A0A061I9R5_CRIGR Loading...

DNA-directed RNA polymerase II subunit RPB11-a

AlphaFold DB (D3ZQI0), UniProt , Accession A0A061I9R5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC100766101, Length 117 aa.

						>A0A061I9R5_CRIGR|A0A061I9R5|LOC100766101
MNAPPAFESFLLFEGEKKITINKDTKVPNACLFTINKEDHTLGNIIKSQLLKDPQVLFAGYKVPHPLEHKIIIRVQTTPDYSPQEAFTNAITDLISELSLLEERFRVAIKDKQEGIE
					

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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	76.7	Confident	88.1	Confident	221 Å²	221	100.3 Å²	100.3	100%	1.089	56%	0.561	S	S	*	*				0	119.8	0	-162	-167.3	-74.2	0	0	106	A3	M1-A3 PolarHBondContact O-N 2.92Å; M1-A3 HydrophobicContact SD-CB 4.46Å
2	N	85.6	Confident	88.7	Confident	174 Å²	174	97.4 Å²	97.4	93%	0.93	54%	0.543	S	S	*	.			trans	-80.5	38.7	-173.2	-68.2	-8.3	0	0	0	112.7
3	A	85.7	Confident	88.9	Confident	65 Å²	65	96.2 Å²	96.2	54%	0.537	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-84.2	130	179.9	0	0	0	0	0	109.5	M1	M1-A3 PolarHBondContact O-N 2.92Å; M1-A3 HydrophobicContact SD-CB 4.46Å
4	P	85.5	Confident	89.3	Confident	75 Å²	75	103.9 Å²	103.9	49%	0.487	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-57.5	146.7	171	-22.9	33.2	0	0	0	111.2	A6	P4-A6 PolarHBondContact O-N 3.31Å
5	P	89.3	Confident	89.5	Confident	57 Å²	57	102.3 Å²	102.3	37%	0.37	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-59.4	133.1	173.4	-19.4	29.1	0	0	0	112.1	F7 E8	P5-F7 HydrophobicContact CB-CD1 3.59Å; P5-F7 HydrophobicContact CB-CE1 3.18Å; P5-F7 HydrophobicContact CB-CE2 4.29Å; P5-F7 HydrophobicContact CB-CG 4.31Å; P5-F7 HydrophobicContact CB-CZ 3.57Å; P5-F7 HydrophobicContact CG-CE1 3.97Å; P5-F7 HydrophobicContact CG-CZ 3.97Å; P5-F7 PolarHBondContact O-N 3.5Å; P5-F7 VanDerWaalsContact O-N 3.11Å; P5-E8 HydrophobicContact CB-CG 4.31Å; P5-E8 WeakPolarHBondContact CD-OE1 2.94Å; P5-E8 HydrophobicContact CG-CG 4.48Å; P5-E8 WeakPolarHBondContact O-CB 3.49Å; P5-E8 WeakPolarHBondContact O-CG 3.18Å; P5-E8 PolarHBondContact O-N 2.98Å; P5-E8 VanDerWaalsContact O-N 3.09Å
6	A	89	Confident	89.7	Confident	80 Å²	80	100.8 Å²	100.8	66%	0.661	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-60.3	-28.2	-175.9	0	0	0	0	0	113.7	P4 E8 S9	P4-A6 PolarHBondContact O-N 3.31Å; A6-E8 PolarHBondContact O-N 2.76Å; A6-S9 PolarHBondContact O-N 3.22Å; A6-S9 PolarHBondContact O-OG 3.12Å
7	F	92.4	Very high	90.1	Very high	93 Å²	93	103.7 Å²	103.7	41%	0.408	57%	0.569	S	S	.	*	G	3₁₀ helix	trans	-65.6	-22.2	179.7	65.6	-103.9	0	0	0	113.1	P5 S9 F10 L11 F13	P5-F7 HydrophobicContact CB-CD1 3.59Å; P5-F7 HydrophobicContact CB-CE1 3.18Å; P5-F7 HydrophobicContact CB-CE2 4.29Å; P5-F7 HydrophobicContact CB-CG 4.31Å; P5-F7 HydrophobicContact CB-CZ 3.57Å; P5-F7 HydrophobicContact CG-CE1 3.97Å; P5-F7 HydrophobicContact CG-CZ 3.97Å; P5-F7 PolarHBondContact O-N 3.5Å; P5-F7 VanDerWaalsContact O-N 3.11Å; F7-S9 PolarHBondContact O-N 2.98Å; F7-S9 VanDerWaalsContact O-N 3.09Å; F7-F10 HydrophobicContact CB-CE1 4.4Å; F7-F10 HydrophobicContact CB-CZ 4.06Å; F7-F10 PolarHBondContact O-N 2.9Å; F7-L11 HydrophobicContact CB-CB 4.46Å; F7-L11 HydrophobicContact CD2-CD2 4.04Å; F7-L11 WeakPolarHBondContact O-CB 3.45Å; F7-L11 PolarHBondContact O-N 2.66Å; F7-F13 HydrophobicContact CD2-CE1 4.32Å; F7-F13 HydrophobicContact CD2-CZ 4.22Å; F7-F13 AromaticContact CE2-CE1 3.89Å; F7-F13 HydrophobicContact CE2-CE1 3.89Å; F7-F13 AromaticContact CE2-CZ 3.83Å; F7-F13 HydrophobicContact CE2-CZ 3.83Å
