrophobicContact CD1-CZ3 4.11Å; L225-W241 HydrophobicContact CG-CH2 4.44Å; L225-A270 CarbonylContact O-C 3.52Å; L225-A270 WeakPolarHBondContact O-CA 3.39Å; L225-A270 WeakPolarHBondContact O-CB 3.41Å; L225-V271 HydrophobicContact CB-CG2 4.23Å; L225-V271 PolarHBondContact N-O 2.92Å; L225-V271 PolarHBondContact O-N 2.77Å; L225-V273 HydrophobicContact CD1-CG1 4.02Å; L225-V273 HydrophobicContact CD1-CG2 4.18Å; L225-V273 HydrophobicContact CG-CG1 4.09Å; L225-V273 HydrophobicContact CG-CG2 3.88Å; L225-E278 HydrophobicContact CD1-CB 4.14Å; L225-E278 HydrophobicContact CD2-CB 4.43Å; L225-E278 HydrophobicContact CD2-CG 4.45Å; L225-W298 HydrophobicContact CD1-CB 4.45Å; L225-W298 HydrophobicContact CD2-CB 3.83Å; L225-W298 HydrophobicContact CD2-CD2 4.42Å; L225-W298 HydrophobicContact CD2-CG 4.03Å
226	R	98.3	Very high	95.8	Very high	46 Å²	46	50.2 Å²	50.2	17%	0.174	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	113.4	175.1	-178.6	174.9	-72.2	102.9	3.3	110.2	V213 T214 W228 E253 W268 A270	V213-R226 CarbonylContact C-O 3.53Å; V213-R226 WeakPolarHBondContact CA-O 3.25Å; T214-R226 PolarHBondContact N-O 3.15Å; T214-R226 PolarHBondContact O-N 2.87Å; R226-W228 VanDerWaalsContact CD-CZ2 3.48Å; R226-W228 HydrophobicContact CG-CZ2 4.38Å; R226-E253 IonicContact NH2-OE2 2.92Å; R226-E253 PolarHBondContact NH2-OE2 3.31Å; R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.01Å; R226-W268 HydrophobicContact CG-CE3 3.77Å; R226-W268 HydrophobicContact CG-CG 4.16Å; R226-A270 HydrophobicContact CB-CB 3.95Å; R226-A270 HydrophobicContact CG-CB 4.08Å
227	C	98.3	Very high	95.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	123.9	173.7	-174.6	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.33Å; C227-W241 HydrophobicContact CB-CH2 4.43Å; C227-W241 HydrophobicContact CB-CZ2 3.6Å; C227-W268 CarbonylContact O-C 3.56Å; C227-W268 WeakPolarHBondContact O-CA 3.26Å; C227-W268 WeakPolarHBondContact O-CB 3.39Å; C227-A269 PolarHBondContact N-O 3.39Å; C227-A269 PolarHBondContact O-N 2.92Å; C227-C283 HydrophobicContact CB-CB 3.47Å; C227-C283 VanDerWaalsContact CB-CB 3.47Å; C227-C283 WeakPolarHBondContact CB-SG 3.3Å; C227-C283 WeakPolarHBondContact SG-CB 3.14Å; C227-C283 CovalentContact SG-SG 2.02Å; C227-C283 PolarHBondContact SG-SG 2.96Å
228	W	98.5	Very high	96	Very high	53 Å²	53	44.3 Å²	44.3	20%	0.201	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	143.2	179.8	-67.2	87.6	0	0	0	111	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.43Å; H212-W228 AromaticContact CE1-CD1 3.94Å; H212-W228 AromaticContact CE1-CG 3.73Å; H212-W228 PolarHBondContact N-O 2.81Å; H212-W228 AromaticContact NE2-CD1 3.59Å; H212-W228 AromaticContact NE2-CG 3.84Å; H212-W228 PolarHBondContact O-N 3.24Å; T214-W228 PolarHBondContact OG1-NE1 2.9Å; T214-W228 VanDerWaalsContact OG1-NE1 3.17Å; R226-W228 VanDerWaalsContact CD-CZ2 3.48Å; R226-W228 HydrophobicContact CG-CZ2 4.38Å; W228-L230 HydrophobicContact CE3-CD2 3.98Å; W228-W268 HydrophobicContact CD2-CB 3.99Å; W228-W268 HydrophobicContact CD2-CG 4.4Å; W228-W268 HydrophobicContact CE3-CB 3.9Å; W228-W268 AromaticContact CE3-CD1 3.72Å; W228-W268 HydrophobicContact CE3-CG 4.09Å; W228-W268 HydrophobicContact CG-CB 4.35Å; W228-W268 AromaticContact CH2-CD1 3.75Å; W228-W268 HydrophobicContact CH2-CG 4.38Å; W228-W268 HydrophobicContact CZ3-CB 4.41Å; W228-W268 AromaticContact CZ3-CD1 3.36Å; W228-W268 HydrophobicContact CZ3-CG 4.09Å
229	A	98.5	Very high	96.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.1	160.2	0	0	0	0	0	108.2	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.8Å; T211-A229 HydrophobicContact CG2-CB 4.33Å; A229-F232 HydrophobicContact CB-CD1 4.04Å; A229-F232 HydrophobicContact CB-CE1 3.72Å; A229-F232 WeakPolarHBondContact O-CE1 3.31Å; A229-I237 HydrophobicContact CB-CD1 3.78Å; A229-L239 HydrophobicContact CB-CD1 3.97Å; A229-L239 HydrophobicContact CB-CD2 4.19Å; A229-Q266 WeakPolarHBondContact O-CA 3.5Å; A229-K267 PolarHBondContact N-O 2.84Å; A229-K267 PolarHBondContact O-N 2.88Å; A229-K267 VanDerWaalsContact O-O 3.04Å
230	L	98.3	Very high	96.6	Very high	56 Å²	56	39.5 Å²	39.5	29%	0.293	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	142.5	-175.3	-60.6	177.4	0	0	0	111.4	K210 W228 Q266	K210-L230 WeakPolarHBondContact CB-O 3.48Å; K210-L230 PolarHBondContact N-O 3.45Å; K210-L230 PolarHBondContact O-N 2.74Å; W228-L230 HydrophobicContact CE3-CD2 3.98Å; L230-Q266 HydrophobicContact CD2-CB 3.62Å
231	G	97.5	Very high	97	Very high	12 Å²	12	32.5 Å²	32.5	12%	0.124	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.6	41	168.4	0	0	0	0	0	113.9	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.3Å; G231-F265 PolarHBondContact N-O 2.87Å
232	F	97.4	Very high	97.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	159.3	178.6	58.3	-91.2	0	0	0	113.1	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.48Å; E207-F232 VanDerWaalsContact O-CB 3.24Å; E207-F232 WeakPolarHBondContact O-CB 3.2Å; P209-F232 HydrophobicContact CB-CB 3.97Å; P209-F232 HydrophobicContact CB-CD1 3.88Å; P209-F232 HydrophobicContact CB-CG 4.19Å; A229-F232 HydrophobicContact CB-CD1 4.04Å; A229-F232 HydrophobicContact CB-CE1 3.72Å; A229-F232 WeakPolarHBondContact O-CE1 3.31Å; F232-P234 WeakPolarHBondContact CD2-O 3.42Å; F232-I237 HydrophobicContact CD1-CD1 3.9Å; F232-I237 HydrophobicContact CD2-CB 4.39Å; F232-I237 HydrophobicContact CD2-CD1 3.94Å; F232-I237 HydrophobicContact CE1-CD1 3.77Å; F232-I237 HydrophobicContact CE2-CB 3.86Å; F232-I237 HydrophobicContact CE2-CD1 3.84Å; F232-I237 HydrophobicContact CE2-CG1 4.44Å; F232-I237 HydrophobicContact CE2-CG2 3.59Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.25Å; F232-I237 HydrophobicContact CZ-CD1 3.78Å; F232-I237 HydrophobicContact CZ-CG2 3.6Å; F232-T257 HydrophobicContact CE2-CG2 4.02Å; F232-T257 HydrophobicContact CZ-CG2 3.92Å; F232-T264 CarbonylContact O-C 3.53Å; F232-T264 WeakPolarHBondContact O-CA 3.48Å; F232-T264 WeakPolarHBondContact O-CB 3.39Å; F232-F265 WeakPolarHBondContact CD1-O 3.45Å; F232-F265 HydrophobicContact CD2-CB 3.89Å; F232-F265 HydrophobicContact CE1-CB 4.41Å; F232-F265 WeakPolarHBondContact CE1-O 3.39Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.75Å; F232-F265 PolarHBondContact N-O 2.87Å; F232-F265 PolarHBondContact O-N 2.91Å; F232-K267 HydrophobicContact CE1-CB 4.42Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; F232-H287 AromaticContact CD2-CD2 3.96Å; F232-H287 AromaticContact CD2-NE2 3.58Å
233	Y	96.1	Very high	97.3	Very high	5 Å²	5	26.6 Å²	26.6	2%	0.02	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-155.8	137.2	174.8	177.6	-82.1	0	0	0	108.4	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.96Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.39Å; T55-Y233 PolarHBondContact OG1-OH 2.79Å; R205-Y233 HydrophobicContact CG-CD1 4.4Å; R205-Y233 VanDerWaalsContact O-CD1 3.32Å; R205-Y233 WeakPolarHBondContact O-CD1 3.36Å; A206-Y233 CarbonylContact C-O 3.59Å; A206-Y233 WeakPolarHBondContact CA-O 3.3Å; E207-Y233 PolarHBondContact N-O 2.99Å; E207-Y233 PolarHBondContact O-N 2.79Å; E207-Y233 VanDerWaalsContact O-N 3.16Å; Y233-G263 WeakPolarHBondContact CD2-O 3.33Å; Y233-F265 HydrophobicContact CD2-CD2 4.49Å; Y233-F265 HydrophobicContact CD2-CE2 4.13Å; Y233-H287 PolarHBondContact O-CE1 3.04Å; Y233-H287 PolarHBondContact O-NE2 3.1Å
234	P	95.6	Very high	97.1	Very high	20 Å²	20	31.5 Å²	31.5	13%	0.13	16%	0.159	C	C	.	.	S	Bend	cis	-66.7	177.3	-0.4	28.9	-36.9	0	0	0	113.1	D54 F232 E236 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.32Å; D54-P234 WeakPolarHBondContact OD2-CB 3.43Å; F232-P234 WeakPolarHBondContact CD2-O 3.42Å; P234-E236 VanDerWaalsContact C-N 3.35Å; P234-H287 WeakPolarHBondContact CA-NE2 3.35Å; P234-H287 VanDerWaalsContact CD-NE2 3.34Å; P234-H287 WeakPolarHBondContact CD-NE2 3.5Å; P234-H287 PolarHBondContact O-NE2 2.6Å; P234-E288 HydrophobicContact CG-CB 4.34Å
235	A	96.8	Very high	96.7	Very high	13 Å²	13	32.5 Å²	32.5	11%	0.107	17%	0.174	C	C	.	.	S	Bend	trans	-73.4	-23	-176.3	0	0	0	0	0	113.9	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.34Å; D54-A235 VanDerWaalsContact CG-CB 3.43Å; D54-A235 WeakPolarHBondContact OD1-CB 3.09Å; D54-A235 WeakPolarHBondContact OD2-CB 3.41Å; D54-A235 PolarHBondContact OD2-N 3.25Å; A235-I237 PolarHBondContact O-N 2.69Å; A235-T257 HydrophobicContact CB-CG2 4.31Å; A235-T257 WeakPolarHBondContact O-CG2 3.26Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.76Å; A235-F265 HydrophobicContact CB-CE2 3.75Å; A235-F265 HydrophobicContact CB-CG 3.7Å; A235-F265 HydrophobicContact CB-CZ 3.8Å
