A0A090KF14_HUMAN Loading...

HLA class I antigen

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

AlphaFold DB , UniProt , Accession A0A090KF14, 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	34	Very low	45.8	Very low	240 Å²	240	145.4 Å²	145.4	100%	1.182	73%	0.729	S	S	*	*				0	104.1	0	-74.2	166.8	170.9	0	0	108
2	R	37.2	Very low	46	Very low	252 Å²	252	143.7 Å²	143.7	95%	0.951	72%	0.722	S	S	*	*			trans	-90.9	107	169.2	-97.5	-178.7	173.6	166.1	-2.2	106.4	M4	R2-M4 PolarHBondContact O-N 2.62Å; R2-M4 VanDerWaalsContact O-N 3.17Å
3	V	40.4	Very low	45.6	Very low	140 Å²	140	140.2 Å²	140.2	85%	0.848	71%	0.706	S	S	*	*			trans	-72.4	106.3	172.2	179.3	0	0	0	0	106.5	A5	V3-A5 PolarHBondContact O-N 3.17Å
4	M	44.5	Very low	45.6	Very low	178 Å²	178	134.6 Å²	134.6	88%	0.877	69%	0.687	S	S	*	*			trans	-83.2	101.7	176.4	-151.7	169.4	67	0	0	106.5	R2	R2-M4 PolarHBondContact O-N 2.62Å; R2-M4 VanDerWaalsContact O-N 3.17Å
5	A	46.8	Very low	45.5	Very low	56 Å²	56	127.9 Å²	127.9	46%	0.463	66%	0.664	S	S	.	*			trans	-59.1	133.6	174.8	0	0	0	0	0	109	V3 R7	V3-A5 PolarHBondContact O-N 3.17Å; A5-R7 PolarHBondContact O-N 2.81Å
6	P	51.4	Low	45.3	Very low	75 Å²	75	123.1 Å²	123.1	49%	0.487	65%	0.649	S	S	.	*			trans	-64.9	132.2	-176.4	23.1	-28.3	0	0	0	109.6	T8 L9	P6-T8 PolarHBondContact O-N 2.66Å; P6-L9 HydrophobicContact CG-CB 4.2Å; P6-L9 WeakPolarHBondContact O-CB 3.42Å; P6-L9 PolarHBondContact O-N 3.38Å
7	R	52.3	Low	44.7	Very low	224 Å²	224	122.6 Å²	122.6	85%	0.845	65%	0.646	S	S	*	*	H	α-helix	trans	-51.2	-25.6	-178.8	-89.6	177.4	160.7	142.1	-6.3	113.9	A5 L11	A5-R7 PolarHBondContact O-N 2.81Å; R7-L11 PolarHBondContact O-N 2.7Å
8	T	51.2	Low	44.3	Very low	98 Å²	98	119 Å²	119	60%	0.601	64%	0.637	S	S	*	*	H	α-helix	trans	-67.3	-34.8	173.8	36.5	0	0	0	0	113.4	P6 L12	P6-T8 PolarHBondContact O-N 2.66Å; T8-L12 WeakPolarHBondContact O-CG 3.37Å; T8-L12 PolarHBondContact O-N 3.35Å; T8-L12 VanDerWaalsContact O-N 3.14Å
9	L	45.7	Very low	43.9	Very low	96 Å²	96	117.9 Å²	117.9	50%	0.503	63%	0.631	S	S	.	*	H	α-helix	trans	-70.9	-36.2	177.3	-151.2	86.7	0	0	0	111.4	P6 L13	P6-L9 HydrophobicContact CG-CB 4.2Å; P6-L9 WeakPolarHBondContact O-CB 3.42Å; P6-L9 PolarHBondContact O-N 3.38Å; L9-L13 WeakPolarHBondContact O-CB 3.43Å; L9-L13 WeakPolarHBondContact O-CD1 3.48Å; L9-L13 WeakPolarHBondContact O-CG 3.38Å; L9-L13 PolarHBondContact O-N 2.84Å; L9-L13 VanDerWaalsContact O-N 3.08Å
10	L	47.6	Very low	43.6	Very low	117 Å²	117	116.6 Å²	116.6	61%	0.613	63%	0.627	S	S	*	*	H	α-helix	trans	-66.6	-40.8	176.4	-125.1	93	0	0	0	111.6	L13 S14	L10-L13 PolarHBondContact O-N 2.98Å; L10-S14 PolarHBondContact O-N 2.88Å; L10-S14 PolarHBondContact O-OG 3.03Å
11	L	52.9	Low	43.3	Very low	123 Å²	123	119 Å²	119	64%	0.644	64%	0.635	S	S	*	*	H	α-helix	trans	-66.4	-41	177.7	-76.1	167.3	0	0	0	112.4	R7 S14 G15	R7-L11 PolarHBondContact O-N 2.7Å; L11-S14 VanDerWaalsContact CA-OG 3.3Å; L11-S14 WeakPolarHBondContact CA-OG 3.47Å; L11-S14 PolarHBondContact O-N 2.9Å; L11-S14 PolarHBondContact O-OG 3.03Å; L11-G15 PolarHBondContact O-N 3.14Å
12	L	48.4	Very low	43.7	Very low	125 Å²	125	112.8 Å²	112.8	65%	0.654	61%	0.61	S	S	*	*	H	α-helix	trans	-63.9	-38.9	174.4	-76.9	164.6	0	0	0	112.2	T8 G15 A16	T8-L12 WeakPolarHBondContact O-CG 3.37Å; T8-L12 PolarHBondContact O-N 3.35Å; T8-L12 VanDerWaalsContact O-N 3.14Å; L12-G15 PolarHBondContact O-N 3.24Å; L12-A16 WeakPolarHBondContact O-CB 3.25Å; L12-A16 PolarHBondContact O-N 2.97Å
13	L	40.7	Very low	44.3	Very low	98 Å²	98	105.7 Å²	105.7	51%	0.513	58%	0.583	S	S	.	*	H	α-helix	trans	-67.9	-37.4	175.3	-79.7	159.7	0	0	0	112.4	L9 L10 L17	L9-L13 WeakPolarHBondContact O-CB 3.43Å; L9-L13 WeakPolarHBondContact O-CD1 3.48Å; L9-L13 WeakPolarHBondContact O-CG 3.38Å; L9-L13 PolarHBondContact O-N 2.84Å; L9-L13 VanDerWaalsContact O-N 3.08Å; L10-L13 PolarHBondContact O-N 2.98Å; L13-L17 WeakPolarHBondContact O-CB 3.34Å; L13-L17 WeakPolarHBondContact O-CD1 3.42Å; L13-L17 VanDerWaalsContact O-CG 3.29Å; L13-L17 WeakPolarHBondContact O-CG 3.42Å; L13-L17 PolarHBondContact O-N 3.06Å
14	S	45	Very low	44.9	Very low	62 Å²	62	101.2 Å²	101.2	43%	0.434	56%	0.561	S	S	.	*	H	α-helix	trans	-72.2	-32	174	39.4	0	0	0	0	113.5	L10 L11 A18	L10-S14 PolarHBondContact O-N 2.88Å; L10-S14 PolarHBondContact O-OG 3.03Å; L11-S14 VanDerWaalsContact CA-OG 3.3Å; L11-S14 WeakPolarHBondContact CA-OG 3.47Å; L11-S14 PolarHBondContact O-N 2.9Å; L11-S14 PolarHBondContact O-OG 3.03Å; S14-A18 VanDerWaalsContact O-CB 3.31Å; S14-A18 WeakPolarHBondContact O-CB 3.33Å; S14-A18 PolarHBondContact O-N 2.98Å
15	G	45	Very low	46.3	Very low	34 Å²	34	95.6 Å²	95.6	35%	0.351	54%	0.539	S	S	.	.	H	α-helix	trans	-68.1	-42.1	171.5	0	0	0	0	0	112.2	L11 L12 A18 L19	L11-G15 PolarHBondContact O-N 3.14Å; L12-G15 PolarHBondContact O-N 3.24Å; G15-A18 PolarHBondContact O-N 2.96Å; G15-L19 WeakPolarHBondContact O-CB 3.1Å; G15-L19 WeakPolarHBondContact O-CD1 3.3Å; G15-L19 WeakPolarHBondContact O-CG 3.49Å; G15-L19 PolarHBondContact O-N 3.44Å
16	A	42	Very low	48.3	Very low	51 Å²	51	96.3 Å²	96.3	42%	0.421	54%	0.541	S	S	.	.	H	α-helix	trans	-66.3	-39.8	174.9	0	0	0	0	0	112.5	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.25Å; L12-A16 PolarHBondContact O-N 2.97Å; A16-L19 PolarHBondContact O-N 2.94Å; A16-T20 WeakPolarHBondContact O-CG2 3.38Å; A16-T20 PolarHBondContact O-N 3.35Å; A16-T20 PolarHBondContact O-OG1 2.92Å
17	L	34.8	Very low	50.4	Low	115 Å²	115	94.2 Å²	94.2	60%	0.602	52%	0.524	S	S	*	.	H	α-helix	trans	-67	-39.1	175.6	-77.7	163.8	0	0	0	112.4	L13 L19 T20 E21	L13-L17 WeakPolarHBondContact O-CB 3.34Å; L13-L17 WeakPolarHBondContact O-CD1 3.42Å; L13-L17 VanDerWaalsContact O-CG 3.29Å; L13-L17 WeakPolarHBondContact O-CG 3.42Å; L13-L17 PolarHBondContact O-N 3.06Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-T20 WeakPolarHBondContact CA-OG1 3.36Å; L17-T20 PolarHBondContact O-N 3.06Å; L17-T20 PolarHBondContact O-OG1 3.35Å; L17-E21 PolarHBondContact O-N 3.23Å; L17-E21 VanDerWaalsContact O-N 3.13Å
18	A	37.4	Very low	52.5	Low	58 Å²	58	84.7 Å²	84.7	48%	0.479	49%	0.492	S	S	.	.	H	α-helix	trans	-67.1	-32.1	173.7	0	0	0	0	0	112.7	S14 G15 T22	S14-A18 VanDerWaalsContact O-CB 3.31Å; S14-A18 WeakPolarHBondContact O-CB 3.33Å; S14-A18 PolarHBondContact O-N 2.98Å; G15-A18 PolarHBondContact O-N 2.96Å; A18-T22 PolarHBondContact O-OG1 3.5Å
19	L	37.6	Very low	54.7	Low	99 Å²	99	80 Å²	80	52%	0.518	46%	0.463	S	S	.	.	H	α-helix	trans	-73.5	-28.3	173.1	-86.4	155.6	0	0	0	113	G15 A16 L17 T22	G15-L19 WeakPolarHBondContact O-CB 3.1Å; G15-L19 WeakPolarHBondContact O-CD1 3.3Å; G15-L19 WeakPolarHBondContact O-CG 3.49Å; G15-L19 PolarHBondContact O-N 3.44Å; A16-L19 PolarHBondContact O-N 2.94Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L19-T22 PolarHBondContact O-OG1 2.89Å
20	T	36.8	Very low	57.3	Low	91 Å²	91	77.8 Å²	77.8	56%	0.558	45%	0.448	S	S	*	.	H	α-helix	trans	-82.8	-28	177.8	51.7	0	0	0	0	113.8	A16 L17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.38Å; A16-T20 PolarHBondContact O-N 3.35Å; A16-T20 PolarHBondContact O-OG1 2.92Å; L17-T20 WeakPolarHBondContact CA-OG1 3.36Å; L17-T20 PolarHBondContact O-N 3.06Å; L17-T20 PolarHBondContact O-OG1 3.35Å; T20-T22 VanDerWaalsContact C-N 3.33Å
21	E	37.9	Very low	59.7	Low	168 Å²	168	72.6 Å²	72.6	79%	0.785	42%	0.42	S	S	*	.	H	α-helix	trans	-73.1	-23.8	177.6	-95.5	-174.3	160.9	0	0	113.1	L17 W23	L17-E21 PolarHBondContact O-N 3.23Å; L17-E21 VanDerWaalsContact O-N 3.13Å; E21-W23 VanDerWaalsContact C-N 3.27Å; E21-W23 PolarHBondContact O-N 3.2Å
22	T	41.6	Very low	61.9	Low	108 Å²	108	70.7 Å²	70.7	66%	0.663	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-1.4	-179.8	48.9	0	0	0	0	114.3	A18 L19 T20	A18-T22 PolarHBondContact O-OG1 3.5Å; L19-T22 PolarHBondContact O-OG1 2.89Å; T20-T22 VanDerWaalsContact C-N 3.33Å
23	W	50.6	Low	64.3	Low	103 Å²	103	65.3 Å²	65.3	39%	0.39	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	6.3	-173.9	-81.7	72.5	0	0	0	114.1	E21 C25 H287 E288 L290	E21-W23 VanDerWaalsContact C-N 3.27Å; E21-W23 PolarHBondContact O-N 3.2Å; W23-C25 PolarHBondContact O-N 3.17Å; W23-H287 WeakPolarHBondContact CH2-O 3.5Å; W23-H287 VanDerWaalsContact CZ2-O 3.28Å; W23-H287 WeakPolarHBondContact CZ2-O 3.47Å; W23-E288 HydrophobicContact CE3-CG 4.26Å; W23-E288 WeakPolarHBondContact CH2-O 3.21Å; W23-E288 VanDerWaalsContact CZ3-C 3.48Å; W23-E288 HydrophobicContact CZ3-CG 4.23Å; W23-E288 WeakPolarHBondContact CZ3-O 3.34Å; W23-L290 WeakPolarHBondContact CH2-O 3.42Å; W23-L290 VanDerWaalsContact CZ2-O 3.31Å; W23-L290 WeakPolarHBondContact CZ2-O 3.25Å
24	A	53.8	Low	67	Low	47 Å²	47	62.7 Å²	62.7	39%	0.388	37%	0.366	S	S	.	.	S	Bend	trans	-81.6	104	174.5	0	0	0	0	0	107.8	S26 P129	A24-S26 PolarHBondContact O-N 3.08Å; A24-P129 HydrophobicContact CB-CB 3.81Å; A24-P129 HydrophobicContact CB-CG 3.17Å
25	C	72.1	Confident	69.6	Low	59 Å²	59	59.8 Å²	59.8	40%	0.399	35%	0.346	S	S	.	.			trans	-51.6	105.8	-173.6	-53.5	0	0	0	0	111.1	W23 E288	W23-C25 PolarHBondContact O-N 3.17Å; C25-E288 PolarHBondContact SG-OE1 3.17Å
26	S	89.8	Confident	72.1	Confident	72 Å²	72	60 Å²	60	50%	0.503	34%	0.341	S	S	.	.			trans	-90.2	144.7	167.5	58.6	0	0	0	0	109	A24 L127	A24-S26 PolarHBondContact O-N 3.08Å; S26-L127 VanDerWaalsContact CA-O 3.3Å; S26-L127 WeakPolarHBondContact CA-O 3.22Å; S26-L127 WeakPolarHBondContact CB-O 3.38Å
27	H	94.6	Very high	74.7	Confident	31 Å²	31	58.5 Å²	58.5	14%	0.144	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	152.7	177.9	-67.7	-75.9	0	0	0	110.7	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.39Å; H27-D53 IonicContact CE1-OD2 3.97Å; H27-D53 IonicContact CG-OD2 2.79Å; H27-D53 IonicContact ND1-OD1 3.88Å; H27-D53 IonicContact ND1-OD2 3.55Å; H27-D53 PolarHBondContact ND1-OD2 3.46Å; H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.3Å; H27-L127 PolarHBondContact N-O 2.82Å; H27-L127 VanDerWaalsContact N-O 3.16Å; H27-L127 PolarHBondContact O-N 2.66Å; H27-L192 HydrophobicContact CB-CD1 4.46Å; H27-L196 HydrophobicContact CB-CD1 3.65Å; H27-L196 HydrophobicContact CB-CD2 3.96Å; H27-L196 HydrophobicContact CB-CG 4.39Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.42Å
28	S	97.1	Very high	77.5	Confident	24 Å²	24	55.7 Å²	55.7	17%	0.168	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	150.3	-179.3	66.5	0	0	0	0	111.7	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.49Å; S28-D53 PolarHBondContact N-OD1 2.92Å; S28-D53 PolarHBondContact O-N 2.94Å; S28-D53 PolarHBondContact OG-OD1 3.01Å; S28-C125 CarbonylContact C-O 3.58Å; S28-C125 WeakPolarHBondContact CA-O 3.36Å; S28-D126 WeakPolarHBondContact CB-OD1 3.45Å
29	M	98.4	Very high	79.7	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	122.1	167.4	-175.3	171.9	61.4	0	0	108.1	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.19Å; M29-Y31 HydrophobicContact CG-CE2 4.1Å; M29-Y31 HydrophobicContact SD-CE2 4.04Å; M29-Y51 CarbonylContact C-O 3.56Å; M29-Y51 WeakPolarHBondContact CA-O 3.16Å; M29-V52 HydrophobicContact CG-CG2 4.31Å; M29-F57 HydrophobicContact CG-CE1 4.4Å; M29-F57 HydrophobicContact SD-CZ 4.37Å; M29-G124 CarbonylContact O-C 3.58Å; M29-G124 WeakPolarHBondContact O-CA 3.47Å; M29-C125 PolarHBondContact N-O 3Å; M29-C125 PolarHBondContact O-N 2.89Å; M29-C188 HydrophobicContact CE-CB 4.21Å; M29-C188 WeakPolarHBondContact CE-O 3.46Å; M29-C188 VanDerWaalsContact CE-SG 3.5Å; M29-W191 HydrophobicContact CE-CB 4Å; M29-W191 HydrophobicContact SD-CB 4.34Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.97Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.36Å; M29-L192 HydrophobicContact SD-CB 4.47Å; M29-Y195 HydrophobicContact SD-CD2 3.73Å; M29-Y195 HydrophobicContact SD-CE2 3.57Å; M29-Y195 VanDerWaalsContact SD-CE2 3.57Å
30	R	98.5	Very high	81.6	Confident	49 Å²	49	57.2 Å²	57.2	19%	0.185	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133.7	-175.6	-56.7	-64.4	-177.8	74.8	3.8	110.7	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.44Å; R30-F32 HydrophobicContact CB-CE2 3.6Å; R30-F32 HydrophobicContact CB-CZ 3.94Å; R30-G50 CarbonylContact O-C 3.58Å; R30-G50 WeakPolarHBondContact O-CA 3.49Å; R30-Y51 PolarHBondContact N-O 3.02Å; R30-Y51 PolarHBondContact O-N 3.34Å; R30-D126 IonicContact CZ-OD1 2.71Å; R30-D126 IonicContact NE-OD1 3.8Å; R30-D126 PolarHBondContact NE-OD1 3.41Å; R30-D126 VanDerWaalsContact NE-OD1 3.1Å; R30-D126 IonicContact NH2-OD1 3.56Å; R30-D126 PolarHBondContact NH2-OD1 3.26Å; R30-D126 IonicContact NH2-OD2 3.43Å; R30-D126 PolarHBondContact NH2-OD2 3.21Å; R30-Y137 PolarHBondContact NH2-OH 2.92Å
31	Y	98.7	Very high	83.6	Confident	7 Å²	7	62.9 Å²	62.9	3%	0.027	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	136.1	170.2	-70	-91.2	0	0	0	109.9	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.19Å; M29-Y31 HydrophobicContact CG-CE2 4.1Å; M29-Y31 HydrophobicContact SD-CE2 4.04Å; Y31-Y33 HydrophobicContact CD1-CE1 4.32Å; Y31-V49 CarbonylContact C-O 3.58Å; Y31-V49 WeakPolarHBondContact CA-O 3.16Å; Y31-F57 HydrophobicContact CE1-CZ 4Å; Y31-F57 AromaticContact CZ-CZ 3.74Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.41Å; Y31-V58 HydrophobicContact CE1-CG1 3.97Å; Y31-M122 WeakPolarHBondContact O-CA 3.46Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.48Å; Y31-Y123 HydrophobicContact CD2-CD2 4.39Å; Y31-Y123 AromaticContact CD2-CE2 3.62Å; Y31-Y123 HydrophobicContact CD2-CE2 3.62Å; Y31-Y123 AromaticContact CD2-CZ 3.81Å; Y31-Y123 HydrophobicContact CE2-CE2 4.4Å; Y31-Y123 HydrophobicContact CG-CE1 4.33Å; Y31-Y123 HydrophobicContact CG-CE2 4.04Å; Y31-Y123 AromaticContact CG-CZ 3.74Å; Y31-Y123 PolarHBondContact N-O 3.35Å; Y31-Y123 PolarHBondContact O-N 2.92Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å
32	F	98.8	Very high	85.8	Confident	84 Å²	84	57.5 Å²	57.5	37%	0.368	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	119	177.9	-56.9	-96.5	0	0	0	109.3	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.44Å; R30-F32 HydrophobicContact CB-CE2 3.6Å; R30-F32 HydrophobicContact CB-CZ 3.94Å; F32-A48 WeakPolarHBondContact O-CA 3.47Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 3.39Å; F32-V49 PolarHBondContact O-N 2.81Å; F32-Y51 HydrophobicContact CD2-CD2 4.15Å; F32-Y51 HydrophobicContact CE2-CD2 4.16Å; F32-R121 WeakPolarHBondContact CA-O 3.41Å; F32-M122 HydrophobicContact CD1-CB 4.02Å; F32-M122 HydrophobicContact CD1-CG 3.61Å; F32-M122 HydrophobicContact CE1-CB 4.15Å; F32-M122 HydrophobicContact CE1-CG 3.33Å; F32-M122 HydrophobicContact CG-CG 4.44Å; F32-M122 HydrophobicContact CZ-CG 3.96Å
33	Y	98.7	Very high	88.1	Confident	11 Å²	11	56.5 Å²	56.5	4%	0.043	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	137.9	177	-58.5	-17.4	0	0	0	109.7	Y31 F46 I47 A48 Y91 Q94 Q120 R121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.32Å; Y33-F46 HydrophobicContact CD1-CZ 4.26Å; Y33-F46 HydrophobicContact CD2-CE2 4.47Å; Y33-F46 HydrophobicContact CD2-CZ 4.14Å; Y33-F46 HydrophobicContact CG-CE2 4.23Å; Y33-F46 AromaticContact CG-CZ 3.92Å; Y33-F46 HydrophobicContact CG-CZ 3.92Å; Y33-I47 WeakPolarHBondContact CA-O 3.47Å; Y33-A48 HydrophobicContact CD1-CB 3.26Å; Y33-A48 HydrophobicContact CE1-CB 3.37Å; Y33-A48 HydrophobicContact CG-CB 4.27Å; Y33-Y91 HydrophobicContact CE1-CD1 4.15Å; Y33-Y91 AromaticContact CE1-CE1 3.83Å; Y33-Y91 HydrophobicContact CE1-CE1 3.83Å; Y33-Y91 AromaticContact CZ-CE1 3.98Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.29Å; Y33-Q94 HydrophobicContact CD2-CG 3.58Å; Y33-Q94 HydrophobicContact CE2-CB 4.42Å; Y33-Q94 HydrophobicContact CE2-CG 3.68Å; Y33-Q120 CarbonylContact O-C 3.46Å; Y33-Q120 VanDerWaalsContact O-CA 3.26Å; Y33-Q120 WeakPolarHBondContact O-CA 3.3Å; Y33-R121 PolarHBondContact N-O 3.35Å; Y33-R121 PolarHBondContact O-N 2.91Å; Y33-Y123 HydrophobicContact CD2-CE1 4.07Å; Y33-Y123 HydrophobicContact CE1-CE1 4.28Å; Y33-Y123 AromaticContact CE2-CE1 3.49Å; Y33-Y123 HydrophobicContact CE2-CE1 3.49Å; Y33-Y123 VanDerWaalsContact CE2-CE1 3.49Å; Y33-Y123 AromaticContact CZ-CE1 3.63Å; Y33-Y123 AromaticContact CZ-CZ 3.93Å; Y33-Y123 PolarHBondContact OH-OH 2.89Å
34	T	98.8	Very high	90.2	Very high	43 Å²	43	52.8 Å²	52.8	26%	0.264	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	122.5	176.3	-57.2	0	0	0	0	109	V36 F46 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 4Å; T34-F46 WeakPolarHBondContact O-CA 3.35Å; T34-I47 PolarHBondContact N-O 2.95Å; T34-I47 PolarHBondContact O-N 3.15Å; T34-T118 HydrophobicContact CG2-CG2 3.99Å; T34-L119 WeakPolarHBondContact CA-O 3.47Å; T34-Q120 HydrophobicContact CG2-CG 4.11Å
35	A	98.5	Very high	92.3	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.008	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.8	173.2	0	0	0	0	0	109.8	H45 F46 D98 L102 T118 L119	A35-H45 CarbonylContact C-O 3.6Å; A35-H45 VanDerWaalsContact CA-O 3.26Å; A35-H45 WeakPolarHBondContact CA-O 3.49Å; A35-F46 HydrophobicContact CB-CD2 4.17Å; A35-D98 HydrophobicContact CB-CB 3.67Å; A35-L102 HydrophobicContact CB-CD1 3.9Å; A35-T118 WeakPolarHBondContact O-CA 3.25Å; A35-L119 HydrophobicContact CB-CB 4.43Å; A35-L119 PolarHBondContact N-O 2.94Å; A35-L119 PolarHBondContact O-N 3.37Å
36	V	98.1	Very high	93.6	Very high	40 Å²	40	49.8 Å²	49.8	24%	0.242	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	116.1	-179.4	-173	0	0	0	0	109.1	T34 P44 H45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 4Å; V36-P44 CarbonylContact O-C 3.43Å; V36-P44 WeakPolarHBondContact O-CA 3.31Å; V36-P44 WeakPolarHBondContact O-CB 3.44Å; V36-H45 PolarHBondContact N-O 3.07Å; V36-H45 PolarHBondContact O-N 3.44Å; V36-H117 CarbonylContact C-O 3.41Å; V36-H117 WeakPolarHBondContact CA-O 3.31Å; V36-T118 HydrophobicContact CG2-CG2 4.2Å
37	S	96.4	Very high	94	Very high	19 Å²	19	48.6 Å²	48.6	13%	0.133	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	142.7	175.1	72.6	0	0	0	0	110.5	S116 H117	S37-S116 PolarHBondContact O-OG 2.86Å; S37-H117 PolarHBondContact N-O 3.49Å; S37-H117 PolarHBondContact OG-N 3.42Å; S37-H117 PolarHBondContact OG-O 2.95Å
38	R	93	Very high	94.2	Very high	56 Å²	56	47.1 Å²	47.1	21%	0.211	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	78.3	-177.9	-59.4	178.7	-69.1	-170.3	-5.8	110.2	S40 R41 G42 E43 D63	R38-S40 PolarHBondContact O-N 3.19Å; R38-R41 HydrophobicContact CB-CB 3.96Å; R38-R41 PolarHBondContact O-N 3Å; R38-G42 PolarHBondContact O-N 3.46Å; R38-E43 PolarHBondContact NE-O 2.86Å; R38-E43 PolarHBondContact NH2-O 2.85Å; R38-D63 IonicContact CZ-OD1 2.6Å; R38-D63 IonicContact CZ-OD2 3.34Å; R38-D63 IonicContact NH1-OD1 3.33Å; R38-D63 IonicContact NH1-OD2 3.1Å; R38-D63 PolarHBondContact NH1-OD2 2.93Å; R38-D63 IonicContact NH2-OD1 3.7Å; R38-D63 PolarHBondContact NH2-OD1 3.27Å; R38-D63 IonicContact NH2-OD2 2.75Å; R38-D63 PolarHBondContact NH2-OD2 2.8Å
39	P	83	Confident	94.3	Very high	65 Å²	65	47.1 Å²	47.1	42%	0.422	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-36	-172.4	-29.2	35.1	0	0	0	114.3	E113 G115	P39-E113 WeakPolarHBondContact CB-O 3.41Å; P39-E113 VanDerWaalsContact CG-O 3.26Å; P39-E113 WeakPolarHBondContact CG-O 3.4Å; P39-G115 WeakPolarHBondContact CG-O 3.39Å
40	S	79.1	Confident	94.3	Very high	124 Å²	124	47.1 Å²	47.1	87%	0.867	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-2.5	-179.2	-43.8	0	0	0	0	115.1	R38	R38-S40 PolarHBondContact O-N 3.19Å
41	R	78.9	Confident	94.3	Very high	209 Å²	209	48.1 Å²	48.1	79%	0.789	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.7	11.2	-175.4	-56.6	-172.9	175.7	-166.3	-0.3	114	R38	R38-R41 HydrophobicContact CB-CB 3.96Å; R38-R41 PolarHBondContact O-N 3Å
42	G	83.4	Confident	94.2	Very high	55 Å²	55	47.8 Å²	47.8	57%	0.567	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	93.4	-126.3	174.2	0	0	0	0	0	113.1	R38	R38-G42 PolarHBondContact O-N 3.46Å
43	E	90.1	Very high	94	Very high	87 Å²	87	45.1 Å²	45.1	41%	0.407	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	147.5	-173.6	-67.1	-57.2	154	0	0	112.9	R38 H45 R99	R38-E43 PolarHBondContact NE-O 2.86Å; R38-E43 PolarHBondContact NH2-O 2.85Å; E43-H45 PolarHBondContact O-N 2.88Å; E43-R99 VanDerWaalsContact CD-NE 3.32Å; E43-R99 IonicContact OE1-CZ 3Å; E43-R99 IonicContact OE1-NE 3.63Å; E43-R99 PolarHBondContact OE1-NE 3.31Å; E43-R99 IonicContact OE1-NH1 2.68Å; E43-R99 IonicContact OE1-NH2 3.38Å; E43-R99 PolarHBondContact OE1-NH2 3.48Å; E43-R99 WeakPolarHBondContact OE2-CD 3.32Å; E43-R99 IonicContact OE2-CZ 3.48Å; E43-R99 IonicContact OE2-NE 3.51Å; E43-R99 PolarHBondContact OE2-NE 3.17Å; E43-R99 IonicContact OE2-NH1 2.65Å; E43-R99 IonicContact OE2-NH2 3.43Å; E43-R99 PolarHBondContact OE2-NH2 2.67Å
44	P	94.7	Very high	93.8	Very high	25 Å²	25	47 Å²	47	16%	0.162	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	138.1	172.5	-25.3	35.6	0	0	0	111.6	V36 R99 L102	V36-P44 CarbonylContact O-C 3.43Å; V36-P44 WeakPolarHBondContact O-CA 3.31Å; V36-P44 WeakPolarHBondContact O-CB 3.44Å; P44-R99 HydrophobicContact CG-CB 4.2Å; P44-R99 HydrophobicContact CG-CG 4.12Å; P44-L102 HydrophobicContact CB-CD1 3.72Å; P44-L102 HydrophobicContact CG-CD1 3.85Å
45	H	97.6	Very high	93.7	Very high	40 Å²	40	46.5 Å²	46.5	19%	0.185	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	126.4	170.7	-170.3	-171.7	0	0	0	108.3	A35 V36 E43 D61 S62 D63	A35-H45 CarbonylContact C-O 3.6Å; A35-H45 VanDerWaalsContact CA-O 3.26Å; A35-H45 WeakPolarHBondContact CA-O 3.49Å; V36-H45 PolarHBondContact N-O 3.07Å; V36-H45 PolarHBondContact O-N 3.44Å; E43-H45 PolarHBondContact O-N 2.88Å; H45-D61 IonicContact CD2-OD1 2.74Å; H45-D61 IonicContact CE1-OD1 2.98Å; H45-D61 IonicContact NE2-OD1 3.23Å; H45-D61 PolarHBondContact NE2-OD1 2.9Å; H45-D61 IonicContact NE2-OD2 3.44Å; H45-S62 PolarHBondContact CD2-OG 3.32Å; H45-D63 VanDerWaalsContact CD2-CG 3.46Å; H45-D63 IonicContact CD2-OD1 3.43Å; H45-D63 IonicContact CD2-OD2 3.46Å; H45-D63 IonicContact CE1-OD2 2.92Å; H45-D63 IonicContact CG-OD2 2.7Å; H45-D63 IonicContact NE2-OD2 3.7Å
46	F	98.5	Very high	93.6	Very high	3 Å²	3	48.8 Å²	48.8	1%	0.013	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.6	176.1	178.5	-94.1	0	0	0	110.6	Y33 T34 A35 A48 F60 S62 Q94 A95 D98	Y33-F46 HydrophobicContact CD1-CZ 4.26Å; Y33-F46 HydrophobicContact CD2-CE2 4.47Å; Y33-F46 HydrophobicContact CD2-CZ 4.14Å; Y33-F46 HydrophobicContact CG-CE2 4.23Å; Y33-F46 AromaticContact CG-CZ 3.92Å; Y33-F46 HydrophobicContact CG-CZ 3.92Å; T34-F46 WeakPolarHBondContact O-CA 3.35Å; A35-F46 HydrophobicContact CB-CD2 4.17Å; F46-A48 HydrophobicContact CE1-CB 3.76Å; F46-A48 HydrophobicContact CZ-CB 4Å; F46-F60 AromaticContact CD1-CD1 3.76Å; F46-F60 HydrophobicContact CD1-CD1 3.76Å; F46-F60 AromaticContact CD1-CE1 3.8Å; F46-F60 HydrophobicContact CD1-CE1 3.8Å; F46-F60 AromaticContact CE1-CD1 3.97Å; F46-F60 HydrophobicContact CE1-CD1 3.97Å; F46-F60 HydrophobicContact CE1-CE1 4.29Å; F46-S62 PolarHBondContact N-OG 2.81Å; F46-S62 WeakPolarHBondContact O-CB 3.42Å; F46-S62 PolarHBondContact O-N 3.35Å; F46-S62 PolarHBondContact O-OG 2.82Å; F46-Q94 HydrophobicContact CE2-CB 4.46Å; F46-Q94 HydrophobicContact CE2-CG 3.85Å; F46-Q94 HydrophobicContact CZ-CB 4.02Å; F46-Q94 HydrophobicContact CZ-CG 3.72Å; F46-A95 HydrophobicContact CB-CB 3.75Å; F46-A95 HydrophobicContact CD1-CB 3.72Å; F46-A95 HydrophobicContact CD2-CB 4.15Å; F46-A95 HydrophobicContact CE1-CB 4.34Å; F46-A95 HydrophobicContact CG-CB 3.6Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.17Å
47	I	98.6	Very high	93.6	Very high	47 Å²	47	46.9 Å²	46.9	24%	0.241	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135.1	173.7	-58.9	174.2	0	0	0	108.1	Y33 T34 V49 F60	Y33-I47 WeakPolarHBondContact CA-O 3.47Å; T34-I47 PolarHBondContact N-O 2.95Å; T34-I47 PolarHBondContact O-N 3.15Å; I47-V49 HydrophobicContact CG2-CG1 4.3Å; I47-F60 WeakPolarHBondContact CA-O 3.4Å
48	A	98.7	Very high	93.7	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	136.8	170.4	0	0	0	0	0	110.2	F32 Y33 F46 R59 F60 Y91	F32-A48 WeakPolarHBondContact O-CA 3.47Å; Y33-A48 HydrophobicContact CD1-CB 3.26Å; Y33-A48 HydrophobicContact CE1-CB 3.37Å; Y33-A48 HydrophobicContact CG-CB 4.27Å; F46-A48 HydrophobicContact CE1-CB 3.76Å; F46-A48 HydrophobicContact CZ-CB 4Å; A48-R59 CarbonylContact O-C 3.56Å; A48-R59 WeakPolarHBondContact O-CA 3.38Å; A48-F60 HydrophobicContact CB-CB 4.22Å; A48-F60 PolarHBondContact N-O 3.19Å; A48-F60 PolarHBondContact O-N 2.84Å; A48-Y91 HydrophobicContact CB-CD1 3.63Å; A48-Y91 HydrophobicContact CB-CE1 3.73Å; A48-Y91 HydrophobicContact CB-CG 4.42Å
49	V	98.8	Very high	93.9	Very high	24 Å²	24	47.1 Å²	47.1	15%	0.145	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.7	173.5	-61.9	0	0	0	0	109.9	Y31 F32 I47 Y51 V58 R59	Y31-V49 CarbonylContact C-O 3.58Å; Y31-V49 WeakPolarHBondContact CA-O 3.16Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 3.39Å; F32-V49 PolarHBondContact O-N 2.81Å; I47-V49 HydrophobicContact CG2-CG1 4.3Å; V49-Y51 HydrophobicContact CB-CE2 4.14Å; V49-Y51 HydrophobicContact CG2-CD2 4.4Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; V49-V58 WeakPolarHBondContact CA-O 3.03Å; V49-R59 HydrophobicContact CG1-CG 4.29Å
50	G	98.6	Very high	94.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140.3	176	0	0	0	0	0	110.9	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.58Å; R30-G50 WeakPolarHBondContact O-CA 3.49Å; G50-Q56 WeakPolarHBondContact O-CA 3.36Å; G50-F57 WeakPolarHBondContact O-CD1 3.26Å; G50-F57 PolarHBondContact O-N 2.93Å; G50-V58 PolarHBondContact N-O 2.79Å; G50-V58 PolarHBondContact O-N 2.97Å