8	E	90	Very high	90.4	Very high	65 Å²	65	101.9 Å²	101.9	30%	0.304	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-61.3	-21.6	179.3	-67.4	-173.2	173.9	0	0	112.7	P5 A6 F13 K37 H69	P5-E8 HydrophobicContact CB-CG 4.31Å; P5-E8 WeakPolarHBondContact CD-OE1 2.94Å; P5-E8 HydrophobicContact CG-CG 4.48Å; P5-E8 WeakPolarHBondContact O-CB 3.49Å; P5-E8 WeakPolarHBondContact O-CG 3.18Å; P5-E8 PolarHBondContact O-N 2.98Å; P5-E8 VanDerWaalsContact O-N 3.09Å; A6-E8 PolarHBondContact O-N 2.76Å; E8-F13 HydrophobicContact CG-CZ 4.15Å; E8-K37 VanDerWaalsContact O-CD 3.27Å; E8-K37 WeakPolarHBondContact O-CD 3.24Å; E8-K37 PolarHBondContact O-NZ 3.16Å; E8-H69 PolarHBondContact O-CD2 3.43Å
9	S	88.8	Confident	90.7	Very high	46 Å²	46	100.8 Å²	100.8	32%	0.322	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-76.2	-30.5	-177.9	64.4	0	0	0	0	114.6	A6 F7 K37 H69	A6-S9 PolarHBondContact O-N 3.22Å; A6-S9 PolarHBondContact O-OG 3.12Å; F7-S9 PolarHBondContact O-N 2.98Å; F7-S9 VanDerWaalsContact O-N 3.09Å; S9-K37 WeakPolarHBondContact O-CA 3.49Å; S9-K37 WeakPolarHBondContact O-CB 3.28Å; S9-H69 VanDerWaalsContact CA-CD2 3.44Å; S9-H69 WeakPolarHBondContact CA-CD2 3.27Å
10	F	92	Very high	91	Very high	145 Å²	145	98.4 Å²	98.4	64%	0.636	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.4	-22.1	-174.3	61.7	-96.3	0	0	0	114	F7	F7-F10 HydrophobicContact CB-CE1 4.4Å; F7-F10 HydrophobicContact CB-CZ 4.06Å; F7-F10 PolarHBondContact O-N 2.9Å
11	L	94.4	Very high	91.2	Very high	82 Å²	82	97.8 Å²	97.8	43%	0.429	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-82.7	122.2	-179.8	-171.5	69.2	0	0	0	110.5	F7 F13 K37	F7-L11 HydrophobicContact CB-CB 4.46Å; F7-L11 HydrophobicContact CD2-CD2 4.04Å; F7-L11 WeakPolarHBondContact O-CB 3.45Å; F7-L11 PolarHBondContact O-N 2.66Å; L11-F13 HydrophobicContact CD2-CE1 4.4Å; L11-K37 WeakPolarHBondContact O-CD 3.41Å; L11-K37 WeakPolarHBondContact O-CE 3.39Å; L11-K37 PolarHBondContact O-NZ 2.79Å
12	L	94.8	Very high	92.1	Very high	66 Å²	66	91.3 Å²	91.3	35%	0.346	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-77.3	128.5	167.1	-78.2	159.6	0	0	0	109.7	E16 K18 N36 K37	L12-E16 HydrophobicContact CD2-CB 3.99Å; L12-K18 HydrophobicContact CD1-CB 4.03Å; L12-K18 HydrophobicContact CD1-CD 3.85Å; L12-K18 HydrophobicContact CD1-CG 4.49Å; L12-N36 HydrophobicContact CD2-CB 3.99Å; L12-K37 HydrophobicContact CD2-CG 3.94Å; L12-K37 HydrophobicContact CG-CG 3.98Å
13	F	92.2	Very high	92.5	Very high	82 Å²	82	91 Å²	91	36%	0.36	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-81.5	164.7	176.2	-63.1	-67.8	0	0	0	112	F7 E8 L11 G15 E16	F7-F13 HydrophobicContact CD2-CE1 4.32Å; F7-F13 HydrophobicContact CD2-CZ 4.22Å; F7-F13 AromaticContact CE2-CE1 3.89Å; F7-F13 HydrophobicContact CE2-CE1 3.89Å; F7-F13 AromaticContact CE2-CZ 3.83Å; F7-F13 HydrophobicContact CE2-CZ 3.83Å; E8-F13 HydrophobicContact CG-CZ 4.15Å; L11-F13 HydrophobicContact CD2-CE1 4.4Å; F13-G15 PolarHBondContact O-N 3.24Å; F13-E16 HydrophobicContact CB-CG 4.11Å; F13-E16 PolarHBondContact N-OE2 3.22Å; F13-E16 WeakPolarHBondContact O-CB 3.29Å; F13-E16 PolarHBondContact O-N 2.83Å