236	E	95.8	Very high	96.6	Very high	112 Å²	112	39 Å²	39	52%	0.523	21%	0.205	S	C	.	.			trans	-67.7	119.9	-179.7	-170.8	49.4	-125.6	0	0	110.4	W23 P234 H287	W23-E236 HydrophobicContact CH2-CB 4.45Å; W23-E236 HydrophobicContact CH2-CG 3.67Å; W23-E236 HydrophobicContact CZ2-CG 3.91Å; W23-E236 HydrophobicContact CZ3-CB 4.37Å; W23-E236 HydrophobicContact CZ3-CG 4.02Å; W23-E236 WeakPolarHBondContact CZ3-O 3.39Å; P234-E236 VanDerWaalsContact C-N 3.35Å; E236-H287 PolarHBondContact O-CD2 3.27Å; E236-H287 VanDerWaalsContact O-CD2 3.3Å
237	I	96.8	Very high	96.3	Very high	6 Å²	6	41.3 Å²	41.3	3%	0.031	22%	0.22	C	C	.	.			trans	-158.1	134.6	-172.8	-163.9	172.5	0	0	0	110.6	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.05Å; P209-I237 HydrophobicContact CG-CD1 4.15Å; A229-I237 HydrophobicContact CB-CD1 3.78Å; F232-I237 HydrophobicContact CD1-CD1 3.9Å; F232-I237 HydrophobicContact CD2-CB 4.39Å; F232-I237 HydrophobicContact CD2-CD1 3.94Å; F232-I237 HydrophobicContact CE1-CD1 3.77Å; F232-I237 HydrophobicContact CE2-CB 3.86Å; F232-I237 HydrophobicContact CE2-CD1 3.84Å; F232-I237 HydrophobicContact CE2-CG1 4.44Å; F232-I237 HydrophobicContact CE2-CG2 3.59Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.25Å; F232-I237 HydrophobicContact CZ-CD1 3.78Å; F232-I237 HydrophobicContact CZ-CG2 3.6Å; A235-I237 PolarHBondContact O-N 2.69Å; I237-L239 HydrophobicContact CD1-CD1 3.72Å; I237-L239 HydrophobicContact CG1-CD1 3.73Å; I237-L239 HydrophobicContact CG2-CD1 4.25Å; I237-K267 HydrophobicContact CG2-CB 4.29Å; I237-K267 HydrophobicContact CG2-CD 3.54Å; I237-V285 HydrophobicContact CD1-CG1 4.09Å; I237-V285 HydrophobicContact CG1-CG1 4.41Å; I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.4Å; I237-H287 HydrophobicContact CD1-CB 4.26Å; I237-H287 HydrophobicContact CG1-CB 4.05Å
238	T	97.3	Very high	96.1	Very high	49 Å²	49	42.9 Å²	42.9	30%	0.301	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.1	173.7	-67.2	0	0	0	0	110.1	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4Å; T238-V285 WeakPolarHBondContact O-CA 3.49Å; T238-Q286 PolarHBondContact N-O 3.38Å; T238-Q286 PolarHBondContact O-N 3.13Å
239	L	97.8	Very high	95.6	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.3	169.1	-89.5	62.4	0	0	0	107.8	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 3.97Å; A229-L239 HydrophobicContact CB-CD2 4.19Å; I237-L239 HydrophobicContact CD1-CD1 3.72Å; I237-L239 HydrophobicContact CG1-CD1 3.73Å; I237-L239 HydrophobicContact CG2-CD1 4.25Å; L239-L254 HydrophobicContact CB-CD1 4.13Å; L239-K267 HydrophobicContact CD1-CD 4.33Å; L239-K267 HydrophobicContact CD2-CB 4.32Å; L239-K267 HydrophobicContact CD2-CG 4.41Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.34Å; L239-H284 WeakPolarHBondContact CA-O 3.38Å; L239-V285 HydrophobicContact CD1-CG1 3.98Å; L239-V285 HydrophobicContact CD1-CG2 4.43Å; L239-V285 HydrophobicContact CG-CG2 4.27Å
240	T	97.4	Very high	95.1	Very high	38 Å²	38	54.4 Å²	54.4	23%	0.233	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	152.1	175.5	51.6	0	0	0	0	111.3	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4Å; T240-C283 CarbonylContact O-C 3.59Å; T240-C283 WeakPolarHBondContact O-CA 3.35Å; T240-H284 PolarHBondContact N-O 3Å; T240-H284 PolarHBondContact O-N 3.31Å
241	W	98	Very high	94.6	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.008	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	139.3	169	-82.6	105	0	0	0	110.1	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.84Å; V213-W241 HydrophobicContact CG1-CZ2 4.26Å; V213-W241 HydrophobicContact CG2-CH2 4.18Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.74Å; L225-W241 HydrophobicContact CD1-CH2 3.9Å; L225-W241 HydrophobicContact CD1-CZ3 4.11Å; L225-W241 HydrophobicContact CG-CH2 4.44Å; C227-W241 HydrophobicContact CB-CH2 4.43Å; C227-W241 HydrophobicContact CB-CZ2 3.6Å; W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 3.04Å; W241-A269 PolarHBondContact NE1-O 2.97Å; W241-V271 HydrophobicContact CB-CG1 3.79Å; W241-V271 HydrophobicContact CB-CG2 4.45Å; W241-V271 HydrophobicContact CD2-CG1 4.47Å; W241-V271 HydrophobicContact CD2-CG2 3.69Å; W241-V271 HydrophobicContact CE3-CG2 4.12Å; W241-V271 HydrophobicContact CG-CB 4.46Å; W241-V271 HydrophobicContact CG-CG1 3.74Å; W241-V271 HydrophobicContact CG-CG2 3.85Å; W241-V271 HydrophobicContact CZ2-CG2 4.31Å; W241-T282 CarbonylContact C-O 3.58Å; W241-T282 WeakPolarHBondContact CA-O 3.4Å; W241-C283 HydrophobicContact CD2-CB 4.06Å; W241-C283 HydrophobicContact CE3-CB 4Å; W241-C283 HydrophobicContact CH2-CB 4.01Å; W241-C283 HydrophobicContact CZ2-CB 4.08Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å
242	Q	97.4	Very high	94.4	Very high	42 Å²	42	58 Å²	58	20%	0.196	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	143.8	173.3	-72.6	-176.8	-8.1	0	0	110.9	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.6Å; Q242-E246 VanDerWaalsContact CA-O 3.26Å; Q242-E246 WeakPolarHBondContact CA-O 3.43Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.43Å; Q242-D247 PolarHBondContact NE2-OD1 2.67Å; Q242-Y281 CarbonylContact O-C 3.53Å; Q242-Y281 VanDerWaalsContact O-CA 3.3Å; Q242-Y281 WeakPolarHBondContact O-CA 3.42Å; Q242-T282 PolarHBondContact N-O 2.98Å; Q242-T282 PolarHBondContact O-N 2.75Å; Q242-T282 PolarHBondContact O-OG1 3.05Å; Q242-H284 PolarHBondContact OE1-NE2 2.92Å
243	W	95.5	Very high	94.4	Very high	75 Å²	75	63.2 Å²	63.2	28%	0.284	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	114.6	171.4	175.9	82.5	0	0	0	108.2	G245 E246 Q248 E277 R280 Y281	W243-G245 PolarHBondContact O-N 2.86Å; W243-E246 PolarHBondContact N-O 3.18Å; W243-E246 PolarHBondContact O-N 3.08Å; W243-Q248 HydrophobicContact CB-CG 3.98Å; W243-E277 PolarHBondContact NE1-OE2 3.42Å; W243-E277 VanDerWaalsContact NE1-OE2 3.13Å; W243-R280 VanDerWaalsContact CE2-CZ 3.41Å; W243-R280 VanDerWaalsContact CZ2-CZ 3.4Å; W243-Y281 HydrophobicContact CB-CD1 4.13Å; W243-Y281 HydrophobicContact CB-CE1 3.92Å; W243-Y281 AromaticContact CD1-CD2 3.95Å; W243-Y281 AromaticContact CD1-CE1 3.81Å; W243-Y281 AromaticContact CD1-CE2 3.46Å; W243-Y281 VanDerWaalsContact CD1-CE2 3.46Å; W243-Y281 AromaticContact CD1-CZ 3.39Å; W243-Y281 HydrophobicContact CG-CE1 4.17Å; W243-Y281 AromaticContact NE1-CE2 4Å
244	D	92.9	Very high	94.5	Very high	104 Å²	104	67.3 Å²	67.3	56%	0.556	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	19	-171.5	-68.6	-21	0	0	0	115.9	R280	D244-R280 PolarHBondContact N-O 2.87Å; D244-R280 VanDerWaalsContact N-O 3.08Å; D244-R280 WeakPolarHBondContact OD1-CB 3.19Å; D244-R280 IonicContact OD1-NE 3.72Å; D244-R280 IonicContact OD2-CZ 3.16Å; D244-R280 IonicContact OD2-NE 2.81Å; D244-R280 PolarHBondContact OD2-NE 3.47Å; D244-R280 IonicContact OD2-NH2 2.68Å; D244-R280 PolarHBondContact OD2-NH2 3.38Å
245	G	89.7	Confident	94.5	Very high	44 Å²	44	68.1 Å²	68.1	45%	0.454	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.8	-1.8	-179.9	0	0	0	0	0	115.6	W243	W243-G245 PolarHBondContact O-N 2.86Å
246	E	93.8	Very high	94.5	Very high	137 Å²	137	75.8 Å²	75.8	64%	0.64	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.4	176.4	-61.4	-168.8	160.7	0	0	111.6	Q242 W243 Q248	Q242-E246 CarbonylContact C-O 3.6Å; Q242-E246 VanDerWaalsContact CA-O 3.26Å; Q242-E246 WeakPolarHBondContact CA-O 3.43Å; W243-E246 PolarHBondContact N-O 3.18Å; W243-E246 PolarHBondContact O-N 3.08Å; E246-Q248 PolarHBondContact O-N 3.21Å; E246-Q248 PolarHBondContact O-NE2 2.89Å
247	D	93.6	Very high	94.6	Very high	94 Å²	94	72.6 Å²	72.6	50%	0.503	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	126.4	-176	-66.6	-43.5	0	0	0	112.9	Q242 T249	Q242-D247 WeakPolarHBondContact CG-OD1 3.43Å; Q242-D247 PolarHBondContact NE2-OD1 2.67Å; D247-T249 VanDerWaalsContact C-N 3.34Å; D247-T249 PolarHBondContact O-N 2.78Å
248	Q	93.8	Very high	94.7	Very high	34 Å²	34	77.1 Å²	77.1	16%	0.159	40%	0.398	C	S	.	.			trans	-95.2	36.9	-174.7	-56.2	-61.8	-76.2	0	0	112.6	W241 W243 E246 Q250 D251 T252 V271 Y281	W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 3.04Å; W243-Q248 HydrophobicContact CB-CG 3.98Å; E246-Q248 PolarHBondContact O-N 3.21Å; E246-Q248 PolarHBondContact O-NE2 2.89Å; Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 3.15Å; Q248-D251 PolarHBondContact O-N 3.31Å; Q248-T252 WeakPolarHBondContact O-CB 3.19Å; Q248-T252 PolarHBondContact O-N 2.81Å; Q248-T252 VanDerWaalsContact O-N 3.13Å; Q248-T252 PolarHBondContact O-OG1 2.91Å; Q248-V271 HydrophobicContact CB-CG1 4.42Å; Q248-Y281 HydrophobicContact CG-CE1 4.35Å