51	Y	98.4	Very high	95.6	Very high	71 Å²	71	39.6 Å²	39.6	28%	0.278	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	141.9	179.9	-74.6	-102.7	0	0	0	110.1	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.56Å; M29-Y51 WeakPolarHBondContact CA-O 3.16Å; R30-Y51 PolarHBondContact N-O 3.02Å; R30-Y51 PolarHBondContact O-N 3.34Å; F32-Y51 HydrophobicContact CD2-CD2 4.15Å; F32-Y51 HydrophobicContact CE2-CD2 4.16Å; V49-Y51 HydrophobicContact CB-CE2 4.14Å; V49-Y51 HydrophobicContact CG2-CD2 4.4Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; Y51-T55 WeakPolarHBondContact CA-O 3.32Å; Y51-T55 VanDerWaalsContact CD1-C 3.47Å; Y51-Q56 HydrophobicContact CD1-CB 3.99Å; Y51-Q56 VanDerWaalsContact CD1-N 3.28Å; Y51-Q56 HydrophobicContact CD2-CG 4.39Å; Y51-Q56 HydrophobicContact CE1-CB 3.49Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.49Å; Y51-Q56 HydrophobicContact CE1-CG 4.21Å; Y51-Q56 HydrophobicContact CE2-CB 4.12Å; Y51-Q56 HydrophobicContact CE2-CG 3.9Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å
52	V	97.9	Very high	96.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.6	156.1	176.5	0	0	0	0	105.7	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.49Å; M29-V52 HydrophobicContact CG-CG2 4.31Å; V52-D54 PolarHBondContact O-N 2.93Å; V52-T55 PolarHBondContact N-O 3.04Å; V52-T55 PolarHBondContact O-N 2.95Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4.04Å; V52-W75 HydrophobicContact CB-CH2 4.34Å; V52-W75 HydrophobicContact CB-CZ2 4.4Å; V52-W75 HydrophobicContact CG2-CH2 3.84Å; V52-W75 HydrophobicContact CG2-CZ2 4.39Å; V52-L192 HydrophobicContact CG1-CD1 3.59Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; V52-Y195 HydrophobicContact CG2-CD2 3.91Å; V52-Y195 HydrophobicContact CG2-CG 4.4Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.19Å; V52-L203 HydrophobicContact CG1-CD1 3.85Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å
53	D	94.9	Very high	97.1	Very high	27 Å²	27	32.6 Å²	32.6	14%	0.144	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	-122.7	-166.7	-54.5	-40.4	0	0	0	110.2	H27 S28	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.39Å; H27-D53 IonicContact CE1-OD2 3.97Å; H27-D53 IonicContact CG-OD2 2.79Å; H27-D53 IonicContact ND1-OD1 3.88Å; H27-D53 IonicContact ND1-OD2 3.55Å; H27-D53 PolarHBondContact ND1-OD2 3.46Å; S28-D53 PolarHBondContact N-OD1 2.92Å; S28-D53 PolarHBondContact O-N 2.94Å; S28-D53 PolarHBondContact OG-OD1 3.01Å
54	D	94.3	Very high	97.4	Very high	51 Å²	51	30 Å²	30	27%	0.273	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	10.8	179.8	-59.8	-54.4	0	0	0	113.6	V52 Y233 P234 T235 F265	V52-D54 PolarHBondContact O-N 2.93Å; D54-Y233 HydrophobicContact CB-CE2 4.11Å; D54-P234 VanDerWaalsContact OD2-CB 3.3Å; D54-P234 WeakPolarHBondContact OD2-CB 3.41Å; D54-T235 VanDerWaalsContact CG-CG2 3.43Å; D54-T235 WeakPolarHBondContact OD1-CG2 3.43Å; D54-T235 WeakPolarHBondContact OD2-CB 3.42Å; D54-T235 VanDerWaalsContact OD2-CG2 3.29Å; D54-T235 WeakPolarHBondContact OD2-CG2 3.3Å; D54-T235 PolarHBondContact OD2-N 2.98Å; D54-F265 HydrophobicContact CB-CE2 3.8Å; D54-F265 HydrophobicContact CB-CZ 3.7Å
55	T	95.4	Very high	97.5	Very high	32 Å²	32	34.4 Å²	34.4	20%	0.196	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	112.9	-176.2	-59.2	0	0	0	0	111.9	Y51 V52 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.32Å; Y51-T55 VanDerWaalsContact CD1-C 3.47Å; V52-T55 PolarHBondContact N-O 3.04Å; V52-T55 PolarHBondContact O-N 2.95Å; T55-F57 PolarHBondContact O-N 3.28Å; T55-A73 HydrophobicContact CG2-CB 4.41Å; T55-L203 HydrophobicContact CG2-CD2 4.19Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.26Å; T55-Y233 PolarHBondContact OG1-OH 3.38Å; T55-Y233 VanDerWaalsContact OG1-OH 3.05Å
56	Q	96.9	Very high	97.4	Very high	49 Å²	49	36.3 Å²	36.3	23%	0.229	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	127	173.8	-166.3	-179.9	-0.1	0	0	110.1	G50 Y51 V58 R72	G50-Q56 WeakPolarHBondContact O-CA 3.36Å; Y51-Q56 HydrophobicContact CD1-CB 3.99Å; Y51-Q56 VanDerWaalsContact CD1-N 3.28Å; Y51-Q56 HydrophobicContact CD2-CG 4.39Å; Y51-Q56 HydrophobicContact CE1-CB 3.49Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.49Å; Y51-Q56 HydrophobicContact CE1-CG 4.21Å; Y51-Q56 HydrophobicContact CE2-CB 4.12Å; Y51-Q56 HydrophobicContact CE2-CG 3.9Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å; Q56-V58 PolarHBondContact NE2-O 2.8Å; Q56-R72 HydrophobicContact CB-CB 4.45Å; Q56-R72 HydrophobicContact CG-CB 4.1Å; Q56-R72 HydrophobicContact CG-CG 4.34Å; Q56-R72 CarbonylContact O-C 3.51Å
57	F	97.9	Very high	97.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-20.5	179.4	75.7	-88.4	0	0	0	114	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.4Å; M29-F57 HydrophobicContact SD-CZ 4.37Å; Y31-F57 HydrophobicContact CE1-CZ 4Å; Y31-F57 AromaticContact CZ-CZ 3.74Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.41Å; G50-F57 WeakPolarHBondContact O-CD1 3.26Å; G50-F57 PolarHBondContact O-N 2.93Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4.04Å; T55-F57 PolarHBondContact O-N 3.28Å; F57-R72 PolarHBondContact O-N 3.28Å; F57-A73 HydrophobicContact CB-CB 4.12Å; F57-W75 HydrophobicContact CB-CH2 3.1Å; F57-W75 HydrophobicContact CB-CZ2 3.37Å; F57-W75 HydrophobicContact CB-CZ3 3.88Å; F57-W75 AromaticContact CD1-CH2 3.95Å; F57-W75 HydrophobicContact CD1-CH2 3.95Å; F57-W75 AromaticContact CD2-CH2 3.95Å; F57-W75 HydrophobicContact CD2-CH2 3.95Å; F57-W75 HydrophobicContact CD2-CZ3 4.18Å; F57-W75 AromaticContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CH2 3.43Å; F57-W75 VanDerWaalsContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CZ2 4.16Å; F57-W75 HydrophobicContact CG-CZ3 4.11Å; F57-V76 HydrophobicContact CB-CG1 4.36Å; F57-V76 HydrophobicContact CD2-CB 4.42Å; F57-V76 HydrophobicContact CD2-CG1 4.49Å; F57-V76 HydrophobicContact CD2-CG2 4.11Å; F57-V76 VanDerWaalsContact O-CG1 3.26Å; F57-V76 WeakPolarHBondContact O-CG1 3.09Å; F57-Y195 HydrophobicContact CE2-CD2 4.48Å; F57-Y195 AromaticContact CE2-CE2 3.8Å; F57-Y195 HydrophobicContact CE2-CE2 3.8Å; F57-Y195 AromaticContact CE2-CZ 3.96Å; F57-Y195 HydrophobicContact CZ-CD2 4.38Å; F57-Y195 AromaticContact CZ-CE2 3.81Å; F57-Y195 HydrophobicContact CZ-CE2 3.81Å
58	V	98.3	Very high	97.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	148	179.6	64.7	0	0	0	0	112	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG1 3.97Å; V49-V58 WeakPolarHBondContact CA-O 3.03Å; G50-V58 PolarHBondContact N-O 2.79Å; G50-V58 PolarHBondContact O-N 2.97Å; Q56-V58 PolarHBondContact NE2-O 2.8Å; V58-E70 WeakPolarHBondContact CA-O 3.43Å; V58-W84 HydrophobicContact CG2-CZ3 4.09Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.32Å; V58-Y91 HydrophobicContact CG2-CE2 4.14Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.33Å
59	R	98.4	Very high	97.2	Very high	80 Å²	80	43 Å²	43	30%	0.302	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	145.6	170	-179.1	174.7	170.8	130.2	1.6	110.5	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.56Å; A48-R59 WeakPolarHBondContact O-CA 3.38Å; V49-R59 HydrophobicContact CG1-CG 4.29Å; R59-D61 IonicContact CZ-OD2 3.01Å; R59-D61 IonicContact NH2-OD2 2.74Å; R59-D61 PolarHBondContact NH2-OD2 2.84Å; R59-E70 PolarHBondContact N-O 3.48Å; R59-E70 PolarHBondContact O-N 2.89Å; R59-R72 HydrophobicContact CB-CG 3.9Å
60	F	98.7	Very high	97.1	Very high	3 Å²	3	44.5 Å²	44.5	1%	0.013	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	140.5	164.2	175	-81.8	0	0	0	108.9	F46 I47 A48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.76Å; F46-F60 HydrophobicContact CD1-CD1 3.76Å; F46-F60 AromaticContact CD1-CE1 3.8Å; F46-F60 HydrophobicContact CD1-CE1 3.8Å; F46-F60 AromaticContact CE1-CD1 3.97Å; F46-F60 HydrophobicContact CE1-CD1 3.97Å; F46-F60 HydrophobicContact CE1-CE1 4.29Å; I47-F60 WeakPolarHBondContact CA-O 3.4Å; A48-F60 HydrophobicContact CB-CB 4.22Å; A48-F60 PolarHBondContact N-O 3.19Å; A48-F60 PolarHBondContact O-N 2.84Å; F60-P67 HydrophobicContact CE2-CB 3.88Å; F60-P67 HydrophobicContact CZ-CB 3.68Å; F60-R68 VanDerWaalsContact CD2-C 3.49Å; F60-R68 WeakPolarHBondContact CD2-O 3.37Å; F60-Y91 HydrophobicContact CB-CD1 4.38Å; F60-Y91 HydrophobicContact CB-CD2 3.56Å; F60-Y91 HydrophobicContact CB-CE2 4.06Å; F60-Y91 HydrophobicContact CB-CG 3.76Å; F60-Y91 HydrophobicContact CD1-CG 4.41Å; F60-Y91 AromaticContact CD2-CD2 3.76Å; F60-Y91 HydrophobicContact CD2-CD2 3.76Å; F60-Y91 HydrophobicContact CD2-CG 4Å; F60-Y91 AromaticContact CG-CD2 3.83Å; F60-Y91 HydrophobicContact CG-CD2 3.83Å; F60-Y91 AromaticContact CG-CG 3.81Å; F60-Y91 HydrophobicContact CG-CG 3.81Å; F60-K92 HydrophobicContact CE2-CG 4.19Å; F60-K92 HydrophobicContact CZ-CG 4Å
61	D	98.5	Very high	97.1	Very high	29 Å²	29	46.8 Å²	46.8	16%	0.155	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	119	178.8	-164	-35.2	0	0	0	109.3	H45 R59 D63 A64	H45-D61 IonicContact CD2-OD1 2.74Å; H45-D61 IonicContact CE1-OD1 2.98Å; H45-D61 IonicContact NE2-OD1 3.23Å; H45-D61 PolarHBondContact NE2-OD1 2.9Å; H45-D61 IonicContact NE2-OD2 3.44Å; R59-D61 IonicContact CZ-OD2 3.01Å; R59-D61 IonicContact NH2-OD2 2.74Å; R59-D61 PolarHBondContact NH2-OD2 2.84Å; D61-D63 PolarHBondContact O-N 2.95Å; D61-D63 PolarHBondContact OD1-N 2.89Å; D61-D63 VanDerWaalsContact OD1-N 3.07Å; D61-A64 HydrophobicContact CB-CB 4.34Å; D61-A64 WeakPolarHBondContact O-CB 3.39Å; D61-A64 PolarHBondContact O-N 2.92Å
62	S	97.6	Very high	97	Very high	34 Å²	34	49.2 Å²	49.2	24%	0.238	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-21.1	-177.9	70.3	0	0	0	0	113.6	H45 F46 P67	H45-S62 PolarHBondContact CD2-OG 3.32Å; F46-S62 PolarHBondContact N-OG 2.81Å; F46-S62 WeakPolarHBondContact O-CB 3.42Å; F46-S62 PolarHBondContact O-N 3.35Å; F46-S62 PolarHBondContact O-OG 2.82Å; S62-P67 WeakPolarHBondContact O-CG 3.31Å
63	D	95.9	Very high	96.9	Very high	82 Å²	82	49.5 Å²	49.5	44%	0.439	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-4.3	-179.1	-76.7	10.8	0	0	0	112.4	R38 H45 D61	R38-D63 IonicContact CZ-OD1 2.6Å; R38-D63 IonicContact CZ-OD2 3.34Å; R38-D63 IonicContact NH1-OD1 3.33Å; R38-D63 IonicContact NH1-OD2 3.1Å; R38-D63 PolarHBondContact NH1-OD2 2.93Å; R38-D63 IonicContact NH2-OD1 3.7Å; R38-D63 PolarHBondContact NH2-OD1 3.27Å; R38-D63 IonicContact NH2-OD2 2.75Å; R38-D63 PolarHBondContact NH2-OD2 2.8Å; H45-D63 VanDerWaalsContact CD2-CG 3.46Å; H45-D63 IonicContact CD2-OD1 3.43Å; H45-D63 IonicContact CD2-OD2 3.46Å; H45-D63 IonicContact CE1-OD2 2.92Å; H45-D63 IonicContact CG-OD2 2.7Å; H45-D63 IonicContact NE2-OD2 3.7Å; D61-D63 PolarHBondContact O-N 2.95Å; D61-D63 PolarHBondContact OD1-N 2.89Å; D61-D63 VanDerWaalsContact OD1-N 3.07Å
64	A	96.5	Very high	96.9	Very high	32 Å²	32	52.9 Å²	52.9	26%	0.264	30%	0.295	S	S	.	.	S	Bend	trans	-60.7	149.5	173.3	0	0	0	0	0	111.1	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.34Å; D61-A64 WeakPolarHBondContact O-CB 3.39Å; D61-A64 PolarHBondContact O-N 2.92Å; A64-S66 PolarHBondContact O-N 2.9Å; A64-S66 VanDerWaalsContact O-N 3.14Å; A64-P67 WeakPolarHBondContact O-CD 3.4Å; A64-P67 VanDerWaalsContact O-CG 3.28Å; A64-P67 WeakPolarHBondContact O-CG 2.93Å
65	A	96.3	Very high	97	Very high	118 Å²	118	51.1 Å²	51.1	98%	0.975	29%	0.285	S	S	*	.	S	Bend	trans	-58.3	-30.7	179.8	0	0	0	0	0	113.1
66	S	95.6	Very high	97.1	Very high	80 Å²	80	49.6 Å²	49.6	56%	0.559	28%	0.276	S	S	*	.	S	Bend	trans	-134.7	88.9	171.8	-173.5	0	0	0	0	109.2	A64 R68	A64-S66 PolarHBondContact O-N 2.9Å; A64-S66 VanDerWaalsContact O-N 3.14Å; S66-R68 PolarHBondContact O-N 2.8Å; S66-R68 VanDerWaalsContact O-N 3.09Å
67	P	96.8	Very high	97	Very high	35 Å²	35	53.2 Å²	53.2	23%	0.227	29%	0.292	C	S	.	.			trans	-64.3	112.5	-175.4	-24.5	35.7	0	0	0	111.9	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.88Å; F60-P67 HydrophobicContact CZ-CB 3.68Å; S62-P67 WeakPolarHBondContact O-CG 3.31Å; A64-P67 WeakPolarHBondContact O-CD 3.4Å; A64-P67 VanDerWaalsContact O-CG 3.28Å; A64-P67 WeakPolarHBondContact O-CG 2.93Å; P67-K92 WeakPolarHBondContact O-CE 3.44Å; P67-K92 PolarHBondContact O-NZ 2.93Å
68	R	97.6	Very high	96.8	Very high	151 Å²	151	59.1 Å²	59.1	57%	0.57	32%	0.32	S	S	*	.			trans	-147.3	160.3	177.3	63.2	-176.4	171.4	176.4	-0.7	110.9	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.49Å; F60-R68 WeakPolarHBondContact CD2-O 3.37Å; S66-R68 PolarHBondContact O-N 2.8Å; S66-R68 VanDerWaalsContact O-N 3.09Å; R68-E70 HydrophobicContact CG-CG 4.31Å; R68-E70 PolarHBondContact O-N 3.39Å; R68-T88 HydrophobicContact CB-CG2 4.17Å
69	G	97.3	Very high	96.7	Very high	5 Å²	5	59.7 Å²	59.7	5%	0.052	32%	0.323	C	S	.	.			trans	-65.6	128.8	168.2	0	0	0	0	0	109.3	T88	G69-T88 PolarHBondContact N-OG1 2.68Å
70	E	97.5	Very high	96.6	Very high	56 Å²	56	57.6 Å²	57.6	26%	0.262	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133	-178.7	-64.9	178.1	163.7	0	0	109.8	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.43Å; R59-E70 PolarHBondContact N-O 3.48Å; R59-E70 PolarHBondContact O-N 2.89Å; R68-E70 HydrophobicContact CG-CG 4.31Å; R68-E70 PolarHBondContact O-N 3.39Å; E70-R72 IonicContact OE2-CZ 2.84Å; E70-R72 IonicContact OE2-NH2 3.6Å; E70-R72 PolarHBondContact OE2-NH2 3.13Å
71	P	97.8	Very high	96.5	Very high	48 Å²	48	62.1 Å²	62.1	31%	0.312	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	143.8	172.8	28.4	-33.8	0	0	0	110.5	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.76Å; P71-E77 HydrophobicContact CB-CG 3.7Å; P71-E77 HydrophobicContact CG-CG 3.94Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 3.77Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; P71-W84 HydrophobicContact CG-CZ2 4.23Å
72	R	97.1	Very high	96.5	Very high	122 Å²	122	68.7 Å²	68.7	46%	0.46	39%	0.385	S	S	.	.			trans	-126.1	-0.9	174.9	-60.8	-64.5	172	174.8	-2.4	113	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.45Å; Q56-R72 HydrophobicContact CG-CB 4.1Å; Q56-R72 HydrophobicContact CG-CG 4.34Å; Q56-R72 CarbonylContact O-C 3.51Å; F57-R72 PolarHBondContact O-N 3.28Å; R59-R72 HydrophobicContact CB-CG 3.9Å; E70-R72 IonicContact OE2-CZ 2.84Å; E70-R72 IonicContact OE2-NH2 3.6Å; E70-R72 PolarHBondContact OE2-NH2 3.13Å
73	A	95.6	Very high	96.4	Very high	5 Å²	5	67.6 Å²	67.6	4%	0.041	38%	0.376	C	S	.	.	S	Bend	trans	-137.6	143.9	173.2	0	0	0	0	0	110.8	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.41Å; F57-A73 HydrophobicContact CB-CB 4.12Å; A73-W75 VanDerWaalsContact C-N 3.3Å; A73-W75 HydrophobicContact CB-CD2 4.14Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 3.98Å; A73-W75 PolarHBondContact O-N 3.23Å; A73-V76 VanDerWaalsContact O-CG1 3.22Å; A73-V76 WeakPolarHBondContact O-CG1 3.48Å; A73-V76 PolarHBondContact O-N 2.98Å
74	P	95.8	Very high	96.5	Very high	98 Å²	98	65.4 Å²	65.4	64%	0.636	36%	0.362	S	S	*	.	H	α-helix	trans	-58.2	-38	-177.4	-26.5	34.8	0	0	0	114	V76 E77	P74-V76 PolarHBondContact O-N 3.32Å; P74-E77 WeakPolarHBondContact O-CB 3.36Å; P74-E77 PolarHBondContact O-N 2.91Å
75	W	95.6	Very high	96.6	Very high	15 Å²	15	69 Å²	69	6%	0.057	38%	0.376	C	S	.	.	H	α-helix	trans	-69.2	-13.4	-176.1	53.4	-107.2	0	0	0	114.6	V52 F57 A73 Q78 Y195 N198 T202 L203	V52-W75 HydrophobicContact CB-CH2 4.34Å; V52-W75 HydrophobicContact CB-CZ2 4.4Å; V52-W75 HydrophobicContact CG2-CH2 3.84Å; V52-W75 HydrophobicContact CG2-CZ2 4.39Å; F57-W75 HydrophobicContact CB-CH2 3.1Å; F57-W75 HydrophobicContact CB-CZ2 3.37Å; F57-W75 HydrophobicContact CB-CZ3 3.88Å; F57-W75 AromaticContact CD1-CH2 3.95Å; F57-W75 HydrophobicContact CD1-CH2 3.95Å; F57-W75 AromaticContact CD2-CH2 3.95Å; F57-W75 HydrophobicContact CD2-CH2 3.95Å; F57-W75 HydrophobicContact CD2-CZ3 4.18Å; F57-W75 AromaticContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CH2 3.43Å; F57-W75 VanDerWaalsContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CZ2 4.16Å; F57-W75 HydrophobicContact CG-CZ3 4.11Å; A73-W75 VanDerWaalsContact C-N 3.3Å; A73-W75 HydrophobicContact CB-CD2 4.14Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 3.98Å; A73-W75 PolarHBondContact O-N 3.23Å; W75-Q78 WeakPolarHBondContact O-CG 3.4Å; W75-Y195 HydrophobicContact CE3-CD1 4.23Å; W75-Y195 HydrophobicContact CE3-CG 4.47Å; W75-Y195 HydrophobicContact CH2-CG 4.13Å; W75-Y195 AromaticContact CZ3-CD1 3.58Å; W75-Y195 HydrophobicContact CZ3-CD1 3.58Å; W75-Y195 HydrophobicContact CZ3-CD2 4.3Å; W75-Y195 HydrophobicContact CZ3-CE1 4.3Å; W75-Y195 AromaticContact CZ3-CG 3.58Å; W75-Y195 HydrophobicContact CZ3-CG 3.58Å; W75-N198 HydrophobicContact CB-CB 4.37Å; W75-N198 WeakPolarHBondContact CB-O 3.35Å; W75-T202 VanDerWaalsContact CD1-OG1 3.26Å; W75-L203 HydrophobicContact CD2-CD1 4.45Å; W75-L203 HydrophobicContact CH2-CD1 4.44Å; W75-L203 HydrophobicContact CZ2-CD1 3.88Å; W75-L203 HydrophobicContact CZ2-CD2 4.2Å; W75-L203 HydrophobicContact CZ2-CG 4.46Å
76	V	97	Very high	96.6	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-94.8	-15.7	172.5	73.4	0	0	0	0	112.1	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.36Å; F57-V76 HydrophobicContact CD2-CB 4.42Å; F57-V76 HydrophobicContact CD2-CG1 4.49Å; F57-V76 HydrophobicContact CD2-CG2 4.11Å; F57-V76 VanDerWaalsContact O-CG1 3.26Å; F57-V76 WeakPolarHBondContact O-CG1 3.09Å; P71-V76 HydrophobicContact CB-CG1 3.76Å; A73-V76 VanDerWaalsContact O-CG1 3.22Å; A73-V76 WeakPolarHBondContact O-CG1 3.48Å; A73-V76 PolarHBondContact O-N 2.98Å; P74-V76 PolarHBondContact O-N 3.32Å; V76-Q78 PolarHBondContact O-N 3.47Å; V76-E79 HydrophobicContact CG2-CG 3.89Å; V76-E79 WeakPolarHBondContact O-CB 3.2Å; V76-E79 WeakPolarHBondContact O-CG 3.33Å; V76-E79 PolarHBondContact O-N 3.18Å; V76-Y83 HydrophobicContact CG2-CE1 4.09Å; V76-W84 HydrophobicContact CG1-CH2 4.01Å; V76-W84 HydrophobicContact CG1-CZ2 4.21Å; V76-W84 HydrophobicContact CG2-CH2 3.97Å; V76-W84 HydrophobicContact CG2-CZ2 3.99Å; V76-W84 WeakPolarHBondContact O-CZ2 3.06Å; V76-Y195 HydrophobicContact CG2-CE1 4.38Å
77	E	95.4	Very high	96.7	Very high	124 Å²	124	64.8 Å²	64.8	58%	0.579	32%	0.323	S	S	*	.	H	α-helix	trans	-63.9	-25.6	-180	-65.3	-177.1	-179.1	0	0	112.7	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.7Å; P71-E77 HydrophobicContact CG-CG 3.94Å; P74-E77 WeakPolarHBondContact O-CB 3.36Å; P74-E77 PolarHBondContact O-N 2.91Å; E77-E79 PolarHBondContact O-N 3.45Å
78	Q	94.4	Very high	96.8	Very high	125 Å²	125	63.6 Å²	63.6	58%	0.584	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-11.5	175.2	67.2	-178.9	16.4	0	0	114.1	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.4Å; V76-Q78 PolarHBondContact O-N 3.47Å; Q78-N198 VanDerWaalsContact NE2-CB 3.27Å; Q78-N198 PolarHBondContact NE2-ND2 2.86Å; Q78-N198 PolarHBondContact NE2-OD1 3.09Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.12Å
79	E	96.4	Very high	96.8	Very high	12 Å²	12	61.3 Å²	61.3	6%	0.056	31%	0.311	C	S	.	.	S	Bend	trans	-65.9	135.9	174.8	-65.9	-62.2	162.8	0	0	110.9	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.89Å; V76-E79 WeakPolarHBondContact O-CB 3.2Å; V76-E79 WeakPolarHBondContact O-CG 3.33Å; V76-E79 PolarHBondContact O-N 3.18Å; E77-E79 PolarHBondContact O-N 3.45Å; E79-Y83 HydrophobicContact CB-CD1 3.46Å; E79-Y83 VanDerWaalsContact CB-CD1 3.46Å; E79-Y83 HydrophobicContact CB-CD2 4.48Å; E79-Y83 HydrophobicContact CB-CE1 4.06Å; E79-Y83 HydrophobicContact CB-CG 3.72Å; E79-Y83 HydrophobicContact CG-CD1 4Å; E79-Y83 HydrophobicContact CG-CD2 4.43Å; E79-Y83 HydrophobicContact CG-CE1 4.18Å; E79-Y83 HydrophobicContact CG-CG 4.14Å; E79-W84 PolarHBondContact O-NE1 2.81Å; E79-W84 VanDerWaalsContact O-NE1 3.08Å; E79-R194 IonicContact OE1-CZ 2.75Å; E79-R194 IonicContact OE1-NE 3.27Å; E79-R194 PolarHBondContact OE1-NE 3.41Å; E79-R194 IonicContact OE1-NH2 3.71Å; E79-R194 PolarHBondContact OE1-NH2 2.96Å; E79-R194 IonicContact OE2-CZ 3.71Å; E79-R194 IonicContact OE2-NE 3.64Å; E79-R194 IonicContact OE2-NH2 3.82Å; E79-R194 PolarHBondContact OE2-NH2 3.16Å; E79-N198 PolarHBondContact OE1-ND2 3.41Å
80	G	95.7	Very high	96.8	Very high	35 Å²	35	63.8 Å²	63.8	36%	0.361	32%	0.321	S	S	.	.			trans	-69.8	169.3	-174.5	0	0	0	0	0	114.3	E82 Y83 W84	G80-E82 PolarHBondContact O-N 3Å; G80-Y83 WeakPolarHBondContact O-CB 3.43Å; G80-Y83 PolarHBondContact O-N 2.89Å; G80-W84 PolarHBondContact O-N 2.97Å
81	P	96.5	Very high	96.9	Very high	98 Å²	98	61.1 Å²	61.1	64%	0.636	31%	0.308	S	S	*	.	H	α-helix	trans	-57.8	-35	-178.9	23	-33.5	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 2.94Å; P81-W84 PolarHBondContact O-N 3.28Å; P81-D85 WeakPolarHBondContact O-CB 3.44Å; P81-D85 PolarHBondContact O-N 2.85Å
82	E	97.3	Very high	96.9	Very high	168 Å²	168	62.9 Å²	62.9	79%	0.785	31%	0.311	S	S	*	.	H	α-helix	trans	-60.5	-36.1	177.7	-63.2	-178.6	178.7	0	0	112.9	G80 R86	G80-E82 PolarHBondContact O-N 3Å; E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.21Å; E82-R86 PolarHBondContact O-N 3.36Å
83	Y	97.2	Very high	96.9	Very high	10 Å²	10	64.8 Å²	64.8	4%	0.039	32%	0.318	C	S	.	.	H	α-helix	trans	-64.3	-51.8	174.4	168.6	-91.9	0	0	0	110.1	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.09Å; E79-Y83 HydrophobicContact CB-CD1 3.46Å; E79-Y83 VanDerWaalsContact CB-CD1 3.46Å; E79-Y83 HydrophobicContact CB-CD2 4.48Å; E79-Y83 HydrophobicContact CB-CE1 4.06Å; E79-Y83 HydrophobicContact CB-CG 3.72Å; E79-Y83 HydrophobicContact CG-CD1 4Å; E79-Y83 HydrophobicContact CG-CD2 4.43Å; E79-Y83 HydrophobicContact CG-CE1 4.18Å; E79-Y83 HydrophobicContact CG-CG 4.14Å; G80-Y83 WeakPolarHBondContact O-CB 3.43Å; G80-Y83 PolarHBondContact O-N 2.89Å; P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 2.94Å; Y83-D85 PolarHBondContact O-N 2.94Å; Y83-R86 PolarHBondContact O-N 2.03Å; Y83-E87 HydrophobicContact CD1-CG 4.4Å; Y83-E87 HydrophobicContact CD2-CG 4.18Å; Y83-E87 HydrophobicContact CE1-CG 4.02Å; Y83-E87 HydrophobicContact CE2-CG 3.76Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CG 3.39Å; Y83-E87 PolarHBondContact O-N 3.13Å; Y83-W191 AromaticContact CD2-CH2 3.57Å; Y83-W191 HydrophobicContact CD2-CH2 3.57Å; Y83-W191 HydrophobicContact CD2-CZ2 4.28Å; Y83-W191 AromaticContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CE2-CE3 4.25Å; Y83-W191 AromaticContact CE2-CH2 3.93Å; Y83-W191 HydrophobicContact CE2-CH2 3.93Å; Y83-W191 AromaticContact CE2-CZ3 3.74Å; Y83-W191 HydrophobicContact CE2-CZ3 3.74Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.49Å; Y83-Y195 PolarHBondContact OH-OH 2.04Å
84	W	97.8	Very high	97	Very high	37 Å²	37	66 Å²	66	14%	0.14	32%	0.323	C	S	.	.	H	α-helix	trans	-64.7	-37.8	-177.7	-68.1	112	0	0	0	113.2	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 4.09Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 3.77Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; P71-W84 HydrophobicContact CG-CZ2 4.23Å; V76-W84 HydrophobicContact CG1-CH2 4.01Å; V76-W84 HydrophobicContact CG1-CZ2 4.21Å; V76-W84 HydrophobicContact CG2-CH2 3.97Å; V76-W84 HydrophobicContact CG2-CZ2 3.99Å; V76-W84 WeakPolarHBondContact O-CZ2 3.06Å; E79-W84 PolarHBondContact O-NE1 2.81Å; E79-W84 VanDerWaalsContact O-NE1 3.08Å; G80-W84 PolarHBondContact O-N 2.97Å; P81-W84 PolarHBondContact O-N 3.28Å; W84-T88 WeakPolarHBondContact O-CB 3.46Å; W84-T88 PolarHBondContact O-N 3.31Å; W84-T88 PolarHBondContact O-OG1 3.14Å
85	D	97.8	Very high	97.1	Very high	107 Å²	107	62.1 Å²	62.1	57%	0.572	30%	0.299	S	S	*	.	H	α-helix	trans	-64.5	-47.5	174.3	-76.6	-22	0	0	0	110.6	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.44Å; P81-D85 PolarHBondContact O-N 2.85Å; Y83-D85 PolarHBondContact O-N 2.94Å; D85-T88 PolarHBondContact O-N 3.27Å; D85-Q89 VanDerWaalsContact O-CG 3.3Å; D85-Q89 WeakPolarHBondContact O-CG 3.43Å; D85-Q89 PolarHBondContact O-N 2.84Å
86	R	97.2	Very high	97.2	Very high	103 Å²	103	66.3 Å²	66.3	39%	0.389	32%	0.319	S	S	.	.	H	α-helix	trans	-60.8	-47.9	178.1	-174.8	-176.6	67.2	-150.8	-4.7	111.8	E82 Y83 Q89 K90	E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.21Å; E82-R86 PolarHBondContact O-N 3.36Å; Y83-R86 PolarHBondContact O-N 2.03Å; R86-Q89 PolarHBondContact O-N 2.89Å; R86-K90 WeakPolarHBondContact O-CG 3.37Å; R86-K90 PolarHBondContact O-N 2.71Å
87	E	97.3	Very high	97.3	Very high	6 Å²	6	69.4 Å²	69.4	3%	0.028	34%	0.338	C	S	.	.	H	α-helix	trans	-65.3	-42.1	179.3	-66.5	-47.7	117.8	0	0	111.3	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.4Å; Y83-E87 HydrophobicContact CD2-CG 4.18Å; Y83-E87 HydrophobicContact CE1-CG 4.02Å; Y83-E87 HydrophobicContact CE2-CG 3.76Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CG 3.39Å; Y83-E87 PolarHBondContact O-N 3.13Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 2.83Å; E87-K90 WeakPolarHBondContact O-CB 3.4Å; E87-K90 PolarHBondContact O-N 3.16Å; E87-K90 VanDerWaalsContact O-N 3.13Å; E87-K90 WeakPolarHBondContact OE1-CD 3.46Å; E87-K90 WeakPolarHBondContact OE1-CE 3.33Å; E87-K90 IonicContact OE1-NZ 2.77Å; E87-K90 PolarHBondContact OE1-NZ 2.93Å; E87-K90 IonicContact OE2-NZ 2.9Å; E87-Y91 HydrophobicContact CB-CE2 4.04Å; E87-Y91 WeakPolarHBondContact O-CD2 3.38Å; E87-Y91 PolarHBondContact O-N 2.98Å
88	T	98.3	Very high	97.4	Very high	11 Å²	11	63.8 Å²	63.8	7%	0.067	31%	0.312	C	S	.	.	H	α-helix	trans	-57.6	-44.1	174	-64.9	0	0	0	0	112	R68 G69 W84 D85 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.17Å; G69-T88 PolarHBondContact N-OG1 2.68Å; W84-T88 WeakPolarHBondContact O-CB 3.46Å; W84-T88 PolarHBondContact O-N 3.31Å; W84-T88 PolarHBondContact O-OG1 3.14Å; D85-T88 PolarHBondContact O-N 3.27Å; T88-Y91 PolarHBondContact O-N 3.36Å; T88-K92 HydrophobicContact CG2-CD 4.16Å; T88-K92 WeakPolarHBondContact O-CG 3.34Å; T88-K92 PolarHBondContact O-N 2.98Å
89	Q	98.2	Very high	97.4	Very high	103 Å²	103	60.8 Å²	60.8	48%	0.481	30%	0.296	S	S	.	.	H	α-helix	trans	-68.2	-36	177.1	-67	-56.5	-31.2	0	0	112.4	D85 R86 E87 K92 R93	D85-Q89 VanDerWaalsContact O-CG 3.3Å; D85-Q89 WeakPolarHBondContact O-CG 3.43Å; D85-Q89 PolarHBondContact O-N 2.84Å; R86-Q89 PolarHBondContact O-N 2.89Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 2.83Å; Q89-K92 PolarHBondContact O-N 3.46Å; Q89-R93 WeakPolarHBondContact O-CB 3.49Å; Q89-R93 WeakPolarHBondContact O-CG 3.31Å; Q89-R93 PolarHBondContact O-N 2.94Å