14	E	93.4	Very high	92.8	Very high	204 Å²	204	89.2 Å²	89.2	95%	0.953	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	127.9	178.4	-169.3	175.7	-177.7	0	0	111.1	E16	E14-E16 VanDerWaalsContact C-N 3.31Å; E14-E16 PolarHBondContact O-N 3.01Å
15	G	93.6	Very high	93.1	Very high	79 Å²	79	92.2 Å²	92.2	81%	0.814	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	-11.3	-176.6	0	0	0	0	0	115.3	F13	F13-G15 PolarHBondContact O-N 3.24Å
16	E	92.7	Very high	93.2	Very high	78 Å²	78	98.2 Å²	98.2	36%	0.364	51%	0.51	S	S	.	.			trans	-77	125.5	175.4	-65.5	-171.7	152.7	0	0	111.4	L12 F13 E14 K37	L12-E16 HydrophobicContact CD2-CB 3.99Å; F13-E16 HydrophobicContact CB-CG 4.11Å; F13-E16 PolarHBondContact N-OE2 3.22Å; F13-E16 WeakPolarHBondContact O-CB 3.29Å; F13-E16 PolarHBondContact O-N 2.83Å; E14-E16 VanDerWaalsContact C-N 3.31Å; E14-E16 PolarHBondContact O-N 3.01Å; E16-K37 VanDerWaalsContact OE2-CE 3.27Å; E16-K37 WeakPolarHBondContact OE2-CE 3.48Å; E16-K37 IonicContact OE2-NZ 3.77Å
17	K	95.6	Very high	93.3	Very high	151 Å²	151	96.1 Å²	96.1	66%	0.657	49%	0.489	S	S	*	.			trans	-83.3	137.2	170.8	-64.7	-177.7	-179.3	179.7	0	109.7	I19 N36	K17-I19 VanDerWaalsContact C-N 3.32Å; K17-I19 PolarHBondContact O-N 2.84Å; K17-N36 PolarHBondContact O-ND2 2.9Å
18	K	95.4	Very high	93.4	Very high	72 Å²	72	96.7 Å²	96.7	31%	0.313	50%	0.502	S	S	.	.	S	Bend	trans	-59.5	-44	174.3	-176.3	68.9	-176.7	179.8	0	111.8	L12 I35 N36 K37 E38	L12-K18 HydrophobicContact CD1-CB 4.03Å; L12-K18 HydrophobicContact CD1-CD 3.85Å; L12-K18 HydrophobicContact CD1-CG 4.49Å; K18-I35 CarbonylContact O-C 3.59Å; K18-I35 WeakPolarHBondContact O-CA 3.4Å; K18-N36 VanDerWaalsContact CD-O 3.32Å; K18-N36 WeakPolarHBondContact CD-O 3.37Å; K18-N36 WeakPolarHBondContact CE-O 3.48Å; K18-N36 PolarHBondContact NZ-O 2.87Å; K18-N36 PolarHBondContact O-N 2.94Å; K18-K37 PolarHBondContact NZ-O 2.84Å; K18-K37 VanDerWaalsContact NZ-O 3.09Å; K18-E38 VanDerWaalsContact CE-OE1 3.3Å; K18-E38 WeakPolarHBondContact CE-OE1 3.47Å; K18-E38 IonicContact NZ-OE1 2.68Å; K18-E38 PolarHBondContact NZ-OE1 3.46Å
19	I	96	Very high	93.5	Very high	81 Å²	81	96.1 Å²	96.1	42%	0.415	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	133.7	-177.9	-54.4	179.2	0	0	0	109.2	K17 I21 T34 I35	K17-I19 VanDerWaalsContact C-N 3.32Å; K17-I19 PolarHBondContact O-N 2.84Å; I19-I21 HydrophobicContact CG2-CG1 4.35Å; I19-T34 CarbonylContact C-O 3.54Å; I19-T34 WeakPolarHBondContact CA-O 3.41Å; I19-I35 HydrophobicContact CG1-CG1 4.37Å; I19-I35 HydrophobicContact CG1-CG2 4.23Å
20	T	96.6	Very high	93.9	Very high	52 Å²	52	94.1 Å²	94.1	32%	0.319	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.8	169.9	-59.2	0	0	0	0	109.4	T34	T20-T34 PolarHBondContact N-O 2.83Å; T20-T34 PolarHBondContact O-N 2.87Å