249	T	87.8	Confident	94.7	Very high	105 Å²	105	79 Å²	79	64%	0.644	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-28	-165.2	-46	0	0	0	0	114.6	D247	D247-T249 VanDerWaalsContact C-N 3.34Å; D247-T249 PolarHBondContact O-N 2.78Å
250	Q	88.2	Confident	94.6	Very high	189 Å²	189	81.1 Å²	81.1	88%	0.883	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-32.6	-179.9	-62.3	-172.6	21.5	0	0	112.5	Q248	Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 3.15Å
251	D	87.1	Confident	94.4	Very high	120 Å²	120	82.9 Å²	82.9	64%	0.642	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	3.5	-177.4	-50.7	-82.5	0	0	0	112.7	Q248	Q248-D251 PolarHBondContact O-N 3.31Å
252	T	94.6	Very high	94.2	Very high	23 Å²	23	88.2 Å²	88.2	14%	0.141	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	117.1	177.5	-62.7	0	0	0	0	111.9	Q248 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 3.19Å; Q248-T252 PolarHBondContact O-N 2.81Å; Q248-T252 VanDerWaalsContact O-N 3.13Å; Q248-T252 PolarHBondContact O-OG1 2.91Å; T252-L254 HydrophobicContact CG2-CB 4.27Å; T252-L254 PolarHBondContact O-N 3.31Å; T252-L254 VanDerWaalsContact O-N 3.12Å; T252-A269 HydrophobicContact CG2-CB 3.88Å; T252-A270 CarbonylContact C-O 3.6Å; T252-A270 WeakPolarHBondContact CA-O 3.3Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.34Å
253	E	96.8	Very high	93.9	Very high	111 Å²	111	88.3 Å²	88.3	52%	0.519	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	96.7	162.6	-174.9	-171.6	-155.8	0	0	109.2	R226 W268 A269 A270	R226-E253 IonicContact NH2-OE2 2.92Å; R226-E253 PolarHBondContact NH2-OE2 3.31Å; E253-W268 HydrophobicContact CB-CZ3 4.29Å; E253-W268 HydrophobicContact CG-CH2 3.97Å; E253-W268 HydrophobicContact CG-CZ3 3.78Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.43Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.37Å; E253-A269 CarbonylContact O-C 3.55Å; E253-A269 WeakPolarHBondContact O-CA 3.48Å; E253-A270 HydrophobicContact CB-CB 4.35Å; E253-A270 PolarHBondContact N-O 3.05Å; E253-A270 PolarHBondContact O-N 3.13Å
254	L	96.9	Very high	94	Very high	91 Å²	91	85 Å²	85	48%	0.476	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	120.2	177.3	-175	69.6	0	0	0	110.5	L239 T252 A269	L239-L254 HydrophobicContact CB-CD1 4.13Å; T252-L254 HydrophobicContact CG2-CB 4.27Å; T252-L254 PolarHBondContact O-N 3.31Å; T252-L254 VanDerWaalsContact O-N 3.12Å; L254-A269 HydrophobicContact CD1-CB 3.7Å
255	V	96.8	Very high	94.2	Very high	36 Å²	36	81.4 Å²	81.4	22%	0.218	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-85.4	153.6	175.5	-63.3	0	0	0	0	112.8	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.47Å; V255-K267 WeakPolarHBondContact O-CE 3.05Å; V255-K267 WeakPolarHBondContact O-CG 3.46Å; V255-K267 PolarHBondContact O-NZ 3.49Å; V255-W268 HydrophobicContact CG1-CD2 4.04Å; V255-W268 HydrophobicContact CG1-CE3 4.3Å; V255-W268 HydrophobicContact CG1-CH2 3.74Å; V255-W268 HydrophobicContact CG1-CZ2 3.41Å; V255-W268 VanDerWaalsContact CG1-CZ2 3.41Å; V255-W268 HydrophobicContact CG1-CZ3 4.16Å; V255-W268 HydrophobicContact CG2-CD2 3.86Å; V255-W268 HydrophobicContact CG2-CG 3.81Å; V255-W268 WeakPolarHBondContact CG2-O 3.36Å; V255-W268 PolarHBondContact N-O 2.97Å
256	E	96.9	Very high	94.6	Very high	175 Å²	175	81.3 Å²	81.3	82%	0.818	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-54.3	147.4	165.9	-66.5	-175.9	164.6	0	0	111.2	R258	E256-R258 PolarHBondContact O-N 3.04Å
257	T	97.9	Very high	94.9	Very high	45 Å²	45	75.8 Å²	75.8	28%	0.276	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-70.7	127.2	174.5	-53.4	0	0	0	0	108.3	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.02Å; F232-T257 HydrophobicContact CZ-CG2 3.92Å; A235-T257 HydrophobicContact CB-CG2 4.31Å; A235-T257 WeakPolarHBondContact O-CG2 3.26Å; T257-F265 HydrophobicContact CG2-CB 3.91Å; T257-F265 HydrophobicContact CG2-CD1 4.05Å; T257-F265 HydrophobicContact CG2-CG 4.28Å; T257-K267 WeakPolarHBondContact OG1-CD 3.21Å; T257-K267 PolarHBondContact OG1-NZ 2.84Å
258	R	97.5	Very high	95.1	Very high	100 Å²	100	72.5 Å²	72.5	38%	0.377	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	146.2	-175.4	70.6	-164.2	-176.2	-167.6	2.3	111.2	E256 Q266	E256-R258 PolarHBondContact O-N 3.04Å; R258-Q266 HydrophobicContact CG-CG 3.68Å; R258-Q266 PolarHBondContact N-O 2.89Å; R258-Q266 VanDerWaalsContact NE-CD 3.26Å; R258-Q266 VanDerWaalsContact O-CG 3.26Å; R258-Q266 WeakPolarHBondContact O-CG 3.45Å; R258-Q266 PolarHBondContact O-N 2.73Å
259	P	97.4	Very high	95.3	Very high	88 Å²	88	70.9 Å²	70.9	57%	0.571	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	152.6	177	27.7	-34.6	0	0	0	111.7	F265 Q266	P259-F265 HydrophobicContact CB-CD1 4.39Å; P259-F265 HydrophobicContact CB-CE1 4.14Å; P259-Q266 PolarHBondContact O-NE2 2.88Å
260	A	96.7	Very high	95.8	Very high	50 Å²	50	66 Å²	66	41%	0.413	37%	0.368	S	S	.	.			trans	-90.4	-22.4	169.1	0	0	0	0	0	112.5	T264 Q266	A260-T264 WeakPolarHBondContact CB-O 3.28Å; A260-T264 PolarHBondContact N-O 2.98Å; A260-Q266 HydrophobicContact CB-CG 4.48Å
261	G	93.4	Very high	96.2	Very high	76 Å²	76	57.1 Å²	57.1	78%	0.784	33%	0.327	S	S	*	.	S	Bend	trans	99.6	-6.8	178.1	0	0	0	0	0	115.1
262	D	92.9	Very high	96.7	Very high	114 Å²	114	55.3 Å²	55.3	61%	0.61	32%	0.32	S	S	*	.	S	Bend	trans	-98.8	2.8	174.6	57.1	7.4	0	0	0	113.5	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.41Å; D262-T264 PolarHBondContact OD1-N 2.94Å; D262-T264 PolarHBondContact OD1-OG1 3.05Å; D262-T264 PolarHBondContact OD2-OG1 2.86Å
263	G	91.9	Very high	96.8	Very high	43 Å²	43	54.3 Å²	54.3	44%	0.443	31%	0.314	S	S	.	.	S	Bend	trans	101.7	-10.3	-171.9	0	0	0	0	0	113.9	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.33Å
264	T	96.6	Very high	96.7	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.043	31%	0.306	C	S	.	.			trans	-99	172.1	176.5	74.2	0	0	0	0	112.8	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.3Å; F232-T264 CarbonylContact O-C 3.53Å; F232-T264 WeakPolarHBondContact O-CA 3.48Å; F232-T264 WeakPolarHBondContact O-CB 3.39Å; A260-T264 WeakPolarHBondContact CB-O 3.28Å; A260-T264 PolarHBondContact N-O 2.98Å; D262-T264 WeakPolarHBondContact OD1-CB 3.41Å; D262-T264 PolarHBondContact OD1-N 2.94Å; D262-T264 PolarHBondContact OD1-OG1 3.05Å; D262-T264 PolarHBondContact OD2-OG1 2.86Å
265	F	98.2	Very high	96.5	Very high	27 Å²	27	50.1 Å²	50.1	12%	0.118	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	164.5	-176.7	-66.6	-86.9	0	0	0	112.6	D54 G231 F232 Y233 A235 T257 P259	D54-F265 HydrophobicContact CB-CE2 3.71Å; D54-F265 HydrophobicContact CB-CZ 3.77Å; G231-F265 PolarHBondContact N-O 2.87Å; F232-F265 WeakPolarHBondContact CD1-O 3.45Å; F232-F265 HydrophobicContact CD2-CB 3.89Å; F232-F265 HydrophobicContact CE1-CB 4.41Å; F232-F265 WeakPolarHBondContact CE1-O 3.39Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.75Å; F232-F265 PolarHBondContact N-O 2.87Å; F232-F265 PolarHBondContact O-N 2.91Å; Y233-F265 HydrophobicContact CD2-CD2 4.49Å; Y233-F265 HydrophobicContact CD2-CE2 4.13Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.76Å; A235-F265 HydrophobicContact CB-CE2 3.75Å; A235-F265 HydrophobicContact CB-CG 3.7Å; A235-F265 HydrophobicContact CB-CZ 3.8Å; T257-F265 HydrophobicContact CG2-CB 3.91Å; T257-F265 HydrophobicContact CG2-CD1 4.05Å; T257-F265 HydrophobicContact CG2-CG 4.28Å; P259-F265 HydrophobicContact CB-CD1 4.39Å; P259-F265 HydrophobicContact CB-CE1 4.14Å
266	Q	98.3	Very high	96.2	Very high	42 Å²	42	51.4 Å²	51.4	20%	0.196	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	143.7	178.3	38.6	161.7	-25.6	0	0	110	A229 L230 R258 P259 A260	A229-Q266 WeakPolarHBondContact O-CA 3.5Å; L230-Q266 HydrophobicContact CD2-CB 3.62Å; R258-Q266 HydrophobicContact CG-CG 3.68Å; R258-Q266 PolarHBondContact N-O 2.89Å; R258-Q266 VanDerWaalsContact NE-CD 3.26Å; R258-Q266 VanDerWaalsContact O-CG 3.26Å; R258-Q266 WeakPolarHBondContact O-CG 3.45Å; R258-Q266 PolarHBondContact O-N 2.73Å; P259-Q266 PolarHBondContact O-NE2 2.88Å; A260-Q266 HydrophobicContact CB-CG 4.48Å