90	K	97.3	Very high	97.5	Very high	56 Å²	56	63.2 Å²	63.2	24%	0.243	31%	0.311	C	S	.	.	H	α-helix	trans	-59.4	-50.2	172.2	-74.8	175.2	179	174.4	0	110.9	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.37Å; R86-K90 PolarHBondContact O-N 2.71Å; E87-K90 WeakPolarHBondContact O-CB 3.4Å; E87-K90 PolarHBondContact O-N 3.16Å; E87-K90 VanDerWaalsContact O-N 3.13Å; E87-K90 WeakPolarHBondContact OE1-CD 3.46Å; E87-K90 WeakPolarHBondContact OE1-CE 3.33Å; E87-K90 IonicContact OE1-NZ 2.77Å; E87-K90 PolarHBondContact OE1-NZ 2.93Å; E87-K90 IonicContact OE2-NZ 2.9Å; K90-K92 PolarHBondContact O-N 3.43Å; K90-R93 PolarHBondContact O-N 2.97Å; K90-Q94 WeakPolarHBondContact O-CB 3.28Å; K90-Q94 PolarHBondContact O-N 3.04Å
91	Y	98.4	Very high	97.5	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.4	-42.9	178.2	-61.3	-48.5	0	0	0	112.7	Y33 A48 V58 F60 E87 T88 R93 Q94 A95	Y33-Y91 HydrophobicContact CE1-CD1 4.15Å; Y33-Y91 AromaticContact CE1-CE1 3.83Å; Y33-Y91 HydrophobicContact CE1-CE1 3.83Å; Y33-Y91 AromaticContact CZ-CE1 3.98Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.29Å; A48-Y91 HydrophobicContact CB-CD1 3.63Å; A48-Y91 HydrophobicContact CB-CE1 3.73Å; A48-Y91 HydrophobicContact CB-CG 4.42Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.32Å; V58-Y91 HydrophobicContact CG2-CE2 4.14Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.33Å; F60-Y91 HydrophobicContact CB-CD1 4.38Å; F60-Y91 HydrophobicContact CB-CD2 3.56Å; F60-Y91 HydrophobicContact CB-CE2 4.06Å; F60-Y91 HydrophobicContact CB-CG 3.76Å; F60-Y91 HydrophobicContact CD1-CG 4.41Å; F60-Y91 AromaticContact CD2-CD2 3.76Å; F60-Y91 HydrophobicContact CD2-CD2 3.76Å; F60-Y91 HydrophobicContact CD2-CG 4Å; F60-Y91 AromaticContact CG-CD2 3.83Å; F60-Y91 HydrophobicContact CG-CD2 3.83Å; F60-Y91 AromaticContact CG-CG 3.81Å; F60-Y91 HydrophobicContact CG-CG 3.81Å; E87-Y91 HydrophobicContact CB-CE2 4.04Å; E87-Y91 WeakPolarHBondContact O-CD2 3.38Å; E87-Y91 PolarHBondContact O-N 2.98Å; T88-Y91 PolarHBondContact O-N 3.36Å; Y91-R93 PolarHBondContact O-N 3.03Å; Y91-Q94 PolarHBondContact O-N 3.4Å; Y91-A95 WeakPolarHBondContact O-CB 2.82Å; Y91-A95 PolarHBondContact O-N 2.95Å
92	K	98.2	Very high	97.6	Very high	85 Å²	85	59.6 Å²	59.6	37%	0.37	28%	0.278	S	S	.	.	H	α-helix	trans	-62.3	-42.1	176.6	-74.8	178.3	178.1	175.2	0	112.6	F60 P67 T88 Q89 K90 A95 Q96	F60-K92 HydrophobicContact CE2-CG 4.19Å; F60-K92 HydrophobicContact CZ-CG 4Å; P67-K92 WeakPolarHBondContact O-CE 3.44Å; P67-K92 PolarHBondContact O-NZ 2.93Å; T88-K92 HydrophobicContact CG2-CD 4.16Å; T88-K92 WeakPolarHBondContact O-CG 3.34Å; T88-K92 PolarHBondContact O-N 2.98Å; Q89-K92 PolarHBondContact O-N 3.46Å; K90-K92 PolarHBondContact O-N 3.43Å; K92-A95 PolarHBondContact O-N 2.93Å; K92-Q96 PolarHBondContact O-N 3.33Å
93	R	98.1	Very high	97.5	Very high	163 Å²	163	57.6 Å²	57.6	62%	0.615	26%	0.263	S	S	*	.	H	α-helix	trans	-65.4	-40.1	175	-74.8	-172.1	-64.5	-163.6	2.3	111.9	Q89 K90 Y91 Q96 T97	Q89-R93 WeakPolarHBondContact O-CB 3.49Å; Q89-R93 WeakPolarHBondContact O-CG 3.31Å; Q89-R93 PolarHBondContact O-N 2.94Å; K90-R93 PolarHBondContact O-N 2.97Å; Y91-R93 PolarHBondContact O-N 3.03Å; R93-Q96 PolarHBondContact O-N 3.43Å; R93-T97 PolarHBondContact O-N 3.36Å; R93-T97 PolarHBondContact O-OG1 3.4Å
94	Q	98	Very high	97.5	Very high	29 Å²	29	62 Å²	62	14%	0.136	28%	0.283	C	S	.	.	H	α-helix	trans	-65.1	-43.8	176.8	-174.1	61.6	46.5	0	0	111.5	Y33 F46 K90 Y91 Q96 T97 D98	Y33-Q94 HydrophobicContact CD2-CG 3.58Å; Y33-Q94 HydrophobicContact CE2-CB 4.42Å; Y33-Q94 HydrophobicContact CE2-CG 3.68Å; F46-Q94 HydrophobicContact CE2-CB 4.46Å; F46-Q94 HydrophobicContact CE2-CG 3.85Å; F46-Q94 HydrophobicContact CZ-CB 4.02Å; F46-Q94 HydrophobicContact CZ-CG 3.72Å; K90-Q94 WeakPolarHBondContact O-CB 3.28Å; K90-Q94 PolarHBondContact O-N 3.04Å; Y91-Q94 PolarHBondContact O-N 3.4Å; Q94-Q96 VanDerWaalsContact C-N 3.3Å; Q94-Q96 PolarHBondContact O-N 3.48Å; Q94-T97 CarbonylContact O-C 3.57Å; Q94-T97 WeakPolarHBondContact O-CA 2.85Å; Q94-T97 WeakPolarHBondContact O-CB 3.15Å; Q94-T97 PolarHBondContact O-N 3.42Å; Q94-D98 PolarHBondContact NE2-OD1 3.45Å; Q94-D98 PolarHBondContact NE2-OD2 3.29Å; Q94-D98 PolarHBondContact O-N 3.49Å
95	A	97.9	Very high	97.4	Very high	17 Å²	17	60.7 Å²	60.7	14%	0.14	28%	0.278	C	S	.	.	H	α-helix	trans	-56.9	-42.1	176	0	0	0	0	0	112.5	F46 Y91 K92 D98 R99	F46-A95 HydrophobicContact CB-CB 3.75Å; F46-A95 HydrophobicContact CD1-CB 3.72Å; F46-A95 HydrophobicContact CD2-CB 4.15Å; F46-A95 HydrophobicContact CE1-CB 4.34Å; F46-A95 HydrophobicContact CG-CB 3.6Å; Y91-A95 WeakPolarHBondContact O-CB 2.82Å; Y91-A95 PolarHBondContact O-N 2.95Å; K92-A95 PolarHBondContact O-N 2.93Å; A95-D98 PolarHBondContact O-N 3.03Å; A95-R99 WeakPolarHBondContact O-CB 3.42Å; A95-R99 PolarHBondContact O-N 2.95Å
96	Q	97.4	Very high	97.3	Very high	104 Å²	104	58.5 Å²	58.5	49%	0.486	26%	0.262	S	S	.	.	H	α-helix	trans	-67.6	-36.9	174.5	-66.4	-55.9	-40.9	0	0	112.5	K92 R93 Q94 R99 V100	K92-Q96 PolarHBondContact O-N 3.33Å; R93-Q96 PolarHBondContact O-N 3.43Å; Q94-Q96 VanDerWaalsContact C-N 3.3Å; Q94-Q96 PolarHBondContact O-N 3.48Å; Q96-R99 WeakPolarHBondContact O-CB 3.08Å; Q96-V100 WeakPolarHBondContact O-CG2 3.47Å; Q96-V100 PolarHBondContact O-N 2.88Å
97	T	97.6	Very high	97.3	Very high	64 Å²	64	55.7 Å²	55.7	39%	0.393	27%	0.265	S	S	.	.	H	α-helix	trans	-63.6	-46.3	175.9	-59.9	0	0	0	0	110.7	R93 Q94 R99 V100 N101	R93-T97 PolarHBondContact O-N 3.36Å; R93-T97 PolarHBondContact O-OG1 3.4Å; Q94-T97 CarbonylContact O-C 3.57Å; Q94-T97 WeakPolarHBondContact O-CA 2.85Å; Q94-T97 WeakPolarHBondContact O-CB 3.15Å; Q94-T97 PolarHBondContact O-N 3.42Å; T97-R99 PolarHBondContact O-N 2.86Å; T97-V100 PolarHBondContact O-N 3.4Å; T97-V100 VanDerWaalsContact O-N 3.13Å; T97-N101 VanDerWaalsContact O-CG 3.25Å; T97-N101 PolarHBondContact O-N 2.7Å; T97-N101 PolarHBondContact O-ND2 3.15Å
98	D	97.4	Very high	97.3	Very high	7 Å²	7	58.3 Å²	58.3	4%	0.037	28%	0.275	C	S	.	.	H	α-helix	trans	-70.5	-32.2	-179.3	-69.9	-22.9	0	0	0	112.6	A35 F46 Q94 A95 V100 N101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.67Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.17Å; Q94-D98 PolarHBondContact NE2-OD1 3.45Å; Q94-D98 PolarHBondContact NE2-OD2 3.29Å; Q94-D98 PolarHBondContact O-N 3.49Å; A95-D98 PolarHBondContact O-N 3.03Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 2.96Å; D98-N101 PolarHBondContact O-N 2.96Å; D98-L102 WeakPolarHBondContact O-CB 3.31Å; D98-L102 VanDerWaalsContact O-CG 3.28Å; D98-L102 WeakPolarHBondContact O-CG 3.49Å; D98-L102 PolarHBondContact O-N 3.3Å; D98-L119 HydrophobicContact CB-CD2 4.12Å
99	R	96.4	Very high	97.3	Very high	62 Å²	62	60.9 Å²	60.9	23%	0.234	28%	0.284	C	S	.	.	H	α-helix	trans	-55.8	-45.9	167.4	176.1	-165.4	-176.6	-168.6	0.8	112.1	E43 P44 A95 Q96 T97	E43-R99 VanDerWaalsContact CD-NE 3.32Å; E43-R99 IonicContact OE1-CZ 3Å; E43-R99 IonicContact OE1-NE 3.63Å; E43-R99 PolarHBondContact OE1-NE 3.31Å; E43-R99 IonicContact OE1-NH1 2.68Å; E43-R99 IonicContact OE1-NH2 3.38Å; E43-R99 PolarHBondContact OE1-NH2 3.48Å; E43-R99 WeakPolarHBondContact OE2-CD 3.32Å; E43-R99 IonicContact OE2-CZ 3.48Å; E43-R99 IonicContact OE2-NE 3.51Å; E43-R99 PolarHBondContact OE2-NE 3.17Å; E43-R99 IonicContact OE2-NH1 2.65Å; E43-R99 IonicContact OE2-NH2 3.43Å; E43-R99 PolarHBondContact OE2-NH2 2.67Å; P44-R99 HydrophobicContact CG-CB 4.2Å; P44-R99 HydrophobicContact CG-CG 4.12Å; A95-R99 WeakPolarHBondContact O-CB 3.42Å; A95-R99 PolarHBondContact O-N 2.95Å; Q96-R99 WeakPolarHBondContact O-CB 3.08Å; T97-R99 PolarHBondContact O-N 2.86Å
100	V	96.7	Very high	97.2	Very high	63 Å²	63	63.2 Å²	63.2	38%	0.382	30%	0.299	S	S	.	.	H	α-helix	trans	-69.6	-40.3	177.5	174.2	0	0	0	0	110.7	Q96 T97 D98 R103 K104	Q96-V100 WeakPolarHBondContact O-CG2 3.47Å; Q96-V100 PolarHBondContact O-N 2.88Å; T97-V100 PolarHBondContact O-N 3.4Å; T97-V100 VanDerWaalsContact O-N 3.13Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 2.96Å; V100-R103 PolarHBondContact O-N 3.41Å; V100-K104 HydrophobicContact CG1-CD 4.27Å; V100-K104 PolarHBondContact O-N 2.74Å; V100-K104 VanDerWaalsContact O-N 3.08Å
101	N	97.6	Very high	97.1	Very high	48 Å²	48	63.4 Å²	63.4	26%	0.257	30%	0.301	S	S	.	.	H	α-helix	trans	-64.5	-42.3	179.5	-68.9	-23.5	0	0	0	112	T97 D98 R103 K104 L105 L119	T97-N101 VanDerWaalsContact O-CG 3.25Å; T97-N101 PolarHBondContact O-N 2.7Å; T97-N101 PolarHBondContact O-ND2 3.15Å; D98-N101 PolarHBondContact O-N 2.96Å; N101-R103 VanDerWaalsContact C-N 3.27Å; N101-R103 PolarHBondContact O-N 3.43Å; N101-K104 PolarHBondContact O-N 3.15Å; N101-L105 WeakPolarHBondContact O-CB 3.46Å; N101-L105 VanDerWaalsContact O-CG 3.28Å; N101-L105 WeakPolarHBondContact O-CG 3.44Å; N101-L105 PolarHBondContact O-N 2.95Å; N101-L119 HydrophobicContact CB-CD2 3.74Å
102	L	97.4	Very high	96.9	Very high	8 Å²	8	67.1 Å²	67.1	4%	0.042	33%	0.327	C	S	.	.	H	α-helix	trans	-55.6	-41.7	174.7	-77.1	165.9	0	0	0	111.9	A35 P44 D98 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.9Å; P44-L102 HydrophobicContact CB-CD1 3.72Å; P44-L102 HydrophobicContact CG-CD1 3.85Å; D98-L102 WeakPolarHBondContact O-CB 3.31Å; D98-L102 VanDerWaalsContact O-CG 3.28Å; D98-L102 WeakPolarHBondContact O-CG 3.49Å; D98-L102 PolarHBondContact O-N 3.3Å; L102-R106 WeakPolarHBondContact O-CB 3.27Å; L102-R106 PolarHBondContact O-N 3.2Å; L102-H117 HydrophobicContact CD2-CB 4.27Å; L102-L119 HydrophobicContact CD2-CB 3.69Å; L102-L119 HydrophobicContact CG-CB 4.16Å; L102-Y142 HydrophobicContact CD2-CE2 4.08Å
103	R	95.1	Very high	96.4	Very high	127 Å²	127	69.4 Å²	69.4	48%	0.479	34%	0.339	S	S	.	.	H	α-helix	trans	-66.9	-40.4	175.5	-65.7	177.8	-172.5	151.7	0.3	112.6	V100 N101 G107	V100-R103 PolarHBondContact O-N 3.41Å; N101-R103 VanDerWaalsContact C-N 3.27Å; N101-R103 PolarHBondContact O-N 3.43Å; R103-G107 PolarHBondContact O-N 3.37Å
104	K	96.4	Very high	96	Very high	102 Å²	102	65.7 Å²	65.7	44%	0.443	34%	0.343	S	S	.	.	H	α-helix	trans	-65.6	-47.6	177.6	-73.3	175.5	179.4	169.4	0	111.5	V100 N101 G107 Y108	V100-K104 HydrophobicContact CG1-CD 4.27Å; V100-K104 PolarHBondContact O-N 2.74Å; V100-K104 VanDerWaalsContact O-N 3.08Å; N101-K104 PolarHBondContact O-N 3.15Å; K104-G107 CarbonylContact O-C 3.49Å; K104-G107 WeakPolarHBondContact O-CA 3.33Å; K104-G107 PolarHBondContact O-N 3.15Å; K104-G107 VanDerWaalsContact O-N 3.07Å; K104-Y108 WeakPolarHBondContact O-CD1 3.44Å; K104-Y108 PolarHBondContact O-N 2.89Å
105	L	97.6	Very high	95.6	Very high	9 Å²	9	65.3 Å²	65.3	5%	0.047	35%	0.347	C	S	.	.	H	α-helix	trans	-60.7	-46.7	179.8	-70.2	168.2	0	0	0	110.8	N101 G107 Y108 Y109 L119 Y142 Y147	N101-L105 WeakPolarHBondContact O-CB 3.46Å; N101-L105 VanDerWaalsContact O-CG 3.28Å; N101-L105 WeakPolarHBondContact O-CG 3.44Å; N101-L105 PolarHBondContact O-N 2.95Å; L105-G107 PolarHBondContact O-N 2.75Å; L105-Y108 PolarHBondContact O-N 3.03Å; L105-Y109 HydrophobicContact CD2-CE2 4.36Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.34Å; L105-Y109 PolarHBondContact O-N 2.95Å; L105-L119 HydrophobicContact CD1-CD1 3.83Å; L105-L119 HydrophobicContact CD1-CD2 4.16Å; L105-L119 HydrophobicContact CD1-CG 4.46Å; L105-Y142 HydrophobicContact CB-CD1 4.45Å; L105-Y142 HydrophobicContact CB-CD2 4.08Å; L105-Y142 HydrophobicContact CB-CE1 4.14Å; L105-Y142 HydrophobicContact CB-CE2 3.72Å; L105-Y142 HydrophobicContact CB-CG 4.42Å; L105-Y142 HydrophobicContact CD1-CD2 3.55Å; L105-Y142 HydrophobicContact CD1-CE2 3.91Å; L105-Y142 HydrophobicContact CD1-CG 4.07Å; L105-Y142 HydrophobicContact CG-CD2 4.36Å; L105-Y142 HydrophobicContact CG-CE2 4.44Å; L105-Y147 HydrophobicContact CD2-CD1 4.43Å; L105-Y147 HydrophobicContact CD2-CD2 4.09Å; L105-Y147 HydrophobicContact CD2-CE1 3.83Å; L105-Y147 HydrophobicContact CD2-CE2 3.41Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.41Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.39Å
106	R	95.7	Very high	95.5	Very high	62 Å²	62	68.1 Å²	68.1	23%	0.234	37%	0.366	C	S	.	.	H	α-helix	trans	-51.9	-42.5	172.3	-171.2	-173.4	66.6	-178	9	112.3	L102 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.27Å; L102-R106 PolarHBondContact O-N 3.2Å; R106-N110 PolarHBondContact O-N 3.03Å; R106-N110 VanDerWaalsContact O-N 3.13Å; R106-Q111 HydrophobicContact CG-CB 3.74Å; R106-Q111 WeakPolarHBondContact CG-O 3.43Å; R106-Q111 PolarHBondContact O-N 3.33Å; R106-E113 IonicContact CZ-OE1 3.65Å; R106-E113 IonicContact NH1-OE1 3.67Å; R106-E113 IonicContact NH2-OE1 3.55Å; R106-E113 PolarHBondContact NH2-OE1 3.34Å
107	G	96	Very high	95.5	Very high	43 Å²	43	63.9 Å²	63.9	44%	0.443	35%	0.346	S	S	.	.	H	α-helix	trans	-65.9	-43.2	174.6	0	0	0	0	0	113.6	R103 K104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.37Å; K104-G107 CarbonylContact O-C 3.49Å; K104-G107 WeakPolarHBondContact O-CA 3.33Å; K104-G107 PolarHBondContact O-N 3.15Å; K104-G107 VanDerWaalsContact O-N 3.07Å; L105-G107 PolarHBondContact O-N 2.75Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.37Å; G107-N110 PolarHBondContact O-N 3.45Å; G107-N110 PolarHBondContact O-OD1 2.94Å
108	Y	97.7	Very high	95.6	Very high	61 Å²	61	62.7 Å²	62.7	24%	0.239	34%	0.339	C	S	.	.	H	α-helix	trans	-63.3	-34	178.9	-65.3	-8.1	0	0	0	112.6	K104 L105 I166 K170	K104-Y108 WeakPolarHBondContact O-CD1 3.44Å; K104-Y108 PolarHBondContact O-N 2.89Å; L105-Y108 PolarHBondContact O-N 3.03Å; Y108-I166 HydrophobicContact CD1-CD1 4.27Å; Y108-I166 HydrophobicContact CD2-CD1 4.4Å; Y108-I166 HydrophobicContact CE1-CG2 4.33Å; Y108-I166 HydrophobicContact CE2-CB 4.18Å; Y108-I166 HydrophobicContact CE2-CG2 3.97Å; Y108-I166 HydrophobicContact CG-CD1 4.21Å; Y108-K170 PolarHBondContact OH-NZ 3.11Å
109	Y	97.6	Very high	95.6	Very high	65 Å²	65	62.8 Å²	62.8	26%	0.255	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	5.1	178.2	-68.5	-72.4	0	0	0	114	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.36Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.34Å; L105-Y109 PolarHBondContact O-N 2.95Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.37Å; Y109-Q111 PolarHBondContact O-N 2.93Å; Y109-Y142 AromaticContact CD2-CD1 3.72Å; Y109-Y142 HydrophobicContact CD2-CD1 3.72Å; Y109-Y142 AromaticContact CD2-CE1 3.53Å; Y109-Y142 HydrophobicContact CD2-CE1 3.53Å; Y109-Y142 AromaticContact CE2-CD1 3.53Å; Y109-Y142 HydrophobicContact CE2-CD1 3.53Å; Y109-Y142 AromaticContact CE2-CE1 3.87Å; Y109-Y142 HydrophobicContact CE2-CE1 3.87Å; Y109-Y142 HydrophobicContact CE2-CG 4.46Å; Y109-Y142 HydrophobicContact CG-CE1 4.39Å; Y109-Y147 HydrophobicContact CE2-CD2 4.35Å; Y109-Y147 HydrophobicContact CE2-CE2 4.09Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.16Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.34Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.24Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 2.9Å; Y109-D161 PolarHBondContact OH-OD2 3.06Å; Y109-A163 HydrophobicContact CD1-CB 4.16Å; Y109-A163 HydrophobicContact CD2-CB 4.46Å; Y109-A163 HydrophobicContact CE1-CB 3.61Å; Y109-A163 HydrophobicContact CE2-CB 3.93Å; Y109-A163 VanDerWaalsContact CZ-CB 3.48Å
110	N	96.4	Very high	95.8	Very high	152 Å²	152	63.6 Å²	63.6	81%	0.813	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	38.9	-177.5	-58.4	-53.1	0	0	0	113.5	R106 G107	R106-N110 PolarHBondContact O-N 3.03Å; R106-N110 VanDerWaalsContact O-N 3.13Å; G107-N110 PolarHBondContact O-N 3.45Å; G107-N110 PolarHBondContact O-OD1 2.94Å
111	Q	96.2	Very high	95.8	Very high	60 Å²	60	63 Å²	63	28%	0.28	34%	0.336	S	S	.	.			trans	-86	153.1	-176.7	-70.5	168.7	-33.1	0	0	111.7	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.74Å; R106-Q111 WeakPolarHBondContact CG-O 3.43Å; R106-Q111 PolarHBondContact O-N 3.33Å; Y109-Q111 PolarHBondContact O-N 2.93Å; Q111-H117 PolarHBondContact NE2-CE1 3.31Å; Q111-H117 PolarHBondContact OE1-CE1 3.43Å; Q111-H117 PolarHBondContact OE1-ND1 3.47Å; Q111-Y142 PolarHBondContact OE1-OH 3Å; Q111-D143 PolarHBondContact NE2-OD2 3.43Å
112	S	93.1	Very high	95.9	Very high	78 Å²	78	61.6 Å²	61.6	55%	0.545	33%	0.329	S	S	.	.			trans	-73.1	155.7	-179	75.4	0	0	0	0	112.4	A114 G115	S112-A114 VanDerWaalsContact C-N 3.25Å; S112-A114 PolarHBondContact O-N 2.94Å; S112-G115 PolarHBondContact O-N 3.49Å
113	E	88.3	Confident	95.9	Very high	133 Å²	133	62.3 Å²	62.3	62%	0.621	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-19.6	178.7	-56.4	-153.4	125.9	0	0	113.9	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.41Å; P39-E113 VanDerWaalsContact CG-O 3.26Å; P39-E113 WeakPolarHBondContact CG-O 3.4Å; R106-E113 IonicContact CZ-OE1 3.65Å; R106-E113 IonicContact NH1-OE1 3.67Å; R106-E113 IonicContact NH2-OE1 3.55Å; R106-E113 PolarHBondContact NH2-OE1 3.34Å; E113-G115 VanDerWaalsContact C-N 3.29Å
114	A	88.9	Confident	96.1	Very high	85 Å²	85	56.2 Å²	56.2	70%	0.702	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-16	-179.7	0	0	0	0	0	113	S112	S112-A114 VanDerWaalsContact C-N 3.25Å; S112-A114 PolarHBondContact O-N 2.94Å
115	G	91.4	Very high	96.2	Very high	21 Å²	21	51.4 Å²	51.4	22%	0.216	29%	0.287	C	S	.	.			trans	-72.6	135.6	179.9	0	0	0	0	0	113	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.39Å; S112-G115 PolarHBondContact O-N 3.49Å; E113-G115 VanDerWaalsContact C-N 3.29Å; G115-H117 PolarHBondContact O-CD2 3.29Å; G115-H117 VanDerWaalsContact O-CD2 3.3Å
116	S	95.6	Very high	96.2	Very high	76 Å²	76	52 Å²	52	53%	0.531	29%	0.29	S	S	.	.			trans	-82.5	132.2	164.2	-175.8	0	0	0	0	108.5	S37	S37-S116 PolarHBondContact O-OG 2.86Å
117	H	97.4	Very high	96.2	Very high	15 Å²	15	49.2 Å²	49.2	7%	0.069	28%	0.28	C	S	.	.			trans	-130.3	149.5	-176.2	-64.8	-71.1	0	0	0	110.6	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 CarbonylContact C-O 3.41Å; V36-H117 WeakPolarHBondContact CA-O 3.31Å; S37-H117 PolarHBondContact N-O 3.49Å; S37-H117 PolarHBondContact OG-N 3.42Å; S37-H117 PolarHBondContact OG-O 2.95Å; L102-H117 HydrophobicContact CD2-CB 4.27Å; Q111-H117 PolarHBondContact NE2-CE1 3.31Å; Q111-H117 PolarHBondContact OE1-CE1 3.43Å; Q111-H117 PolarHBondContact OE1-ND1 3.47Å; G115-H117 PolarHBondContact O-CD2 3.29Å; G115-H117 VanDerWaalsContact O-CD2 3.3Å; H117-Y142 HydrophobicContact CB-CE2 3.85Å; H117-Y142 WeakPolarHBondContact CB-OH 3.35Å; H117-Y142 AromaticContact CG-CZ 3.96Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 3.2Å; H117-D143 WeakPolarHBondContact CA-OD1 3.4Å; H117-D143 WeakPolarHBondContact CB-OD1 3.05Å; H117-D143 IonicContact CE1-OD2 3.5Å; H117-D143 IonicContact CG-OD1 2.78Å; H117-D143 IonicContact CG-OD2 2.61Å; H117-D143 IonicContact ND1-OD1 3.94Å; H117-D143 PolarHBondContact ND1-OD1 3.09Å; H117-D143 IonicContact ND1-OD2 3.9Å; H117-D143 PolarHBondContact ND1-OD2 3.04Å
118	T	98.4	Very high	96	Very high	39 Å²	39	47.5 Å²	47.5	24%	0.239	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.6	-176.3	-55.1	0	0	0	0	110.2	T34 A35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.99Å; A35-T118 WeakPolarHBondContact O-CA 3.25Å; V36-T118 HydrophobicContact CG2-CG2 4.2Å; T118-Q120 HydrophobicContact CG2-CG 3.98Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 3.48Å; T118-Y142 WeakPolarHBondContact O-CD2 3.2Å; T118-D143 PolarHBondContact N-OD1 3.48Å; T118-D143 PolarHBondContact O-N 3.21Å
119	L	98.7	Very high	95.6	Very high	10 Å²	10	48.9 Å²	48.9	5%	0.052	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	125	170.7	175.2	61.1	0	0	0	108.4	T34 A35 D98 N101 L102 L105 A141	T34-L119 WeakPolarHBondContact CA-O 3.47Å; A35-L119 HydrophobicContact CB-CB 4.43Å; A35-L119 PolarHBondContact N-O 2.94Å; A35-L119 PolarHBondContact O-N 3.37Å; D98-L119 HydrophobicContact CB-CD2 4.12Å; N101-L119 HydrophobicContact CB-CD2 3.74Å; L102-L119 HydrophobicContact CD2-CB 3.69Å; L102-L119 HydrophobicContact CG-CB 4.16Å; L105-L119 HydrophobicContact CD1-CD1 3.83Å; L105-L119 HydrophobicContact CD1-CD2 4.16Å; L105-L119 HydrophobicContact CD1-CG 4.46Å; L119-A141 WeakPolarHBondContact CD1-O 3.33Å
120	Q	98.8	Very high	95.1	Very high	79 Å²	79	50.6 Å²	50.6	37%	0.369	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	144.9	177.9	-67.4	170.1	-82.6	0	0	110	Y33 T34 T118 S140 A141	Y33-Q120 CarbonylContact O-C 3.46Å; Y33-Q120 VanDerWaalsContact O-CA 3.26Å; Y33-Q120 WeakPolarHBondContact O-CA 3.3Å; T34-Q120 HydrophobicContact CG2-CG 4.11Å; T118-Q120 HydrophobicContact CG2-CG 3.98Å; Q120-S140 CarbonylContact O-C 3.52Å; Q120-S140 WeakPolarHBondContact O-CA 3.13Å; Q120-A141 HydrophobicContact CB-CB 4.37Å; Q120-A141 PolarHBondContact N-O 3.42Å; Q120-A141 PolarHBondContact O-N 2.84Å
121	R	98.3	Very high	94.7	Very high	49 Å²	49	44.3 Å²	44.3	19%	0.185	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	135.7	173.9	-168.5	-176.7	-166.7	171.8	1.2	109.5	F32 Y33 Y123 Q139 W180	F32-R121 WeakPolarHBondContact CA-O 3.41Å; Y33-R121 PolarHBondContact N-O 3.35Å; Y33-R121 PolarHBondContact O-N 2.91Å; R121-Y123 HydrophobicContact CG-CD1 4.35Å; R121-Q139 WeakPolarHBondContact CA-O 3.39Å; R121-Q139 WeakPolarHBondContact CG-O 3.32Å; R121-W180 VanDerWaalsContact CZ-CZ2 3.49Å
122	M	98.6	Very high	94.6	Very high	19 Å²	19	49.6 Å²	49.6	9%	0.094	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.1	168.2	-172.4	-76.7	-72.3	0	0	108.4	Y31 F32 Y137 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.46Å; F32-M122 HydrophobicContact CD1-CB 4.02Å; F32-M122 HydrophobicContact CD1-CG 3.61Å; F32-M122 HydrophobicContact CE1-CB 4.15Å; F32-M122 HydrophobicContact CE1-CG 3.33Å; F32-M122 HydrophobicContact CG-CG 4.44Å; F32-M122 HydrophobicContact CZ-CG 3.96Å; M122-Y137 HydrophobicContact CE-CD1 3.86Å; M122-Y137 HydrophobicContact CE-CG 4.02Å; M122-Y137 HydrophobicContact SD-CG 4.47Å; M122-Q139 HydrophobicContact CB-CG 4.04Å; M122-Q139 HydrophobicContact CE-CG 4Å; M122-Q139 PolarHBondContact N-O 3.27Å; M122-Q139 PolarHBondContact O-N 2.88Å
123	Y	98.6	Very high	94.7	Very high	23 Å²	23	48.3 Å²	48.3	9%	0.09	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	159.9	172.2	70.2	-89	0	0	0	110.4	Y31 Y33 R121 Y137 W180 Y183	Y31-Y123 VanDerWaalsContact CB-CZ 3.48Å; Y31-Y123 HydrophobicContact CD2-CD2 4.39Å; Y31-Y123 AromaticContact CD2-CE2 3.62Å; Y31-Y123 HydrophobicContact CD2-CE2 3.62Å; Y31-Y123 AromaticContact CD2-CZ 3.81Å; Y31-Y123 HydrophobicContact CE2-CE2 4.4Å; Y31-Y123 HydrophobicContact CG-CE1 4.33Å; Y31-Y123 HydrophobicContact CG-CE2 4.04Å; Y31-Y123 AromaticContact CG-CZ 3.74Å; Y31-Y123 PolarHBondContact N-O 3.35Å; Y31-Y123 PolarHBondContact O-N 2.92Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å; Y33-Y123 HydrophobicContact CD2-CE1 4.07Å; Y33-Y123 HydrophobicContact CE1-CE1 4.28Å; Y33-Y123 AromaticContact CE2-CE1 3.49Å; Y33-Y123 HydrophobicContact CE2-CE1 3.49Å; Y33-Y123 VanDerWaalsContact CE2-CE1 3.49Å; Y33-Y123 AromaticContact CZ-CE1 3.63Å; Y33-Y123 AromaticContact CZ-CZ 3.93Å; Y33-Y123 PolarHBondContact OH-OH 2.89Å; R121-Y123 HydrophobicContact CG-CD1 4.35Å; Y123-Y137 VanDerWaalsContact CA-O 3.28Å; Y123-Y137 WeakPolarHBondContact CA-O 3.39Å; Y123-Y137 VanDerWaalsContact CB-O 3.28Å; Y123-Y137 WeakPolarHBondContact CB-O 3.41Å; Y123-W180 HydrophobicContact CD1-CH2 4.03Å; Y123-W180 HydrophobicContact CD2-CH2 4.14Å; Y123-W180 AromaticContact CD2-CZ3 3.81Å; Y123-W180 HydrophobicContact CD2-CZ3 3.81Å; Y123-W180 AromaticContact CG-CH2 3.62Å; Y123-W180 HydrophobicContact CG-CH2 3.62Å; Y123-W180 AromaticContact CG-CZ3 3.76Å; Y123-W180 HydrophobicContact CG-CZ3 3.76Å; Y123-Y183 AromaticContact CD2-CE1 3.85Å; Y123-Y183 HydrophobicContact CD2-CE1 3.85Å; Y123-Y183 AromaticContact CE2-CE1 3.8Å; Y123-Y183 HydrophobicContact CE2-CE1 3.8Å; Y123-Y183 AromaticContact CE2-CZ 3.98Å
124	G	98.4	Very high	95.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.6	-176.2	-175.9	0	0	0	0	0	113.3	M29 Y137 L184	M29-G124 CarbonylContact O-C 3.58Å; M29-G124 WeakPolarHBondContact O-CA 3.47Å; G124-Y137 PolarHBondContact N-O 3.21Å; G124-Y137 PolarHBondContact O-N 2.91Å; G124-L184 WeakPolarHBondContact O-CD2 3.39Å
125	C	98.4	Very high	95.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	148.3	-178.1	51.7	0	0	0	0	110.6	S28 M29 L133 R135 C188	S28-C125 CarbonylContact C-O 3.58Å; S28-C125 WeakPolarHBondContact CA-O 3.36Å; M29-C125 PolarHBondContact N-O 3Å; M29-C125 PolarHBondContact O-N 2.89Å; C125-L133 HydrophobicContact CB-CD1 3.55Å; C125-R135 CarbonylContact C-O 3.55Å; C125-R135 WeakPolarHBondContact CA-O 3.2Å; C125-C188 HydrophobicContact CB-CB 3.94Å; C125-C188 WeakPolarHBondContact CB-SG 3.49Å; C125-C188 PolarHBondContact N-SG 3.43Å; C125-C188 VanDerWaalsContact N-SG 3.35Å; C125-C188 WeakPolarHBondContact SG-CB 3.45Å; C125-C188 PolarHBondContact SG-O 3.23Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.33Å
126	D	97.8	Very high	95.8	Very high	22 Å²	22	47.6 Å²	47.6	12%	0.118	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137.4	172	-62.3	-1.2	0	0	0	108.7	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.3Å; S28-D126 WeakPolarHBondContact CB-OD1 3.45Å; R30-D126 IonicContact CZ-OD1 2.71Å; R30-D126 IonicContact NE-OD1 3.8Å; R30-D126 PolarHBondContact NE-OD1 3.41Å; R30-D126 VanDerWaalsContact NE-OD1 3.1Å; R30-D126 IonicContact NH2-OD1 3.56Å; R30-D126 PolarHBondContact NH2-OD1 3.26Å; R30-D126 IonicContact NH2-OD2 3.43Å; R30-D126 PolarHBondContact NH2-OD2 3.21Å; D126-L134 HydrophobicContact CB-CB 4.44Å; D126-L134 PolarHBondContact O-N 3.04Å; D126-R135 HydrophobicContact CB-CB 4.4Å; D126-R135 PolarHBondContact N-O 2.89Å; D126-R135 PolarHBondContact O-N 3.44Å; D126-Y137 WeakPolarHBondContact OD1-CE2 2.96Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.42Å; D126-Y137 PolarHBondContact OD2-OH 3.46Å