21	I	96.3	Very high	94.1	Very high	86 Å²	86	87.4 Å²	87.4	44%	0.441	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	123.6	-177.9	-51.3	176.5	0	0	0	108.4	I19 F33	I19-I21 HydrophobicContact CG2-CG1 4.35Å; I21-F33 HydrophobicContact CD1-CD1 4.21Å; I21-F33 HydrophobicContact CD1-CE1 3.94Å; I21-F33 HydrophobicContact CG1-CD1 3.81Å; I21-F33 HydrophobicContact CG1-CE1 3.98Å; I21-F33 HydrophobicContact CG2-CD1 4.21Å; I21-F33 HydrophobicContact CG2-CE1 3.95Å
22	N	95.2	Very high	94.2	Very high	84 Å²	84	85.7 Å²	85.7	45%	0.449	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.5	174.6	-66.1	-61.1	0	0	0	109.4	L32	N22-L32 HydrophobicContact CB-CB 4.46Å; N22-L32 PolarHBondContact N-O 2.78Å; N22-L32 PolarHBondContact O-N 2.77Å
23	K	94.3	Very high	94.3	Very high	168 Å²	168	82.8 Å²	82.8	73%	0.73	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	134.9	171.9	-64.3	-174.6	178.8	-175.3	0	109.1	T25	K23-T25 PolarHBondContact O-N 2.87Å
24	D	91.6	Very high	94.6	Very high	28 Å²	28	80 Å²	80	15%	0.15	42%	0.424	C	S	.	.			trans	-74.4	125.4	174.5	-167	-19.4	0	0	0	108.7	K26 A30 L32 R74	D24-K26 WeakPolarHBondContact OD1-CB 3.19Å; D24-K26 PolarHBondContact OD1-N 3.2Å; D24-A30 HydrophobicContact CB-CB 3.81Å; D24-A30 WeakPolarHBondContact CB-O 3.37Å; D24-A30 PolarHBondContact N-O 2.94Å; D24-L32 HydrophobicContact CB-CD1 3.98Å; D24-R74 IonicContact OD2-CZ 3.43Å; D24-R74 IonicContact OD2-NE 3.31Å; D24-R74 PolarHBondContact OD2-NE 3.32Å; D24-R74 IonicContact OD2-NH2 2.76Å; D24-R74 PolarHBondContact OD2-NH2 2.81Å
25	T	91.1	Very high	94.8	Very high	138 Å²	138	70.5 Å²	70.5	85%	0.847	38%	0.38	S	S	*	.	S	Bend	trans	-83.8	-15.9	179.1	54.8	0	0	0	0	112.7	K23	K23-T25 PolarHBondContact O-N 2.87Å
26	K	92	Very high	94.9	Very high	183 Å²	183	68.2 Å²	68.2	80%	0.796	35%	0.348	S	S	*	.	S	Bend	trans	-92	-26.5	-174.9	-60.9	-177	-179.7	-178.6	0	113	D24	D24-K26 WeakPolarHBondContact OD1-CB 3.19Å; D24-K26 PolarHBondContact OD1-N 3.2Å
27	V	92.1	Very high	95	Very high	35 Å²	35	65.7 Å²	65.7	21%	0.212	34%	0.336	C	S	.	.	S	Bend	trans	-126.9	127.8	-175.3	178.7	0	0	0	0	108.9	A30 Q76	V27-A30 HydrophobicContact CB-CB 4.03Å; V27-A30 HydrophobicContact CG1-CB 3.97Å; V27-Q76 HydrophobicContact CG1-CG 4.18Å
28	P	92.5	Very high	95	Very high	106 Å²	106	61.3 Å²	61.3	69%	0.688	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	144.5	178.4	28.2	-35	0	0	0	110.3	A30	P28-A30 PolarHBondContact O-N 3.01Å
29	N	93.7	Very high	95	Very high	53 Å²	53	61.6 Å²	61.6	28%	0.283	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	39.8	176.1	-150.8	42.5	0	0	0	113.9	Q76 T77 T78 Y81 P83	N29-Q76 WeakPolarHBondContact O-CA 3.49Å; N29-T77 PolarHBondContact ND2-O 3.11Å; N29-T77 PolarHBondContact ND2-OG1 3.27Å; N29-T77 PolarHBondContact O-N 3.09Å; N29-T78 PolarHBondContact ND2-O 2.76Å; N29-Y81 PolarHBondContact ND2-O 3.14Å; N29-P83 WeakPolarHBondContact O-CG 3.36Å; N29-P83 WeakPolarHBondContact OD1-CD 3.4Å