267	K	98.6	Very high	96.1	Very high	22 Å²	22	46 Å²	46	10%	0.096	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	158.3	177.8	-160.9	-177.2	-170.3	66.2	0	109.2	A229 F232 I237 L239 V255 T257	A229-K267 PolarHBondContact N-O 2.84Å; A229-K267 PolarHBondContact O-N 2.88Å; A229-K267 VanDerWaalsContact O-O 3.04Å; F232-K267 HydrophobicContact CE1-CB 4.42Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; I237-K267 HydrophobicContact CG2-CB 4.29Å; I237-K267 HydrophobicContact CG2-CD 3.54Å; L239-K267 HydrophobicContact CD1-CD 4.33Å; L239-K267 HydrophobicContact CD2-CB 4.32Å; L239-K267 HydrophobicContact CD2-CG 4.41Å; V255-K267 HydrophobicContact CG2-CG 4.47Å; V255-K267 WeakPolarHBondContact O-CE 3.05Å; V255-K267 WeakPolarHBondContact O-CG 3.46Å; V255-K267 PolarHBondContact O-NZ 3.49Å; T257-K267 WeakPolarHBondContact OG1-CD 3.21Å; T257-K267 PolarHBondContact OG1-NZ 2.84Å
268	W	98.4	Very high	95.9	Very high	25 Å²	25	45 Å²	45	10%	0.095	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	158.2	167.5	56.9	-96.3	0	0	0	111.8	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.01Å; R226-W268 HydrophobicContact CG-CE3 3.77Å; R226-W268 HydrophobicContact CG-CG 4.16Å; C227-W268 CarbonylContact O-C 3.56Å; C227-W268 WeakPolarHBondContact O-CA 3.26Å; C227-W268 WeakPolarHBondContact O-CB 3.39Å; W228-W268 HydrophobicContact CD2-CB 3.99Å; W228-W268 HydrophobicContact CD2-CG 4.4Å; W228-W268 HydrophobicContact CE3-CB 3.9Å; W228-W268 AromaticContact CE3-CD1 3.72Å; W228-W268 HydrophobicContact CE3-CG 4.09Å; W228-W268 HydrophobicContact CG-CB 4.35Å; W228-W268 AromaticContact CH2-CD1 3.75Å; W228-W268 HydrophobicContact CH2-CG 4.38Å; W228-W268 HydrophobicContact CZ3-CB 4.41Å; W228-W268 AromaticContact CZ3-CD1 3.36Å; W228-W268 HydrophobicContact CZ3-CG 4.09Å; E253-W268 HydrophobicContact CB-CZ3 4.29Å; E253-W268 HydrophobicContact CG-CH2 3.97Å; E253-W268 HydrophobicContact CG-CZ3 3.78Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.43Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.37Å; V255-W268 HydrophobicContact CG1-CD2 4.04Å; V255-W268 HydrophobicContact CG1-CE3 4.3Å; V255-W268 HydrophobicContact CG1-CH2 3.74Å; V255-W268 HydrophobicContact CG1-CZ2 3.41Å; V255-W268 VanDerWaalsContact CG1-CZ2 3.41Å; V255-W268 HydrophobicContact CG1-CZ3 4.16Å; V255-W268 HydrophobicContact CG2-CD2 3.86Å; V255-W268 HydrophobicContact CG2-CG 3.81Å; V255-W268 WeakPolarHBondContact CG2-O 3.36Å; V255-W268 PolarHBondContact N-O 2.97Å; W268-A270 HydrophobicContact CE3-CB 3.95Å; W268-A270 HydrophobicContact CZ3-CB 3.7Å
269	A	98.3	Very high	95.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131.2	174.2	0	0	0	0	0	108.2	C227 L239 W241 T252 E253 L254	C227-A269 PolarHBondContact N-O 3.39Å; C227-A269 PolarHBondContact O-N 2.92Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.34Å; W241-A269 PolarHBondContact NE1-O 2.97Å; T252-A269 HydrophobicContact CG2-CB 3.88Å; E253-A269 CarbonylContact O-C 3.55Å; E253-A269 WeakPolarHBondContact O-CA 3.48Å; L254-A269 HydrophobicContact CD1-CB 3.7Å
270	A	97.9	Very high	95.7	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.008	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.3	178.8	0	0	0	0	0	112.5	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.87Å; L225-A270 CarbonylContact O-C 3.52Å; L225-A270 WeakPolarHBondContact O-CA 3.39Å; L225-A270 WeakPolarHBondContact O-CB 3.41Å; R226-A270 HydrophobicContact CB-CB 3.95Å; R226-A270 HydrophobicContact CG-CB 4.08Å; T252-A270 CarbonylContact C-O 3.6Å; T252-A270 WeakPolarHBondContact CA-O 3.3Å; E253-A270 HydrophobicContact CB-CB 4.35Å; E253-A270 PolarHBondContact N-O 3.05Å; E253-A270 PolarHBondContact O-N 3.13Å; W268-A270 HydrophobicContact CE3-CB 3.95Å; W268-A270 HydrophobicContact CZ3-CB 3.7Å
271	V	97.6	Very high	95.7	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.024	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	146.1	173.9	-74.7	0	0	0	0	109.4	T224 L225 W241 Q248 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.27Å; L225-V271 HydrophobicContact CB-CG2 4.23Å; L225-V271 PolarHBondContact N-O 2.92Å; L225-V271 PolarHBondContact O-N 2.77Å; W241-V271 HydrophobicContact CB-CG1 3.79Å; W241-V271 HydrophobicContact CB-CG2 4.45Å; W241-V271 HydrophobicContact CD2-CG1 4.47Å; W241-V271 HydrophobicContact CD2-CG2 3.69Å; W241-V271 HydrophobicContact CE3-CG2 4.12Å; W241-V271 HydrophobicContact CG-CB 4.46Å; W241-V271 HydrophobicContact CG-CG1 3.74Å; W241-V271 HydrophobicContact CG-CG2 3.85Å; W241-V271 HydrophobicContact CZ2-CG2 4.31Å; Q248-V271 HydrophobicContact CB-CG1 4.42Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.34Å; V271-V273 HydrophobicContact CB-CG1 4.37Å; V271-V273 HydrophobicContact CG2-CG1 3.75Å; V271-Y281 HydrophobicContact CG2-CD1 4.13Å
272	V	97.1	Very high	95.9	Very high	81 Å²	81	39.3 Å²	39.3	49%	0.491	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	132	165.6	-177.1	0	0	0	0	107.8	E222 A223	E222-V272 HydrophobicContact CB-CG1 4.06Å; E222-V272 HydrophobicContact CG-CG1 4.27Å; A223-V272 WeakPolarHBondContact O-CA 3.47Å
273	V	96.1	Very high	96.1	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	146.1	-175.5	-51.3	0	0	0	0	110.6	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.45Å; A223-V273 HydrophobicContact CB-CG2 4.45Å; A223-V273 PolarHBondContact N-O 3.21Å; A223-V273 PolarHBondContact O-N 2.94Å; L225-V273 HydrophobicContact CD1-CG1 4.02Å; L225-V273 HydrophobicContact CD1-CG2 4.18Å; L225-V273 HydrophobicContact CG-CG1 4.09Å; L225-V273 HydrophobicContact CG-CG2 3.88Å; V271-V273 HydrophobicContact CB-CG1 4.37Å; V271-V273 HydrophobicContact CG2-CG1 3.75Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; V273-Y281 HydrophobicContact CB-CD2 3.86Å; V273-Y281 HydrophobicContact CB-CE2 3.54Å; V273-Y281 HydrophobicContact CG1-CD1 3.85Å; V273-Y281 HydrophobicContact CG1-CD2 3.5Å; V273-Y281 HydrophobicContact CG1-CE1 3.81Å; V273-Y281 HydrophobicContact CG1-CE2 3.47Å; V273-Y281 VanDerWaalsContact CG1-CE2 3.47Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å
274	P	95.8	Very high	96.4	Very high	54 Å²	54	33.3 Å²	33.3	35%	0.351	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	141.4	171.9	-20.1	32.4	0	0	0	112.2	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.37Å; P274-G276 PolarHBondContact O-N 3.48Å; P274-E277 HydrophobicContact CB-CB 4.28Å; P274-E277 HydrophobicContact CB-CG 4.18Å; P274-E277 HydrophobicContact CG-CB 4.49Å; P274-E277 HydrophobicContact CG-CG 4.48Å; P274-E277 PolarHBondContact O-N 3.19Å
275	S	91.8	Very high	96.5	Very high	60 Å²	60	33 Å²	33	42%	0.42	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	121.1	173.6	-64.7	0	0	0	0	111.3	D220 H221 E222	D220-S275 PolarHBondContact O-OG 3.26Å; H221-S275 WeakPolarHBondContact CA-OG 3.24Å; H221-S275 PolarHBondContact O-N 3.38Å; H221-S275 PolarHBondContact O-OG 3.23Å; E222-S275 PolarHBondContact N-OG 2.99Å
276	G	90.9	Very high	96.4	Very high	64 Å²	64	35.2 Å²	35.2	66%	0.66	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.5	-5.3	-178	0	0	0	0	0	115.6	P274 E278	P274-G276 PolarHBondContact O-N 3.48Å; G276-E278 VanDerWaalsContact C-OE2 3.22Å; G276-E278 WeakPolarHBondContact CA-OE2 3.42Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.13Å; G276-E278 PolarHBondContact N-OE2 2.94Å
277	E	94.4	Very high	96.3	Very high	61 Å²	61	33.7 Å²	33.7	29%	0.285	19%	0.187	S	C	.	.			trans	-97	1	174.3	-71.1	-153.8	-155.5	0	0	113.9	W243 P274 Q279 R280 Y281	W243-E277 PolarHBondContact NE1-OE2 3.42Å; W243-E277 VanDerWaalsContact NE1-OE2 3.13Å; P274-E277 HydrophobicContact CB-CB 4.28Å; P274-E277 HydrophobicContact CB-CG 4.18Å; P274-E277 HydrophobicContact CG-CB 4.49Å; P274-E277 HydrophobicContact CG-CG 4.48Å; P274-E277 PolarHBondContact O-N 3.19Å; E277-Q279 PolarHBondContact O-N 3.36Å; E277-R280 WeakPolarHBondContact O-CB 3.4Å; E277-R280 PolarHBondContact O-N 3.19Å; E277-R280 IonicContact OE1-NH1 3.65Å; E277-R280 WeakPolarHBondContact OE2-CD 3.26Å; E277-R280 IonicContact OE2-CZ 3.54Å; E277-R280 IonicContact OE2-NE 3.81Å; E277-R280 IonicContact OE2-NH1 2.68Å; E277-R280 PolarHBondContact OE2-NH1 3.16Å; E277-Y281 HydrophobicContact CB-CE2 4.31Å; E277-Y281 WeakPolarHBondContact O-CD2 3.2Å
278	E	94.3	Very high	96	Very high	23 Å²	23	35.9 Å²	35.9	11%	0.107	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-26.7	-168.8	-50.4	83.8	179	0	0	113.4	L225 V273 G276 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.14Å; L225-E278 HydrophobicContact CD2-CB 4.43Å; L225-E278 HydrophobicContact CD2-CG 4.45Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; G276-E278 VanDerWaalsContact C-OE2 3.22Å; G276-E278 WeakPolarHBondContact CA-OE2 3.42Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.13Å; G276-E278 PolarHBondContact N-OE2 2.94Å; E278-Y281 PolarHBondContact O-N 2.9Å; E278-W298 HydrophobicContact CB-CE3 3.5Å; E278-W298 VanDerWaalsContact CB-CE3 3.5Å; E278-W298 HydrophobicContact CB-CZ3 3.93Å; E278-W298 HydrophobicContact CG-CE3 3.8Å; E278-W298 HydrophobicContact CG-CZ3 3.82Å