127	L	96.1	Very high	95.8	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.4	173.4	-57.1	-176.9	0	0	0	110	S26 H27 R132 V189 L192 R193 L196	S26-L127 VanDerWaalsContact CA-O 3.3Å; S26-L127 WeakPolarHBondContact CA-O 3.22Å; S26-L127 WeakPolarHBondContact CB-O 3.38Å; H27-L127 PolarHBondContact N-O 2.82Å; H27-L127 VanDerWaalsContact N-O 3.16Å; H27-L127 PolarHBondContact O-N 2.66Å; L127-R132 CarbonylContact C-O 3.53Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.45Å; L127-V189 HydrophobicContact CD2-CB 4.15Å; L127-V189 HydrophobicContact CD2-CG1 3.75Å; L127-V189 HydrophobicContact CD2-CG2 3.81Å; L127-L192 HydrophobicContact CB-CD2 4.5Å; L127-L192 HydrophobicContact CD1-CB 4.26Å; L127-L192 HydrophobicContact CD1-CD2 3.72Å; L127-L192 HydrophobicContact CD1-CG 3.73Å; L127-L192 HydrophobicContact CD2-CD2 4.48Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.17Å; L127-R193 HydrophobicContact CD1-CG 3.89Å; L127-L196 HydrophobicContact CD1-CD1 4.48Å
128	G	92.3	Very high	95.9	Very high	8 Å²	8	45.2 Å²	45.2	8%	0.082	23%	0.225	C	C	.	.			trans	-70.5	174.6	165.1	0	0	0	0	0	111.6	D130 G131 R132	G128-D130 PolarHBondContact O-N 2.88Å; G128-G131 WeakPolarHBondContact O-CA 3.21Å; G128-G131 PolarHBondContact O-N 3.09Å; G128-R132 PolarHBondContact N-O 3.24Å
129	P	87.8	Confident	95.8	Very high	89 Å²	89	47.3 Å²	47.3	58%	0.578	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.9	178.7	-19.2	29.9	0	0	0	113.6	A24 G131	A24-P129 HydrophobicContact CB-CB 3.81Å; A24-P129 HydrophobicContact CB-CG 3.17Å; P129-G131 PolarHBondContact O-N 3.09Å
130	D	87.9	Confident	95.8	Very high	102 Å²	102	47.7 Å²	47.7	55%	0.545	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	3	174.2	70.1	-14.4	0	0	0	112.9	G128 R132	G128-D130 PolarHBondContact O-N 2.88Å; D130-R132 PolarHBondContact O-N 3.28Å; D130-R132 WeakPolarHBondContact OD1-CB 3.33Å; D130-R132 PolarHBondContact OD1-N 2.95Å; D130-R132 WeakPolarHBondContact OD2-CD 3.34Å; D130-R132 WeakPolarHBondContact OD2-CG 3.46Å; D130-R132 IonicContact OD2-NE 3.78Å
131	G	88	Confident	95.8	Very high	20 Å²	20	44.7 Å²	44.7	21%	0.206	22%	0.224	C	C	.	.	S	Bend	trans	71.9	9.8	-178.5	0	0	0	0	0	113.9	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.21Å; G128-G131 PolarHBondContact O-N 3.09Å; P129-G131 PolarHBondContact O-N 3.09Å; G131-R193 VanDerWaalsContact O-CZ 3.26Å; G131-R193 PolarHBondContact O-NE 3.04Å; G131-R193 PolarHBondContact O-NH2 3.45Å
132	R	93.1	Very high	95.9	Very high	170 Å²	170	42.9 Å²	42.9	64%	0.642	22%	0.218	S	C	*	.	S	Bend	trans	-90.6	157.1	178.6	-61	-173.5	-176.4	171.4	-1.9	111.3	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.53Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.45Å; G128-R132 PolarHBondContact N-O 3.24Å; D130-R132 PolarHBondContact O-N 3.28Å; D130-R132 WeakPolarHBondContact OD1-CB 3.33Å; D130-R132 PolarHBondContact OD1-N 2.95Å; D130-R132 WeakPolarHBondContact OD2-CD 3.34Å; D130-R132 WeakPolarHBondContact OD2-CG 3.46Å; D130-R132 IonicContact OD2-NE 3.78Å; R132-L134 PolarHBondContact O-N 2.82Å
133	L	96.4	Very high	95.8	Very high	51 Å²	51	44.9 Å²	44.9	27%	0.267	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	115.7	174.5	-177	71.5	0	0	0	109.5	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.55Å; L133-R135 WeakPolarHBondContact CD1-O 3.38Å; L133-L154 HydrophobicContact CD2-CD1 4.16Å; L133-E185 HydrophobicContact CD2-CB 4.39Å; L133-E185 HydrophobicContact CD2-CG 3.64Å; L133-V189 HydrophobicContact CB-CG2 4Å; L133-V189 HydrophobicContact CD1-CG2 4.05Å
134	L	96.1	Very high	95.8	Very high	120 Å²	120	46.6 Å²	46.6	63%	0.628	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	-45.4	170.9	179.6	62.7	0	0	0	110	D126 R132	D126-L134 HydrophobicContact CB-CB 4.44Å; D126-L134 PolarHBondContact O-N 3.04Å; R132-L134 PolarHBondContact O-N 2.82Å
135	R	96.4	Very high	95.8	Very high	98 Å²	98	54.2 Å²	54.2	37%	0.37	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	142.2	-177.1	-173.7	163.3	171.2	142.7	11.9	112.2	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.55Å; C125-R135 WeakPolarHBondContact CA-O 3.2Å; D126-R135 HydrophobicContact CB-CB 4.4Å; D126-R135 PolarHBondContact N-O 2.89Å; D126-R135 PolarHBondContact O-N 3.44Å; L133-R135 WeakPolarHBondContact CD1-O 3.38Å; R135-Y137 HydrophobicContact CB-CE2 4.09Å; R135-Y137 WeakPolarHBondContact CD-OH 3.43Å; R135-Y137 HydrophobicContact CG-CD2 4.43Å; R135-Y137 HydrophobicContact CG-CE1 4.23Å; R135-Y137 HydrophobicContact CG-CE2 3.74Å; R135-Y137 VanDerWaalsContact NE-CE1 3.34Å; R135-Y137 PolarHBondContact NE-OH 3.42Å; R135-E152 IonicContact CZ-OE1 3.4Å; R135-E152 IonicContact NH1-OE1 3.61Å; R135-E152 PolarHBondContact NH1-OE1 3.4Å; R135-E152 IonicContact NH2-OE1 2.88Å; R135-E152 PolarHBondContact NH2-OE1 2.82Å
136	G	97.7	Very high	95.8	Very high	6 Å²	6	60.5 Å²	60.5	6%	0.062	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	149.8	171.4	0	0	0	0	0	111.7
137	Y	97.4	Very high	95.8	Very high	38 Å²	38	59.9 Å²	59.9	15%	0.149	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	142.5	-177.9	-58.8	-93.8	0	0	0	111.1	R30 M122 Y123 G124 D126 R135	R30-Y137 PolarHBondContact NH2-OH 2.92Å; M122-Y137 HydrophobicContact CE-CD1 3.86Å; M122-Y137 HydrophobicContact CE-CG 4.02Å; M122-Y137 HydrophobicContact SD-CG 4.47Å; Y123-Y137 VanDerWaalsContact CA-O 3.28Å; Y123-Y137 WeakPolarHBondContact CA-O 3.39Å; Y123-Y137 VanDerWaalsContact CB-O 3.28Å; Y123-Y137 WeakPolarHBondContact CB-O 3.41Å; G124-Y137 PolarHBondContact N-O 3.21Å; G124-Y137 PolarHBondContact O-N 2.91Å; D126-Y137 WeakPolarHBondContact OD1-CE2 2.96Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.42Å; D126-Y137 PolarHBondContact OD2-OH 3.46Å; R135-Y137 HydrophobicContact CB-CE2 4.09Å; R135-Y137 WeakPolarHBondContact CD-OH 3.43Å; R135-Y137 HydrophobicContact CG-CD2 4.43Å; R135-Y137 HydrophobicContact CG-CE1 4.23Å; R135-Y137 HydrophobicContact CG-CE2 3.74Å; R135-Y137 VanDerWaalsContact NE-CE1 3.34Å; R135-Y137 PolarHBondContact NE-OH 3.42Å
138	G	97.9	Very high	96	Very high	4 Å²	4	60 Å²	60	4%	0.041	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	95.2	169.7	0	0	0	0	0	110	L150	G138-L150 WeakPolarHBondContact O-CB 3.31Å; G138-L150 PolarHBondContact O-N 2.86Å
139	Q	98.3	Very high	96.3	Very high	83 Å²	83	60.9 Å²	60.9	39%	0.388	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	152.5	-175.1	65.5	-167.6	27.2	0	0	111.9	R121 M122 I148 A149	R121-Q139 WeakPolarHBondContact CA-O 3.39Å; R121-Q139 WeakPolarHBondContact CG-O 3.32Å; M122-Q139 HydrophobicContact CB-CG 4.04Å; M122-Q139 HydrophobicContact CE-CG 4Å; M122-Q139 PolarHBondContact N-O 3.27Å; M122-Q139 PolarHBondContact O-N 2.88Å; Q139-I148 CarbonylContact C-O 3.52Å; Q139-I148 WeakPolarHBondContact CA-O 3.38Å; Q139-A149 HydrophobicContact CB-CB 3.92Å
140	S	98.6	Very high	96.8	Very high	17 Å²	17	57.4 Å²	57.4	12%	0.119	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	146	179.6	-55.4	0	0	0	0	110.7	Q120 Y147 I148	Q120-S140 CarbonylContact O-C 3.52Å; Q120-S140 WeakPolarHBondContact O-CA 3.13Å; S140-Y147 WeakPolarHBondContact O-CA 3.39Å; S140-Y147 WeakPolarHBondContact O-CB 3.42Å; S140-Y147 PolarHBondContact O-N 2.64Å; S140-I148 PolarHBondContact N-O 2.82Å; S140-I148 PolarHBondContact O-N 3.47Å
141	A	98.8	Very high	97.3	Very high	16 Å²	16	54.6 Å²	54.6	13%	0.132	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146	177.7	0	0	0	0	0	110.3	L119 Q120 K145	L119-A141 WeakPolarHBondContact CD1-O 3.33Å; Q120-A141 HydrophobicContact CB-CB 4.37Å; Q120-A141 PolarHBondContact N-O 3.42Å; Q120-A141 PolarHBondContact O-N 2.84Å; A141-K145 CarbonylContact C-O 3.56Å; A141-K145 WeakPolarHBondContact CA-O 3.22Å; A141-K145 WeakPolarHBondContact CB-O 3.11Å
142	Y	98.7	Very high	97.7	Very high	11 Å²	11	60.1 Å²	60.1	4%	0.043	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	128.3	177.4	-175.4	-115.4	0	0	0	110	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.08Å; L105-Y142 HydrophobicContact CB-CD1 4.45Å; L105-Y142 HydrophobicContact CB-CD2 4.08Å; L105-Y142 HydrophobicContact CB-CE1 4.14Å; L105-Y142 HydrophobicContact CB-CE2 3.72Å; L105-Y142 HydrophobicContact CB-CG 4.42Å; L105-Y142 HydrophobicContact CD1-CD2 3.55Å; L105-Y142 HydrophobicContact CD1-CE2 3.91Å; L105-Y142 HydrophobicContact CD1-CG 4.07Å; L105-Y142 HydrophobicContact CG-CD2 4.36Å; L105-Y142 HydrophobicContact CG-CE2 4.44Å; Y109-Y142 AromaticContact CD2-CD1 3.72Å; Y109-Y142 HydrophobicContact CD2-CD1 3.72Å; Y109-Y142 AromaticContact CD2-CE1 3.53Å; Y109-Y142 HydrophobicContact CD2-CE1 3.53Å; Y109-Y142 AromaticContact CE2-CD1 3.53Å; Y109-Y142 HydrophobicContact CE2-CD1 3.53Å; Y109-Y142 AromaticContact CE2-CE1 3.87Å; Y109-Y142 HydrophobicContact CE2-CE1 3.87Å; Y109-Y142 HydrophobicContact CE2-CG 4.46Å; Y109-Y142 HydrophobicContact CG-CE1 4.39Å; Q111-Y142 PolarHBondContact OE1-OH 3Å; H117-Y142 HydrophobicContact CB-CE2 3.85Å; H117-Y142 WeakPolarHBondContact CB-OH 3.35Å; H117-Y142 AromaticContact CG-CZ 3.96Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 3.2Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 3.48Å; T118-Y142 WeakPolarHBondContact O-CD2 3.2Å; Y142-G144 PolarHBondContact O-N 3.29Å; Y142-K145 PolarHBondContact N-O 2.95Å; Y142-K145 PolarHBondContact O-N 3.37Å; Y142-K145 VanDerWaalsContact O-N 3.07Å
143	D	98.1	Very high	97.9	Very high	62 Å²	62	55.8 Å²	55.8	33%	0.332	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	40.8	-174.4	-66.3	-22.8	0	0	0	113.1	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.43Å; H117-D143 WeakPolarHBondContact CA-OD1 3.4Å; H117-D143 WeakPolarHBondContact CB-OD1 3.05Å; H117-D143 IonicContact CE1-OD2 3.5Å; H117-D143 IonicContact CG-OD1 2.78Å; H117-D143 IonicContact CG-OD2 2.61Å; H117-D143 IonicContact ND1-OD1 3.94Å; H117-D143 PolarHBondContact ND1-OD1 3.09Å; H117-D143 IonicContact ND1-OD2 3.9Å; H117-D143 PolarHBondContact ND1-OD2 3.04Å; T118-D143 PolarHBondContact N-OD1 3.48Å; T118-D143 PolarHBondContact O-N 3.21Å; D143-K145 VanDerWaalsContact C-N 3.29Å; D143-K145 PolarHBondContact O-N 2.94Å
144	G	97.3	Very high	98	Very high	58 Å²	58	53.8 Å²	53.8	60%	0.598	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	7.7	177.8	0	0	0	0	0	115.2	Y142	Y142-G144 PolarHBondContact O-N 3.29Å
145	K	98.4	Very high	98	Very high	161 Å²	161	56 Å²	56	70%	0.7	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	146.2	176.9	-62	-179	-178	179.3	0	110.8	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.56Å; A141-K145 WeakPolarHBondContact CA-O 3.22Å; A141-K145 WeakPolarHBondContact CB-O 3.11Å; Y142-K145 PolarHBondContact N-O 2.95Å; Y142-K145 PolarHBondContact O-N 3.37Å; Y142-K145 VanDerWaalsContact O-N 3.07Å; D143-K145 VanDerWaalsContact C-N 3.29Å; D143-K145 PolarHBondContact O-N 2.94Å; K145-Y147 PolarHBondContact O-N 3.34Å
146	D	98.6	Very high	98.1	Very high	131 Å²	131	53.1 Å²	53.1	70%	0.701	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.1	136.3	174.1	-67.9	-24	0	0	0	110.7	A160	D146-A160 HydrophobicContact CB-CB 4.23Å; D146-A160 WeakPolarHBondContact O-CB 3.11Å
147	Y	98.8	Very high	98.2	Very high	9 Å²	9	53.3 Å²	53.3	4%	0.035	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	-63.4	177.8	-179.9	-108	0	0	0	110.1	L105 Y109 S140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.43Å; L105-Y147 HydrophobicContact CD2-CD2 4.09Å; L105-Y147 HydrophobicContact CD2-CE1 3.83Å; L105-Y147 HydrophobicContact CD2-CE2 3.41Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.41Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.39Å; Y109-Y147 HydrophobicContact CE2-CD2 4.35Å; Y109-Y147 HydrophobicContact CE2-CE2 4.09Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.16Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.34Å; S140-Y147 WeakPolarHBondContact O-CA 3.39Å; S140-Y147 WeakPolarHBondContact O-CB 3.42Å; S140-Y147 PolarHBondContact O-N 2.64Å; K145-Y147 PolarHBondContact O-N 3.34Å; Y147-A160 WeakPolarHBondContact O-CB 3.47Å; Y147-A160 PolarHBondContact O-N 2.86Å; Y147-A163 PolarHBondContact OH-O 2.9Å; Y147-A164 HydrophobicContact CD2-CB 3.84Å; Y147-A164 HydrophobicContact CE1-CB 4.45Å; Y147-A164 HydrophobicContact CE2-CB 3.71Å; Y147-A164 HydrophobicContact CG-CB 4.27Å; Y147-A164 WeakPolarHBondContact O-CB 3.38Å; Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 PolarHBondContact OH-OG1 2.82Å
148	I	98.7	Very high	98.2	Very high	5 Å²	5	55.2 Å²	55.2	3%	0.026	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	141.1	179.9	-161	171.1	0	0	0	110.8	Q139 S140 W157 T158 T167 Q168 W171	Q139-I148 CarbonylContact C-O 3.52Å; Q139-I148 WeakPolarHBondContact CA-O 3.38Å; S140-I148 PolarHBondContact N-O 2.82Å; S140-I148 PolarHBondContact O-N 3.47Å; I148-W157 HydrophobicContact CD1-CB 4.29Å; I148-W157 HydrophobicContact CD1-CD2 4.47Å; I148-W157 HydrophobicContact CD1-CE3 4.27Å; I148-W157 HydrophobicContact CG1-CB 4.35Å; I148-W157 HydrophobicContact CG1-CE3 4.11Å; I148-T158 WeakPolarHBondContact CA-O 3.34Å; I148-T167 HydrophobicContact CD1-CG2 3.99Å; I148-Q168 HydrophobicContact CD1-CB 3.97Å; I148-W171 HydrophobicContact CD1-CE3 3.95Å; I148-W171 HydrophobicContact CD1-CZ3 4.17Å; I148-W171 HydrophobicContact CG2-CE3 4.5Å; I148-W171 HydrophobicContact CG2-CH2 3.97Å; I148-W171 HydrophobicContact CG2-CZ3 3.68Å
149	A	98.8	Very high	98.3	Very high	28 Å²	28	56 Å²	56	23%	0.231	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	138.7	178.8	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.92Å; A149-W157 CarbonylContact O-C 3.59Å; A149-W157 WeakPolarHBondContact O-CA 3.44Å; A149-T158 PolarHBondContact N-O 3Å; A149-T158 PolarHBondContact O-N 3.43Å
150	L	98.8	Very high	98.3	Very high	15 Å²	15	55 Å²	55	8%	0.079	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	127.8	167.6	-175.6	65.9	0	0	0	108.3	G138 L154 W157 A177 W180 L184	G138-L150 WeakPolarHBondContact O-CB 3.31Å; G138-L150 PolarHBondContact O-N 2.86Å; L150-L154 HydrophobicContact CD2-CD2 3.73Å; L150-L154 HydrophobicContact CG-CD2 4.23Å; L150-W157 HydrophobicContact CB-CE3 4.02Å; L150-W157 HydrophobicContact CB-CH2 4.05Å; L150-W157 HydrophobicContact CB-CZ3 3.6Å; L150-W157 HydrophobicContact CD1-CD2 4.23Å; L150-W157 HydrophobicContact CD1-CE3 4.27Å; L150-W157 HydrophobicContact CD1-CH2 3.91Å; L150-W157 HydrophobicContact CD1-CZ2 3.89Å; L150-W157 HydrophobicContact CD1-CZ3 4.1Å; L150-W157 HydrophobicContact CG-CH2 4.47Å; L150-W157 HydrophobicContact CG-CZ3 4.42Å; L150-A177 HydrophobicContact CD1-CB 4.1Å; L150-W180 HydrophobicContact CD2-CB 3.95Å; L150-W180 HydrophobicContact CD2-CG 4.44Å; L150-L184 HydrophobicContact CD2-CD1 3.84Å
151	N	98.4	Very high	98.3	Very high	43 Å²	43	56.6 Å²	56.6	23%	0.23	31%	0.313	C	S	.	.			trans	-73.3	162.9	179.9	-67.6	-27.8	0	0	0	111.3	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.97Å; N151-D153 VanDerWaalsContact O-N 3.09Å; N151-L154 PolarHBondContact O-N 2.9Å; N151-S156 WeakPolarHBondContact CB-O 3.35Å; N151-S156 WeakPolarHBondContact CB-OG 3.47Å; N151-S156 PolarHBondContact N-O 2.6Å; N151-S156 PolarHBondContact ND2-OG 3.46Å; N151-T158 PolarHBondContact ND2-OG1 2.84Å; N151-T158 WeakPolarHBondContact OD1-CB 3.45Å; N151-T158 PolarHBondContact OD1-OG1 3.35Å
152	E	97.1	Very high	98.2	Very high	136 Å²	136	61.2 Å²	61.2	64%	0.636	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.4	-179.2	-65.7	179.8	-170.5	0	0	113.4	R135 L154	R135-E152 IonicContact CZ-OE1 3.4Å; R135-E152 IonicContact NH1-OE1 3.61Å; R135-E152 PolarHBondContact NH1-OE1 3.4Å; R135-E152 IonicContact NH2-OE1 2.88Å; R135-E152 PolarHBondContact NH2-OE1 2.82Å; E152-L154 PolarHBondContact O-N 3.16Å
153	D	97.2	Very high	98.2	Very high	79 Å²	79	61 Å²	61	42%	0.422	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-8.4	174.2	70.1	4.4	0	0	0	114	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.97Å; N151-D153 VanDerWaalsContact O-N 3.09Å; D153-R155 VanDerWaalsContact O-CG 3.31Å; D153-R155 WeakPolarHBondContact O-CG 3.36Å; D153-R155 PolarHBondContact O-N 2.77Å; D153-R155 VanDerWaalsContact O-N 3.15Å; D153-R155 PolarHBondContact OD1-N 2.94Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.9Å; D153-S156 PolarHBondContact OD1-OG 3.41Å; D153-S156 VanDerWaalsContact OD1-OG 3.09Å; D153-S156 WeakPolarHBondContact OD2-CB 3.24Å; D153-S156 PolarHBondContact OD2-OG 3.07Å
154	L	97.9	Very high	98.2	Very high	10 Å²	10	58 Å²	58	5%	0.052	32%	0.324	C	S	.	.	S	Bend	trans	52.9	26.9	-175	-53.1	-178.7	0	0	0	113.8	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.16Å; L150-L154 HydrophobicContact CD2-CD2 3.73Å; L150-L154 HydrophobicContact CG-CD2 4.23Å; N151-L154 PolarHBondContact O-N 2.9Å; E152-L154 PolarHBondContact O-N 3.16Å; L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.92Å; L154-R181 HydrophobicContact CD1-CG 4.22Å; L154-L184 HydrophobicContact CD2-CD1 3.93Å; L154-E185 HydrophobicContact CD1-CG 4.33Å
155	R	97.4	Very high	98.3	Very high	165 Å²	165	58.8 Å²	58.8	62%	0.623	31%	0.312	S	S	*	.	S	Bend	trans	-133.1	-29.4	-174	-71.3	168.8	-174	-121.9	10.4	112.6	D153 A177	D153-R155 VanDerWaalsContact O-CG 3.31Å; D153-R155 WeakPolarHBondContact O-CG 3.36Å; D153-R155 PolarHBondContact O-N 2.77Å; D153-R155 VanDerWaalsContact O-N 3.15Å; D153-R155 PolarHBondContact OD1-N 2.94Å; R155-A177 WeakPolarHBondContact O-CB 3.24Å
156	S	97.9	Very high	98.3	Very high	39 Å²	39	54 Å²	54	27%	0.273	29%	0.294	S	S	.	.			trans	-118.8	164.5	-177	64.1	0	0	0	0	112.1	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.35Å; N151-S156 WeakPolarHBondContact CB-OG 3.47Å; N151-S156 PolarHBondContact N-O 2.6Å; N151-S156 PolarHBondContact ND2-OG 3.46Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.9Å; D153-S156 PolarHBondContact OD1-OG 3.41Å; D153-S156 VanDerWaalsContact OD1-OG 3.09Å; D153-S156 WeakPolarHBondContact OD2-CB 3.24Å; D153-S156 PolarHBondContact OD2-OG 3.07Å
157	W	98.6	Very high	98.2	Very high	10 Å²	10	48.7 Å²	48.7	4%	0.038	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	144.5	-177.3	-60.3	93.2	0	0	0	110.7	I148 A149 L150 Q168 W171 E176 A177 W180	I148-W157 HydrophobicContact CD1-CB 4.29Å; I148-W157 HydrophobicContact CD1-CD2 4.47Å; I148-W157 HydrophobicContact CD1-CE3 4.27Å; I148-W157 HydrophobicContact CG1-CB 4.35Å; I148-W157 HydrophobicContact CG1-CE3 4.11Å; A149-W157 CarbonylContact O-C 3.59Å; A149-W157 WeakPolarHBondContact O-CA 3.44Å; L150-W157 HydrophobicContact CB-CE3 4.02Å; L150-W157 HydrophobicContact CB-CH2 4.05Å; L150-W157 HydrophobicContact CB-CZ3 3.6Å; L150-W157 HydrophobicContact CD1-CD2 4.23Å; L150-W157 HydrophobicContact CD1-CE3 4.27Å; L150-W157 HydrophobicContact CD1-CH2 3.91Å; L150-W157 HydrophobicContact CD1-CZ2 3.89Å; L150-W157 HydrophobicContact CD1-CZ3 4.1Å; L150-W157 HydrophobicContact CG-CH2 4.47Å; L150-W157 HydrophobicContact CG-CZ3 4.42Å; W157-Q168 HydrophobicContact CB-CG 4.12Å; W157-Q168 PolarHBondContact O-NE2 2.75Å; W157-W171 AromaticContact CD2-CE3 3.85Å; W157-W171 HydrophobicContact CD2-CE3 3.85Å; W157-W171 HydrophobicContact CD2-CZ3 4.38Å; W157-W171 AromaticContact CE2-CE3 3.74Å; W157-W171 AromaticContact CE3-CE3 3.72Å; W157-W171 HydrophobicContact CE3-CE3 3.72Å; W157-W171 AromaticContact CE3-CZ3 3.78Å; W157-W171 HydrophobicContact CE3-CZ3 3.78Å; W157-W171 AromaticContact CH2-CE3 3.44Å; W157-W171 HydrophobicContact CH2-CE3 3.44Å; W157-W171 VanDerWaalsContact CH2-CE3 3.44Å; W157-W171 AromaticContact CH2-CZ3 3.45Å; W157-W171 HydrophobicContact CH2-CZ3 3.45Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.45Å; W157-W171 HydrophobicContact CZ2-CD2 4.41Å; W157-W171 AromaticContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CZ3 4.06Å; W157-W171 AromaticContact CZ3-CE3 3.54Å; W157-W171 HydrophobicContact CZ3-CE3 3.54Å; W157-W171 HydrophobicContact CZ3-CH2 4.5Å; W157-W171 AromaticContact CZ3-CZ3 3.29Å; W157-W171 HydrophobicContact CZ3-CZ3 3.29Å; W157-E176 HydrophobicContact CZ2-CB 4.24Å; W157-A177 HydrophobicContact CZ2-CB 4.26Å; W157-W180 AromaticContact CH2-CD1 3.55Å; W157-W180 HydrophobicContact CH2-CG 4.41Å; W157-W180 AromaticContact CH2-NE1 3.62Å; W157-W180 AromaticContact CZ2-CD1 3.88Å
158	T	98.7	Very high	98.2	Very high	77 Å²	77	50.1 Å²	50.1	47%	0.472	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	118.2	165.9	-65.9	0	0	0	0	108.9	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.34Å; A149-T158 PolarHBondContact N-O 3Å; A149-T158 PolarHBondContact O-N 3.43Å; N151-T158 PolarHBondContact ND2-OG1 2.84Å; N151-T158 WeakPolarHBondContact OD1-CB 3.45Å; N151-T158 PolarHBondContact OD1-OG1 3.35Å
159	A	98.6	Very high	98.2	Very high	22 Å²	22	57.2 Å²	57.2	18%	0.182	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	131.8	174.6	0	0	0	0	0	110.2	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.73Å; A159-Q165 HydrophobicContact CB-CG 3.98Å; A159-Q168 HydrophobicContact CB-CB 4.37Å
160	A	98.4	Very high	98.2	Very high	60 Å²	60	61 Å²	61	50%	0.496	31%	0.311	S	S	.	.	S	Bend	trans	-75	-30.3	-176.4	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.23Å; D146-A160 WeakPolarHBondContact O-CB 3.11Å; Y147-A160 WeakPolarHBondContact O-CB 3.47Å; Y147-A160 PolarHBondContact O-N 2.86Å
161	D	98.3	Very high	98.2	Very high	52 Å²	52	63 Å²	63	28%	0.278	32%	0.318	S	S	.	.	S	Bend	trans	-150.8	-176.6	-178.4	67.1	30.4	0	0	0	113.1	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.24Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 2.9Å; Y109-D161 PolarHBondContact OH-OD2 3.06Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.34Å; D161-A163 WeakPolarHBondContact OD1-CA 3.35Å; D161-A163 WeakPolarHBondContact OD1-CB 3.36Å; D161-A163 PolarHBondContact OD1-N 2.79Å; D161-A164 PolarHBondContact O-N 3.18Å; D161-A164 PolarHBondContact OD1-N 3.4Å; D161-Q165 WeakPolarHBondContact O-CG 3.33Å; D161-Q165 PolarHBondContact O-N 3.15Å
162	T	98.1	Very high	98.2	Very high	113 Å²	113	65.4 Å²	65.4	69%	0.693	33%	0.327	S	S	*	.	H	α-helix	trans	-65.3	-27.9	-179.2	51.7	0	0	0	0	113.9
163	A	98	Very high	98.2	Very high	6 Å²	6	63.3 Å²	63.3	5%	0.05	33%	0.333	C	S	.	.	H	α-helix	trans	-73.3	-43.3	175.3	0	0	0	0	0	110.1	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.16Å; Y109-A163 HydrophobicContact CD2-CB 4.46Å; Y109-A163 HydrophobicContact CE1-CB 3.61Å; Y109-A163 HydrophobicContact CE2-CB 3.93Å; Y109-A163 VanDerWaalsContact CZ-CB 3.48Å; Y147-A163 PolarHBondContact OH-O 2.9Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.34Å; D161-A163 WeakPolarHBondContact OD1-CA 3.35Å; D161-A163 WeakPolarHBondContact OD1-CB 3.36Å; D161-A163 PolarHBondContact OD1-N 2.79Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.16Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.32Å; A163-I166 PolarHBondContact O-N 2.74Å
164	A	98.4	Very high	98.3	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60.8	-33.9	174.1	0	0	0	0	0	113.2	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.84Å; Y147-A164 HydrophobicContact CE1-CB 4.45Å; Y147-A164 HydrophobicContact CE2-CB 3.71Å; Y147-A164 HydrophobicContact CG-CB 4.27Å; Y147-A164 WeakPolarHBondContact O-CB 3.38Å; A159-A164 HydrophobicContact CB-CB 3.73Å; D161-A164 PolarHBondContact O-N 3.18Å; D161-A164 PolarHBondContact OD1-N 3.4Å; A164-I166 PolarHBondContact O-N 2.87Å; A164-T167 WeakPolarHBondContact O-CA 3.42Å; A164-T167 WeakPolarHBondContact O-CB 3.3Å; A164-T167 PolarHBondContact O-N 2.81Å; A164-Q168 PolarHBondContact O-N 2.75Å
165	Q	98.6	Very high	98.3	Very high	73 Å²	73	69 Å²	69	34%	0.341	36%	0.359	S	S	.	.	H	α-helix	trans	-59.3	-27.8	173.1	-72.9	175.8	11	0	0	112.9	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.98Å; D161-Q165 WeakPolarHBondContact O-CG 3.33Å; D161-Q165 PolarHBondContact O-N 3.15Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.16Å; Q165-R169 VanDerWaalsContact O-CG 3.32Å; Q165-R169 WeakPolarHBondContact O-CG 3.36Å; Q165-R169 PolarHBondContact O-N 3.44Å; Q165-R169 VanDerWaalsContact O-N 3.1Å
166	I	98.3	Very high	98.3	Very high	61 Å²	61	63.8 Å²	63.8	31%	0.313	34%	0.342	S	S	.	.	H	α-helix	trans	-66.5	-43.4	174.2	-56.5	170.9	0	0	0	110	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.27Å; Y108-I166 HydrophobicContact CD2-CD1 4.4Å; Y108-I166 HydrophobicContact CE1-CG2 4.33Å; Y108-I166 HydrophobicContact CE2-CB 4.18Å; Y108-I166 HydrophobicContact CE2-CG2 3.97Å; Y108-I166 HydrophobicContact CG-CD1 4.21Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.32Å; A163-I166 PolarHBondContact O-N 2.74Å; A164-I166 PolarHBondContact O-N 2.87Å; I166-K170 WeakPolarHBondContact O-CG 3.29Å; I166-K170 PolarHBondContact O-N 3.1Å
167	T	98.3	Very high	98.3	Very high	19 Å²	19	62.4 Å²	62.4	12%	0.117	33%	0.332	C	S	.	.	H	α-helix	trans	-66.1	-45.6	174.6	-69.4	0	0	0	0	111.1	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 PolarHBondContact OH-OG1 2.82Å; I148-T167 HydrophobicContact CD1-CG2 3.99Å; A164-T167 WeakPolarHBondContact O-CA 3.42Å; A164-T167 WeakPolarHBondContact O-CB 3.3Å; A164-T167 PolarHBondContact O-N 2.81Å; T167-R169 PolarHBondContact O-N 3.38Å; T167-K170 WeakPolarHBondContact O-CB 3.36Å; T167-K170 PolarHBondContact O-N 2.85Å; T167-K170 VanDerWaalsContact O-N 3.09Å; T167-W171 HydrophobicContact CG2-CD2 3.68Å; T167-W171 HydrophobicContact CG2-CE3 4.16Å; T167-W171 HydrophobicContact CG2-CG 4.06Å; T167-W171 HydrophobicContact CG2-CH2 4.35Å; T167-W171 HydrophobicContact CG2-CZ2 3.89Å; T167-W171 HydrophobicContact CG2-CZ3 4.46Å; T167-W171 PolarHBondContact O-N 3.24Å
168	Q	98.6	Very high	98.3	Very high	40 Å²	40	67 Å²	67	19%	0.187	35%	0.354	C	S	.	.	H	α-helix	trans	-51.8	-53.6	178.3	175.6	174.5	12.4	0	0	111.7	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.97Å; W157-Q168 HydrophobicContact CB-CG 4.12Å; W157-Q168 PolarHBondContact O-NE2 2.75Å; A159-Q168 HydrophobicContact CB-CB 4.37Å; A164-Q168 PolarHBondContact O-N 2.75Å; Q168-K170 VanDerWaalsContact C-N 3.25Å; Q168-K170 PolarHBondContact O-N 3.1Å; Q168-W171 PolarHBondContact O-N 2.9Å; Q168-W171 VanDerWaalsContact O-N 3.11Å; Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.49Å; Q168-E172 PolarHBondContact NE2-OE1 2.79Å; Q168-E172 WeakPolarHBondContact O-CB 3.37Å; Q168-E172 WeakPolarHBondContact O-CG 3.3Å; Q168-E172 PolarHBondContact O-N 2.73Å