30	A	96.3	Very high	95	Very high	4 Å²	4	62.8 Å²	62.8	3%	0.033	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	141.6	174.9	0	0	0	0	0	111.1	D24 V27 P28 V75 Q76	D24-A30 HydrophobicContact CB-CB 3.81Å; D24-A30 WeakPolarHBondContact CB-O 3.37Å; D24-A30 PolarHBondContact N-O 2.94Å; V27-A30 HydrophobicContact CB-CB 4.03Å; V27-A30 HydrophobicContact CG1-CB 3.97Å; P28-A30 PolarHBondContact O-N 3.01Å; A30-V75 CarbonylContact C-O 3.56Å; A30-V75 WeakPolarHBondContact CA-O 3.28Å; A30-Q76 HydrophobicContact CB-CB 4.08Å; A30-Q76 HydrophobicContact CB-CG 4.19Å
31	C	96.6	Very high	95	Very high	4 Å²	4	64.7 Å²	64.7	3%	0.027	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146.8	177.9	-71	0	0	0	0	111.1	F33 R74 V75 P83 Q84	C31-F33 HydrophobicContact CB-CD2 4.45Å; C31-F33 HydrophobicContact CB-CE2 3.74Å; C31-F33 HydrophobicContact CB-CZ 3.97Å; C31-R74 WeakPolarHBondContact O-CA 3.45Å; C31-V75 PolarHBondContact N-O 3.29Å; C31-V75 PolarHBondContact O-N 2.9Å; C31-P83 HydrophobicContact CB-CB 3.87Å; C31-P83 HydrophobicContact CB-CG 4.43Å; C31-Q84 PolarHBondContact SG-NE2 2.77Å
32	L	97	Very high	94.9	Very high	46 Å²	46	63.4 Å²	63.4	24%	0.241	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	117.3	171.9	-65.1	120.6	0	0	0	108.8	N22 D24 I72 I73 R74	N22-L32 HydrophobicContact CB-CB 4.46Å; N22-L32 PolarHBondContact N-O 2.78Å; N22-L32 PolarHBondContact O-N 2.77Å; D24-L32 HydrophobicContact CB-CD1 3.98Å; L32-I72 HydrophobicContact CB-CG2 4.29Å; L32-I72 HydrophobicContact CD2-CG2 3.73Å; L32-I73 CarbonylContact C-O 3.52Å; L32-I73 WeakPolarHBondContact CA-O 3.42Å; L32-R74 HydrophobicContact CD2-CB 4.38Å; L32-R74 HydrophobicContact CD2-CG 4.48Å; L32-R74 HydrophobicContact CG-CG 4.5Å
33	F	97	Very high	94.9	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.018	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	107.5	174.4	-57.7	-92.8	0	0	0	108.3	I21 C31 I72 I73 V75 Q84 F87	I21-F33 HydrophobicContact CD1-CD1 4.21Å; I21-F33 HydrophobicContact CD1-CE1 3.94Å; I21-F33 HydrophobicContact CG1-CD1 3.81Å; I21-F33 HydrophobicContact CG1-CE1 3.98Å; I21-F33 HydrophobicContact CG2-CD1 4.21Å; I21-F33 HydrophobicContact CG2-CE1 3.95Å; C31-F33 HydrophobicContact CB-CD2 4.45Å; C31-F33 HydrophobicContact CB-CE2 3.74Å; C31-F33 HydrophobicContact CB-CZ 3.97Å; F33-I72 CarbonylContact O-C 3.54Å; F33-I72 WeakPolarHBondContact O-CA 3.39Å; F33-I73 HydrophobicContact CB-CB 4.34Å; F33-I73 PolarHBondContact N-O 2.74Å; F33-I73 PolarHBondContact O-N 3.3Å; F33-V75 HydrophobicContact CD2-CG2 4.01Å; F33-V75 HydrophobicContact CE2-CB 4.1Å; F33-V75 HydrophobicContact CE2-CG2 3.82Å; F33-Q84 HydrophobicContact CE1-CG 4.33Å; F33-Q84 HydrophobicContact CZ-CG 4.25Å; F33-F87 HydrophobicContact CB-CE2 4.47Å; F33-F87 HydrophobicContact CB-CZ 4.49Å; F33-F87 HydrophobicContact CD1-CD1 4.26Å; F33-F87 HydrophobicContact CD1-CE1 4.42Å; F33-F87 HydrophobicContact CD1-CG 4.32Å; F33-F87 HydrophobicContact CD2-CD2 4Å; F33-F87 HydrophobicContact CD2-CE2 4.27Å; F33-F87 HydrophobicContact CD2-CG 4.43Å; F33-F87 HydrophobicContact CE1-CB 4.24Å; F33-F87 HydrophobicContact CE1-CD1 4.24Å; F33-F87 HydrophobicContact CE1-CG 4.12Å; F33-F87 HydrophobicContact CE2-CB 4.25Å; F33-F87 HydrophobicContact CE2-CD2 4.07Å; F33-F87 HydrophobicContact CE2-CG 4.22Å; F33-F87 HydrophobicContact CG-CD2 4.26Å; F33-F87 HydrophobicContact CG-CE2 4.25Å; F33-F87 HydrophobicContact CG-CG 4.48Å; F33-F87 HydrophobicContact CG-CZ 4.47Å; F33-F87 HydrophobicContact CZ-CB 3.89Å; F33-F87 HydrophobicContact CZ-CD2 4.38Å; F33-F87 HydrophobicContact CZ-CG 4.07Å