279	Q	94.3	Very high	95.7	Very high	86 Å²	86	35.3 Å²	35.3	40%	0.402	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-14.5	179.2	-62.2	-58.1	-46.9	0	0	114.3	E277 R297 W298	E277-Q279 PolarHBondContact O-N 3.36Å; Q279-R297 VanDerWaalsContact O-CZ 3.3Å; Q279-R297 PolarHBondContact O-NE 3.36Å; Q279-R297 VanDerWaalsContact O-NE 3.15Å; Q279-W298 PolarHBondContact NE2-O 2.98Å
280	R	95.8	Very high	95.4	Very high	78 Å²	78	36.4 Å²	36.4	29%	0.294	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-25	172	-59.6	178.6	71.8	-166.3	-2.4	111.7	W243 D244 E277	W243-R280 VanDerWaalsContact CE2-CZ 3.41Å; W243-R280 VanDerWaalsContact CZ2-CZ 3.4Å; D244-R280 PolarHBondContact N-O 2.87Å; D244-R280 VanDerWaalsContact N-O 3.08Å; D244-R280 WeakPolarHBondContact OD1-CB 3.19Å; D244-R280 IonicContact OD1-NE 3.72Å; D244-R280 IonicContact OD2-CZ 3.16Å; D244-R280 IonicContact OD2-NE 2.81Å; D244-R280 PolarHBondContact OD2-NE 3.47Å; D244-R280 IonicContact OD2-NH2 2.68Å; D244-R280 PolarHBondContact OD2-NH2 3.38Å; E277-R280 WeakPolarHBondContact O-CB 3.4Å; E277-R280 PolarHBondContact O-N 3.19Å; E277-R280 IonicContact OE1-NH1 3.65Å; E277-R280 WeakPolarHBondContact OE2-CD 3.26Å; E277-R280 IonicContact OE2-CZ 3.54Å; E277-R280 IonicContact OE2-NE 3.81Å; E277-R280 IonicContact OE2-NH1 2.68Å; E277-R280 PolarHBondContact OE2-NH1 3.16Å
281	Y	97	Very high	95.1	Very high	19 Å²	19	42.2 Å²	42.2	8%	0.075	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	132.1	178.7	-68.2	-91.5	0	0	0	111.4	Q242 W243 Q248 V271 V273 E277 E278	Q242-Y281 CarbonylContact O-C 3.53Å; Q242-Y281 VanDerWaalsContact O-CA 3.3Å; Q242-Y281 WeakPolarHBondContact O-CA 3.42Å; W243-Y281 HydrophobicContact CB-CD1 4.13Å; W243-Y281 HydrophobicContact CB-CE1 3.92Å; W243-Y281 AromaticContact CD1-CD2 3.95Å; W243-Y281 AromaticContact CD1-CE1 3.81Å; W243-Y281 AromaticContact CD1-CE2 3.46Å; W243-Y281 VanDerWaalsContact CD1-CE2 3.46Å; W243-Y281 AromaticContact CD1-CZ 3.39Å; W243-Y281 HydrophobicContact CG-CE1 4.17Å; W243-Y281 AromaticContact NE1-CE2 4Å; Q248-Y281 HydrophobicContact CG-CE1 4.35Å; V271-Y281 HydrophobicContact CG2-CD1 4.13Å; V273-Y281 HydrophobicContact CB-CD2 3.86Å; V273-Y281 HydrophobicContact CB-CE2 3.54Å; V273-Y281 HydrophobicContact CG1-CD1 3.85Å; V273-Y281 HydrophobicContact CG1-CD2 3.5Å; V273-Y281 HydrophobicContact CG1-CE1 3.81Å; V273-Y281 HydrophobicContact CG1-CE2 3.47Å; V273-Y281 VanDerWaalsContact CG1-CE2 3.47Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å; E277-Y281 HydrophobicContact CB-CE2 4.31Å; E277-Y281 WeakPolarHBondContact O-CD2 3.2Å; E278-Y281 PolarHBondContact O-N 2.9Å
282	T	97.8	Very high	94.9	Very high	12 Å²	12	49.2 Å²	49.2	7%	0.074	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	130.9	176.1	46.4	0	0	0	0	110.2	W241 Q242 H284 T295 L296 R297	W241-T282 CarbonylContact C-O 3.58Å; W241-T282 WeakPolarHBondContact CA-O 3.4Å; Q242-T282 PolarHBondContact N-O 2.98Å; Q242-T282 PolarHBondContact O-N 2.75Å; Q242-T282 PolarHBondContact O-OG1 3.05Å; T282-H284 PolarHBondContact OG1-NE2 3.3Å; T282-H284 VanDerWaalsContact OG1-NE2 3.12Å; T282-T295 HydrophobicContact CG2-CG2 3.99Å; T282-L296 CarbonylContact C-O 3.55Å; T282-L296 VanDerWaalsContact CA-O 3.32Å; T282-L296 WeakPolarHBondContact CA-O 3.35Å; T282-R297 HydrophobicContact CG2-CG 3.76Å
283	C	98	Very high	94.8	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	131.3	169.9	173.9	0	0	0	0	109.2	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.47Å; C227-C283 VanDerWaalsContact CB-CB 3.47Å; C227-C283 WeakPolarHBondContact CB-SG 3.3Å; C227-C283 WeakPolarHBondContact SG-CB 3.14Å; C227-C283 CovalentContact SG-SG 2.02Å; C227-C283 PolarHBondContact SG-SG 2.96Å; T240-C283 CarbonylContact O-C 3.59Å; T240-C283 WeakPolarHBondContact O-CA 3.35Å; W241-C283 HydrophobicContact CD2-CB 4.06Å; W241-C283 HydrophobicContact CE3-CB 4Å; W241-C283 HydrophobicContact CH2-CB 4.01Å; W241-C283 HydrophobicContact CZ2-CB 4.08Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å; C283-T295 CarbonylContact O-C 3.57Å; C283-T295 WeakPolarHBondContact O-CA 3.5Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 2.91Å; C283-L296 PolarHBondContact O-N 3.38Å
284	H	97.8	Very high	94.8	Very high	31 Å²	31	51.8 Å²	51.8	14%	0.144	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133	175.9	-61.5	-97.6	0	0	0	109.7	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.38Å; T240-H284 PolarHBondContact N-O 3Å; T240-H284 PolarHBondContact O-N 3.31Å; Q242-H284 PolarHBondContact OE1-NE2 2.92Å; T282-H284 PolarHBondContact OG1-NE2 3.3Å; T282-H284 VanDerWaalsContact OG1-NE2 3.12Å; H284-L294 CarbonylContact C-O 3.57Å; H284-L294 WeakPolarHBondContact CA-O 3.33Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.42Å; H284-T295 PolarHBondContact CE1-OG1 3.14Å; H284-T295 VanDerWaalsContact CE1-OG1 3.3Å; H284-T295 PolarHBondContact ND1-OG1 3.01Å
285	V	98	Very high	94.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	120.8	-176.9	-175.1	0	0	0	0	109.5	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.93Å; T211-V285 HydrophobicContact CG2-CB 4.37Å; T211-V285 HydrophobicContact CG2-CG1 4.1Å; T211-V285 HydrophobicContact CG2-CG2 4.02Å; I237-V285 HydrophobicContact CD1-CG1 4.09Å; I237-V285 HydrophobicContact CG1-CG1 4.41Å; T238-V285 WeakPolarHBondContact O-CA 3.49Å; L239-V285 HydrophobicContact CD1-CG1 3.98Å; L239-V285 HydrophobicContact CD1-CG2 4.43Å; L239-V285 HydrophobicContact CG-CG2 4.27Å; V285-L290 HydrophobicContact CG1-CD1 4.14Å; V285-P293 WeakPolarHBondContact O-CA 3.42Å; V285-L294 HydrophobicContact CB-CB 4.37Å; V285-L294 PolarHBondContact N-O 3.26Å; V285-L294 PolarHBondContact O-N 2.82Å; V285-L296 HydrophobicContact CG2-CD1 3.97Å
286	Q	97.1	Very high	95.1	Very high	75 Å²	75	52.1 Å²	52.1	35%	0.35	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.2	175.4	-54	-179.7	12.9	0	0	109.4	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.4Å; T238-Q286 PolarHBondContact N-O 3.38Å; T238-Q286 PolarHBondContact O-N 3.13Å; Q286-P293 HydrophobicContact CG-CB 4.01Å; Q286-P293 HydrophobicContact CG-CG 4.08Å
287	H	95.8	Very high	95.4	Very high	9 Å²	9	55.3 Å²	55.3	4%	0.042	28%	0.279	C	S	.	.			trans	-156.3	146.8	-175.8	-177.6	-102.9	0	0	0	109.2	E207 P209 F232 Y233 P234 E236 I237 G289 L290	E207-H287 PolarHBondContact N-CE1 2.97Å; E207-H287 PolarHBondContact O-CE1 2.81Å; P209-H287 HydrophobicContact CG-CB 4.15Å; F232-H287 AromaticContact CD2-CD2 3.96Å; F232-H287 AromaticContact CD2-NE2 3.58Å; Y233-H287 PolarHBondContact O-CE1 3.04Å; Y233-H287 PolarHBondContact O-NE2 3.1Å; P234-H287 WeakPolarHBondContact CA-NE2 3.35Å; P234-H287 VanDerWaalsContact CD-NE2 3.34Å; P234-H287 WeakPolarHBondContact CD-NE2 3.5Å; P234-H287 PolarHBondContact O-NE2 2.6Å; E236-H287 PolarHBondContact O-CD2 3.27Å; E236-H287 VanDerWaalsContact O-CD2 3.3Å; I237-H287 HydrophobicContact CD1-CB 4.26Å; I237-H287 HydrophobicContact CG1-CB 4.05Å; H287-G289 PolarHBondContact ND1-N 3.25Å; H287-G289 VanDerWaalsContact ND1-N 3.11Å; H287-G289 PolarHBondContact O-N 2.81Å; H287-G289 VanDerWaalsContact O-N 3.15Å; H287-L290 HydrophobicContact CB-CD1 3.97Å; H287-L290 HydrophobicContact CB-CG 4.12Å; H287-L290 PolarHBondContact O-N 2.71Å
288	E	92	Very high	95.4	Very high	68 Å²	68	54.6 Å²	54.6	32%	0.318	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-41.9	-179.6	175.5	179.2	90.5	0	0	113.4	W23 A206 P234 L290	W23-E288 HydrophobicContact CE3-CB 4.19Å; A206-E288 HydrophobicContact CB-CG 4.19Å; P234-E288 HydrophobicContact CG-CB 4.34Å; E288-L290 VanDerWaalsContact C-N 3.28Å; E288-L290 PolarHBondContact O-N 3.46Å
289	G	91.4	Very high	95.1	Very high	13 Å²	13	61.4 Å²	61.4	13%	0.134	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-28.9	-177.2	0	0	0	0	0	113	A206 H208 H287 P291	A206-G289 VanDerWaalsContact CB-CA 3.47Å; H208-G289 PolarHBondContact CE1-O 2.91Å; H208-G289 VanDerWaalsContact ND1-C 3.27Å; H208-G289 PolarHBondContact ND1-O 2.92Å; H287-G289 PolarHBondContact ND1-N 3.25Å; H287-G289 VanDerWaalsContact ND1-N 3.11Å; H287-G289 PolarHBondContact O-N 2.81Å; H287-G289 VanDerWaalsContact O-N 3.15Å; G289-P291 WeakPolarHBondContact O-CD 3.08Å