169	R	98.6	Very high	98.2	Very high	154 Å²	154	69.3 Å²	69.3	58%	0.581	36%	0.36	S	S	*	.	H	α-helix	trans	-59.2	-36.5	-179.8	-68.3	171.2	-165	157.5	8.5	112.6	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.32Å; Q165-R169 WeakPolarHBondContact O-CG 3.36Å; Q165-R169 PolarHBondContact O-N 3.44Å; Q165-R169 VanDerWaalsContact O-N 3.1Å; T167-R169 PolarHBondContact O-N 3.38Å; R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.44Å; R169-A173 PolarHBondContact O-N 2.85Å
170	K	98.1	Very high	98.2	Very high	107 Å²	107	69.4 Å²	69.4	47%	0.465	36%	0.355	S	S	.	.	H	α-helix	trans	-68.5	-43.9	176.8	-71.9	175.5	-179.6	-178.4	0	111.6	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.11Å; I166-K170 WeakPolarHBondContact O-CG 3.29Å; I166-K170 PolarHBondContact O-N 3.1Å; T167-K170 WeakPolarHBondContact O-CB 3.36Å; T167-K170 PolarHBondContact O-N 2.85Å; T167-K170 VanDerWaalsContact O-N 3.09Å; Q168-K170 VanDerWaalsContact C-N 3.25Å; Q168-K170 PolarHBondContact O-N 3.1Å; K170-A173 PolarHBondContact O-N 2.8Å; K170-A174 VanDerWaalsContact O-CB 3.3Å; K170-A174 WeakPolarHBondContact O-CB 3.24Å; K170-A174 PolarHBondContact O-N 3.23Å
171	W	98.3	Very high	98.2	Very high	58 Å²	58	70 Å²	70	22%	0.22	35%	0.345	C	S	.	.	H	α-helix	trans	-69.2	-37	179.9	-75.3	5	0	0	0	112.3	I148 W157 T167 Q168 A174 R175 E176	I148-W171 HydrophobicContact CD1-CE3 3.95Å; I148-W171 HydrophobicContact CD1-CZ3 4.17Å; I148-W171 HydrophobicContact CG2-CE3 4.5Å; I148-W171 HydrophobicContact CG2-CH2 3.97Å; I148-W171 HydrophobicContact CG2-CZ3 3.68Å; W157-W171 AromaticContact CD2-CE3 3.85Å; W157-W171 HydrophobicContact CD2-CE3 3.85Å; W157-W171 HydrophobicContact CD2-CZ3 4.38Å; W157-W171 AromaticContact CE2-CE3 3.74Å; W157-W171 AromaticContact CE3-CE3 3.72Å; W157-W171 HydrophobicContact CE3-CE3 3.72Å; W157-W171 AromaticContact CE3-CZ3 3.78Å; W157-W171 HydrophobicContact CE3-CZ3 3.78Å; W157-W171 AromaticContact CH2-CE3 3.44Å; W157-W171 HydrophobicContact CH2-CE3 3.44Å; W157-W171 VanDerWaalsContact CH2-CE3 3.44Å; W157-W171 AromaticContact CH2-CZ3 3.45Å; W157-W171 HydrophobicContact CH2-CZ3 3.45Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.45Å; W157-W171 HydrophobicContact CZ2-CD2 4.41Å; W157-W171 AromaticContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CZ3 4.06Å; W157-W171 AromaticContact CZ3-CE3 3.54Å; W157-W171 HydrophobicContact CZ3-CE3 3.54Å; W157-W171 HydrophobicContact CZ3-CH2 4.5Å; W157-W171 AromaticContact CZ3-CZ3 3.29Å; W157-W171 HydrophobicContact CZ3-CZ3 3.29Å; T167-W171 HydrophobicContact CG2-CD2 3.68Å; T167-W171 HydrophobicContact CG2-CE3 4.16Å; T167-W171 HydrophobicContact CG2-CG 4.06Å; T167-W171 HydrophobicContact CG2-CH2 4.35Å; T167-W171 HydrophobicContact CG2-CZ2 3.89Å; T167-W171 HydrophobicContact CG2-CZ3 4.46Å; T167-W171 PolarHBondContact O-N 3.24Å; Q168-W171 PolarHBondContact O-N 2.9Å; Q168-W171 VanDerWaalsContact O-N 3.11Å; W171-A174 CarbonylContact O-C 3.55Å; W171-A174 PolarHBondContact O-N 2.86Å; W171-R175 PolarHBondContact O-N 2.68Å; W171-E176 HydrophobicContact CB-CB 3.93Å; W171-E176 HydrophobicContact CB-CG 3.86Å; W171-E176 HydrophobicContact CG-CB 4.12Å; W171-E176 HydrophobicContact CG-CG 3.81Å; W171-E176 PolarHBondContact O-N 2.87Å
172	E	98.5	Very high	98.2	Very high	93 Å²	93	70.7 Å²	70.7	44%	0.435	36%	0.358	S	S	.	.	H	α-helix	trans	-64.5	-47.1	172	-72.7	169.8	173.8	0	0	111.3	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.49Å; Q168-E172 PolarHBondContact NE2-OE1 2.79Å; Q168-E172 WeakPolarHBondContact O-CB 3.37Å; Q168-E172 WeakPolarHBondContact O-CG 3.3Å; Q168-E172 PolarHBondContact O-N 2.73Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 3.38Å; E172-R175 PolarHBondContact O-N 3.01Å; E172-R175 VanDerWaalsContact O-N 3.08Å
173	A	98.4	Very high	98.2	Very high	91 Å²	91	67.4 Å²	67.4	75%	0.752	33%	0.333	S	S	*	.	H	α-helix	trans	-61.8	-34.3	176.6	0	0	0	0	0	112.7	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.44Å; R169-A173 PolarHBondContact O-N 2.85Å; K170-A173 PolarHBondContact O-N 2.8Å
174	A	98.1	Very high	98.2	Very high	53 Å²	53	67.1 Å²	67.1	44%	0.438	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-0.7	176.9	0	0	0	0	0	114	K170 W171 E172 E176	K170-A174 VanDerWaalsContact O-CB 3.3Å; K170-A174 WeakPolarHBondContact O-CB 3.24Å; K170-A174 PolarHBondContact O-N 3.23Å; W171-A174 CarbonylContact O-C 3.55Å; W171-A174 PolarHBondContact O-N 2.86Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 3.38Å; A174-E176 HydrophobicContact CB-CG 4.03Å; A174-E176 PolarHBondContact O-N 3.01Å
175	R	97.8	Very high	98.2	Very high	156 Å²	156	71.5 Å²	71.5	59%	0.589	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	37.7	-176.9	-62.9	177.8	156.7	-144.1	2.3	114	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 2.68Å; E172-R175 PolarHBondContact O-N 3.01Å; E172-R175 VanDerWaalsContact O-N 3.08Å; R175-A177 PolarHBondContact O-N 3.22Å; R175-A177 VanDerWaalsContact O-N 3.16Å; R175-E178 HydrophobicContact CB-CG 4.25Å; R175-E178 WeakPolarHBondContact CD-OE1 3.42Å; R175-E178 IonicContact CZ-OE1 3.63Å; R175-E178 IonicContact NE-OE1 3.78Å; R175-E178 IonicContact NH1-OE1 3.82Å; R175-E178 PolarHBondContact NH1-OE1 2.98Å; R175-E178 IonicContact NH1-OE2 3.97Å; R175-E178 PolarHBondContact NH1-OE2 3.2Å; R175-E178 WeakPolarHBondContact O-CB 3.49Å; R175-E178 PolarHBondContact O-N 2.92Å
176	E	97.8	Very high	98.1	Very high	56 Å²	56	69 Å²	69	26%	0.262	35%	0.345	S	S	.	.	H	α-helix	trans	-59	-30.3	-178	-68	-76.1	-175.5	0	0	112.8	W157 W171 A174 E178 Q179 W180	W157-E176 HydrophobicContact CZ2-CB 4.24Å; W171-E176 HydrophobicContact CB-CB 3.93Å; W171-E176 HydrophobicContact CB-CG 3.86Å; W171-E176 HydrophobicContact CG-CB 4.12Å; W171-E176 HydrophobicContact CG-CG 3.81Å; W171-E176 PolarHBondContact O-N 2.87Å; A174-E176 HydrophobicContact CB-CG 4.03Å; A174-E176 PolarHBondContact O-N 3.01Å; E176-E178 VanDerWaalsContact C-N 3.25Å; E176-E178 PolarHBondContact O-N 2.83Å; E176-Q179 PolarHBondContact O-N 3.41Å; E176-W180 PolarHBondContact O-N 3.34Å; E176-W180 VanDerWaalsContact O-N 3.08Å
177	A	98.1	Very high	98.1	Very high	9 Å²	9	70.5 Å²	70.5	7%	0.074	35%	0.351	C	S	.	.	H	α-helix	trans	-61.2	-33.4	176.5	0	0	0	0	0	112.4	L150 R155 W157 R175 W180 R181	L150-A177 HydrophobicContact CD1-CB 4.1Å; R155-A177 WeakPolarHBondContact O-CB 3.24Å; W157-A177 HydrophobicContact CZ2-CB 4.26Å; R175-A177 PolarHBondContact O-N 3.22Å; R175-A177 VanDerWaalsContact O-N 3.16Å; A177-W180 PolarHBondContact O-N 2.86Å; A177-R181 WeakPolarHBondContact O-CB 3.47Å; A177-R181 PolarHBondContact O-N 2.91Å
178	E	98	Very high	98.1	Very high	107 Å²	107	69.6 Å²	69.6	50%	0.5	35%	0.345	S	S	.	.	H	α-helix	trans	-66.2	-39.7	177.9	-63.5	177.9	-174.6	0	0	111.2	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.25Å; R175-E178 WeakPolarHBondContact CD-OE1 3.42Å; R175-E178 IonicContact CZ-OE1 3.63Å; R175-E178 IonicContact NE-OE1 3.78Å; R175-E178 IonicContact NH1-OE1 3.82Å; R175-E178 PolarHBondContact NH1-OE1 2.98Å; R175-E178 IonicContact NH1-OE2 3.97Å; R175-E178 PolarHBondContact NH1-OE2 3.2Å; R175-E178 WeakPolarHBondContact O-CB 3.49Å; R175-E178 PolarHBondContact O-N 2.92Å; E176-E178 VanDerWaalsContact C-N 3.25Å; E176-E178 PolarHBondContact O-N 2.83Å; E178-A182 WeakPolarHBondContact O-CB 3.34Å; E178-A182 PolarHBondContact O-N 3.36Å
179	Q	97.2	Very high	98	Very high	125 Å²	125	68 Å²	68	58%	0.584	34%	0.338	S	S	*	.	H	α-helix	trans	-67.7	-44.4	176.9	-61.4	-177.1	26.7	0	0	111.5	E176 A182 Y183	E176-Q179 PolarHBondContact O-N 3.41Å; Q179-A182 PolarHBondContact O-N 3.22Å; Q179-Y183 PolarHBondContact O-N 3.22Å
180	W	98.1	Very high	98	Very high	24 Å²	24	66.7 Å²	66.7	9%	0.091	34%	0.339	C	S	.	.	H	α-helix	trans	-61	-45.8	175.8	-87.8	115.7	0	0	0	112.3	R121 Y123 L150 W157 E176 A177 A182 Y183 L184	R121-W180 VanDerWaalsContact CZ-CZ2 3.49Å; Y123-W180 HydrophobicContact CD1-CH2 4.03Å; Y123-W180 HydrophobicContact CD2-CH2 4.14Å; Y123-W180 AromaticContact CD2-CZ3 3.81Å; Y123-W180 HydrophobicContact CD2-CZ3 3.81Å; Y123-W180 AromaticContact CG-CH2 3.62Å; Y123-W180 HydrophobicContact CG-CH2 3.62Å; Y123-W180 AromaticContact CG-CZ3 3.76Å; Y123-W180 HydrophobicContact CG-CZ3 3.76Å; L150-W180 HydrophobicContact CD2-CB 3.95Å; L150-W180 HydrophobicContact CD2-CG 4.44Å; W157-W180 AromaticContact CH2-CD1 3.55Å; W157-W180 HydrophobicContact CH2-CG 4.41Å; W157-W180 AromaticContact CH2-NE1 3.62Å; W157-W180 AromaticContact CZ2-CD1 3.88Å; E176-W180 PolarHBondContact O-N 3.34Å; E176-W180 VanDerWaalsContact O-N 3.08Å; A177-W180 PolarHBondContact O-N 2.86Å; W180-A182 VanDerWaalsContact C-N 3.33Å; W180-A182 PolarHBondContact O-N 2.81Å; W180-Y183 HydrophobicContact CE3-CD1 4.24Å; W180-Y183 HydrophobicContact CZ3-CD1 4.28Å; W180-Y183 PolarHBondContact O-N 2.92Å; W180-L184 HydrophobicContact CE3-CD1 4.47Å; W180-L184 HydrophobicContact CE3-CG 4.49Å; W180-L184 WeakPolarHBondContact O-CB 3.35Å; W180-L184 WeakPolarHBondContact O-CG 3.5Å; W180-L184 PolarHBondContact O-N 3.29Å
181	R	98.2	Very high	98	Very high	73 Å²	73	63.6 Å²	63.6	28%	0.275	32%	0.324	S	S	.	.	H	α-helix	trans	-59.8	-44.7	176.8	-174.5	172.3	-178.4	-137.4	-13.6	111.6	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.92Å; L154-R181 HydrophobicContact CD1-CG 4.22Å; A177-R181 WeakPolarHBondContact O-CB 3.47Å; A177-R181 PolarHBondContact O-N 2.91Å; R181-Y183 VanDerWaalsContact C-N 3.34Å; R181-Y183 PolarHBondContact O-N 2.86Å; R181-L184 PolarHBondContact O-N 2.85Å; R181-E185 HydrophobicContact CG-CG 4.13Å; R181-E185 IonicContact CZ-OE1 3.92Å; R181-E185 VanDerWaalsContact CZ-OE1 3.27Å; R181-E185 IonicContact CZ-OE2 3.82Å; R181-E185 IonicContact NE-OE1 3.43Å; R181-E185 PolarHBondContact NE-OE1 2.81Å; R181-E185 IonicContact NE-OE2 3.72Å; R181-E185 PolarHBondContact NE-OE2 2.62Å; R181-E185 IonicContact NH2-OE1 2.92Å; R181-E185 PolarHBondContact NH2-OE1 3.17Å; R181-E185 IonicContact NH2-OE2 3.44Å; R181-E185 PolarHBondContact NH2-OE2 2.98Å; R181-E185 WeakPolarHBondContact O-CB 3.17Å; R181-E185 WeakPolarHBondContact O-CG 3.46Å; R181-E185 PolarHBondContact O-N 2.86Å
182	A	98.3	Very high	98	Very high	66 Å²	66	60.9 Å²	60.9	55%	0.545	31%	0.314	S	S	.	.	H	α-helix	trans	-60.2	-42.1	176.6	0	0	0	0	0	112.5	E178 Q179 W180 G186	E178-A182 WeakPolarHBondContact O-CB 3.34Å; E178-A182 PolarHBondContact O-N 3.36Å; Q179-A182 PolarHBondContact O-N 3.22Å; W180-A182 VanDerWaalsContact C-N 3.33Å; W180-A182 PolarHBondContact O-N 2.81Å; A182-G186 WeakPolarHBondContact O-CA 3.47Å; A182-G186 PolarHBondContact O-N 3.44Å; A182-G186 VanDerWaalsContact O-N 3.07Å
183	Y	97.9	Very high	97.9	Very high	45 Å²	45	62.1 Å²	62.1	18%	0.176	32%	0.315	C	S	.	.	H	α-helix	trans	-65.4	-46.6	174.8	170.4	-99.8	0	0	0	112.3	Y123 Q179 W180 R181 G186 E187 C188	Y123-Y183 AromaticContact CD2-CE1 3.85Å; Y123-Y183 HydrophobicContact CD2-CE1 3.85Å; Y123-Y183 AromaticContact CE2-CE1 3.8Å; Y123-Y183 HydrophobicContact CE2-CE1 3.8Å; Y123-Y183 AromaticContact CE2-CZ 3.98Å; Q179-Y183 PolarHBondContact O-N 3.22Å; W180-Y183 HydrophobicContact CE3-CD1 4.24Å; W180-Y183 HydrophobicContact CZ3-CD1 4.28Å; W180-Y183 PolarHBondContact O-N 2.92Å; R181-Y183 VanDerWaalsContact C-N 3.34Å; R181-Y183 PolarHBondContact O-N 2.86Å; Y183-G186 CarbonylContact O-C 3.51Å; Y183-G186 PolarHBondContact O-N 3.42Å; Y183-E187 HydrophobicContact CD2-CB 3.77Å; Y183-E187 HydrophobicContact CE2-CB 3.92Å; Y183-E187 PolarHBondContact O-N 3.49Å; Y183-C188 HydrophobicContact CD1-CB 4.39Å; Y183-C188 HydrophobicContact CE1-CB 3.93Å; Y183-C188 WeakPolarHBondContact O-CB 3.38Å; Y183-C188 PolarHBondContact O-N 3.13Å
184	L	98.4	Very high	97.8	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-71.3	-37.8	-174.7	-69.9	171	0	0	0	112.8	G124 L150 L154 W180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.39Å; L150-L184 HydrophobicContact CD2-CD1 3.84Å; L154-L184 HydrophobicContact CD2-CD1 3.93Å; W180-L184 HydrophobicContact CE3-CD1 4.47Å; W180-L184 HydrophobicContact CE3-CG 4.49Å; W180-L184 WeakPolarHBondContact O-CB 3.35Å; W180-L184 WeakPolarHBondContact O-CG 3.5Å; W180-L184 PolarHBondContact O-N 3.29Å; R181-L184 PolarHBondContact O-N 2.85Å; L184-V189 WeakPolarHBondContact O-CG2 3.48Å
185	E	97.7	Very high	97.8	Very high	91 Å²	91	61.2 Å²	61.2	43%	0.425	28%	0.28	S	S	.	.	H	α-helix	trans	-80.5	-21.4	176	-68.4	179.7	169.5	0	0	112.8	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.39Å; L133-E185 HydrophobicContact CD2-CG 3.64Å; L154-E185 HydrophobicContact CD1-CG 4.33Å; R181-E185 HydrophobicContact CG-CG 4.13Å; R181-E185 IonicContact CZ-OE1 3.92Å; R181-E185 VanDerWaalsContact CZ-OE1 3.27Å; R181-E185 IonicContact CZ-OE2 3.82Å; R181-E185 IonicContact NE-OE1 3.43Å; R181-E185 PolarHBondContact NE-OE1 2.81Å; R181-E185 IonicContact NE-OE2 3.72Å; R181-E185 PolarHBondContact NE-OE2 2.62Å; R181-E185 IonicContact NH2-OE1 2.92Å; R181-E185 PolarHBondContact NH2-OE1 3.17Å; R181-E185 IonicContact NH2-OE2 3.44Å; R181-E185 PolarHBondContact NH2-OE2 2.98Å; R181-E185 WeakPolarHBondContact O-CB 3.17Å; R181-E185 WeakPolarHBondContact O-CG 3.46Å; R181-E185 PolarHBondContact O-N 2.86Å
186	G	97.6	Very high	97.6	Very high	21 Å²	21	54.4 Å²	54.4	22%	0.216	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-97.6	-177.4	0	0	0	0	0	113	A182 Y183 C188 V189 E190	A182-G186 WeakPolarHBondContact O-CA 3.47Å; A182-G186 PolarHBondContact O-N 3.44Å; A182-G186 VanDerWaalsContact O-N 3.07Å; Y183-G186 CarbonylContact O-C 3.51Å; Y183-G186 PolarHBondContact O-N 3.42Å; G186-C188 VanDerWaalsContact C-N 3.27Å; G186-C188 PolarHBondContact O-N 3.03Å; G186-C188 VanDerWaalsContact O-N 3.14Å; G186-V189 PolarHBondContact O-N 3.01Å; G186-E190 PolarHBondContact O-N 2.87Å
187	E	97.4	Very high	97.5	Very high	92 Å²	92	57.8 Å²	57.8	43%	0.43	27%	0.271	S	S	.	.	H	α-helix	trans	-51.4	-42.4	-171.2	-73.2	-173.7	-145.5	0	0	113.3	Y183 V189 E190 W191	Y183-E187 HydrophobicContact CD2-CB 3.77Å; Y183-E187 HydrophobicContact CE2-CB 3.92Å; Y183-E187 PolarHBondContact O-N 3.49Å; E187-V189 PolarHBondContact O-N 3.45Å; E187-E190 PolarHBondContact O-N 3.01Å; E187-W191 WeakPolarHBondContact O-CB 3.32Å; E187-W191 PolarHBondContact O-N 2.69Å
188	C	98.3	Very high	97.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60	-47.4	-179.3	-170.3	0	0	0	0	111.6	M29 C125 Y183 G186 L192	M29-C188 HydrophobicContact CE-CB 4.21Å; M29-C188 WeakPolarHBondContact CE-O 3.46Å; M29-C188 VanDerWaalsContact CE-SG 3.5Å; C125-C188 HydrophobicContact CB-CB 3.94Å; C125-C188 WeakPolarHBondContact CB-SG 3.49Å; C125-C188 PolarHBondContact N-SG 3.43Å; C125-C188 VanDerWaalsContact N-SG 3.35Å; C125-C188 WeakPolarHBondContact SG-CB 3.45Å; C125-C188 PolarHBondContact SG-O 3.23Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.33Å; Y183-C188 HydrophobicContact CD1-CB 4.39Å; Y183-C188 HydrophobicContact CE1-CB 3.93Å; Y183-C188 WeakPolarHBondContact O-CB 3.38Å; Y183-C188 PolarHBondContact O-N 3.13Å; G186-C188 VanDerWaalsContact C-N 3.27Å; G186-C188 PolarHBondContact O-N 3.03Å; G186-C188 VanDerWaalsContact O-N 3.14Å; C188-L192 WeakPolarHBondContact O-CB 3.24Å; C188-L192 PolarHBondContact O-N 2.88Å
189	V	98.1	Very high	97.3	Very high	7 Å²	7	54.7 Å²	54.7	4%	0.042	26%	0.257	C	S	.	.	H	α-helix	trans	-64.7	-43.4	178.8	172.9	0	0	0	0	110.8	L127 L133 L184 G186 E187 R193	L127-V189 HydrophobicContact CD2-CB 4.15Å; L127-V189 HydrophobicContact CD2-CG1 3.75Å; L127-V189 HydrophobicContact CD2-CG2 3.81Å; L133-V189 HydrophobicContact CB-CG2 4Å; L133-V189 HydrophobicContact CD1-CG2 4.05Å; L184-V189 WeakPolarHBondContact O-CG2 3.48Å; G186-V189 PolarHBondContact O-N 3.01Å; E187-V189 PolarHBondContact O-N 3.45Å; V189-R193 VanDerWaalsContact CG1-CZ 3.45Å; V189-R193 WeakPolarHBondContact O-CG 3.19Å; V189-R193 PolarHBondContact O-N 2.86Å
190	E	97.8	Very high	97.1	Very high	127 Å²	127	53.9 Å²	53.9	59%	0.593	25%	0.252	S	S	*	.	H	α-helix	trans	-62.7	-46.2	179.3	-69.8	179.6	173.8	0	0	112.1	G186 E187 R193 R194	G186-E190 PolarHBondContact O-N 2.87Å; E187-E190 PolarHBondContact O-N 3.01Å; E190-R193 PolarHBondContact O-N 3.3Å; E190-R194 PolarHBondContact O-N 2.92Å; E190-R194 VanDerWaalsContact O-N 3.07Å
191	W	97.8	Very high	96.7	Very high	42 Å²	42	61.4 Å²	61.4	16%	0.159	29%	0.288	C	S	.	.	H	α-helix	trans	-66.3	-43.6	177.8	-81.9	107.4	0	0	0	112.1	M29 Y83 E187 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4Å; M29-W191 HydrophobicContact SD-CB 4.34Å; Y83-W191 AromaticContact CD2-CH2 3.57Å; Y83-W191 HydrophobicContact CD2-CH2 3.57Å; Y83-W191 HydrophobicContact CD2-CZ2 4.28Å; Y83-W191 AromaticContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CE2-CE3 4.25Å; Y83-W191 AromaticContact CE2-CH2 3.93Å; Y83-W191 HydrophobicContact CE2-CH2 3.93Å; Y83-W191 AromaticContact CE2-CZ3 3.74Å; Y83-W191 HydrophobicContact CE2-CZ3 3.74Å; E187-W191 WeakPolarHBondContact O-CB 3.32Å; E187-W191 PolarHBondContact O-N 2.69Å; W191-R193 PolarHBondContact O-N 2.86Å; W191-R194 WeakPolarHBondContact O-CB 3.49Å; W191-R194 PolarHBondContact O-N 3.29Å; W191-Y195 HydrophobicContact CB-CE2 4.01Å; W191-Y195 HydrophobicContact CE3-CD1 4.46Å; W191-Y195 AromaticContact CE3-CE1 3.57Å; W191-Y195 HydrophobicContact CE3-CE1 3.57Å; W191-Y195 HydrophobicContact CE3-CE2 4.21Å; W191-Y195 AromaticContact CE3-CZ 3.41Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.41Å; W191-Y195 AromaticContact CZ3-CE1 3.95Å; W191-Y195 HydrophobicContact CZ3-CE1 3.95Å; W191-Y195 VanDerWaalsContact O-CD2 3.25Å; W191-Y195 WeakPolarHBondContact O-CD2 3.22Å; W191-Y195 VanDerWaalsContact O-CG 3.24Å; W191-Y195 PolarHBondContact O-N 3.34Å
192	L	98	Very high	96.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.2	-44.9	177.2	175.4	50.3	0	0	0	111.3	H27 M29 V52 L127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.46Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.97Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.36Å; M29-L192 HydrophobicContact SD-CB 4.47Å; V52-L192 HydrophobicContact CG1-CD1 3.59Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; L127-L192 HydrophobicContact CB-CD2 4.5Å; L127-L192 HydrophobicContact CD1-CB 4.26Å; L127-L192 HydrophobicContact CD1-CD2 3.72Å; L127-L192 HydrophobicContact CD1-CG 3.73Å; L127-L192 HydrophobicContact CD2-CD2 4.48Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.17Å; C188-L192 WeakPolarHBondContact O-CB 3.24Å; C188-L192 PolarHBondContact O-N 2.88Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.08Å; L192-Y195 PolarHBondContact O-N 3.46Å; L192-L196 HydrophobicContact CD1-CD1 3.84Å; L192-L196 HydrophobicContact CD1-CD2 4.37Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.48Å; L192-L196 WeakPolarHBondContact O-CB 3.33Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.39Å; L192-L196 PolarHBondContact O-N 3.43Å
193	R	96.4	Very high	95.9	Very high	120 Å²	120	57.2 Å²	57.2	45%	0.453	26%	0.264	S	S	.	.	H	α-helix	trans	-59.5	-43.5	174.6	-72.5	176.8	-173.8	154.6	-1.2	112.4	L127 G131 V189 E190 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.89Å; G131-R193 VanDerWaalsContact O-CZ 3.26Å; G131-R193 PolarHBondContact O-NE 3.04Å; G131-R193 PolarHBondContact O-NH2 3.45Å; V189-R193 VanDerWaalsContact CG1-CZ 3.45Å; V189-R193 WeakPolarHBondContact O-CG 3.19Å; V189-R193 PolarHBondContact O-N 2.86Å; E190-R193 PolarHBondContact O-N 3.3Å; W191-R193 PolarHBondContact O-N 2.86Å; R193-L196 PolarHBondContact O-N 3Å; R193-E197 PolarHBondContact O-N 3.47Å
194	R	96.8	Very high	95.4	Very high	123 Å²	123	59.5 Å²	59.5	46%	0.464	28%	0.276	S	S	.	.	H	α-helix	trans	-61.2	-44.1	176.6	178.6	178.8	174.3	118.1	-4.9	111.5	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 2.75Å; E79-R194 IonicContact OE1-NE 3.27Å; E79-R194 PolarHBondContact OE1-NE 3.41Å; E79-R194 IonicContact OE1-NH2 3.71Å; E79-R194 PolarHBondContact OE1-NH2 2.96Å; E79-R194 IonicContact OE2-CZ 3.71Å; E79-R194 IonicContact OE2-NE 3.64Å; E79-R194 IonicContact OE2-NH2 3.82Å; E79-R194 PolarHBondContact OE2-NH2 3.16Å; E190-R194 PolarHBondContact O-N 2.92Å; E190-R194 VanDerWaalsContact O-N 3.07Å; W191-R194 WeakPolarHBondContact O-CB 3.49Å; W191-R194 PolarHBondContact O-N 3.29Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.08Å; R194-E197 PolarHBondContact O-N 3.04Å; R194-N198 WeakPolarHBondContact O-CB 3.46Å; R194-N198 PolarHBondContact O-N 2.93Å; R194-N198 PolarHBondContact O-OD1 3.33Å
195	Y	97.2	Very high	95	Very high	1 Å²	1	64 Å²	64	0%	0.004	29%	0.293	C	S	.	.	H	α-helix	trans	-67.4	-39.1	178.6	-61.9	-32.2	0	0	0	112.6	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.73Å; M29-Y195 HydrophobicContact SD-CE2 3.57Å; M29-Y195 VanDerWaalsContact SD-CE2 3.57Å; V52-Y195 HydrophobicContact CG2-CD2 3.91Å; V52-Y195 HydrophobicContact CG2-CG 4.4Å; F57-Y195 HydrophobicContact CE2-CD2 4.48Å; F57-Y195 AromaticContact CE2-CE2 3.8Å; F57-Y195 HydrophobicContact CE2-CE2 3.8Å; F57-Y195 AromaticContact CE2-CZ 3.96Å; F57-Y195 HydrophobicContact CZ-CD2 4.38Å; F57-Y195 AromaticContact CZ-CE2 3.81Å; F57-Y195 HydrophobicContact CZ-CE2 3.81Å; W75-Y195 HydrophobicContact CE3-CD1 4.23Å; W75-Y195 HydrophobicContact CE3-CG 4.47Å; W75-Y195 HydrophobicContact CH2-CG 4.13Å; W75-Y195 AromaticContact CZ3-CD1 3.58Å; W75-Y195 HydrophobicContact CZ3-CD1 3.58Å; W75-Y195 HydrophobicContact CZ3-CD2 4.3Å; W75-Y195 HydrophobicContact CZ3-CE1 4.3Å; W75-Y195 AromaticContact CZ3-CG 3.58Å; W75-Y195 HydrophobicContact CZ3-CG 3.58Å; V76-Y195 HydrophobicContact CG2-CE1 4.38Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.49Å; Y83-Y195 PolarHBondContact OH-OH 2.04Å; W191-Y195 HydrophobicContact CB-CE2 4.01Å; W191-Y195 HydrophobicContact CE3-CD1 4.46Å; W191-Y195 AromaticContact CE3-CE1 3.57Å; W191-Y195 HydrophobicContact CE3-CE1 3.57Å; W191-Y195 HydrophobicContact CE3-CE2 4.21Å; W191-Y195 AromaticContact CE3-CZ 3.41Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.41Å; W191-Y195 AromaticContact CZ3-CE1 3.95Å; W191-Y195 HydrophobicContact CZ3-CE1 3.95Å; W191-Y195 VanDerWaalsContact O-CD2 3.25Å; W191-Y195 WeakPolarHBondContact O-CD2 3.22Å; W191-Y195 VanDerWaalsContact O-CG 3.24Å; W191-Y195 PolarHBondContact O-N 3.34Å; L192-Y195 PolarHBondContact O-N 3.46Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.86Å; Y195-N198 PolarHBondContact O-N 3.26Å; Y195-G199 WeakPolarHBondContact O-CA 3.43Å; Y195-G199 PolarHBondContact O-N 3.08Å; Y195-L203 WeakPolarHBondContact O-CD1 3.04Å
196	L	95.6	Very high	94.6	Very high	13 Å²	13	61.8 Å²	61.8	7%	0.068	29%	0.29	C	S	.	.	H	α-helix	trans	-63.1	-35.8	174.7	-71.2	169.5	0	0	0	112.5	H27 V52 L127 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.65Å; H27-L196 HydrophobicContact CB-CD2 3.96Å; H27-L196 HydrophobicContact CB-CG 4.39Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.42Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; L127-L196 HydrophobicContact CD1-CD1 4.48Å; L192-L196 HydrophobicContact CD1-CD1 3.84Å; L192-L196 HydrophobicContact CD1-CD2 4.37Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.48Å; L192-L196 WeakPolarHBondContact O-CB 3.33Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.39Å; L192-L196 PolarHBondContact O-N 3.43Å; R193-L196 PolarHBondContact O-N 3Å; L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.38Å; L196-K200 WeakPolarHBondContact O-CB 3.42Å; L196-K200 PolarHBondContact O-N 3.35Å; L196-K200 VanDerWaalsContact O-N 3.11Å; L196-L203 HydrophobicContact CD2-CB 4.13Å; L196-L203 HydrophobicContact CD2-CD1 4.3Å; L196-Q204 PolarHBondContact O-NE2 3.37Å
197	E	95.4	Very high	94.4	Very high	127 Å²	127	63.7 Å²	63.7	59%	0.593	29%	0.294	S	S	*	.	H	α-helix	trans	-72	-48	174.4	-171.2	60.2	-151.1	0	0	111.2	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.47Å; R194-E197 PolarHBondContact O-N 3.04Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.86Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 3.16Å; E197-K200 WeakPolarHBondContact O-CB 3.29Å; E197-K200 PolarHBondContact O-N 2.8Å
198	N	96.3	Very high	94.3	Very high	49 Å²	49	64.5 Å²	64.5	26%	0.262	30%	0.297	S	S	.	.	H	α-helix	trans	-60.4	-39.7	178.8	-69.8	-6.1	0	0	0	112.6	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.37Å; W75-N198 WeakPolarHBondContact CB-O 3.35Å; Q78-N198 VanDerWaalsContact NE2-CB 3.27Å; Q78-N198 PolarHBondContact NE2-ND2 2.86Å; Q78-N198 PolarHBondContact NE2-OD1 3.09Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.12Å; E79-N198 PolarHBondContact OE1-ND2 3.41Å; R194-N198 WeakPolarHBondContact O-CB 3.46Å; R194-N198 PolarHBondContact O-N 2.93Å; R194-N198 PolarHBondContact O-OD1 3.33Å; Y195-N198 PolarHBondContact O-N 3.26Å
199	G	95.1	Very high	94.3	Very high	2 Å²	2	64.7 Å²	64.7	2%	0.021	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	18.9	-175.4	0	0	0	0	0	113.7	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.43Å; Y195-G199 PolarHBondContact O-N 3.08Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 3.16Å; G199-E201 VanDerWaalsContact C-N 3.27Å; G199-E201 PolarHBondContact O-N 2.91Å; G199-E201 VanDerWaalsContact O-N 3.15Å; G199-T202 CarbonylContact O-C 3.58Å; G199-T202 WeakPolarHBondContact O-CA 3.48Å; G199-T202 PolarHBondContact O-N 2.86Å; G199-T202 PolarHBondContact O-OG1 3.18Å; G199-L203 WeakPolarHBondContact O-CB 3.13Å; G199-L203 PolarHBondContact O-N 2.91Å
200	K	92.8	Very high	94.3	Very high	109 Å²	109	71.2 Å²	71.2	47%	0.474	33%	0.326	S	S	.	.	H	α-helix	trans	-49.5	-43.9	-171.7	-177.7	172.1	-174.8	173.6	0	113.9	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.38Å; L196-K200 WeakPolarHBondContact O-CB 3.42Å; L196-K200 PolarHBondContact O-N 3.35Å; L196-K200 VanDerWaalsContact O-N 3.11Å; E197-K200 WeakPolarHBondContact O-CB 3.29Å; E197-K200 PolarHBondContact O-N 2.8Å; K200-T202 PolarHBondContact O-N 3.13Å; K200-Q204 HydrophobicContact CG-CB 4.48Å; K200-Q204 HydrophobicContact CG-CG 4.5Å; K200-Q204 WeakPolarHBondContact O-CB 3.06Å; K200-Q204 PolarHBondContact O-N 3.03Å; K200-Q204 VanDerWaalsContact O-N 3.16Å