34	T	97.2	Very high	95.1	Very high	24 Å²	24	54.8 Å²	54.8	15%	0.147	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	119.1	171.5	-57.3	0	0	0	0	108.3	I19 T20 K70 I71 I72	I19-T34 CarbonylContact C-O 3.54Å; I19-T34 WeakPolarHBondContact CA-O 3.41Å; T20-T34 PolarHBondContact N-O 2.83Å; T20-T34 PolarHBondContact O-N 2.87Å; T34-K70 HydrophobicContact CG2-CD 4.19Å; T34-I71 CarbonylContact C-O 3.58Å; T34-I71 WeakPolarHBondContact CA-O 3.21Å; T34-I72 HydrophobicContact CG2-CG1 4.34Å
35	I	97.2	Very high	95.3	Very high	5 Å²	5	57 Å²	57	3%	0.026	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	117.7	178.6	-47.8	176.8	0	0	0	108.1	K18 I19 E38 K70 I71 I73 F87	K18-I35 CarbonylContact O-C 3.59Å; K18-I35 WeakPolarHBondContact O-CA 3.4Å; I19-I35 HydrophobicContact CG1-CG1 4.37Å; I19-I35 HydrophobicContact CG1-CG2 4.23Å; I35-E38 HydrophobicContact CB-CG 4.44Å; I35-E38 HydrophobicContact CG2-CB 4.05Å; I35-E38 HydrophobicContact CG2-CG 3.48Å; I35-E38 VanDerWaalsContact CG2-CG 3.48Å; I35-K70 CarbonylContact O-C 3.57Å; I35-K70 WeakPolarHBondContact O-CA 3.46Å; I35-K70 WeakPolarHBondContact O-CB 3.44Å; I35-I71 HydrophobicContact CB-CD1 4.36Å; I35-I71 HydrophobicContact CB-CG1 3.84Å; I35-I71 HydrophobicContact CD1-CD1 4.22Å; I35-I71 HydrophobicContact CD1-CG1 4.47Å; I35-I71 HydrophobicContact CG1-CG1 4.4Å; I35-I71 PolarHBondContact N-O 3.03Å; I35-I71 PolarHBondContact O-N 2.7Å; I35-I73 HydrophobicContact CD1-CD1 3.76Å; I35-F87 HydrophobicContact CD1-CZ 4.11Å
36	N	96.7	Very high	95.6	Very high	30 Å²	30	50.8 Å²	50.8	16%	0.16	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	149.7	179.4	-73	-35	0	0	0	110.9	L12 K17 K18 E38 K70	L12-N36 HydrophobicContact CD2-CB 3.99Å; K17-N36 PolarHBondContact O-ND2 2.9Å; K18-N36 VanDerWaalsContact CD-O 3.32Å; K18-N36 WeakPolarHBondContact CD-O 3.37Å; K18-N36 WeakPolarHBondContact CE-O 3.48Å; K18-N36 PolarHBondContact NZ-O 2.87Å; K18-N36 PolarHBondContact O-N 2.94Å; N36-E38 VanDerWaalsContact C-N 3.3Å; N36-E38 PolarHBondContact O-N 2.86Å; N36-K70 WeakPolarHBondContact OD1-CB 3.46Å
37	K	95.2	Very high	95.9	Very high	25 Å²	25	45.2 Å²	45.2	11%	0.109	24%	0.242	C	C	.	.	S	Bend	trans	57.3	43.8	177.6	-46.1	-58.7	174.5	165.9	0	112.1	E8 S9 L11 L12 E16 K18 H69	E8-K37 VanDerWaalsContact O-CD 3.27Å; E8-K37 WeakPolarHBondContact O-CD 3.24Å; E8-K37 PolarHBondContact O-NZ 3.16Å; S9-K37 WeakPolarHBondContact O-CA 3.49Å; S9-K37 WeakPolarHBondContact O-CB 3.28Å; L11-K37 WeakPolarHBondContact O-CD 3.41Å; L11-K37 WeakPolarHBondContact O-CE 3.39Å; L11-K37 PolarHBondContact O-NZ 2.79Å; L12-K37 HydrophobicContact CD2-CG 3.94Å; L12-K37 HydrophobicContact CG-CG 3.98Å; E16-K37 VanDerWaalsContact OE2-CE 3.27Å; E16-K37 WeakPolarHBondContact OE2-CE 3.48Å; E16-K37 IonicContact OE2-NZ 3.77Å; K18-K37 PolarHBondContact NZ-O 2.84Å; K18-K37 VanDerWaalsContact NZ-O 3.09Å; K37-H69 VanDerWaalsContact CA-O 3.32Å; K37-H69 WeakPolarHBondContact CA-O 3.32Å; K37-H69 HydrophobicContact CD-CB 4.32Å; K37-H69 PolarHBondContact N-O 2.75Å