290	L	93.8	Very high	94.5	Very high	24 Å²	24	61.1 Å²	61.1	13%	0.126	31%	0.312	C	S	.	.			trans	-74.3	120.8	-175.6	-65.2	173.5	0	0	0	110.4	H208 P209 V285 H287 E288 E292 L294	H208-L290 HydrophobicContact CB-CD2 4.17Å; P209-L290 HydrophobicContact CG-CD1 3.87Å; P209-L290 HydrophobicContact CG-CD2 4.4Å; P209-L290 HydrophobicContact CG-CG 4.22Å; V285-L290 HydrophobicContact CG1-CD1 4.14Å; H287-L290 HydrophobicContact CB-CD1 3.97Å; H287-L290 HydrophobicContact CB-CG 4.12Å; H287-L290 PolarHBondContact O-N 2.71Å; E288-L290 VanDerWaalsContact C-N 3.28Å; E288-L290 PolarHBondContact O-N 3.46Å; L290-E292 PolarHBondContact O-N 2.81Å; L290-L294 HydrophobicContact CD1-CD1 4.05Å; L290-L294 HydrophobicContact CD1-CG 3.93Å; L290-L294 HydrophobicContact CD2-CD1 3.67Å; L290-L294 HydrophobicContact CD2-CG 3.87Å
291	P	91.3	Very high	92.9	Very high	122 Å²	122	62.3 Å²	62.3	79%	0.792	33%	0.332	S	S	*	.	S	Bend	trans	-68.5	-25.7	179.3	29.1	-35.4	0	0	0	112.5	G289	G289-P291 WeakPolarHBondContact O-CD 3.08Å
292	E	92.6	Very high	90.6	Very high	151 Å²	151	67 Å²	67	71%	0.706	37%	0.367	S	S	*	.	S	Bend	trans	-140.5	146.9	171.2	-65.1	-176.1	175.6	0	0	108.4	L290 L294	L290-E292 PolarHBondContact O-N 2.81Å; E292-L294 PolarHBondContact O-N 3.14Å
293	P	95.2	Very high	88.1	Confident	76 Å²	76	74.2 Å²	74.2	49%	0.494	40%	0.4	S	S	.	.			trans	-54.6	135.9	175.1	-28.5	37	0	0	0	113.1	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.42Å; Q286-P293 HydrophobicContact CG-CB 4.01Å; Q286-P293 HydrophobicContact CG-CG 4.08Å
294	L	96.4	Very high	85.6	Confident	61 Å²	61	79 Å²	79	32%	0.319	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	129.9	174.7	-65	177.5	0	0	0	110.3	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.3Å; H284-L294 CarbonylContact C-O 3.57Å; H284-L294 WeakPolarHBondContact CA-O 3.33Å; V285-L294 HydrophobicContact CB-CB 4.37Å; V285-L294 PolarHBondContact N-O 3.26Å; V285-L294 PolarHBondContact O-N 2.82Å; L290-L294 HydrophobicContact CD1-CD1 4.05Å; L290-L294 HydrophobicContact CD1-CG 3.93Å; L290-L294 HydrophobicContact CD2-CD1 3.67Å; L290-L294 HydrophobicContact CD2-CG 3.87Å; E292-L294 PolarHBondContact O-N 3.14Å
295	T	97.4	Very high	83.4	Confident	85 Å²	85	84.1 Å²	84.1	52%	0.521	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.8	168	-54.6	0	0	0	0	109.5	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.99Å; C283-T295 CarbonylContact O-C 3.57Å; C283-T295 WeakPolarHBondContact O-CA 3.5Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.42Å; H284-T295 PolarHBondContact CE1-OG1 3.14Å; H284-T295 VanDerWaalsContact CE1-OG1 3.3Å; H284-T295 PolarHBondContact ND1-OG1 3.01Å
296	L	96.7	Very high	81.3	Confident	36 Å²	36	89 Å²	89	19%	0.188	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	145.5	-171.7	-59.6	161.6	0	0	0	110.4	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.49Å; T211-L296 HydrophobicContact CG2-CD1 4.14Å; V213-L296 HydrophobicContact CG2-CB 4.08Å; T282-L296 CarbonylContact C-O 3.55Å; T282-L296 VanDerWaalsContact CA-O 3.32Å; T282-L296 WeakPolarHBondContact CA-O 3.35Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 2.91Å; C283-L296 PolarHBondContact O-N 3.38Å; V285-L296 HydrophobicContact CG2-CD1 3.97Å
297	R	95.7	Very high	79.3	Confident	132 Å²	132	89.5 Å²	89.5	50%	0.498	50%	0.499	S	S	.	.			trans	-119.9	165.9	167.3	-72.5	-173.7	169.3	162.9	-3.2	109.8	Q279 T282 E299	Q279-R297 VanDerWaalsContact O-CZ 3.3Å; Q279-R297 PolarHBondContact O-NE 3.36Å; Q279-R297 VanDerWaalsContact O-NE 3.15Å; T282-R297 HydrophobicContact CG2-CG 3.76Å; R297-E299 PolarHBondContact O-N 3.4Å
298	W	95.3	Very high	77.7	Confident	46 Å²	46	94.7 Å²	94.7	17%	0.174	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-72.1	120.9	164	171	54.4	0	0	0	110	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.48Å; V213-W298 HydrophobicContact CG1-CB 3.85Å; H215-W298 HydrophobicContact CB-CD2 3.99Å; H215-W298 HydrophobicContact CB-CG 4.05Å; H215-W298 HydrophobicContact CB-CZ2 4.04Å; H215-W298 AromaticContact CG-CE2 3.76Å; H215-W298 AromaticContact CG-CZ2 3.8Å; H215-W298 AromaticContact ND1-CZ2 3.93Å; L225-W298 HydrophobicContact CD1-CB 4.45Å; L225-W298 HydrophobicContact CD2-CB 3.83Å; L225-W298 HydrophobicContact CD2-CD2 4.42Å; L225-W298 HydrophobicContact CD2-CG 4.03Å; E278-W298 HydrophobicContact CB-CE3 3.5Å; E278-W298 VanDerWaalsContact CB-CE3 3.5Å; E278-W298 HydrophobicContact CB-CZ3 3.93Å; E278-W298 HydrophobicContact CG-CE3 3.8Å; E278-W298 HydrophobicContact CG-CZ3 3.82Å; Q279-W298 PolarHBondContact NE2-O 2.98Å; W298-P300 HydrophobicContact CD2-CG 4.47Å; W298-P300 HydrophobicContact CE3-CG 4.29Å; W298-P300 HydrophobicContact CH2-CB 4.2Å; W298-P300 HydrophobicContact CH2-CG 3.87Å; W298-P300 HydrophobicContact CZ2-CB 3.98Å; W298-P300 HydrophobicContact CZ2-CG 3.98Å; W298-P300 HydrophobicContact CZ3-CG 4.01Å
299	E	88.9	Confident	76.1	Confident	166 Å²	166	97.4 Å²	97.4	78%	0.776	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-95.3	119.8	167.1	-65.9	-171.7	161.8	0	0	109.3	R297 S301	R297-E299 PolarHBondContact O-N 3.4Å; E299-S301 PolarHBondContact O-N 2.88Å
300	P	80.4	Confident	74.9	Confident	80 Å²	80	98.8 Å²	98.8	52%	0.519	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-57.5	127.3	170	-22.9	33.3	0	0	0	109.8	W298 S302	W298-P300 HydrophobicContact CD2-CG 4.47Å; W298-P300 HydrophobicContact CE3-CG 4.29Å; W298-P300 HydrophobicContact CH2-CB 4.2Å; W298-P300 HydrophobicContact CH2-CG 3.87Å; W298-P300 HydrophobicContact CZ2-CB 3.98Å; W298-P300 HydrophobicContact CZ2-CG 3.98Å; W298-P300 HydrophobicContact CZ3-CG 4.01Å; P300-S302 PolarHBondContact O-N 3Å
301	S	62.4	Low	73.9	Confident	103 Å²	103	102.1 Å²	102.1	72%	0.72	58%	0.579	S	S	*	*			trans	-63.2	105.6	-169.1	56.9	0	0	0	0	111.8	E299 Q303	E299-S301 PolarHBondContact O-N 2.88Å; S301-Q303 PolarHBondContact O-N 2.9Å
302	S	48.7	Very low	73.1	Confident	117 Å²	117	100.6 Å²	100.6	82%	0.818	57%	0.567	S	S	*	*			trans	-75.1	52	175.5	65.7	0	0	0	0	111.9	P300 P304	P300-S302 PolarHBondContact O-N 3Å; S302-P304 WeakPolarHBondContact O-CD 3.45Å
303	Q	46	Very low	72.3	Confident	164 Å²	164	95.9 Å²	95.9	77%	0.766	55%	0.554	S	S	*	*			trans	-69.5	110.1	155.4	-74.9	-167.2	-9.8	0	0	106.8	S301 T305	S301-Q303 PolarHBondContact O-N 2.9Å; Q303-T305 PolarHBondContact O-N 2.81Å; Q303-T305 VanDerWaalsContact O-N 3.13Å
304	P	44.4	Very low	71.6	Confident	99 Å²	99	93.9 Å²	93.9	64%	0.643	55%	0.547	S	S	*	.			trans	-62.2	122	167.2	27.2	-32.5	0	0	0	106.9	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.45Å; P304-I306 HydrophobicContact CB-CG1 4.25Å; P304-I306 HydrophobicContact CG-CG1 4.14Å; P304-I306 PolarHBondContact O-N 3.08Å
305	T	51.1	Low	71	Confident	139 Å²	139	96.1 Å²	96.1	85%	0.853	56%	0.559	S	S	*	*			trans	-68.8	73.1	165.3	-48.5	0	0	0	0	107.9	Q303 P307	Q303-T305 PolarHBondContact O-N 2.81Å; Q303-T305 VanDerWaalsContact O-N 3.13Å; T305-P307 WeakPolarHBondContact O-CD 3.4Å; T305-P307 VanDerWaalsContact O-N 3.08Å
306	I	54.5	Low	70.3	Confident	102 Å²	102	94.7 Å²	94.7	52%	0.523	56%	0.556	S	S	.	*			trans	-52.1	119.6	173.4	-63.4	175.2	0	0	0	105.1	P304 I308 I311	P304-I306 HydrophobicContact CB-CG1 4.25Å; P304-I306 HydrophobicContact CG-CG1 4.14Å; P304-I306 PolarHBondContact O-N 3.08Å; I306-I308 HydrophobicContact CG2-CG1 4.41Å; I306-I308 PolarHBondContact O-N 3.04Å; I306-I311 HydrophobicContact CG2-CD1 3.88Å
307	P	56.3	Low	69.8	Low	86 Å²	86	97.2 Å²	97.2	56%	0.558	57%	0.572	S	S	*	*			trans	-76.6	76.5	-174.3	30.2	-34.5	0	0	0	108.7	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.4Å; T305-P307 VanDerWaalsContact O-N 3.08Å; P307-V309 PolarHBondContact O-N 3.32Å; P307-G310 WeakPolarHBondContact O-CA 3.38Å; P307-G310 PolarHBondContact O-N 3.2Å; P307-I311 PolarHBondContact O-N 3.29Å
308	I	60.7	Low	69.2	Low	119 Å²	119	96.3 Å²	96.3	61%	0.61	58%	0.577	S	S	*	*	H	α-helix	trans	-53.7	-39	177	-65.6	167.5	0	0	0	109.2	I306 G310 I311 V312	I306-I308 HydrophobicContact CG2-CG1 4.41Å; I306-I308 PolarHBondContact O-N 3.04Å; I308-G310 VanDerWaalsContact C-N 3.35Å; I308-G310 PolarHBondContact O-N 2.88Å; I308-I311 PolarHBondContact O-N 2.83Å; I308-V312 HydrophobicContact CG2-CG2 4.26Å; I308-V312 WeakPolarHBondContact O-CB 3.35Å; I308-V312 VanDerWaalsContact O-CG2 3.26Å; I308-V312 WeakPolarHBondContact O-CG2 3.37Å; I308-V312 PolarHBondContact O-N 3.49Å
309	V	59.8	Low	68.8	Low	124 Å²	124	96.9 Å²	96.9	75%	0.752	59%	0.592	S	S	*	*	H	α-helix	trans	-56.4	-44.3	171.3	-179.3	0	0	0	0	112.2	P307 A313	P307-V309 PolarHBondContact O-N 3.32Å; V309-A313 WeakPolarHBondContact O-CB 3.47Å; V309-A313 PolarHBondContact O-N 3.21Å
310	G	64.9	Low	68.6	Low	43 Å²	43	93.2 Å²	93.2	44%	0.443	58%	0.58	S	S	.	*	H	α-helix	trans	-69	-39.3	178.4	0	0	0	0	0	113.2	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.38Å; P307-G310 PolarHBondContact O-N 3.2Å; I308-G310 VanDerWaalsContact C-N 3.35Å; I308-G310 PolarHBondContact O-N 2.88Å; G310-G314 PolarHBondContact O-N 3.14Å