201	E	90	Very high	94.3	Very high	181 Å²	181	66.8 Å²	66.8	85%	0.846	31%	0.308	S	S	*	.	H	α-helix	trans	-63.5	-26.6	179.4	-62.7	-175.3	167.8	0	0	113.3	G199 R205	G199-E201 VanDerWaalsContact C-N 3.27Å; G199-E201 PolarHBondContact O-N 2.91Å; G199-E201 VanDerWaalsContact O-N 3.15Å; E201-R205 WeakPolarHBondContact O-CD 3.21Å
202	T	89.3	Confident	94.2	Very high	47 Å²	47	68.6 Å²	68.6	29%	0.288	32%	0.318	S	S	.	.	H	α-helix	trans	-105.8	-32.5	-175.6	52.7	0	0	0	0	114.5	W75 G199 K200 R205	W75-T202 VanDerWaalsContact CD1-OG1 3.26Å; G199-T202 CarbonylContact O-C 3.58Å; G199-T202 WeakPolarHBondContact O-CA 3.48Å; G199-T202 PolarHBondContact O-N 2.86Å; G199-T202 PolarHBondContact O-OG1 3.18Å; K200-T202 PolarHBondContact O-N 3.13Å; T202-R205 WeakPolarHBondContact O-CG 3.35Å; T202-R205 PolarHBondContact O-NE 2.82Å; T202-R205 VanDerWaalsContact O-NE 3.15Å
203	L	90.4	Very high	94.2	Very high	4 Å²	4	69.7 Å²	69.7	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-96.5	-27.5	-173.5	-64.3	173.1	0	0	0	112.5	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.19Å; V52-L203 HydrophobicContact CG1-CD1 3.85Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; T55-L203 HydrophobicContact CG2-CD2 4.19Å; W75-L203 HydrophobicContact CD2-CD1 4.45Å; W75-L203 HydrophobicContact CH2-CD1 4.44Å; W75-L203 HydrophobicContact CZ2-CD1 3.88Å; W75-L203 HydrophobicContact CZ2-CD2 4.2Å; W75-L203 HydrophobicContact CZ2-CG 4.46Å; Y195-L203 WeakPolarHBondContact O-CD1 3.04Å; L196-L203 HydrophobicContact CD2-CB 4.13Å; L196-L203 HydrophobicContact CD2-CD1 4.3Å; G199-L203 WeakPolarHBondContact O-CB 3.13Å; G199-L203 PolarHBondContact O-N 2.91Å
204	Q	87.9	Confident	94.3	Very high	93 Å²	93	65.6 Å²	65.6	44%	0.435	31%	0.313	S	S	.	.	S	Bend	trans	-103.9	20.5	177.7	-57.2	178.7	31.9	0	0	111.7	L196 K200	L196-Q204 PolarHBondContact O-NE2 3.37Å; K200-Q204 HydrophobicContact CG-CB 4.48Å; K200-Q204 HydrophobicContact CG-CG 4.5Å; K200-Q204 WeakPolarHBondContact O-CB 3.06Å; K200-Q204 PolarHBondContact O-N 3.03Å; K200-Q204 VanDerWaalsContact O-N 3.16Å
205	R	88.3	Confident	94.2	Very high	94 Å²	94	62.2 Å²	62.2	36%	0.355	30%	0.303	S	S	.	.			trans	-95.8	146.1	170.9	73.2	-174.5	170.8	152.7	11.6	109.2	E201 T202 E207 Y233	E201-R205 WeakPolarHBondContact O-CD 3.21Å; T202-R205 WeakPolarHBondContact O-CG 3.35Å; T202-R205 PolarHBondContact O-NE 2.82Å; T202-R205 VanDerWaalsContact O-NE 3.15Å; R205-E207 IonicContact CZ-OE1 2.83Å; R205-E207 IonicContact NE-OE1 3.12Å; R205-E207 IonicContact NH1-OE1 2.66Å; R205-E207 PolarHBondContact NH1-OE1 2.91Å; R205-E207 IonicContact NH2-OE1 3.66Å; R205-E207 PolarHBondContact NH2-OE1 3.05Å; R205-Y233 HydrophobicContact CG-CD1 4.31Å; R205-Y233 VanDerWaalsContact O-CD1 3.3Å; R205-Y233 WeakPolarHBondContact O-CD1 3.33Å
206	A	91.2	Very high	94.1	Very high	45 Å²	45	66 Å²	66	37%	0.372	32%	0.32	S	S	.	.			trans	-116.5	121.2	164.8	0	0	0	0	0	108.5	Y233	A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 WeakPolarHBondContact CA-O 3.29Å
207	E	93.3	Very high	94.1	Very high	61 Å²	61	70 Å²	70	29%	0.285	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-96.4	119.4	173.1	-67	-169.3	-151.6	0	0	108.6	R205 F232 Y233 H287	R205-E207 IonicContact CZ-OE1 2.83Å; R205-E207 IonicContact NE-OE1 3.12Å; R205-E207 IonicContact NH1-OE1 2.66Å; R205-E207 PolarHBondContact NH1-OE1 2.91Å; R205-E207 IonicContact NH2-OE1 3.66Å; R205-E207 PolarHBondContact NH2-OE1 3.05Å; E207-F232 WeakPolarHBondContact O-CA 3.46Å; E207-F232 WeakPolarHBondContact O-CB 3.41Å; E207-Y233 PolarHBondContact N-O 2.92Å; E207-Y233 PolarHBondContact O-N 2.83Å; E207-Y233 VanDerWaalsContact O-N 3.09Å; E207-H287 PolarHBondContact O-CE1 2.82Å
208	H	94.7	Very high	93.9	Very high	110 Å²	110	68.5 Å²	68.5	51%	0.509	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-69.9	145.7	-178.6	58	-99.4	0	0	0	111.7	K210 L290	H208-K210 PolarHBondContact O-N 3.15Å; H208-L290 HydrophobicContact CB-CD2 3.92Å
209	P	97.4	Very high	93.7	Very high	4 Å²	4	68.6 Å²	68.6	3%	0.026	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-67.5	132.1	177.4	28.3	-34.9	0	0	0	111.4	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.89Å; P209-T211 HydrophobicContact CG-CG2 4.09Å; P209-T211 PolarHBondContact O-N 2.7Å; P209-A229 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CD1 3.98Å; P209-F232 HydrophobicContact CB-CG 4.21Å; P209-I237 HydrophobicContact CB-CD1 4.01Å; P209-I237 HydrophobicContact CG-CD1 4.11Å; P209-V285 HydrophobicContact CG-CG1 3.94Å; P209-H287 HydrophobicContact CG-CB 4.11Å; P209-L290 HydrophobicContact CG-CD1 3.76Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.16Å
210	K	97.8	Very high	93.4	Very high	143 Å²	143	75.7 Å²	75.7	62%	0.622	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	109.1	163.9	-65.7	170.8	-173	164	0	107.9	H208 L230	H208-K210 PolarHBondContact O-N 3.15Å; K210-L230 PolarHBondContact N-O 3.3Å; K210-L230 PolarHBondContact O-N 2.81Å
211	T	97.8	Very high	93.4	Very high	34 Å²	34	77.3 Å²	77.3	21%	0.209	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	143.2	-171.4	59.1	0	0	0	0	113.2	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.89Å; P209-T211 HydrophobicContact CG-CG2 4.09Å; P209-T211 PolarHBondContact O-N 2.7Å; T211-W228 WeakPolarHBondContact CA-O 3.44Å; T211-W228 WeakPolarHBondContact CB-O 3.28Å; T211-A229 HydrophobicContact CG2-CB 4.32Å; T211-V285 HydrophobicContact CG2-CB 4.44Å; T211-V285 HydrophobicContact CG2-CG1 4.15Å; T211-V285 HydrophobicContact CG2-CG2 4.07Å; T211-L294 HydrophobicContact CG2-CD1 4.4Å; T211-L296 VanDerWaalsContact CB-CD1 3.41Å; T211-L296 HydrophobicContact CG2-CD1 4.14Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.37Å
212	H	97.1	Very high	93.7	Very high	81 Å²	81	73.2 Å²	73.2	38%	0.375	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	161.2	171.6	62.6	-76.3	0	0	0	110.6	W228	H212-W228 VanDerWaalsContact CE1-CB 3.44Å; H212-W228 WeakPolarHBondContact CE1-CB 3.39Å; H212-W228 AromaticContact CE1-CD1 3.98Å; H212-W228 AromaticContact CE1-CG 3.72Å; H212-W228 PolarHBondContact N-O 2.87Å; H212-W228 AromaticContact NE2-CD1 3.52Å; H212-W228 AromaticContact NE2-CG 3.72Å; H212-W228 PolarHBondContact O-N 2.84Å
213	V	98.1	Very high	94	Very high	23 Å²	23	71 Å²	71	14%	0.139	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124	176.7	-179.3	0	0	0	0	109.5	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 3.55Å; V213-R226 WeakPolarHBondContact CA-O 3.28Å; V213-C227 HydrophobicContact CG2-CB 4.44Å; V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.29Å; V213-W241 HydrophobicContact CG2-CH2 4.28Å; V213-L296 HydrophobicContact CG2-CB 3.93Å; V213-W298 HydrophobicContact CB-CB 4.47Å; V213-W298 HydrophobicContact CG1-CB 3.85Å
214	T	96.9	Very high	94.3	Very high	34 Å²	34	71.9 Å²	71.9	21%	0.209	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	148.8	171.8	63.5	0	0	0	0	110.6	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-NE2 2.85Å; T214-L225 WeakPolarHBondContact O-CA 3.34Å; T214-R226 PolarHBondContact N-O 3.3Å; T214-R226 PolarHBondContact O-N 3.05Å; T214-W228 PolarHBondContact OG1-NE1 2.81Å
215	H	96.2	Very high	94.8	Very high	52 Å²	52	67.5 Å²	67.5	24%	0.241	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.4	178.9	169.8	-92.5	0	0	0	109.6	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.38Å; H215-L225 HydrophobicContact CB-CD2 3.99Å; H215-E278 IonicContact NE2-OE1 3.91Å; H215-W298 HydrophobicContact CB-CD2 4.11Å; H215-W298 HydrophobicContact CB-CG 4.16Å; H215-W298 HydrophobicContact CB-CZ2 4.01Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å; H215-W298 AromaticContact CG-CE2 3.78Å; H215-W298 AromaticContact CG-CZ2 3.79Å; H215-W298 AromaticContact ND1-CZ2 3.98Å
216	H	95.2	Very high	95.3	Very high	79 Å²	79	65.5 Å²	65.5	37%	0.366	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	104	-178.8	-57.3	-70.8	0	0	0	109.3	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-NE2 2.85Å; H216-V218 PolarHBondContact O-N 2.87Å; H216-A223 CarbonylContact O-C 3.6Å; H216-A223 WeakPolarHBondContact O-CA 3Å; H216-T224 PolarHBondContact N-O 3.24Å; H216-T224 PolarHBondContact O-N 3.07Å; H216-R226 PolarHBondContact CD2-NH1 2.63Å; H216-R226 VanDerWaalsContact CD2-NH1 3.31Å; H216-R226 PolarHBondContact NE2-NH1 2.84Å; H216-R226 VanDerWaalsContact NE2-NH1 3.13Å
217	P	94.1	Very high	95.6	Very high	99 Å²	99	63.3 Å²	63.3	64%	0.643	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.2	131.9	173.5	-19.7	29.9	0	0	0	110.6
218	V	91.6	Very high	95.9	Very high	94 Å²	94	62.7 Å²	62.7	57%	0.57	32%	0.319	S	S	*	.			trans	-105.1	-41.7	175.9	-179.3	0	0	0	0	110.1	H216 E222 T224	H216-V218 PolarHBondContact O-N 2.87Å; V218-E222 PolarHBondContact N-O 2.9Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.34Å
219	S	92.1	Very high	96.1	Very high	52 Å²	52	57.5 Å²	57.5	36%	0.364	30%	0.295	S	S	.	.	S	Bend	trans	-148	-178.3	175.3	72	0	0	0	0	110.6	H221 E222	S219-H221 PolarHBondContact O-N 3.19Å; S219-H221 VanDerWaalsContact O-N 3.17Å; S219-H221 PolarHBondContact OG-N 3.43Å; S219-H221 VanDerWaalsContact OG-N 3.17Å; S219-E222 PolarHBondContact N-O 3.2Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 2.99Å
220	D	89.6	Confident	96.1	Very high	150 Å²	150	59.9 Å²	59.9	80%	0.802	31%	0.307	S	S	*	.	S	Bend	trans	-66.4	-9.4	172.5	-65.3	-20.9	0	0	0	113.3
221	H	93	Very high	96	Very high	144 Å²	144	53.9 Å²	53.9	67%	0.667	29%	0.286	S	S	*	.	S	Bend	trans	-117	-15.5	-175.5	-54.9	-42.9	0	0	0	113.4	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.19Å; S219-H221 VanDerWaalsContact O-N 3.17Å; S219-H221 PolarHBondContact OG-N 3.43Å; S219-H221 VanDerWaalsContact OG-N 3.17Å; H221-P274 CarbonylContact O-C 3.54Å; H221-P274 WeakPolarHBondContact O-CA 3.42Å; H221-S275 PolarHBondContact O-N 2.91Å; H221-S275 PolarHBondContact O-OG 3.08Å
222	E	95.3	Very high	96	Very high	94 Å²	94	52.2 Å²	52.2	44%	0.439	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	144.9	-171.4	-66.5	-180	168.6	0	0	112.2	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.9Å; S219-E222 PolarHBondContact N-O 3.2Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 2.99Å; E222-V272 HydrophobicContact CB-CG1 4.11Å; E222-V272 HydrophobicContact CG-CG1 4.32Å; E222-V273 WeakPolarHBondContact CA-O 3.28Å; E222-S275 PolarHBondContact N-OG 3.29Å
223	A	96	Very high	95.8	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.008	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	156.1	170.8	0	0	0	0	0	110.7	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.38Å; H216-A223 CarbonylContact O-C 3.6Å; H216-A223 WeakPolarHBondContact O-CA 3Å; A223-V272 WeakPolarHBondContact O-CA 3.4Å; A223-V273 HydrophobicContact CB-CG2 4.47Å; A223-V273 PolarHBondContact N-O 3.19Å; A223-V273 WeakPolarHBondContact O-CG2 3.35Å; A223-V273 PolarHBondContact O-N 3.06Å
224	T	97.6	Very high	95.6	Very high	23 Å²	23	48.4 Å²	48.4	14%	0.141	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123.6	169.6	-54.8	0	0	0	0	109.5	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 3.24Å; H216-T224 PolarHBondContact O-N 3.07Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.34Å; T224-A270 HydrophobicContact CG2-CB 3.9Å; T224-V271 WeakPolarHBondContact CA-O 3.47Å
225	L	98.1	Very high	95.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.6	164.8	-63.1	-176.9	0	0	0	108.9	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 3.34Å; H215-L225 HydrophobicContact CB-CD2 3.99Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 4.02Å; L225-W241 HydrophobicContact CD1-CZ3 4.2Å; L225-A270 CarbonylContact O-C 3.49Å; L225-A270 WeakPolarHBondContact O-CA 3.38Å; L225-V271 HydrophobicContact CB-CG2 4.18Å; L225-V271 PolarHBondContact N-O 2.89Å; L225-V271 PolarHBondContact O-N 2.92Å; L225-V273 HydrophobicContact CD1-CG1 4.04Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.2Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; L225-E278 HydrophobicContact CD1-CB 4.13Å; L225-E278 HydrophobicContact CD2-CG 4.38Å; L225-W298 HydrophobicContact CD1-CB 4.42Å; L225-W298 HydrophobicContact CD2-CB 3.84Å; L225-W298 HydrophobicContact CD2-CD2 4.37Å; L225-W298 HydrophobicContact CD2-CG 3.96Å
226	R	98.3	Very high	95.4	Very high	52 Å²	52	52.6 Å²	52.6	20%	0.196	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	117.6	176.5	-176.2	178.7	-65.2	112.9	0.8	110.3	V213 T214 H216 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.55Å; V213-R226 WeakPolarHBondContact CA-O 3.28Å; T214-R226 PolarHBondContact N-O 3.3Å; T214-R226 PolarHBondContact O-N 3.05Å; H216-R226 PolarHBondContact CD2-NH1 2.63Å; H216-R226 VanDerWaalsContact CD2-NH1 3.31Å; H216-R226 PolarHBondContact NE2-NH1 2.84Å; H216-R226 VanDerWaalsContact NE2-NH1 3.13Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; R226-W268 HydrophobicContact CG-CB 3.98Å; R226-W268 HydrophobicContact CG-CD2 4.08Å; R226-W268 HydrophobicContact CG-CE3 3.87Å; R226-W268 HydrophobicContact CG-CG 4.18Å; R226-A269 WeakPolarHBondContact CA-O 3.42Å; R226-A270 HydrophobicContact CB-CB 4.09Å; R226-A270 HydrophobicContact CG-CB 4.16Å
227	C	98.3	Very high	95.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	121.5	174.7	-173.4	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.44Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; C227-W268 CarbonylContact O-C 3.54Å; C227-W268 WeakPolarHBondContact O-CA 3.48Å; C227-W268 WeakPolarHBondContact O-CB 3.34Å; C227-A269 PolarHBondContact N-O 2.89Å; C227-A269 PolarHBondContact O-N 2.79Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.49Å; C227-C283 WeakPolarHBondContact SG-CB 3.34Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.98Å
228	W	98.4	Very high	95.5	Very high	48 Å²	48	47.4 Å²	47.4	18%	0.182	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	141.4	179.5	-69.8	89.3	0	0	0	110.6	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.44Å; T211-W228 WeakPolarHBondContact CB-O 3.28Å; H212-W228 VanDerWaalsContact CE1-CB 3.44Å; H212-W228 WeakPolarHBondContact CE1-CB 3.39Å; H212-W228 AromaticContact CE1-CD1 3.98Å; H212-W228 AromaticContact CE1-CG 3.72Å; H212-W228 PolarHBondContact N-O 2.87Å; H212-W228 AromaticContact NE2-CD1 3.52Å; H212-W228 AromaticContact NE2-CG 3.72Å; H212-W228 PolarHBondContact O-N 2.84Å; T214-W228 PolarHBondContact OG1-NE1 2.81Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; W228-L230 HydrophobicContact CE3-CD2 3.87Å; W228-L230 HydrophobicContact CZ3-CD2 4.41Å; W228-W268 HydrophobicContact CD2-CB 3.98Å; W228-W268 HydrophobicContact CD2-CG 4.48Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.9Å; W228-W268 HydrophobicContact CE3-CG 4.21Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.66Å; W228-W268 HydrophobicContact CH2-CG 4.29Å; W228-W268 HydrophobicContact CZ3-CB 4.31Å; W228-W268 AromaticContact CZ3-CD1 3.43Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.43Å; W228-W268 HydrophobicContact CZ3-CG 4.13Å
229	A	98.4	Very high	95.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	122.8	162.6	0	0	0	0	0	107.8	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.87Å; T211-A229 HydrophobicContact CG2-CB 4.32Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.86Å; A229-F232 WeakPolarHBondContact O-CE1 3.41Å; A229-I237 HydrophobicContact CB-CD1 3.67Å; A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.14Å; A229-Q266 CarbonylContact O-C 3.53Å; A229-Q266 VanDerWaalsContact O-CA 3.27Å; A229-Q266 WeakPolarHBondContact O-CA 3.36Å; A229-K267 PolarHBondContact N-O 3.36Å; A229-K267 PolarHBondContact O-N 3.4Å; A229-K267 VanDerWaalsContact O-O 3.09Å
230	L	98.1	Very high	96	Very high	54 Å²	54	42.6 Å²	42.6	28%	0.283	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	148	-174.8	-57.8	177.1	0	0	0	111	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 3.3Å; K210-L230 PolarHBondContact O-N 2.81Å; W228-L230 HydrophobicContact CE3-CD2 3.87Å; W228-L230 HydrophobicContact CZ3-CD2 4.41Å; L230-F232 PolarHBondContact O-N 3.4Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å
231	G	96.9	Very high	96.4	Very high	17 Å²	17	35.6 Å²	35.6	18%	0.175	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.7	33	168.5	0	0	0	0	0	113.8	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.38Å; G231-F265 PolarHBondContact N-O 2.91Å
232	F	96.4	Very high	96.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	155.6	179.2	60.4	-90.8	0	0	0	112.3	E207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.46Å; E207-F232 WeakPolarHBondContact O-CB 3.41Å; P209-F232 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CD1 3.98Å; P209-F232 HydrophobicContact CB-CG 4.21Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.86Å; A229-F232 WeakPolarHBondContact O-CE1 3.41Å; L230-F232 PolarHBondContact O-N 3.4Å; F232-P234 WeakPolarHBondContact CD2-O 3.42Å; F232-I237 HydrophobicContact CD1-CD1 3.85Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 4Å; F232-I237 HydrophobicContact CE1-CD1 3.8Å; F232-I237 HydrophobicContact CE1-CG2 4.38Å; F232-I237 HydrophobicContact CE2-CB 3.77Å; F232-I237 HydrophobicContact CE2-CD1 3.98Å; F232-I237 HydrophobicContact CE2-CG1 4.46Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 3.96Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.89Å; F232-I237 HydrophobicContact CZ-CG2 3.51Å; F232-T257 HydrophobicContact CE2-CG2 4.02Å; F232-T257 HydrophobicContact CZ-CG2 3.79Å; F232-T264 WeakPolarHBondContact O-CA 3.22Å; F232-F265 WeakPolarHBondContact CD1-O 3.38Å; F232-F265 HydrophobicContact CD2-CB 3.94Å; F232-F265 HydrophobicContact CE1-CB 4.26Å; F232-F265 WeakPolarHBondContact CE1-O 3.28Å; F232-F265 HydrophobicContact CE2-CB 3.48Å; F232-F265 VanDerWaalsContact CE2-CB 3.48Å; F232-F265 HydrophobicContact CE2-CG 4.46Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.64Å; F232-F265 PolarHBondContact N-O 2.83Å; F232-F265 PolarHBondContact O-N 3.27Å; F232-K267 HydrophobicContact CE1-CB 4.35Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; F232-H287 AromaticContact CD2-CD2 3.84Å; F232-H287 AromaticContact CD2-NE2 3.67Å
233	Y	94.3	Very high	96.8	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.016	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-152.3	135.2	173.4	177.1	-83.6	0	0	0	108.5	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.11Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.26Å; T55-Y233 PolarHBondContact OG1-OH 3.38Å; T55-Y233 VanDerWaalsContact OG1-OH 3.05Å; R205-Y233 HydrophobicContact CG-CD1 4.31Å; R205-Y233 VanDerWaalsContact O-CD1 3.3Å; R205-Y233 WeakPolarHBondContact O-CD1 3.33Å; A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 WeakPolarHBondContact CA-O 3.29Å; E207-Y233 PolarHBondContact N-O 2.92Å; E207-Y233 PolarHBondContact O-N 2.83Å; E207-Y233 VanDerWaalsContact O-N 3.09Å; Y233-G263 WeakPolarHBondContact CD2-O 3.47Å; Y233-F265 HydrophobicContact CD2-CD2 4.47Å; Y233-F265 AromaticContact CD2-CE2 3.98Å; Y233-F265 HydrophobicContact CD2-CE2 3.98Å; Y233-H287 PolarHBondContact O-CE1 3.3Å
234	P	93.3	Very high	96.7	Very high	19 Å²	19	34.3 Å²	34.3	12%	0.123	18%	0.175	C	C	.	.	S	Bend	cis	-74.4	-178.2	4.7	31.5	-37	0	0	0	113.5	D54 F232 E236 H287	D54-P234 VanDerWaalsContact OD2-CB 3.3Å; D54-P234 WeakPolarHBondContact OD2-CB 3.41Å; F232-P234 WeakPolarHBondContact CD2-O 3.42Å; P234-E236 VanDerWaalsContact C-N 3.3Å; P234-E236 PolarHBondContact O-N 3.46Å; P234-H287 PolarHBondContact O-NE2 3.03Å
235	T	93.9	Very high	96.5	Very high	34 Å²	34	35.5 Å²	35.5	21%	0.209	19%	0.192	C	C	.	.	S	Bend	trans	-68.7	-25.1	-175.2	-159.2	0	0	0	0	113.7	D54 I237 T257 F265	D54-T235 VanDerWaalsContact CG-CG2 3.43Å; D54-T235 WeakPolarHBondContact OD1-CG2 3.43Å; D54-T235 WeakPolarHBondContact OD2-CB 3.42Å; D54-T235 VanDerWaalsContact OD2-CG2 3.29Å; D54-T235 WeakPolarHBondContact OD2-CG2 3.3Å; D54-T235 PolarHBondContact OD2-N 2.98Å; T235-I237 PolarHBondContact O-N 3.03Å; T235-T257 VanDerWaalsContact OG1-CG2 3.32Å; T235-T257 WeakPolarHBondContact OG1-CG2 3.38Å; T235-F265 WeakPolarHBondContact OG1-CD1 3.43Å
236	E	94	Very high	96.3	Very high	140 Å²	140	42.4 Å²	42.4	65%	0.654	22%	0.224	S	C	*	.			trans	-68.7	114.4	-176.8	-170.7	58.2	-138.4	0	0	110	P234 H287	P234-E236 VanDerWaalsContact C-N 3.3Å; P234-E236 PolarHBondContact O-N 3.46Å; E236-H287 PolarHBondContact O-CD2 3.23Å
237	I	95.4	Very high	96.2	Very high	11 Å²	11	44.5 Å²	44.5	6%	0.056	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	140.6	-178.6	-163.8	170.8	0	0	0	109.6	P209 A229 F232 T235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.01Å; P209-I237 HydrophobicContact CG-CD1 4.11Å; A229-I237 HydrophobicContact CB-CD1 3.67Å; F232-I237 HydrophobicContact CD1-CD1 3.85Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 4Å; F232-I237 HydrophobicContact CE1-CD1 3.8Å; F232-I237 HydrophobicContact CE1-CG2 4.38Å; F232-I237 HydrophobicContact CE2-CB 3.77Å; F232-I237 HydrophobicContact CE2-CD1 3.98Å; F232-I237 HydrophobicContact CE2-CG1 4.46Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 3.96Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.89Å; F232-I237 HydrophobicContact CZ-CG2 3.51Å; T235-I237 PolarHBondContact O-N 3.03Å; I237-L239 HydrophobicContact CB-CD1 4.42Å; I237-L239 HydrophobicContact CD1-CD1 3.65Å; I237-L239 HydrophobicContact CG1-CD1 3.61Å; I237-L239 HydrophobicContact CG2-CD1 4.05Å; I237-K267 HydrophobicContact CG2-CB 4.27Å; I237-K267 HydrophobicContact CG2-CD 3.61Å; I237-V285 HydrophobicContact CD1-CG1 3.99Å; I237-V285 HydrophobicContact CG1-CG1 4.3Å; I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.5Å; I237-H287 HydrophobicContact CD1-CB 4.27Å; I237-H287 HydrophobicContact CG1-CB 4.04Å
238	T	96.8	Very high	96	Very high	59 Å²	59	45.8 Å²	45.8	36%	0.362	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.8	174.3	-62.8	0	0	0	0	110.1	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4Å; T238-V285 WeakPolarHBondContact O-CA 3.36Å; T238-Q286 PolarHBondContact N-O 3.12Å; T238-Q286 PolarHBondContact O-N 2.79Å
239	L	97.6	Very high	95.6	Very high	7 Å²	7	48.7 Å²	48.7	4%	0.037	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.4	172.6	-86.2	62.9	0	0	0	108.4	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.14Å; I237-L239 HydrophobicContact CB-CD1 4.42Å; I237-L239 HydrophobicContact CD1-CD1 3.65Å; I237-L239 HydrophobicContact CG1-CD1 3.61Å; I237-L239 HydrophobicContact CG2-CD1 4.05Å; L239-L254 HydrophobicContact CB-CD1 4.15Å; L239-K267 HydrophobicContact CD1-CD 4.26Å; L239-K267 HydrophobicContact CD2-CB 4.33Å; L239-K267 HydrophobicContact CD2-CG 4.4Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.34Å; L239-H284 WeakPolarHBondContact CA-O 3.47Å; L239-V285 HydrophobicContact CD1-CG1 4.12Å; L239-V285 HydrophobicContact CG-CG2 4.36Å
240	T	97.4	Very high	95.1	Very high	38 Å²	38	57.8 Å²	57.8	23%	0.233	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	146	178.8	49.8	0	0	0	0	111	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4Å; T240-C283 CarbonylContact O-C 3.5Å; T240-C283 WeakPolarHBondContact O-CA 3.26Å; T240-H284 PolarHBondContact N-O 3.25Å; T240-H284 PolarHBondContact O-N 2.9Å; T240-H284 WeakPolarHBondContact OG1-CB 3.21Å
241	W	98.2	Very high	94.5	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.008	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	136.6	170.5	-83.3	104	0	0	0	109.9	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.29Å; V213-W241 HydrophobicContact CG2-CH2 4.28Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 4.02Å; L225-W241 HydrophobicContact CD1-CZ3 4.2Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; W241-Q248 HydrophobicContact CB-CB 4.3Å; W241-Q248 PolarHBondContact O-N 3.07Å; W241-A269 PolarHBondContact NE1-O 3.18Å; W241-V271 HydrophobicContact CB-CG1 3.67Å; W241-V271 HydrophobicContact CB-CG2 4.44Å; W241-V271 HydrophobicContact CD2-CG1 4.3Å; W241-V271 HydrophobicContact CD2-CG2 3.61Å; W241-V271 HydrophobicContact CE3-CG2 3.99Å; W241-V271 HydrophobicContact CG-CB 4.37Å; W241-V271 HydrophobicContact CG-CG1 3.59Å; W241-V271 HydrophobicContact CG-CG2 3.83Å; W241-V271 HydrophobicContact CZ2-CG2 4.26Å; W241-V271 HydrophobicContact CZ3-CG2 4.48Å; W241-T282 WeakPolarHBondContact CA-O 3.1Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; W241-C283 HydrophobicContact CD2-CB 4.14Å; W241-C283 HydrophobicContact CE3-CB 4.1Å; W241-C283 HydrophobicContact CH2-CB 4Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 4.02Å
242	Q	97.9	Very high	94.4	Very high	42 Å²	42	61 Å²	61	20%	0.196	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146.7	172.1	-70	-173.9	-4.3	0	0	110.4	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.54Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.5Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.42Å; Q242-D247 PolarHBondContact NE2-OD1 3.46Å; Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.44Å; Q242-T282 PolarHBondContact N-O 2.87Å; Q242-T282 PolarHBondContact O-N 3.48Å; Q242-H284 PolarHBondContact OE1-NE2 2.71Å
243	R	97.4	Very high	94.4	Very high	69 Å²	69	66.4 Å²	66.4	26%	0.26	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	117.8	168.6	-176.1	-172	-175.8	179.7	-0.4	108.2	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.06Å; R243-E246 PolarHBondContact N-O 2.91Å; R243-E246 PolarHBondContact O-N 3.14Å; R243-Q248 HydrophobicContact CB-CG 4.01Å; R243-E277 IonicContact CZ-OE2 3.5Å; R243-E277 IonicContact NE-OE2 2.66Å; R243-E277 IonicContact NH2-OE1 3.69Å; R243-E277 IonicContact NH2-OE2 2.7Å; R243-E277 PolarHBondContact NH2-OE2 3.07Å; R243-R280 WeakPolarHBondContact CA-O 3.21Å; R243-R280 HydrophobicContact CG-CB 4.38Å; R243-Y281 HydrophobicContact CB-CD1 4.09Å; R243-Y281 HydrophobicContact CB-CE1 3.89Å; R243-Y281 WeakPolarHBondContact CD-OH 3.44Å; R243-Y281 HydrophobicContact CG-CD1 4.46Å; R243-Y281 HydrophobicContact CG-CD2 4.45Å; R243-Y281 HydrophobicContact CG-CE1 4.09Å; R243-Y281 HydrophobicContact CG-CE2 4.05Å