38	E	95.5	Very high	96.1	Very high	59 Å²	59	46.1 Å²	46.1	28%	0.276	25%	0.251	S	S	.	.			trans	-142.7	158.6	177.5	-66.5	-59.3	161.5	0	0	109.3	K18 I35 N36 L42 I71	K18-E38 VanDerWaalsContact CE-OE1 3.3Å; K18-E38 WeakPolarHBondContact CE-OE1 3.47Å; K18-E38 IonicContact NZ-OE1 2.68Å; K18-E38 PolarHBondContact NZ-OE1 3.46Å; I35-E38 HydrophobicContact CB-CG 4.44Å; I35-E38 HydrophobicContact CG2-CB 4.05Å; I35-E38 HydrophobicContact CG2-CG 3.48Å; I35-E38 VanDerWaalsContact CG2-CG 3.48Å; N36-E38 VanDerWaalsContact C-N 3.3Å; N36-E38 PolarHBondContact O-N 2.86Å; E38-L42 HydrophobicContact CB-CD2 4.22Å; E38-L42 HydrophobicContact CG-CD2 3.67Å; E38-I71 HydrophobicContact CB-CD1 4.01Å; E38-I71 HydrophobicContact CB-CG1 4.06Å
39	D	95.1	Very high	96.4	Very high	78 Å²	78	41.7 Å²	41.7	42%	0.417	22%	0.221	S	C	.	.			trans	-132.9	-161.9	-171.7	74.5	1.3	0	0	0	113.1	T41 G43 I71	D39-T41 PolarHBondContact O-N 2.62Å; D39-T41 WeakPolarHBondContact OD1-CA 3.2Å; D39-T41 WeakPolarHBondContact OD1-CB 3.44Å; D39-T41 PolarHBondContact OD1-N 2.96Å; D39-T41 PolarHBondContact OD1-OG1 3.44Å; D39-G43 PolarHBondContact O-N 2.9Å; D39-G43 VanDerWaalsContact O-N 3.09Å; D39-I71 WeakPolarHBondContact O-CG2 3.48Å
40	H	96.3	Very high	96.6	Very high	106 Å²	106	39.2 Å²	39.2	49%	0.491	21%	0.207	S	C	.	.	H	α-helix	trans	-60.5	-23.2	179.7	-62.1	-80.7	0	0	0	113.9	N44 Y61 V63	H40-N44 WeakPolarHBondContact O-CB 3.5Å; H40-N44 PolarHBondContact O-N 3.02Å; H40-Y61 HydrophobicContact CB-CE2 4.24Å; H40-Y61 AromaticContact ND1-CE2 3.49Å; H40-Y61 WeakPolarHBondContact ND1-CE2 3.48Å; H40-Y61 AromaticContact ND1-CZ 3.96Å; H40-V63 VanDerWaalsContact CE1-CG2 3.47Å; H40-V63 WeakPolarHBondContact CE1-CG2 3.39Å; H40-V63 WeakPolarHBondContact NE2-CG2 3.45Å
41	T	95.1	Very high	96.6	Very high	93 Å²	93	43.3 Å²	43.3	57%	0.571	23%	0.228	S	C	*	.	H	α-helix	trans	-62.9	-61.1	-180	-48.6	0	0	0	0	109.6	D39 I45	D39-T41 PolarHBondContact O-N 2.62Å; D39-T41 WeakPolarHBondContact OD1-CA 3.2Å; D39-T41 WeakPolarHBondContact OD1-CB 3.44Å; D39-T41 PolarHBondContact OD1-N 2.96Å; D39-T41 PolarHBondContact OD1-OG1 3.44Å; T41-I45 WeakPolarHBondContact O-CG1 3.03Å; T41-I45 PolarHBondContact O-N 3.22Å
42	L	94.9	Very high	96.6	Very high	58 Å²	58	48.8 Å²	48.8	30%	0.304	25%	0.251	S	S	.	.	H	α-helix	trans	-68.5	-42	179.7	-170.8	68.5	0	0	0	111.4	E38 N44 I45 I46	E38-L42 HydrophobicContact CB-CD2 4.22Å; E38-L42 HydrophobicContact CG-CD2 3.67Å; L42-N44 PolarHBondContact O-N 2.73Å; L42-I45 PolarHBondContact O-N 2.85Å; L42-I46 HydrophobicContact CD1-CD1 3.86Å; L42-I46 HydrophobicContact CD1-CG1 4.25Å; L42-I46 HydrophobicContact CD2-CD1 4.19Å; L42-I46 HydrophobicContact CG-CD1 3.68Å; L42-I46 HydrophobicContact CG-CG1 4.35Å; L42-I46 WeakPolarHBondContact O-CG1 3.44Å; L42-I46 PolarHBondContact O-N 3.09Å; L42-I46 VanDerWaalsContact O-N 3.1Å
43	G	96.4	Very high	96.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.4	-42.3	-178.4	0	0	0	0	0	113.4	D39 K47 Y61	D39-G43 PolarHBondContact O-N 2.9Å; D39-G43 VanDerWaalsContact O-N 3.09Å; G43-K47 VanDerWaalsContact O-CB 3.25Å; G43-K47 WeakPolarHBondContact O-CB 3.32Å; G43-K47 PolarHBondContact O-N 2.63Å; G43-K47 VanDerWaalsContact O-N 3.1Å; G43-Y61 VanDerWaalsContact O-CD1 3.28Å; G43-Y61 WeakPolarHBondContact O-CD1 3.35Å