311	I	72.9	Confident	68.8	Low	93 Å²	93	94.3 Å²	94.3	48%	0.477	58%	0.581	S	S	.	*	H	α-helix	trans	-66.3	-46.8	175.6	-62.3	171.8	0	0	0	110.3	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.88Å; P307-I311 PolarHBondContact O-N 3.29Å; I308-I311 PolarHBondContact O-N 2.83Å; I311-G314 PolarHBondContact O-N 2.86Å; I311-L315 HydrophobicContact CG2-CD1 4.01Å; I311-L315 WeakPolarHBondContact O-CB 3.26Å; I311-L315 WeakPolarHBondContact O-CG 3.27Å; I311-L315 PolarHBondContact O-N 3.16Å
312	V	74.7	Confident	69.8	Low	90 Å²	90	92.6 Å²	92.6	55%	0.545	57%	0.573	S	S	.	*	H	α-helix	trans	-63.3	-42.6	177.4	170.4	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.26Å; I308-V312 WeakPolarHBondContact O-CB 3.35Å; I308-V312 VanDerWaalsContact O-CG2 3.26Å; I308-V312 WeakPolarHBondContact O-CG2 3.37Å; I308-V312 PolarHBondContact O-N 3.49Å; V312-L315 PolarHBondContact O-N 2.87Å; V312-A316 WeakPolarHBondContact O-CB 3.35Å; V312-A316 PolarHBondContact O-N 2.88Å
313	A	75.1	Confident	71.5	Confident	52 Å²	52	91.5 Å²	91.5	43%	0.43	56%	0.561	S	S	.	*	H	α-helix	trans	-62.9	-44.4	175.1	0	0	0	0	0	112.1	V309 A316 V317	V309-A313 WeakPolarHBondContact O-CB 3.47Å; V309-A313 PolarHBondContact O-N 3.21Å; A313-A316 PolarHBondContact O-N 3.47Å; A313-V317 WeakPolarHBondContact O-CG2 3.31Å; A313-V317 PolarHBondContact O-N 3.43Å
314	G	80.8	Confident	73.2	Confident	34 Å²	34	88.4 Å²	88.4	35%	0.351	55%	0.55	S	S	.	.	H	α-helix	trans	-61.3	-44.2	176.6	0	0	0	0	0	112.9	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.14Å; I311-G314 PolarHBondContact O-N 2.86Å; G314-V317 PolarHBondContact O-N 3.09Å; G314-L318 WeakPolarHBondContact O-CB 3.49Å; G314-L318 WeakPolarHBondContact O-CG 3.47Å; G314-L318 PolarHBondContact O-N 3.29Å
315	L	84.9	Confident	74.9	Confident	109 Å²	109	85.7 Å²	85.7	57%	0.571	54%	0.54	S	S	*	.	H	α-helix	trans	-65.3	-39.8	175.7	-71.2	171.8	0	0	0	112.3	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.01Å; I311-L315 WeakPolarHBondContact O-CB 3.26Å; I311-L315 WeakPolarHBondContact O-CG 3.27Å; I311-L315 PolarHBondContact O-N 3.16Å; V312-L315 PolarHBondContact O-N 2.87Å; L315-L318 PolarHBondContact O-N 2.99Å; L315-A319 WeakPolarHBondContact O-CB 3.39Å; L315-A319 PolarHBondContact O-N 2.69Å
316	A	82.6	Confident	76.3	Confident	55 Å²	55	81.9 Å²	81.9	46%	0.455	52%	0.522	S	S	.	.	H	α-helix	trans	-63.5	-43.4	175.8	0	0	0	0	0	112	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.35Å; V312-A316 PolarHBondContact O-N 2.88Å; A313-A316 PolarHBondContact O-N 3.47Å; A316-A319 PolarHBondContact O-N 3.4Å; A316-V320 WeakPolarHBondContact O-CG2 3.28Å; A316-V320 PolarHBondContact O-N 3.29Å
317	V	85.2	Confident	77.5	Confident	88 Å²	88	80.9 Å²	80.9	53%	0.533	52%	0.521	S	S	.	.	H	α-helix	trans	-63.4	-44.2	175.5	171	0	0	0	0	111.2	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.31Å; A313-V317 PolarHBondContact O-N 3.43Å; G314-V317 PolarHBondContact O-N 3.09Å; V317-A319 PolarHBondContact O-N 2.93Å; V317-V320 PolarHBondContact O-N 3.4Å; V317-L321 HydrophobicContact CG1-CD1 3.9Å; V317-L321 HydrophobicContact CG1-CG 4.39Å; V317-L321 WeakPolarHBondContact O-CB 3.16Å; V317-L321 WeakPolarHBondContact O-CG 3.3Å; V317-L321 PolarHBondContact O-N 2.91Å
318	L	84.7	Confident	78.5	Confident	113 Å²	113	80.9 Å²	80.9	59%	0.592	52%	0.519	S	S	*	.	H	α-helix	trans	-60.9	-41.7	175.7	-79.2	166.5	0	0	0	112.4	G314 L315 L321 A322	G314-L318 WeakPolarHBondContact O-CB 3.49Å; G314-L318 WeakPolarHBondContact O-CG 3.47Å; G314-L318 PolarHBondContact O-N 3.29Å; L315-L318 PolarHBondContact O-N 2.99Å; L318-L321 PolarHBondContact O-N 2.82Å; L318-A322 WeakPolarHBondContact O-CB 3.48Å; L318-A322 PolarHBondContact O-N 3.1Å
319	A	84.9	Confident	79.2	Confident	59 Å²	59	77.6 Å²	77.6	49%	0.488	51%	0.51	S	S	.	.	H	α-helix	trans	-63.3	-44.1	176.4	0	0	0	0	0	112.1	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.39Å; L315-A319 PolarHBondContact O-N 2.69Å; A316-A319 PolarHBondContact O-N 3.4Å; V317-A319 PolarHBondContact O-N 2.93Å; A319-A322 PolarHBondContact O-N 3.41Å; A319-V323 WeakPolarHBondContact O-CG2 3.42Å; A319-V323 PolarHBondContact O-N 3.15Å
320	V	84.8	Confident	79.9	Confident	89 Å²	89	75.5 Å²	75.5	54%	0.539	50%	0.497	S	S	.	.	H	α-helix	trans	-62.5	-44.1	175.9	170.4	0	0	0	0	111.3	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.28Å; A316-V320 PolarHBondContact O-N 3.29Å; V317-V320 PolarHBondContact O-N 3.4Å; V320-A322 PolarHBondContact O-N 3.48Å; V320-V323 PolarHBondContact O-N 3.5Å; V320-L324 HydrophobicContact CG1-CD1 3.92Å; V320-L324 HydrophobicContact CG1-CG 4.46Å; V320-L324 WeakPolarHBondContact O-CB 3.35Å; V320-L324 WeakPolarHBondContact O-CG 3.44Å; V320-L324 PolarHBondContact O-N 3.17Å
321	L	85.8	Confident	80.3	Confident	103 Å²	103	77.5 Å²	77.5	54%	0.539	50%	0.5	S	S	.	.	H	α-helix	trans	-63.9	-39.2	176.8	-71	172.1	0	0	0	112.4	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 3.9Å; V317-L321 HydrophobicContact CG1-CG 4.39Å; V317-L321 WeakPolarHBondContact O-CB 3.16Å; V317-L321 WeakPolarHBondContact O-CG 3.3Å; V317-L321 PolarHBondContact O-N 2.91Å; L318-L321 PolarHBondContact O-N 2.82Å; L321-L324 PolarHBondContact O-N 2.95Å; L321-G325 PolarHBondContact O-N 3.09Å
322	A	83.7	Confident	80.2	Confident	67 Å²	67	79.2 Å²	79.2	55%	0.554	51%	0.508	S	S	*	.	H	α-helix	trans	-64.3	-42.9	175.6	0	0	0	0	0	112.2	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.48Å; L318-A322 PolarHBondContact O-N 3.1Å; A319-A322 PolarHBondContact O-N 3.41Å; V320-A322 PolarHBondContact O-N 3.48Å; A322-G325 PolarHBondContact O-N 2.94Å; A322-A326 WeakPolarHBondContact O-CB 3.28Å; A322-A326 PolarHBondContact O-N 2.91Å
323	V	83	Confident	79.6	Confident	94 Å²	94	79.2 Å²	79.2	57%	0.57	51%	0.51	S	S	*	.	H	α-helix	trans	-63.9	-44.7	175.3	171.3	0	0	0	0	111.2	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.42Å; A319-V323 PolarHBondContact O-N 3.15Å; V320-V323 PolarHBondContact O-N 3.5Å; V323-G325 PolarHBondContact O-N 3.43Å; V323-A326 PolarHBondContact O-N 3.34Å; V323-V327 WeakPolarHBondContact O-CG2 3.36Å; V323-V327 PolarHBondContact O-N 2.68Å
324	L	81.9	Confident	79	Confident	99 Å²	99	85.6 Å²	85.6	52%	0.518	52%	0.524	S	S	.	.	H	α-helix	trans	-61.6	-43.5	176	-72.2	169.7	0	0	0	111.8	V320 L321 A326 V327 V328	V320-L324 HydrophobicContact CG1-CD1 3.92Å; V320-L324 HydrophobicContact CG1-CG 4.46Å; V320-L324 WeakPolarHBondContact O-CB 3.35Å; V320-L324 WeakPolarHBondContact O-CG 3.44Å; V320-L324 PolarHBondContact O-N 3.17Å; L321-L324 PolarHBondContact O-N 2.95Å; L324-A326 PolarHBondContact O-N 2.89Å; L324-V327 PolarHBondContact O-N 2.79Å; L324-V328 WeakPolarHBondContact O-CG2 3.48Å; L324-V328 PolarHBondContact O-N 3.46Å
325	G	81.7	Confident	77.9	Confident	42 Å²	42	94 Å²	94	43%	0.433	55%	0.545	S	S	.	.	H	α-helix	trans	-60.1	-43.9	174.9	0	0	0	0	0	112.8	L321 A322 V323 V328 A329	L321-G325 PolarHBondContact O-N 3.09Å; A322-G325 PolarHBondContact O-N 2.94Å; V323-G325 PolarHBondContact O-N 3.43Å; G325-V328 PolarHBondContact O-N 3.38Å; G325-A329 WeakPolarHBondContact O-CB 3.44Å; G325-A329 PolarHBondContact O-N 3.22Å
326	A	79.3	Confident	76.2	Confident	58 Å²	58	97.6 Å²	97.6	48%	0.479	56%	0.556	S	S	.	*	H	α-helix	trans	-63.6	-42.1	175.6	0	0	0	0	0	112.4	A322 V323 L324 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.28Å; A322-A326 PolarHBondContact O-N 2.91Å; V323-A326 PolarHBondContact O-N 3.34Å; L324-A326 PolarHBondContact O-N 2.89Å; A326-A329 PolarHBondContact O-N 3.47Å; A326-V330 WeakPolarHBondContact O-CG2 3.44Å; A326-V330 PolarHBondContact O-N 3.15Å
327	V	80.1	Confident	74.7	Confident	82 Å²	82	99.4 Å²	99.4	50%	0.497	57%	0.565	S	S	.	*	H	α-helix	trans	-62.7	-45.1	175.5	169.8	0	0	0	0	111.1	V323 L324 A329 V330 V331	V323-V327 WeakPolarHBondContact O-CG2 3.36Å; V323-V327 PolarHBondContact O-N 2.68Å; L324-V327 PolarHBondContact O-N 2.79Å; V327-A329 PolarHBondContact O-N 2.89Å; V327-V330 PolarHBondContact O-N 3.2Å; V327-V331 HydrophobicContact CG1-CG2 4.47Å; V327-V331 WeakPolarHBondContact O-CB 3.32Å; V327-V331 VanDerWaalsContact O-CG2 3.32Å; V327-V331 WeakPolarHBondContact O-CG2 3.46Å; V327-V331 PolarHBondContact O-N 2.9Å
328	V	78	Confident	73	Confident	85 Å²	85	99.8 Å²	99.8	52%	0.515	57%	0.571	S	S	.	*	H	α-helix	trans	-61.2	-44	176	171.2	0	0	0	0	111.1	L324 G325 V331 M332	L324-V328 WeakPolarHBondContact O-CG2 3.48Å; L324-V328 PolarHBondContact O-N 3.46Å; G325-V328 PolarHBondContact O-N 3.38Å; V328-V331 PolarHBondContact O-N 2.94Å; V328-M332 HydrophobicContact CG1-CG 4.42Å; V328-M332 HydrophobicContact CG1-SD 4.1Å; V328-M332 WeakPolarHBondContact O-CB 2.95Å; V328-M332 WeakPolarHBondContact O-CG 3.21Å; V328-M332 PolarHBondContact O-N 2.75Å