244	D	95.3	Very high	94.5	Very high	101 Å²	101	70.5 Å²	70.5	54%	0.54	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	29.7	-175.5	-53.7	-51.6	0	0	0	114.2	R280	D244-R280 PolarHBondContact N-O 2.89Å; D244-R280 IonicContact OD1-NE 3.49Å; D244-R280 PolarHBondContact OD1-NE 3.34Å; D244-R280 IonicContact OD2-CZ 3.66Å; D244-R280 IonicContact OD2-NE 3.86Å; D244-R280 PolarHBondContact OD2-NE 3.04Å; D244-R280 IonicContact OD2-NH2 2.81Å; D244-R280 PolarHBondContact OD2-NH2 3.45Å
245	G	91.6	Very high	94.7	Very high	48 Å²	48	71.2 Å²	71.2	50%	0.495	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	-0	-178	0	0	0	0	0	115.6	R243	R243-G245 PolarHBondContact O-N 3.06Å
246	E	95.4	Very high	94.8	Very high	145 Å²	145	77.9 Å²	77.9	68%	0.678	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.9	176.2	-63.3	-172.9	169.2	0	0	111.8	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.54Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.5Å; R243-E246 PolarHBondContact N-O 2.91Å; R243-E246 PolarHBondContact O-N 3.14Å; E246-Q248 PolarHBondContact O-NE2 3.4Å
247	D	95.4	Very high	94.9	Very high	96 Å²	96	73.1 Å²	73.1	51%	0.513	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	135.4	-179.5	-68.5	-24.8	0	0	0	112.6	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.42Å; Q242-D247 PolarHBondContact NE2-OD1 3.46Å
248	Q	94.8	Very high	95	Very high	28 Å²	28	77.1 Å²	77.1	13%	0.131	40%	0.4	C	S	.	.			trans	-106.4	35.3	-176.9	-57.5	-60.9	-67.9	0	0	112.6	W241 R243 E246 Q250 D251 T252 V271 Y281	W241-Q248 HydrophobicContact CB-CB 4.3Å; W241-Q248 PolarHBondContact O-N 3.07Å; R243-Q248 HydrophobicContact CB-CG 4.01Å; E246-Q248 PolarHBondContact O-NE2 3.4Å; Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 3.44Å; Q248-D251 PolarHBondContact O-N 3.18Å; Q248-D251 VanDerWaalsContact O-N 3.15Å; Q248-T252 WeakPolarHBondContact O-CB 3.42Å; Q248-T252 PolarHBondContact O-N 3.49Å; Q248-T252 VanDerWaalsContact O-N 3.07Å; Q248-T252 PolarHBondContact O-OG1 3.03Å; Q248-V271 HydrophobicContact CB-CG1 4.45Å; Q248-Y281 HydrophobicContact CG-CE1 4.37Å
249	T	88.6	Confident	95	Very high	108 Å²	108	78.8 Å²	78.8	66%	0.663	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-35.8	-169	-46.5	0	0	0	0	114.3
250	Q	88.3	Confident	94.9	Very high	192 Å²	192	80.8 Å²	80.8	90%	0.897	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-31.2	-178.7	-65.9	-174.6	7.5	0	0	113.2	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 3.44Å; Q250-T252 VanDerWaalsContact C-N 3.35Å
251	D	86.8	Confident	94.6	Very high	114 Å²	114	82.7 Å²	82.7	61%	0.61	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	1.4	-178.2	-57.5	-51.1	0	0	0	112.3	Q248	Q248-D251 PolarHBondContact O-N 3.18Å; Q248-D251 VanDerWaalsContact O-N 3.15Å
252	T	94.6	Very high	94.2	Very high	23 Å²	23	88 Å²	88	14%	0.141	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	120.9	179.8	-61.5	0	0	0	0	110.7	Q248 Q250 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 3.42Å; Q248-T252 PolarHBondContact O-N 3.49Å; Q248-T252 VanDerWaalsContact O-N 3.07Å; Q248-T252 PolarHBondContact O-OG1 3.03Å; Q250-T252 VanDerWaalsContact C-N 3.35Å; T252-L254 HydrophobicContact CG2-CB 4.47Å; T252-L254 PolarHBondContact O-N 2.89Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; T252-A270 CarbonylContact C-O 3.51Å; T252-A270 WeakPolarHBondContact CA-O 3.42Å; T252-V271 HydrophobicContact CG2-CG1 4.31Å; T252-V271 VanDerWaalsContact OG1-CG1 3.22Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.43Å
253	E	96.5	Very high	93.8	Very high	114 Å²	114	88 Å²	88	53%	0.533	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	107.6	163.4	-173.5	-174.9	-174	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.86Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.44Å; E253-A269 CarbonylContact O-C 3.58Å; E253-A269 WeakPolarHBondContact O-CA 3.2Å; E253-A270 HydrophobicContact CB-CB 4.45Å; E253-A270 PolarHBondContact N-O 2.66Å; E253-A270 PolarHBondContact O-N 3.15Å
254	L	96.6	Very high	93.7	Very high	90 Å²	90	85 Å²	85	47%	0.471	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	119.9	178	-173.9	68.8	0	0	0	110	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.15Å; T252-L254 HydrophobicContact CG2-CB 4.47Å; T252-L254 PolarHBondContact O-N 2.89Å; L254-K267 HydrophobicContact CD1-CD 4.46Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
255	V	96.2	Very high	93.8	Very high	34 Å²	34	81.3 Å²	81.3	21%	0.206	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-84.3	153.7	175.4	-65.1	0	0	0	0	112.3	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 WeakPolarHBondContact O-CE 3.43Å; V255-K267 WeakPolarHBondContact O-CG 3.28Å; V255-K267 PolarHBondContact O-NZ 3.11Å; V255-W268 HydrophobicContact CB-CD2 4.5Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.97Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.58Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.1Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.48Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.49Å; V255-W268 PolarHBondContact N-O 2.88Å
256	E	96.1	Very high	94.1	Very high	174 Å²	174	81.1 Å²	81.1	81%	0.813	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-57.7	146.7	167.1	-67.9	-176.3	173.4	0	0	111.1	R258	E256-R258 PolarHBondContact O-N 3.23Å
257	T	97.1	Very high	94.3	Very high	41 Å²	41	75.3 Å²	75.3	25%	0.252	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-67.6	131	174.8	-55.1	0	0	0	0	108.5	F232 T235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.02Å; F232-T257 HydrophobicContact CZ-CG2 3.79Å; T235-T257 VanDerWaalsContact OG1-CG2 3.32Å; T235-T257 WeakPolarHBondContact OG1-CG2 3.38Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 4.03Å; T257-F265 HydrophobicContact CG2-CG 4.17Å; T257-K267 WeakPolarHBondContact OG1-CD 3.34Å; T257-K267 PolarHBondContact OG1-NZ 2.97Å; T257-K267 VanDerWaalsContact OG1-NZ 3.15Å
258	R	96.5	Very high	94.4	Very high	95 Å²	95	71.9 Å²	71.9	36%	0.358	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	145.2	-174	69.1	-166	-178.5	-171.1	3	111.3	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.23Å; R258-F265 WeakPolarHBondContact O-CA 3.25Å; R258-Q266 HydrophobicContact CG-CG 3.59Å; R258-Q266 PolarHBondContact N-O 3.37Å; R258-Q266 WeakPolarHBondContact O-CG 3.45Å; R258-Q266 PolarHBondContact O-N 3.4Å
259	P	96.3	Very high	94.6	Very high	94 Å²	94	70.5 Å²	70.5	61%	0.61	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	144.6	177.8	28.3	-34.3	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CE1 4.35Å
260	A	95.4	Very high	95	Very high	49 Å²	49	65.5 Å²	65.5	41%	0.405	37%	0.367	S	S	.	.			trans	-87.8	-19	172.4	0	0	0	0	0	112.9	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.48Å; A260-T264 WeakPolarHBondContact CB-O 3.21Å; A260-T264 PolarHBondContact N-O 3.04Å
261	G	91.5	Very high	95.5	Very high	78 Å²	78	56.6 Å²	56.6	80%	0.804	33%	0.325	S	S	*	.	S	Bend	trans	97.1	-8.3	178.6	0	0	0	0	0	114.9
262	D	90.9	Very high	96	Very high	112 Å²	112	54.9 Å²	54.9	60%	0.599	32%	0.319	S	S	*	.	S	Bend	trans	-102.8	11.3	175.5	60.4	1.7	0	0	0	113	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.48Å; D262-T264 WeakPolarHBondContact OD1-CB 3.3Å; D262-T264 PolarHBondContact OD1-N 3.36Å; D262-T264 PolarHBondContact OD1-OG1 3.43Å
263	G	89.2	Confident	96.1	Very high	42 Å²	42	53.9 Å²	53.9	43%	0.433	31%	0.312	S	S	.	.	S	Bend	trans	90.9	-3.1	-174.1	0	0	0	0	0	114.3	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.47Å
264	T	95.2	Very high	96.1	Very high	8 Å²	8	50.6 Å²	50.6	5%	0.049	30%	0.301	C	S	.	.			trans	-103.2	173.3	174.3	73.7	0	0	0	0	112.4	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.38Å; F232-T264 WeakPolarHBondContact O-CA 3.22Å; A260-T264 WeakPolarHBondContact CB-O 3.21Å; A260-T264 PolarHBondContact N-O 3.04Å; D262-T264 WeakPolarHBondContact OD1-CB 3.3Å; D262-T264 PolarHBondContact OD1-N 3.36Å; D262-T264 PolarHBondContact OD1-OG1 3.43Å
265	F	97.2	Very high	95.9	Very high	23 Å²	23	48.9 Å²	48.9	10%	0.101	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	163.3	-177	-63	-84.5	0	0	0	112.4	D54 G231 F232 Y233 T235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.8Å; D54-F265 HydrophobicContact CB-CZ 3.7Å; G231-F265 PolarHBondContact N-O 2.91Å; F232-F265 WeakPolarHBondContact CD1-O 3.38Å; F232-F265 HydrophobicContact CD2-CB 3.94Å; F232-F265 HydrophobicContact CE1-CB 4.26Å; F232-F265 WeakPolarHBondContact CE1-O 3.28Å; F232-F265 HydrophobicContact CE2-CB 3.48Å; F232-F265 VanDerWaalsContact CE2-CB 3.48Å; F232-F265 HydrophobicContact CE2-CG 4.46Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.64Å; F232-F265 PolarHBondContact N-O 2.83Å; F232-F265 PolarHBondContact O-N 3.27Å; Y233-F265 HydrophobicContact CD2-CD2 4.47Å; Y233-F265 AromaticContact CD2-CE2 3.98Å; Y233-F265 HydrophobicContact CD2-CE2 3.98Å; T235-F265 WeakPolarHBondContact OG1-CD1 3.43Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 4.03Å; T257-F265 HydrophobicContact CG2-CG 4.17Å; R258-F265 WeakPolarHBondContact O-CA 3.25Å; P259-F265 HydrophobicContact CB-CE1 4.35Å
266	Q	98	Very high	95.7	Very high	44 Å²	44	50.4 Å²	50.4	21%	0.206	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	146.2	174.7	39.7	165.2	-16.1	0	0	110.2	A229 L230 R258	A229-Q266 CarbonylContact O-C 3.53Å; A229-Q266 VanDerWaalsContact O-CA 3.27Å; A229-Q266 WeakPolarHBondContact O-CA 3.36Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å; R258-Q266 HydrophobicContact CG-CG 3.59Å; R258-Q266 PolarHBondContact N-O 3.37Å; R258-Q266 WeakPolarHBondContact O-CG 3.45Å; R258-Q266 PolarHBondContact O-N 3.4Å
267	K	98.4	Very high	95.6	Very high	22 Å²	22	44.7 Å²	44.7	10%	0.096	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	155.3	177.1	-162.3	-176.1	-171.5	69.1	0	109	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.36Å; A229-K267 PolarHBondContact O-N 3.4Å; A229-K267 VanDerWaalsContact O-O 3.09Å; F232-K267 HydrophobicContact CE1-CB 4.35Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.27Å; I237-K267 HydrophobicContact CG2-CD 3.61Å; L239-K267 HydrophobicContact CD1-CD 4.26Å; L239-K267 HydrophobicContact CD2-CB 4.33Å; L239-K267 HydrophobicContact CD2-CG 4.4Å; L254-K267 HydrophobicContact CD1-CD 4.46Å; V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 WeakPolarHBondContact O-CE 3.43Å; V255-K267 WeakPolarHBondContact O-CG 3.28Å; V255-K267 PolarHBondContact O-NZ 3.11Å; T257-K267 WeakPolarHBondContact OG1-CD 3.34Å; T257-K267 PolarHBondContact OG1-NZ 2.97Å; T257-K267 VanDerWaalsContact OG1-NZ 3.15Å
268	W	98.2	Very high	95.5	Very high	24 Å²	24	43.6 Å²	43.6	9%	0.091	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	157.1	168.9	59.6	-98.9	0	0	0	111.6	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 3.98Å; R226-W268 HydrophobicContact CG-CD2 4.08Å; R226-W268 HydrophobicContact CG-CE3 3.87Å; R226-W268 HydrophobicContact CG-CG 4.18Å; C227-W268 CarbonylContact O-C 3.54Å; C227-W268 WeakPolarHBondContact O-CA 3.48Å; C227-W268 WeakPolarHBondContact O-CB 3.34Å; W228-W268 HydrophobicContact CD2-CB 3.98Å; W228-W268 HydrophobicContact CD2-CG 4.48Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.9Å; W228-W268 HydrophobicContact CE3-CG 4.21Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.66Å; W228-W268 HydrophobicContact CH2-CG 4.29Å; W228-W268 HydrophobicContact CZ3-CB 4.31Å; W228-W268 AromaticContact CZ3-CD1 3.43Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.43Å; W228-W268 HydrophobicContact CZ3-CG 4.13Å; E253-W268 HydrophobicContact CB-CZ3 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.86Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.44Å; V255-W268 HydrophobicContact CB-CD2 4.5Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.97Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.58Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.1Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.48Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.49Å; V255-W268 PolarHBondContact N-O 2.88Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.61Å
269	A	98.3	Very high	95.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	132.5	174	0	0	0	0	0	108.6	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.42Å; C227-A269 PolarHBondContact N-O 2.89Å; C227-A269 PolarHBondContact O-N 2.79Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.34Å; W241-A269 PolarHBondContact NE1-O 3.18Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; E253-A269 CarbonylContact O-C 3.58Å; E253-A269 WeakPolarHBondContact O-CA 3.2Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
270	A	98	Very high	95.5	Very high	3 Å²	3	43.5 Å²	43.5	3%	0.025	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	145.5	-179.7	0	0	0	0	0	112.4	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.9Å; L225-A270 CarbonylContact O-C 3.49Å; L225-A270 WeakPolarHBondContact O-CA 3.38Å; R226-A270 HydrophobicContact CB-CB 4.09Å; R226-A270 HydrophobicContact CG-CB 4.16Å; T252-A270 CarbonylContact C-O 3.51Å; T252-A270 WeakPolarHBondContact CA-O 3.42Å; E253-A270 HydrophobicContact CB-CB 4.45Å; E253-A270 PolarHBondContact N-O 2.66Å; E253-A270 PolarHBondContact O-N 3.15Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.61Å
271	V	97.8	Very high	95.6	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.024	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.1	175.1	-72.6	0	0	0	0	109.5	T224 L225 W241 Q248 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.47Å; L225-V271 HydrophobicContact CB-CG2 4.18Å; L225-V271 PolarHBondContact N-O 2.89Å; L225-V271 PolarHBondContact O-N 2.92Å; W241-V271 HydrophobicContact CB-CG1 3.67Å; W241-V271 HydrophobicContact CB-CG2 4.44Å; W241-V271 HydrophobicContact CD2-CG1 4.3Å; W241-V271 HydrophobicContact CD2-CG2 3.61Å; W241-V271 HydrophobicContact CE3-CG2 3.99Å; W241-V271 HydrophobicContact CG-CB 4.37Å; W241-V271 HydrophobicContact CG-CG1 3.59Å; W241-V271 HydrophobicContact CG-CG2 3.83Å; W241-V271 HydrophobicContact CZ2-CG2 4.26Å; W241-V271 HydrophobicContact CZ3-CG2 4.48Å; Q248-V271 HydrophobicContact CB-CG1 4.45Å; T252-V271 HydrophobicContact CG2-CG1 4.31Å; T252-V271 VanDerWaalsContact OG1-CG1 3.22Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.43Å; V271-V273 HydrophobicContact CB-CG1 4.42Å; V271-V273 HydrophobicContact CG2-CG1 3.81Å; V271-Y281 HydrophobicContact CG2-CD1 4.08Å; V271-Y281 HydrophobicContact CG2-CE1 4.49Å
272	V	97.4	Very high	95.9	Very high	79 Å²	79	38.4 Å²	38.4	48%	0.479	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	128.9	168.7	-177.8	0	0	0	0	107.9	E222 A223	E222-V272 HydrophobicContact CB-CG1 4.11Å; E222-V272 HydrophobicContact CG-CG1 4.32Å; A223-V272 WeakPolarHBondContact O-CA 3.4Å
273	V	96.6	Very high	96.2	Very high	1 Å²	1	33 Å²	33	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.6	-175.8	-52.8	0	0	0	0	110.4	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.28Å; A223-V273 HydrophobicContact CB-CG2 4.47Å; A223-V273 PolarHBondContact N-O 3.19Å; A223-V273 WeakPolarHBondContact O-CG2 3.35Å; A223-V273 PolarHBondContact O-N 3.06Å; L225-V273 HydrophobicContact CD1-CG1 4.04Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.2Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; V271-V273 HydrophobicContact CB-CG1 4.42Å; V271-V273 HydrophobicContact CG2-CG1 3.81Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; V273-Y281 HydrophobicContact CB-CD2 4.04Å; V273-Y281 HydrophobicContact CB-CE2 3.73Å; V273-Y281 HydrophobicContact CG1-CD1 3.73Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.65Å; V273-Y281 HydrophobicContact CG1-CE2 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å
274	P	96.3	Very high	96.6	Very high	45 Å²	45	32.6 Å²	32.6	29%	0.292	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	141	170.5	-19.9	32.1	0	0	0	111.2	H221 G276 E277	H221-P274 CarbonylContact O-C 3.54Å; H221-P274 WeakPolarHBondContact O-CA 3.42Å; P274-G276 PolarHBondContact O-N 3.44Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact O-CB 3.33Å; P274-E277 PolarHBondContact O-N 3.3Å
275	S	92.8	Very high	96.8	Very high	55 Å²	55	32.2 Å²	32.2	39%	0.385	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	129.6	176.6	-62.9	0	0	0	0	111.3	H221 E222 E277 E278	H221-S275 PolarHBondContact O-N 2.91Å; H221-S275 PolarHBondContact O-OG 3.08Å; E222-S275 PolarHBondContact N-OG 3.29Å; S275-E277 VanDerWaalsContact C-N 3.34Å; S275-E278 WeakPolarHBondContact CA-OE1 3.45Å
276	G	91.6	Very high	96.8	Very high	66 Å²	66	35.7 Å²	35.7	68%	0.68	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.2	-7	-176.3	0	0	0	0	0	114.6	P274 E278	P274-G276 PolarHBondContact O-N 3.44Å; G276-E278 WeakPolarHBondContact CA-OE2 3.42Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.38Å; G276-E278 PolarHBondContact N-OE2 3.06Å
277	E	95.5	Very high	96.6	Very high	53 Å²	53	34 Å²	34	25%	0.248	19%	0.187	C	C	.	.			trans	-100.6	3.6	176	-65.1	-159.2	-157.5	0	0	113.7	R243 P274 S275 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.5Å; R243-E277 IonicContact NE-OE2 2.66Å; R243-E277 IonicContact NH2-OE1 3.69Å; R243-E277 IonicContact NH2-OE2 2.7Å; R243-E277 PolarHBondContact NH2-OE2 3.07Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact O-CB 3.33Å; P274-E277 PolarHBondContact O-N 3.3Å; S275-E277 VanDerWaalsContact C-N 3.34Å; E277-Q279 PolarHBondContact O-N 2.81Å; E277-R280 WeakPolarHBondContact O-CB 3.33Å; E277-R280 PolarHBondContact O-N 2.86Å; E277-R280 IonicContact OE1-NH1 2.81Å; E277-R280 IonicContact OE2-CZ 3.11Å; E277-R280 IonicContact OE2-NE 3.51Å; E277-R280 IonicContact OE2-NH1 2.62Å; E277-R280 PolarHBondContact OE2-NH1 2.82Å; E277-Y281 HydrophobicContact CB-CE2 4.44Å; E277-Y281 WeakPolarHBondContact O-CD2 3.26Å
278	E	95	Very high	96.2	Very high	19 Å²	19	36.4 Å²	36.4	9%	0.089	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-57.3	-33.1	-171.2	-57.4	81.7	-179.7	0	0	112.6	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.91Å; L225-E278 HydrophobicContact CD1-CB 4.13Å; L225-E278 HydrophobicContact CD2-CG 4.38Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; S275-E278 WeakPolarHBondContact CA-OE1 3.45Å; G276-E278 WeakPolarHBondContact CA-OE2 3.42Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.38Å; G276-E278 PolarHBondContact N-OE2 3.06Å; E278-R280 VanDerWaalsContact C-N 3.25Å; E278-R280 PolarHBondContact O-N 3.42Å; E278-Y281 PolarHBondContact O-N 3.13Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.41Å; E278-W298 VanDerWaalsContact CB-CE3 3.41Å; E278-W298 HydrophobicContact CB-CZ3 3.8Å; E278-W298 HydrophobicContact CG-CE3 3.73Å; E278-W298 HydrophobicContact CG-CZ3 3.74Å
279	Q	95.2	Very high	95.8	Very high	89 Å²	89	36.2 Å²	36.2	42%	0.416	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-72.8	-14.4	-179.4	-63.3	-57.6	-46.8	0	0	114.2	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 2.81Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å; Q279-W298 PolarHBondContact NE2-O 3.24Å
280	R	96.7	Very high	95.6	Very high	97 Å²	97	36.8 Å²	36.8	37%	0.366	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-77.5	-16	172.8	-63.5	174	66.7	179.9	5	112.1	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.21Å; R243-R280 HydrophobicContact CG-CB 4.38Å; D244-R280 PolarHBondContact N-O 2.89Å; D244-R280 IonicContact OD1-NE 3.49Å; D244-R280 PolarHBondContact OD1-NE 3.34Å; D244-R280 IonicContact OD2-CZ 3.66Å; D244-R280 IonicContact OD2-NE 3.86Å; D244-R280 PolarHBondContact OD2-NE 3.04Å; D244-R280 IonicContact OD2-NH2 2.81Å; D244-R280 PolarHBondContact OD2-NH2 3.45Å; E277-R280 WeakPolarHBondContact O-CB 3.33Å; E277-R280 PolarHBondContact O-N 2.86Å; E277-R280 IonicContact OE1-NH1 2.81Å; E277-R280 IonicContact OE2-CZ 3.11Å; E277-R280 IonicContact OE2-NE 3.51Å; E277-R280 IonicContact OE2-NH1 2.62Å; E277-R280 PolarHBondContact OE2-NH1 2.82Å; E278-R280 VanDerWaalsContact C-N 3.25Å; E278-R280 PolarHBondContact O-N 3.42Å
281	Y	97.6	Very high	95.3	Very high	9 Å²	9	42.6 Å²	42.6	4%	0.035	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	130.7	-177.3	-69.4	-100.4	0	0	0	111.2	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.44Å; R243-Y281 HydrophobicContact CB-CD1 4.09Å; R243-Y281 HydrophobicContact CB-CE1 3.89Å; R243-Y281 WeakPolarHBondContact CD-OH 3.44Å; R243-Y281 HydrophobicContact CG-CD1 4.46Å; R243-Y281 HydrophobicContact CG-CD2 4.45Å; R243-Y281 HydrophobicContact CG-CE1 4.09Å; R243-Y281 HydrophobicContact CG-CE2 4.05Å; Q248-Y281 HydrophobicContact CG-CE1 4.37Å; V271-Y281 HydrophobicContact CG2-CD1 4.08Å; V271-Y281 HydrophobicContact CG2-CE1 4.49Å; V273-Y281 HydrophobicContact CB-CD2 4.04Å; V273-Y281 HydrophobicContact CB-CE2 3.73Å; V273-Y281 HydrophobicContact CG1-CD1 3.73Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.65Å; V273-Y281 HydrophobicContact CG1-CE2 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å; E277-Y281 HydrophobicContact CB-CE2 4.44Å; E277-Y281 WeakPolarHBondContact O-CD2 3.26Å; E278-Y281 PolarHBondContact O-N 3.13Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å
282	T	97.9	Very high	95	Very high	11 Å²	11	49.4 Å²	49.4	7%	0.067	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	133.9	175.7	46.2	0	0	0	0	110.5	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.1Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; Q242-T282 PolarHBondContact N-O 2.87Å; Q242-T282 PolarHBondContact O-N 3.48Å; T282-H284 PolarHBondContact OG1-NE2 2.87Å; T282-T295 HydrophobicContact CG2-CG2 3.93Å; T282-L296 CarbonylContact C-O 3.56Å; T282-L296 WeakPolarHBondContact CA-O 3.41Å; T282-R297 HydrophobicContact CG2-CG 3.6Å; T282-R297 VanDerWaalsContact CG2-NE 3.26Å
283	C	98.1	Very high	94.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	128.8	169.4	174.5	0	0	0	0	109.5	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.49Å; C227-C283 WeakPolarHBondContact SG-CB 3.34Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.98Å; T240-C283 CarbonylContact O-C 3.5Å; T240-C283 WeakPolarHBondContact O-CA 3.26Å; W241-C283 HydrophobicContact CD2-CB 4.14Å; W241-C283 HydrophobicContact CE3-CB 4.1Å; W241-C283 HydrophobicContact CH2-CB 4Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 4.02Å; C283-T295 CarbonylContact O-C 3.55Å; C283-T295 WeakPolarHBondContact O-CA 3.22Å; C283-L296 HydrophobicContact CB-CB 4.3Å; C283-L296 PolarHBondContact N-O 2.95Å; C283-L296 PolarHBondContact O-N 2.81Å
284	H	97.8	Very high	94.9	Very high	32 Å²	32	51.6 Å²	51.6	15%	0.148	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	129.2	176.4	-62.3	-102.6	0	0	0	109.8	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.47Å; T240-H284 PolarHBondContact N-O 3.25Å; T240-H284 PolarHBondContact O-N 2.9Å; T240-H284 WeakPolarHBondContact OG1-CB 3.21Å; Q242-H284 PolarHBondContact OE1-NE2 2.71Å; T282-H284 PolarHBondContact OG1-NE2 2.87Å; H284-L294 CarbonylContact C-O 3.57Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.26Å; H284-T295 PolarHBondContact CE1-OG1 2.92Å; H284-T295 PolarHBondContact ND1-OG1 2.84Å
285	V	97.9	Very high	94.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	121.9	-177.9	-174.2	0	0	0	0	109.3	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.94Å; T211-V285 HydrophobicContact CG2-CB 4.44Å; T211-V285 HydrophobicContact CG2-CG1 4.15Å; T211-V285 HydrophobicContact CG2-CG2 4.07Å; I237-V285 HydrophobicContact CD1-CG1 3.99Å; I237-V285 HydrophobicContact CG1-CG1 4.3Å; T238-V285 WeakPolarHBondContact O-CA 3.36Å; L239-V285 HydrophobicContact CD1-CG1 4.12Å; L239-V285 HydrophobicContact CG-CG2 4.36Å; V285-L290 HydrophobicContact CG1-CD1 4.2Å; V285-P293 WeakPolarHBondContact O-CA 3.38Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 2.99Å; V285-L294 PolarHBondContact O-N 2.92Å; V285-L296 HydrophobicContact CG2-CD1 4Å
286	Q	96.7	Very high	95.1	Very high	97 Å²	97	52.5 Å²	52.5	45%	0.453	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.5	173.8	-56.6	179.4	18.1	0	0	109.2	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.5Å; T238-Q286 PolarHBondContact N-O 3.12Å; T238-Q286 PolarHBondContact O-N 2.79Å; Q286-P293 HydrophobicContact CG-CB 3.97Å; Q286-P293 HydrophobicContact CG-CG 4.08Å
287	H	94.8	Very high	95.3	Very high	7 Å²	7	56.3 Å²	56.3	3%	0.032	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	145.8	-177.8	-174.4	-100.6	0	0	0	109	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 WeakPolarHBondContact CH2-O 3.5Å; W23-H287 VanDerWaalsContact CZ2-O 3.28Å; W23-H287 WeakPolarHBondContact CZ2-O 3.47Å; E207-H287 PolarHBondContact O-CE1 2.82Å; P209-H287 HydrophobicContact CG-CB 4.11Å; F232-H287 AromaticContact CD2-CD2 3.84Å; F232-H287 AromaticContact CD2-NE2 3.67Å; Y233-H287 PolarHBondContact O-CE1 3.3Å; P234-H287 PolarHBondContact O-NE2 3.03Å; E236-H287 PolarHBondContact O-CD2 3.23Å; I237-H287 HydrophobicContact CD1-CB 4.27Å; I237-H287 HydrophobicContact CG1-CB 4.04Å; H287-G289 PolarHBondContact CE1-N 3.25Å; H287-G289 WeakPolarHBondContact ND1-CA 3.49Å; H287-G289 PolarHBondContact ND1-N 3.18Å; H287-G289 PolarHBondContact O-N 2.83Å; H287-G289 VanDerWaalsContact O-N 3.15Å; H287-L290 HydrophobicContact CB-CD1 3.97Å; H287-L290 HydrophobicContact CB-CG 4.2Å; H287-L290 WeakPolarHBondContact O-CB 3.41Å; H287-L290 PolarHBondContact O-N 3.27Å
288	E	90.6	Very high	95.3	Very high	74 Å²	74	56 Å²	56	35%	0.346	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-20.2	179.1	-168.7	-175.9	149.2	0	0	113.6	W23 C25 L290	W23-E288 HydrophobicContact CE3-CG 4.26Å; W23-E288 WeakPolarHBondContact CH2-O 3.21Å; W23-E288 VanDerWaalsContact CZ3-C 3.48Å; W23-E288 HydrophobicContact CZ3-CG 4.23Å; W23-E288 WeakPolarHBondContact CZ3-O 3.34Å; C25-E288 PolarHBondContact SG-OE1 3.17Å; E288-L290 VanDerWaalsContact C-N 3.26Å; E288-L290 PolarHBondContact O-N 3.06Å