329	A	74.4	Confident	71.1	Confident	51 Å²	51	97.6 Å²	97.6	42%	0.421	58%	0.576	S	S	.	*	H	α-helix	trans	-60.5	-46.4	176.4	0	0	0	0	0	112.2	G325 A326 V327 V331 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.44Å; G325-A329 PolarHBondContact O-N 3.22Å; A326-A329 PolarHBondContact O-N 3.47Å; V327-A329 PolarHBondContact O-N 2.89Å; A329-V331 PolarHBondContact O-N 2.93Å; A329-M332 PolarHBondContact O-N 2.68Å; A329-C333 WeakPolarHBondContact O-CB 3.14Å; A329-C333 PolarHBondContact O-N 2.77Å; A329-C333 PolarHBondContact O-SG 3.04Å
330	V	74.1	Confident	68.8	Low	79 Å²	79	98.8 Å²	98.8	48%	0.479	59%	0.594	S	S	.	*	H	α-helix	trans	-62.3	-41	176.7	169.1	0	0	0	0	111.7	A326 V327 C333 R334	A326-V330 WeakPolarHBondContact O-CG2 3.44Å; A326-V330 PolarHBondContact O-N 3.15Å; V327-V330 PolarHBondContact O-N 3.2Å; V330-C333 PolarHBondContact O-N 3.14Å; V330-R334 WeakPolarHBondContact O-CB 3.19Å; V330-R334 PolarHBondContact O-N 2.72Å
331	V	73.4	Confident	66.5	Low	85 Å²	85	105 Å²	105	52%	0.515	61%	0.614	S	S	.	*	H	α-helix	trans	-65.2	-43.2	175.7	169.6	0	0	0	0	111.1	V327 V328 A329 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.47Å; V327-V331 WeakPolarHBondContact O-CB 3.32Å; V327-V331 VanDerWaalsContact O-CG2 3.32Å; V327-V331 WeakPolarHBondContact O-CG2 3.46Å; V327-V331 PolarHBondContact O-N 2.9Å; V328-V331 PolarHBondContact O-N 2.94Å; A329-V331 PolarHBondContact O-N 2.93Å; V331-R334 PolarHBondContact O-N 3.07Å; V331-R335 WeakPolarHBondContact O-CB 3.31Å; V331-R335 PolarHBondContact O-N 3.22Å
332	M	71.4	Confident	64	Low	130 Å²	130	104 Å²	104	64%	0.64	63%	0.628	S	S	*	*	H	α-helix	trans	-65.1	-41.5	176.5	-73.4	-175.2	70.4	0	0	112.4	V328 A329 R335 K336	V328-M332 HydrophobicContact CG1-CG 4.42Å; V328-M332 HydrophobicContact CG1-SD 4.1Å; V328-M332 WeakPolarHBondContact O-CB 2.95Å; V328-M332 WeakPolarHBondContact O-CG 3.21Å; V328-M332 PolarHBondContact O-N 2.75Å; A329-M332 PolarHBondContact O-N 2.68Å; M332-R335 PolarHBondContact O-N 3.01Å; M332-K336 WeakPolarHBondContact O-CB 3.37Å; M332-K336 PolarHBondContact O-N 3.4Å
333	C	63.1	Low	61.5	Low	89 Å²	89	104.7 Å²	104.7	60%	0.601	64%	0.643	S	S	*	*	H	α-helix	trans	-59.7	-46.9	172.4	-75.8	0	0	0	0	111.6	A329 V330 R335 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.14Å; A329-C333 PolarHBondContact O-N 2.77Å; A329-C333 PolarHBondContact O-SG 3.04Å; V330-C333 PolarHBondContact O-N 3.14Å; C333-R335 VanDerWaalsContact C-N 3.32Å; C333-R335 PolarHBondContact O-N 2.65Å; C333-K336 PolarHBondContact O-N 2.64Å; C333-K336 VanDerWaalsContact O-N 3.11Å; C333-S337 PolarHBondContact O-N 2.66Å; C333-S337 PolarHBondContact O-OG 3.21Å
334	R	61.3	Low	59.2	Low	187 Å²	187	106.3 Å²	106.3	71%	0.706	66%	0.658	S	S	*	*	H	α-helix	trans	-63.5	-34.3	176.7	-80.1	-177.5	162.2	175.1	-4.4	113.4	V330 V331 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.19Å; V330-R334 PolarHBondContact O-N 2.72Å; V331-R334 PolarHBondContact O-N 3.07Å; R334-K336 VanDerWaalsContact C-N 3.33Å; R334-S337 WeakPolarHBondContact CA-OG 3.4Å; R334-S337 PolarHBondContact O-OG 3.35Å
335	R	57.1	Low	56.8	Low	211 Å²	211	107.3 Å²	107.3	80%	0.796	67%	0.672	S	S	*	*	H	α-helix	trans	-74.2	-22.5	174.9	-147	175.6	-167	179	3.5	112.9	V331 M332 C333 S338	V331-R335 WeakPolarHBondContact O-CB 3.31Å; V331-R335 PolarHBondContact O-N 3.22Å; M332-R335 PolarHBondContact O-N 3.01Å; C333-R335 VanDerWaalsContact C-N 3.32Å; C333-R335 PolarHBondContact O-N 2.65Å; R335-S338 PolarHBondContact O-OG 2.81Å
336	K	50.3	Low	54.5	Low	183 Å²	183	110.6 Å²	110.6	80%	0.796	69%	0.688	S	S	*	*	H	α-helix	trans	-87	-22.9	174.4	-167.5	169.2	-179	177.6	0	113.1	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.37Å; M332-K336 PolarHBondContact O-N 3.4Å; C333-K336 PolarHBondContact O-N 2.64Å; C333-K336 VanDerWaalsContact O-N 3.11Å; R334-K336 VanDerWaalsContact C-N 3.33Å
337	S	51.6	Low	52.4	Low	93 Å²	93	116.8 Å²	116.8	65%	0.65	71%	0.707	S	S	*	*	S	Bend	trans	-84.7	-2.2	176.6	59	0	0	0	0	115	C333 R334 G339	C333-S337 PolarHBondContact O-N 2.66Å; C333-S337 PolarHBondContact O-OG 3.21Å; R334-S337 WeakPolarHBondContact CA-OG 3.4Å; R334-S337 PolarHBondContact O-OG 3.35Å; S337-G339 PolarHBondContact O-N 2.93Å
338	S	48.3	Very low	50.1	Low	96 Å²	96	117.3 Å²	117.3	67%	0.671	72%	0.72	S	S	*	*	S	Bend	trans	-95.2	31.5	-177.7	69.3	0	0	0	0	114.1	R335	R335-S338 PolarHBondContact O-OG 2.81Å
339	G	45.5	Very low	48.1	Very low	67 Å²	67	117.4 Å²	117.4	69%	0.691	73%	0.73	S	S	*	*	S	Bend	trans	-164.1	114.4	177.9	0	0	0	0	0	113.4	S337	S337-G339 PolarHBondContact O-N 2.93Å
340	G	36.3	Very low	46.3	Very low	84 Å²	84	120.6 Å²	120.6	87%	0.866	75%	0.749	S	S	*	*			trans	127	137.5	179	0	0	0	0	0	113
341	K	36.6	Very low	44.5	Very low	219 Å²	219	121.7 Å²	121.7	95%	0.952	76%	0.76	S	S	*	*			trans	-152.1	135	-175.3	-176.1	175.3	179	178.2	0	111.2
342	G	33.8	Very low	42.8	Very low	82 Å²	82	125 Å²	125	85%	0.845	78%	0.775	S	S	*	*			trans	113	148	-178	0	0	0	0	0	112.3
343	G	30.9	Very low	41.3	Very low	83 Å²	83	124.7 Å²	124.7	86%	0.856	79%	0.786	S	S	*	*			cis	-143.8	-158.2	7	0	0	0	0	0	114.4
344	S	33.7	Very low	40.1	Very low	128 Å²	128	125 Å²	125	90%	0.895	80%	0.795	S	S	*	*			trans	-94.4	172.4	-160.4	-162.3	0	0	0	0	116.7
345	C	33	Very low	38.9	Very low	120 Å²	120	125.9 Å²	125.9	81%	0.811	81%	0.807	S	S	*	*			trans	-94	153	-176.7	-50.3	0	0	0	0	115.7
346	S	32.5	Very low	37.7	Very low	110 Å²	110	118.9 Å²	118.9	77%	0.769	80%	0.801	S	S	*	*			trans	-173.2	133	137.3	41.9	0	0	0	0	109
347	Q	34.9	Very low	36.9	Very low	189 Å²	189	116.2 Å²	116.2	88%	0.883	81%	0.805	S	S	*	*				51.5	135.7	81.4	-81.8	-168	-37.6	0	0	115.2
348	A	32.6	Very low	36.3	Very low	92 Å²	92	119.6 Å²	119.6	76%	0.76	82%	0.816	S	S	*	*			cis	-165.9	-166.4	-9.4	0	0	0	0	0	108.2
349	A	35.8	Very low	35.6	Very low	87 Å²	87	124.3 Å²	124.3	72%	0.719	83%	0.827	S	S	*	*			cis	-163.5	166.2	4.8	0	0	0	0	0	112.3
350	S	37.3	Very low	34.9	Very low	119 Å²	119	125.4 Å²	125.4	83%	0.832	82%	0.824	S	S	*	*			trans	74.3	158.6	154.1	85.3	0	0	0	0	119
351	S	35.3	Very low	34.8	Very low	101 Å²	101	128.3 Å²	128.3	71%	0.706	82%	0.819	S	S	*	*			cis	-148.2	153.4	14.1	62.4	0	0	0	0	115.8
352	N	37.7	Very low	34.6	Very low	154 Å²	154	125.2 Å²	125.2	82%	0.824	81%	0.811	S	S	*	*			trans	14.4	149.4	146.6	-57.4	-1.1	0	0	0	120.5
353	S	40.1	Very low	34.6	Very low	125 Å²	125	126 Å²	126	87%	0.874	81%	0.81	S	S	*	*			cis	-158.7	-179.6	48.7	51.4	0	0	0	0	113.9
354	A	38.4	Very low	34.7	Very low	96 Å²	96	128 Å²	128	79%	0.793	81%	0.809	S	S	*	*			trans	-141.7	144.3	-166.2	0	0	0	0	0	114.8
355	Q	36.2	Very low	34.7	Very low	205 Å²	205	131.9 Å²	131.9	96%	0.958	81%	0.81	S	S	*	*			trans	175.6	147.4	157.5	-102.1	165.9	-14.7	0	0	107.8
356	G	30	Very low	34.8	Very low	64 Å²	64	134.4 Å²	134.4	66%	0.66	84%	0.839	S	S	*	*			cis	170.9	146.9	-11.8	0	0	0	0	0	112.6
357	S	35.3	Very low	34.9	Very low	127 Å²	127	135.6 Å²	135.6	89%	0.888	84%	0.843	S	S	*	*			trans	65.4	152.9	162.2	-54.2	0	0	0	0	120.9
358	D	37.9	Very low	34.9	Very low	163 Å²	163	132.8 Å²	132.8	87%	0.872	84%	0.841	S	S	*	*			trans	-74.7	151.6	179.5	-48.1	-92.6	0	0	0	114.4
359	E	33.5	Very low	35.1	Very low	195 Å²	195	135.1 Å²	135.1	91%	0.911	85%	0.845	S	S	*	*			trans	-150.4	-176.5	135.6	-136.3	-176.9	173	0	0	111.2
360	S	31.9	Very low	35	Very low	90 Å²	90	137.9 Å²	137.9	63%	0.629	85%	0.852	S	S	*	*			trans	-134.4	163.9	-146.3	77.1	0	0	0	0	117.1
361	L	32.6	Very low	34.9	Very low	145 Å²	145	139.1 Å²	139.1	76%	0.759	85%	0.854	S	S	*	*			trans	73.5	128.5	155.7	-64.7	168.1	0	0	0	121.1
362	I	32.5	Very low	34.9	Very low	154 Å²	154	141.6 Å²	141.6	79%	0.79	86%	0.864	S	S	*	*			trans	58.5	112.5	137.5	-57.2	168.6	0	0	0	119.3
363	A	33.4	Very low	34.7	Very low	99 Å²	99	140.7 Å²	140.7	82%	0.818	87%	0.866	S	S	*	*				-160.7	138.9	121.4	0	0	0	0	0	110.9
364	C	33.5	Very low	34.2	Very low	124 Å²	124	141.9 Å²	141.9	84%	0.838	87%	0.866	S	S	*	*			trans	-120.5	136.5	175.6	-60.7	0	0	0	0	111.5
365	K	35.2	Very low	33.9	Very low	211 Å²	211	145.8 Å²	145.8	92%	0.917	87%	0.872	S	S	*	*			trans	-178.1	151.9	137.9	-102	163.9	-178	-179.8	0	109.7
366	A	34.6	Very low	33.7	Very low	172 Å²	172	140.4 Å²	140.4	100%	1.421	86%	0.864	S	S	*	*			cis	-112.5	0	-0.4	0	0	0	0	0	111.5

Retrieved 366 of 366 residues in 94.3 ms (Link to these results)

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