289	G	90.3	Very high	95.1	Very high	20 Å²	20	63 Å²	63	21%	0.206	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-8.7	173.2	0	0	0	0	0	114.4	H287	H287-G289 PolarHBondContact CE1-N 3.25Å; H287-G289 WeakPolarHBondContact ND1-CA 3.49Å; H287-G289 PolarHBondContact ND1-N 3.18Å; H287-G289 PolarHBondContact O-N 2.83Å; H287-G289 VanDerWaalsContact O-N 3.15Å
290	L	93.1	Very high	94.4	Very high	11 Å²	11	62.5 Å²	62.5	6%	0.058	32%	0.317	C	S	.	.			trans	-107.7	114.5	-173.4	-67.5	172.1	0	0	0	112.5	W23 H208 P209 V285 H287 E288 E292 L294	W23-L290 WeakPolarHBondContact CH2-O 3.42Å; W23-L290 VanDerWaalsContact CZ2-O 3.31Å; W23-L290 WeakPolarHBondContact CZ2-O 3.25Å; H208-L290 HydrophobicContact CB-CD2 3.92Å; P209-L290 HydrophobicContact CG-CD1 3.76Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.16Å; V285-L290 HydrophobicContact CG1-CD1 4.2Å; H287-L290 HydrophobicContact CB-CD1 3.97Å; H287-L290 HydrophobicContact CB-CG 4.2Å; H287-L290 WeakPolarHBondContact O-CB 3.41Å; H287-L290 PolarHBondContact O-N 3.27Å; E288-L290 VanDerWaalsContact C-N 3.26Å; E288-L290 PolarHBondContact O-N 3.06Å; L290-E292 PolarHBondContact O-N 2.88Å; L290-L294 HydrophobicContact CD1-CD1 3.9Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.63Å; L290-L294 HydrophobicContact CD2-CG 3.91Å; L290-L294 HydrophobicContact CG-CD1 4.43Å; L290-L294 HydrophobicContact CG-CG 4.47Å
291	P	90.8	Very high	92.9	Very high	125 Å²	125	62.8 Å²	62.8	81%	0.812	33%	0.334	S	S	*	.	S	Bend	trans	-57.7	-28.8	-178.4	25.6	-35.1	0	0	0	113.3
292	E	92.1	Very high	90.5	Very high	148 Å²	148	67.8 Å²	67.8	69%	0.692	37%	0.37	S	S	*	.	S	Bend	trans	-138.7	150.2	171.3	-65.3	-177.6	177.3	0	0	109.9	L290 L294	L290-E292 PolarHBondContact O-N 2.88Å; E292-L294 PolarHBondContact O-N 3.26Å
293	P	94.8	Very high	88	Confident	65 Å²	65	75 Å²	75	42%	0.422	40%	0.404	S	S	.	.			trans	-53.8	136.2	173.3	-27.7	36.4	0	0	0	112.8	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.38Å; Q286-P293 HydrophobicContact CG-CB 3.97Å; Q286-P293 HydrophobicContact CG-CG 4.08Å
294	L	96.5	Very high	85.5	Confident	61 Å²	61	79.9 Å²	79.9	32%	0.319	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	140.7	175.4	-64.6	177.7	0	0	0	110.7	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.4Å; H284-L294 CarbonylContact C-O 3.57Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.26Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 2.99Å; V285-L294 PolarHBondContact O-N 2.92Å; L290-L294 HydrophobicContact CD1-CD1 3.9Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.63Å; L290-L294 HydrophobicContact CD2-CG 3.91Å; L290-L294 HydrophobicContact CG-CD1 4.43Å; L290-L294 HydrophobicContact CG-CG 4.47Å; E292-L294 PolarHBondContact O-N 3.26Å
295	T	97.5	Very high	83.2	Confident	83 Å²	83	84.7 Å²	84.7	51%	0.509	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	120.7	170.9	-56.7	0	0	0	0	108.8	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.93Å; C283-T295 CarbonylContact O-C 3.55Å; C283-T295 WeakPolarHBondContact O-CA 3.22Å; H284-T295 PolarHBondContact CE1-OG1 2.92Å; H284-T295 PolarHBondContact ND1-OG1 2.84Å
296	L	96.9	Very high	81.2	Confident	35 Å²	35	89.5 Å²	89.5	18%	0.183	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	142.9	-174.1	-60.4	155.8	0	0	0	110	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.41Å; T211-L296 HydrophobicContact CG2-CD1 4.14Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.37Å; V213-L296 HydrophobicContact CG2-CB 3.93Å; T282-L296 CarbonylContact C-O 3.56Å; T282-L296 WeakPolarHBondContact CA-O 3.41Å; C283-L296 HydrophobicContact CB-CB 4.3Å; C283-L296 PolarHBondContact N-O 2.95Å; C283-L296 PolarHBondContact O-N 2.81Å; V285-L296 HydrophobicContact CG2-CD1 4Å
297	R	95.9	Very high	79.4	Confident	146 Å²	146	89 Å²	89	55%	0.551	50%	0.496	S	S	*	.			trans	-118.5	160.8	167.3	-70.4	-175.1	176.8	168.6	-1.2	109.2	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.6Å; T282-R297 VanDerWaalsContact CG2-NE 3.26Å; R297-E299 PolarHBondContact O-N 3.4Å
298	W	95.5	Very high	77.7	Confident	47 Å²	47	94.4 Å²	94.4	18%	0.178	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-69.4	122.6	168	170.6	57.4	0	0	0	110	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.47Å; V213-W298 HydrophobicContact CG1-CB 3.85Å; H215-W298 HydrophobicContact CB-CD2 4.11Å; H215-W298 HydrophobicContact CB-CG 4.16Å; H215-W298 HydrophobicContact CB-CZ2 4.01Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å; H215-W298 AromaticContact CG-CE2 3.78Å; H215-W298 AromaticContact CG-CZ2 3.79Å; H215-W298 AromaticContact ND1-CZ2 3.98Å; L225-W298 HydrophobicContact CD1-CB 4.42Å; L225-W298 HydrophobicContact CD2-CB 3.84Å; L225-W298 HydrophobicContact CD2-CD2 4.37Å; L225-W298 HydrophobicContact CD2-CG 3.96Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.41Å; E278-W298 VanDerWaalsContact CB-CE3 3.41Å; E278-W298 HydrophobicContact CB-CZ3 3.8Å; E278-W298 HydrophobicContact CG-CE3 3.73Å; E278-W298 HydrophobicContact CG-CZ3 3.74Å; Q279-W298 PolarHBondContact NE2-O 3.24Å; W298-P300 HydrophobicContact CE3-CG 4.44Å; W298-P300 HydrophobicContact CH2-CB 4.32Å; W298-P300 HydrophobicContact CH2-CG 3.95Å; W298-P300 HydrophobicContact CZ2-CB 4.09Å; W298-P300 HydrophobicContact CZ2-CG 4.07Å; W298-P300 HydrophobicContact CZ3-CG 4.13Å
299	E	89.4	Confident	76.2	Confident	166 Å²	166	96.8 Å²	96.8	78%	0.776	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-101.3	119.6	170.3	-70.8	-177.4	174.6	0	0	109.2	R297 S301	R297-E299 PolarHBondContact O-N 3.4Å; E299-S301 PolarHBondContact O-N 3.43Å
300	P	81.3	Confident	75	Confident	79 Å²	79	97.9 Å²	97.9	51%	0.513	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-58.5	126.8	171.5	-19.8	30.8	0	0	0	108.9	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.44Å; W298-P300 HydrophobicContact CH2-CB 4.32Å; W298-P300 HydrophobicContact CH2-CG 3.95Å; W298-P300 HydrophobicContact CZ2-CB 4.09Å; W298-P300 HydrophobicContact CZ2-CG 4.07Å; W298-P300 HydrophobicContact CZ3-CG 4.13Å; P300-S302 PolarHBondContact O-N 2.94Å
301	S	64.4	Low	74	Confident	103 Å²	103	102 Å²	102	72%	0.72	58%	0.576	S	S	*	*			trans	-58.3	112.5	-176.8	77.5	0	0	0	0	109.8	E299 Q303	E299-S301 PolarHBondContact O-N 3.43Å; S301-Q303 PolarHBondContact O-N 3.44Å
302	S	49.2	Very low	73.2	Confident	113 Å²	113	100.3 Å²	100.3	79%	0.79	56%	0.563	S	S	*	*			trans	-76.9	69.3	166	58.2	0	0	0	0	108.1	P300 P304	P300-S302 PolarHBondContact O-N 2.94Å; S302-P304 WeakPolarHBondContact O-CD 3.35Å
303	Q	45.4	Very low	72.3	Confident	164 Å²	164	95.8 Å²	95.8	77%	0.766	55%	0.551	S	S	*	*			trans	-72.2	108.7	152.9	-83	-168.7	-15.5	0	0	105.2	S301 T305	S301-Q303 PolarHBondContact O-N 3.44Å; Q303-T305 PolarHBondContact O-N 3.28Å
304	P	44.3	Very low	71.5	Confident	102 Å²	102	94.3 Å²	94.3	66%	0.662	55%	0.548	S	S	*	.			trans	-59	115.4	164.7	25	-29	0	0	0	105	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.35Å; P304-I306 HydrophobicContact CB-CG1 4.44Å; P304-I306 HydrophobicContact CG-CG1 4.44Å; P304-I306 PolarHBondContact O-N 3.01Å
305	T	50.5	Low	71	Confident	133 Å²	133	96.6 Å²	96.6	82%	0.816	56%	0.56	S	S	*	*			trans	-63.3	82.3	158	-43.5	0	0	0	0	104.7	Q303 P307	Q303-T305 PolarHBondContact O-N 3.28Å; T305-P307 VanDerWaalsContact O-CD 3.3Å; T305-P307 WeakPolarHBondContact O-CD 3.47Å
306	I	55.5	Low	70.2	Confident	100 Å²	100	95.2 Å²	95.2	51%	0.513	56%	0.557	S	S	.	*			trans	-51.5	119.7	165.9	-62.9	175	0	0	0	102.9	P304 I308 I311	P304-I306 HydrophobicContact CB-CG1 4.44Å; P304-I306 HydrophobicContact CG-CG1 4.44Å; P304-I306 PolarHBondContact O-N 3.01Å; I306-I308 HydrophobicContact CG2-CG1 4.46Å; I306-I308 PolarHBondContact O-N 3.49Å; I306-I311 HydrophobicContact CG2-CD1 3.91Å
307	P	58	Low	69.6	Low	86 Å²	86	97.7 Å²	97.7	56%	0.558	57%	0.574	S	S	*	*			trans	-73.2	79.8	-176.8	29.4	-32.5	0	0	0	106.6	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-CD 3.3Å; T305-P307 WeakPolarHBondContact O-CD 3.47Å; P307-V309 PolarHBondContact O-N 2.79Å; P307-V309 VanDerWaalsContact O-N 3.14Å; P307-G310 WeakPolarHBondContact O-CA 3.46Å; P307-G310 PolarHBondContact O-N 3.21Å; P307-I311 PolarHBondContact O-N 2.99Å; P307-I311 VanDerWaalsContact O-N 3.16Å
308	I	60.2	Low	69	Low	122 Å²	122	96.2 Å²	96.2	63%	0.626	58%	0.576	S	S	*	*	H	α-helix	trans	-54.5	-34.3	177.4	-66.9	167.1	0	0	0	108.4	I306 G310 I311 V312	I306-I308 HydrophobicContact CG2-CG1 4.46Å; I306-I308 PolarHBondContact O-N 3.49Å; I308-G310 PolarHBondContact O-N 2.82Å; I308-I311 PolarHBondContact O-N 3.31Å; I308-V312 HydrophobicContact CG2-CG2 4.31Å; I308-V312 WeakPolarHBondContact O-CB 3.48Å; I308-V312 WeakPolarHBondContact O-CG2 3.06Å; I308-V312 PolarHBondContact O-N 3.23Å
309	V	59.5	Low	68.5	Low	123 Å²	123	96.5 Å²	96.5	75%	0.745	59%	0.588	S	S	*	*	H	α-helix	trans	-61	-41.2	172.6	178.7	0	0	0	0	112.7	P307 A313	P307-V309 PolarHBondContact O-N 2.79Å; P307-V309 VanDerWaalsContact O-N 3.14Å; V309-A313 VanDerWaalsContact O-CB 3.26Å; V309-A313 WeakPolarHBondContact O-CB 3.47Å; V309-A313 PolarHBondContact O-N 3.48Å
310	G	64.4	Low	68.2	Low	44 Å²	44	92.7 Å²	92.7	45%	0.454	58%	0.576	S	S	.	*	H	α-helix	trans	-69.3	-37.9	179.4	0	0	0	0	0	113	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.46Å; P307-G310 PolarHBondContact O-N 3.21Å; I308-G310 PolarHBondContact O-N 2.82Å; G310-G314 PolarHBondContact O-N 3.01Å
311	I	72	Confident	68.4	Low	97 Å²	97	93.9 Å²	93.9	50%	0.497	58%	0.578	S	S	.	*	H	α-helix	trans	-70	-43.8	176.5	-61.5	174.2	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.91Å; P307-I311 PolarHBondContact O-N 2.99Å; P307-I311 VanDerWaalsContact O-N 3.16Å; I308-I311 PolarHBondContact O-N 3.31Å; I311-G314 PolarHBondContact O-N 2.66Å; I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 HydrophobicContact CG2-CG 4.48Å; I311-L315 WeakPolarHBondContact O-CB 3.4Å; I311-L315 WeakPolarHBondContact O-CG 3.39Å; I311-L315 PolarHBondContact O-N 2.92Å
312	V	73.6	Confident	69.2	Low	89 Å²	89	92.1 Å²	92.1	54%	0.539	57%	0.57	S	S	.	*	H	α-helix	trans	-65.4	-42.6	178.1	173	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.31Å; I308-V312 WeakPolarHBondContact O-CB 3.48Å; I308-V312 WeakPolarHBondContact O-CG2 3.06Å; I308-V312 PolarHBondContact O-N 3.23Å; V312-L315 PolarHBondContact O-N 3.4Å; V312-A316 WeakPolarHBondContact O-CB 3.44Å; V312-A316 PolarHBondContact O-N 3.48Å
313	A	73.6	Confident	70.8	Confident	53 Å²	53	91.3 Å²	91.3	44%	0.438	56%	0.559	S	S	.	*	H	α-helix	trans	-63.5	-43.1	175	0	0	0	0	0	111.9	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.26Å; V309-A313 WeakPolarHBondContact O-CB 3.47Å; V309-A313 PolarHBondContact O-N 3.48Å; A313-A316 PolarHBondContact O-N 3.07Å; A313-V317 WeakPolarHBondContact O-CG2 3.08Å; A313-V317 PolarHBondContact O-N 2.87Å
314	G	79.1	Confident	72.4	Confident	34 Å²	34	88.2 Å²	88.2	35%	0.351	55%	0.548	S	S	.	.	H	α-helix	trans	-61.8	-43.5	176.9	0	0	0	0	0	113.1	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.01Å; I311-G314 PolarHBondContact O-N 2.66Å; G314-V317 PolarHBondContact O-N 3.5Å; G314-L318 PolarHBondContact O-N 2.61Å
315	L	83.9	Confident	74.2	Confident	110 Å²	110	85.3 Å²	85.3	58%	0.576	54%	0.536	S	S	*	.	H	α-helix	trans	-67.1	-38.6	176.9	-72.6	172.4	0	0	0	112.4	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 HydrophobicContact CG2-CG 4.48Å; I311-L315 WeakPolarHBondContact O-CB 3.4Å; I311-L315 WeakPolarHBondContact O-CG 3.39Å; I311-L315 PolarHBondContact O-N 2.92Å; V312-L315 PolarHBondContact O-N 3.4Å; L315-L318 PolarHBondContact O-N 3.43Å; L315-A319 WeakPolarHBondContact O-CB 3.5Å; L315-A319 PolarHBondContact O-N 2.97Å
316	A	81.6	Confident	75.5	Confident	54 Å²	54	81.6 Å²	81.6	45%	0.446	52%	0.519	S	S	.	.	H	α-helix	trans	-63.3	-43.1	175.7	0	0	0	0	0	111.7	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.44Å; V312-A316 PolarHBondContact O-N 3.48Å; A313-A316 PolarHBondContact O-N 3.07Å; A316-A319 PolarHBondContact O-N 3.07Å; A316-V320 WeakPolarHBondContact O-CG2 3.41Å; A316-V320 PolarHBondContact O-N 2.84Å
317	V	84.7	Confident	76.6	Confident	87 Å²	87	80.7 Å²	80.7	53%	0.527	52%	0.518	S	S	.	.	H	α-helix	trans	-63.9	-44.2	176.4	173.1	0	0	0	0	111.2	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.08Å; A313-V317 PolarHBondContact O-N 2.87Å; G314-V317 PolarHBondContact O-N 3.5Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.32Å; V317-V320 PolarHBondContact O-N 2.91Å; V317-L321 HydrophobicContact CG1-CD1 4Å; V317-L321 HydrophobicContact CG1-CG 4.41Å; V317-L321 WeakPolarHBondContact O-CG 3.47Å; V317-L321 PolarHBondContact O-N 2.78Å
318	L	84.1	Confident	77.5	Confident	114 Å²	114	80.7 Å²	80.7	60%	0.597	52%	0.516	S	S	*	.	H	α-helix	trans	-60.8	-41.5	176.2	-86.9	162.7	0	0	0	112.5	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 2.61Å; L315-L318 PolarHBondContact O-N 3.43Å; L318-L321 PolarHBondContact O-N 2.65Å; L318-A322 WeakPolarHBondContact O-CB 3.4Å; L318-A322 PolarHBondContact O-N 2.99Å
319	A	83.5	Confident	78.2	Confident	54 Å²	54	77.3 Å²	77.3	45%	0.446	51%	0.507	S	S	.	.	H	α-helix	trans	-63.4	-43.7	176.4	0	0	0	0	0	111.9	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.5Å; L315-A319 PolarHBondContact O-N 2.97Å; A316-A319 PolarHBondContact O-N 3.07Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.32Å; A319-A322 PolarHBondContact O-N 3.23Å; A319-V323 WeakPolarHBondContact O-CG2 3.37Å; A319-V323 PolarHBondContact O-N 3.32Å
320	V	84.3	Confident	78.9	Confident	86 Å²	86	75.3 Å²	75.3	52%	0.521	49%	0.494	S	S	.	.	H	α-helix	trans	-62.5	-44.1	176.5	172	0	0	0	0	111.2	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.41Å; A316-V320 PolarHBondContact O-N 2.84Å; V317-V320 PolarHBondContact O-N 2.91Å; V320-A322 VanDerWaalsContact C-N 3.35Å; V320-A322 PolarHBondContact O-N 2.74Å; V320-V323 PolarHBondContact O-N 3.03Å; V320-L324 HydrophobicContact CG1-CD1 3.96Å; V320-L324 WeakPolarHBondContact O-CG 3.23Å; V320-L324 PolarHBondContact O-N 3.43Å
321	L	83.9	Confident	79.2	Confident	104 Å²	104	77.2 Å²	77.2	55%	0.545	50%	0.497	S	S	.	.	H	α-helix	trans	-64.1	-39	177.5	-71	173.9	0	0	0	112.3	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 4Å; V317-L321 HydrophobicContact CG1-CG 4.41Å; V317-L321 WeakPolarHBondContact O-CG 3.47Å; V317-L321 PolarHBondContact O-N 2.78Å; L318-L321 PolarHBondContact O-N 2.65Å; L321-L324 PolarHBondContact O-N 3.2Å; L321-G325 PolarHBondContact O-N 2.88Å
322	A	82	Confident	79.2	Confident	66 Å²	66	78.8 Å²	78.8	55%	0.545	50%	0.504	S	S	.	.	H	α-helix	trans	-64.2	-42.1	176	0	0	0	0	0	112	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.4Å; L318-A322 PolarHBondContact O-N 2.99Å; A319-A322 PolarHBondContact O-N 3.23Å; V320-A322 VanDerWaalsContact C-N 3.35Å; V320-A322 PolarHBondContact O-N 2.74Å; A322-G325 PolarHBondContact O-N 2.88Å; A322-A326 WeakPolarHBondContact O-CB 3.37Å; A322-A326 PolarHBondContact O-N 3.42Å
323	V	82.1	Confident	78.7	Confident	95 Å²	95	78.8 Å²	78.8	58%	0.576	51%	0.507	S	S	*	.	H	α-helix	trans	-64.5	-44.6	176	173.4	0	0	0	0	111	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.37Å; A319-V323 PolarHBondContact O-N 3.32Å; V320-V323 PolarHBondContact O-N 3.03Å; V323-G325 PolarHBondContact O-N 3.24Å; V323-A326 PolarHBondContact O-N 3.08Å; V323-V327 VanDerWaalsContact O-CG2 3.31Å; V323-V327 WeakPolarHBondContact O-CG2 3.17Å; V323-V327 PolarHBondContact O-N 3.47Å
324	L	80.8	Confident	78.1	Confident	100 Å²	100	85.4 Å²	85.4	52%	0.524	52%	0.52	S	S	.	.	H	α-helix	trans	-62.2	-43.5	176.2	-73.4	169.4	0	0	0	111.6	V320 L321 A326 V327 V328	V320-L324 HydrophobicContact CG1-CD1 3.96Å; V320-L324 WeakPolarHBondContact O-CG 3.23Å; V320-L324 PolarHBondContact O-N 3.43Å; L321-L324 PolarHBondContact O-N 3.2Å; L324-A326 PolarHBondContact O-N 3.21Å; L324-V327 PolarHBondContact O-N 2.94Å; L324-V328 WeakPolarHBondContact O-CG2 3.32Å; L324-V328 PolarHBondContact O-N 3.31Å
325	G	80.6	Confident	77.1	Confident	41 Å²	41	93.9 Å²	93.9	42%	0.423	54%	0.542	S	S	.	.	H	α-helix	trans	-59.6	-43.3	175	0	0	0	0	0	112.8	L321 A322 V323 V328 A329	L321-G325 PolarHBondContact O-N 2.88Å; A322-G325 PolarHBondContact O-N 2.88Å; V323-G325 PolarHBondContact O-N 3.24Å; G325-V328 PolarHBondContact O-N 3.42Å; G325-A329 WeakPolarHBondContact O-CB 3.41Å; G325-A329 PolarHBondContact O-N 3.17Å
326	A	78.3	Confident	75.5	Confident	54 Å²	54	97.2 Å²	97.2	45%	0.446	55%	0.552	S	S	.	*	H	α-helix	trans	-64.8	-41.8	176.2	0	0	0	0	0	112.3	A322 V323 L324 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.37Å; A322-A326 PolarHBondContact O-N 3.42Å; V323-A326 PolarHBondContact O-N 3.08Å; L324-A326 PolarHBondContact O-N 3.21Å; A326-A329 PolarHBondContact O-N 3.13Å; A326-V330 VanDerWaalsContact O-CG2 3.3Å; A326-V330 WeakPolarHBondContact O-CG2 3.46Å; A326-V330 PolarHBondContact O-N 2.9Å
327	V	78.7	Confident	74	Confident	82 Å²	82	99.3 Å²	99.3	50%	0.497	56%	0.563	S	S	.	*	H	α-helix	trans	-63.2	-44.6	176.6	171	0	0	0	0	110.9	V323 L324 A329 V330 V331	V323-V327 VanDerWaalsContact O-CG2 3.31Å; V323-V327 WeakPolarHBondContact O-CG2 3.17Å; V323-V327 PolarHBondContact O-N 3.47Å; L324-V327 PolarHBondContact O-N 2.94Å; V327-A329 PolarHBondContact O-N 3.35Å; V327-V330 PolarHBondContact O-N 3.48Å; V327-V331 HydrophobicContact CG1-CG2 4.39Å; V327-V331 WeakPolarHBondContact O-CB 3.39Å; V327-V331 VanDerWaalsContact O-CG2 3.25Å; V327-V331 WeakPolarHBondContact O-CG2 3.42Å; V327-V331 PolarHBondContact O-N 2.81Å
328	V	77.1	Confident	72.3	Confident	85 Å²	85	100 Å²	100	52%	0.515	57%	0.572	S	S	.	*	H	α-helix	trans	-61.7	-44.3	176	172.8	0	0	0	0	111	L324 G325 V330 V331 M332	L324-V328 WeakPolarHBondContact O-CG2 3.32Å; L324-V328 PolarHBondContact O-N 3.31Å; G325-V328 PolarHBondContact O-N 3.42Å; V328-V330 PolarHBondContact O-N 2.98Å; V328-V331 PolarHBondContact O-N 3.48Å; V328-M332 HydrophobicContact CG1-CG 4.42Å; V328-M332 HydrophobicContact CG1-SD 4.23Å; V328-M332 WeakPolarHBondContact O-CB 3.28Å; V328-M332 WeakPolarHBondContact O-CG 3.41Å; V328-M332 PolarHBondContact O-N 3Å
329	A	74.3	Confident	70.4	Confident	52 Å²	52	97.7 Å²	97.7	43%	0.43	58%	0.575	S	S	.	*	H	α-helix	trans	-61	-44.2	176.9	0	0	0	0	0	112.2	G325 A326 V327 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.41Å; G325-A329 PolarHBondContact O-N 3.17Å; A326-A329 PolarHBondContact O-N 3.13Å; V327-A329 PolarHBondContact O-N 3.35Å; A329-M332 PolarHBondContact O-N 2.73Å; A329-C333 WeakPolarHBondContact O-CB 3.11Å; A329-C333 PolarHBondContact O-N 3.14Å; A329-C333 PolarHBondContact O-SG 2.94Å
330	V	73.7	Confident	68.2	Low	80 Å²	80	99.2 Å²	99.2	49%	0.485	60%	0.596	S	S	.	*	H	α-helix	trans	-64.6	-41.1	176.6	170.2	0	0	0	0	111.6	A326 V327 V328 C333 R334	A326-V330 VanDerWaalsContact O-CG2 3.3Å; A326-V330 WeakPolarHBondContact O-CG2 3.46Å; A326-V330 PolarHBondContact O-N 2.9Å; V327-V330 PolarHBondContact O-N 3.48Å; V328-V330 PolarHBondContact O-N 2.98Å; V330-C333 PolarHBondContact O-N 3.32Å; V330-R334 WeakPolarHBondContact O-CB 3.3Å; V330-R334 WeakPolarHBondContact O-CG 3.49Å; V330-R334 PolarHBondContact O-N 3.06Å
331	V	72.6	Confident	65.8	Low	84 Å²	84	105.5 Å²	105.5	51%	0.509	62%	0.617	S	S	.	*	H	α-helix	trans	-66.5	-40.6	177.2	171.4	0	0	0	0	111.1	V327 V328 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.39Å; V327-V331 WeakPolarHBondContact O-CB 3.39Å; V327-V331 VanDerWaalsContact O-CG2 3.25Å; V327-V331 WeakPolarHBondContact O-CG2 3.42Å; V327-V331 PolarHBondContact O-N 2.81Å; V328-V331 PolarHBondContact O-N 3.48Å; V331-R334 PolarHBondContact O-N 3.04Å; V331-R335 WeakPolarHBondContact O-CB 3.44Å; V331-R335 PolarHBondContact O-N 3.09Å
332	M	71.4	Confident	63.4	Low	131 Å²	131	104.4 Å²	104.4	65%	0.645	63%	0.631	S	S	*	*	H	α-helix	trans	-66.5	-41.1	174.7	-73.3	-171	72	0	0	112.2	V328 A329 R334 R335 K336	V328-M332 HydrophobicContact CG1-CG 4.42Å; V328-M332 HydrophobicContact CG1-SD 4.23Å; V328-M332 WeakPolarHBondContact O-CB 3.28Å; V328-M332 WeakPolarHBondContact O-CG 3.41Å; V328-M332 PolarHBondContact O-N 3Å; A329-M332 PolarHBondContact O-N 2.73Å; M332-R334 VanDerWaalsContact C-N 3.34Å; M332-R334 PolarHBondContact O-N 3.2Å; M332-R335 PolarHBondContact O-N 2.6Å; M332-K336 WeakPolarHBondContact O-CB 3.21Å; M332-K336 PolarHBondContact O-N 3.33Å
333	C	62.5	Low	61	Low	89 Å²	89	104.9 Å²	104.9	60%	0.601	64%	0.642	S	S	*	*	H	α-helix	trans	-61.8	-41	173	-80.7	0	0	0	0	111.7	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.11Å; A329-C333 PolarHBondContact O-N 3.14Å; A329-C333 PolarHBondContact O-SG 2.94Å; V330-C333 PolarHBondContact O-N 3.32Å; C333-K336 PolarHBondContact O-N 2.86Å; C333-S337 PolarHBondContact O-N 3.2Å; C333-S337 PolarHBondContact O-OG 3.32Å
334	R	61.2	Low	58.7	Low	192 Å²	192	106.1 Å²	106.1	73%	0.725	65%	0.654	S	S	*	*	H	α-helix	trans	-68.9	-32.3	175.7	-79.7	-173.1	152.1	165.3	-3.7	113.5	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.3Å; V330-R334 WeakPolarHBondContact O-CG 3.49Å; V330-R334 PolarHBondContact O-N 3.06Å; V331-R334 PolarHBondContact O-N 3.04Å; M332-R334 VanDerWaalsContact C-N 3.34Å; M332-R334 PolarHBondContact O-N 3.2Å; R334-K336 VanDerWaalsContact C-N 3.34Å; R334-S337 PolarHBondContact O-OG 3.38Å
335	R	57.4	Low	56.4	Low	212 Å²	212	106.7 Å²	106.7	80%	0.8	67%	0.666	S	S	*	*	H	α-helix	trans	-71.4	-28.5	171.7	-115.8	-180	173.9	175	-1.5	112.6	V331 M332 S338	V331-R335 WeakPolarHBondContact O-CB 3.44Å; V331-R335 PolarHBondContact O-N 3.09Å; M332-R335 PolarHBondContact O-N 2.6Å; R335-S338 PolarHBondContact O-OG 2.94Å
336	K	50.3	Low	54.1	Low	180 Å²	180	109.9 Å²	109.9	78%	0.783	68%	0.682	S	S	*	*	H	α-helix	trans	-85.7	-22	179.4	-163.2	168.5	-179	178.6	0	113.2	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.21Å; M332-K336 PolarHBondContact O-N 3.33Å; C333-K336 PolarHBondContact O-N 2.86Å; R334-K336 VanDerWaalsContact C-N 3.34Å
337	S	51	Low	52.1	Low	97 Å²	97	116.6 Å²	116.6	68%	0.678	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	1.6	177.3	60.3	0	0	0	0	115.1	C333 R334	C333-S337 PolarHBondContact O-N 3.2Å; C333-S337 PolarHBondContact O-OG 3.32Å; R334-S337 PolarHBondContact O-OG 3.38Å
338	S	48.8	Very low	49.8	Very low	103 Å²	103	117.1 Å²	117.1	72%	0.72	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	16.5	175.6	71.6	0	0	0	0	114.3	R335	R335-S338 PolarHBondContact O-OG 2.94Å
339	G	44.3	Very low	47.8	Very low	64 Å²	64	117.3 Å²	117.3	66%	0.66	73%	0.727	S	S	*	*	S	Bend	trans	-157.4	110.7	173.2	0	0	0	0	0	112.6
340	G	36.1	Very low	46	Very low	87 Å²	87	120.3 Å²	120.3	90%	0.897	75%	0.745	S	S	*	*			trans	132.3	115	158.1	0	0	0	0	0	115.8
341	K	35.7	Very low	44.2	Very low	218 Å²	218	122 Å²	122	95%	0.948	76%	0.76	S	S	*	*			trans	-90	153	-173.8	-169.6	162.3	176.3	170.9	0	112.5
342	G	33.3	Very low	42.5	Very low	81 Å²	81	125.5 Å²	125.5	84%	0.835	78%	0.776	S	S	*	*			trans	98.3	141.6	159	0	0	0	0	0	115.4
343	G	31.5	Very low	41	Very low	76 Å²	76	125.6 Å²	125.6	78%	0.784	79%	0.789	S	S	*	*			cis	173.8	141.9	-0.8	0	0	0	0	0	109.6
344	S	33.9	Very low	39.9	Very low	120 Å²	120	125.7 Å²	125.7	84%	0.839	80%	0.797	S	S	*	*			trans	42.4	142.5	152.7	-159.4	0	0	0	0	125.8
345	C	32	Very low	38.7	Very low	112 Å²	112	126.3 Å²	126.3	76%	0.757	81%	0.808	S	S	*	*			trans	-13.2	155.7	159.1	-66.9	0	0	0	0	120.1
346	S	32.8	Very low	37.4	Very low	109 Å²	109	119.6 Å²	119.6	76%	0.762	81%	0.805	S	S	*	*			cis	-171	143.2	49.1	-33.9	0	0	0	0	113.5
347	Q	36.6	Very low	36.8	Very low	195 Å²	195	116.3 Å²	116.3	91%	0.911	81%	0.805	S	S	*	*				24.7	134.2	129.5	-144.6	173.2	12.1	0	0	123.9
348	A	30.4	Very low	36.2	Very low	92 Å²	92	118.6 Å²	118.6	76%	0.76	81%	0.809	S	S	*	*				178.3	116.5	129	0	0	0	0	0	109.4
349	A	35	Very low	35.4	Very low	89 Å²	89	122.1 Å²	122.1	74%	0.736	81%	0.814	S	S	*	*				96.6	110.2	82.4	0	0	0	0	0	111.6
350	S	34.9	Very low	34.8	Very low	115 Å²	115	123.6 Å²	123.6	80%	0.804	81%	0.814	S	S	*	*				104.8	148.4	95.3	76.8	0	0	0	0	109.5
351	S	35.8	Very low	34.7	Very low	115 Å²	115	126.5 Å²	126.5	80%	0.804	81%	0.809	S	S	*	*			cis	-167.1	164.3	28.1	42.1	0	0	0	0	111.9
352	N	37.8	Very low	34.6	Very low	158 Å²	158	123.3 Å²	123.3	85%	0.845	80%	0.8	S	S	*	*			trans	-75.6	163.4	178	-72.5	-31	0	0	0	114.8
353	S	38.8	Very low	34.6	Very low	133 Å²	133	123.4 Å²	123.4	93%	0.93	79%	0.794	S	S	*	*			trans	-154.8	144.5	136.4	-45	0	0	0	0	111.1
354	A	39.6	Very low	34.7	Very low	92 Å²	92	126 Å²	126	76%	0.76	80%	0.798	S	S	*	*			trans	-123.9	156.6	-173.2	0	0	0	0	0	111.3
355	Q	36.3	Very low	34.8	Very low	204 Å²	204	130.1 Å²	130.1	95%	0.953	80%	0.801	S	S	*	*			trans	161.7	141.8	147	-99.1	167.6	-24	0	0	109.1
356	G	29.7	Very low	35.1	Very low	71 Å²	71	133 Å²	133	73%	0.732	83%	0.833	S	S	*	*			cis	-171	168.7	4.7	0	0	0	0	0	110.7
357	S	39.5	Very low	35.3	Very low	112 Å²	112	134.3 Å²	134.3	78%	0.783	84%	0.837	S	S	*	*			trans	-64.5	172.2	172.4	-16	0	0	0	0	112.3
358	D	37.3	Very low	35.2	Very low	145 Å²	145	131.1 Å²	131.1	78%	0.775	83%	0.833	S	S	*	*			cis	-169.5	170.5	10.9	-125.5	-30.8	0	0	0	109.2
359	E	31.8	Very low	35.5	Very low	177 Å²	177	133.2 Å²	133.2	83%	0.827	84%	0.837	S	S	*	*			trans	66.8	144	157.1	-77.6	-168.8	135.3	0	0	120.5
360	S	32.7	Very low	35.5	Very low	94 Å²	94	135.8 Å²	135.8	66%	0.657	84%	0.843	S	S	*	*			cis	-169.7	148.2	14.9	46.5	0	0	0	0	111.9
361	L	33.3	Very low	35.5	Very low	149 Å²	149	137.1 Å²	137.1	78%	0.78	85%	0.845	S	S	*	*			trans	59	117.6	134.7	-64.5	172.7	0	0	0	123.6
362	I	33.9	Very low	35.5	Very low	150 Å²	150	138.6 Å²	138.6	77%	0.769	85%	0.848	S	S	*	*				97.3	138.8	120.6	-71.5	174.4	0	0	0	121.5
363	A	33.7	Very low	35.3	Very low	84 Å²	84	137.2 Å²	137.2	69%	0.694	85%	0.848	S	S	*	*			trans	79.1	99	161.3	0	0	0	0	0	117.4
364	C	33.5	Very low	35.1	Very low	130 Å²	130	137.5 Å²	137.5	88%	0.878	84%	0.842	S	S	*	*				88.8	109.4	63.9	-79.9	0	0	0	0	114.6
365	K	35.2	Very low	34.7	Very low	206 Å²	206	141.3 Å²	141.3	90%	0.896	85%	0.849	S	S	*	*			trans	-7.8	136.7	138.9	-87.1	176.3	168.1	178	0	116.6
366	A	39.6	Very low	34.6	Very low	174 Å²	174	135.6 Å²	135.6	100%	1.438	84%	0.839	S	S	*	*				-138.6	0	99.6	0	0	0	0	0	108.4

Retrieved 366 of 366 residues in 80.9 ms (Link to these results)

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