44	N	97.2	Very high	96.5	Very high	72 Å²	72	53.9 Å²	53.9	39%	0.385	29%	0.286	S	S	.	.	H	α-helix	trans	-69.8	-42.6	-179.1	-171.9	58.5	0	0	0	112.7	H40 L42 S48 Y61	H40-N44 WeakPolarHBondContact O-CB 3.5Å; H40-N44 PolarHBondContact O-N 3.02Å; L42-N44 PolarHBondContact O-N 2.73Å; N44-S48 WeakPolarHBondContact O-CB 3.27Å; N44-S48 PolarHBondContact O-N 2.95Å; N44-S48 PolarHBondContact O-OG 3.11Å; N44-Y61 HydrophobicContact CB-CE1 3.81Å; N44-Y61 WeakPolarHBondContact CB-OH 3.16Å
45	I	97	Very high	96.4	Very high	73 Å²	73	56.2 Å²	56.2	37%	0.374	30%	0.295	S	S	.	.	H	α-helix	trans	-67.6	-46.9	-177.4	-62.5	173.3	0	0	0	109.9	T41 L42 K47 S48 Q49 L94	T41-I45 WeakPolarHBondContact O-CG1 3.03Å; T41-I45 PolarHBondContact O-N 3.22Å; L42-I45 PolarHBondContact O-N 2.85Å; I45-K47 PolarHBondContact O-N 2.86Å; I45-S48 PolarHBondContact O-N 3.42Å; I45-S48 VanDerWaalsContact O-N 3.13Å; I45-Q49 PolarHBondContact O-N 3.48Å; I45-L94 HydrophobicContact CG2-CD1 3.43Å; I45-L94 VanDerWaalsContact CG2-CD1 3.43Å; I45-L94 HydrophobicContact CG2-CD2 3.49Å; I45-L94 VanDerWaalsContact CG2-CD2 3.49Å; I45-L94 HydrophobicContact CG2-CG 4.07Å
46	I	97.2	Very high	96.4	Very high	8 Å²	8	56.6 Å²	56.6	4%	0.041	30%	0.298	C	S	.	.	H	α-helix	trans	-62	-44.1	178	-66.1	176.8	0	0	0	111.1	L42 S48 Q49 L50 I73 F87 L94	L42-I46 HydrophobicContact CD1-CD1 3.86Å; L42-I46 HydrophobicContact CD1-CG1 4.25Å; L42-I46 HydrophobicContact CD2-CD1 4.19Å; L42-I46 HydrophobicContact CG-CD1 3.68Å; L42-I46 HydrophobicContact CG-CG1 4.35Å; L42-I46 WeakPolarHBondContact O-CG1 3.44Å; L42-I46 PolarHBondContact O-N 3.09Å; L42-I46 VanDerWaalsContact O-N 3.1Å; I46-S48 VanDerWaalsContact C-N 3.29Å; I46-S48 PolarHBondContact O-N 3.29Å; I46-Q49 PolarHBondContact O-N 3.33Å; I46-L50 HydrophobicContact CG2-CD1 3.76Å; I46-L50 HydrophobicContact CG2-CG 4.29Å; I46-L50 WeakPolarHBondContact O-CB 3.33Å; I46-L50 WeakPolarHBondContact O-CG 3.26Å; I46-L50 PolarHBondContact O-N 3.05Å; I46-I73 HydrophobicContact CB-CD1 4.19Å; I46-I73 HydrophobicContact CD1-CD1 4.24Å; I46-I73 HydrophobicContact CG2-CD1 3.95Å; I46-F87 HydrophobicContact CD1-CZ 4.21Å; I46-F87 HydrophobicContact CG2-CD2 4.26Å; I46-F87 HydrophobicContact CG2-CE2 3.57Å; I46-F87 HydrophobicContact CG2-CZ 4.04Å; I46-L94 HydrophobicContact CG1-CD2 4.47Å
47	K	97.3	Very high	96.4	Very high	66 Å²	66	60.1 Å²	60.1	29%	0.287	32%	0.316	S	S	.	.	H	α-helix	trans	-55.5	-47	174	176.2	-141.8	164.8	-175.8	0	110.9	G43 I45 Q49 L50 L51 Y61	G43-K47 VanDerWaalsContact O-CB 3.25Å; G43-K47 WeakPolarHBondContact O-CB 3.32Å; G43-K47 PolarHBondContact O-N 2.63Å; G43-K47 VanDerWaalsContact O-N 3.1Å; I45-K47 PolarHBondContact O-N 2.86Å; K47-Q49 VanDerWaalsContact C-N 3.32Å; K47-Q49 PolarHBondContact O-N 2.87Å; K47-L50 PolarHBondContact O-N 2.76Å; K47-L51 HydrophobicContact CD-CD1 4.49Å; K47-L51 HydrophobicContact CG-CD1 4.27Å; K47-L51 WeakPolarHBondContact O-CG 3.32Å; K47-L51 PolarHBondContact O-N 3.13Å; K47-L51 VanDerWaalsContact O-N 3.11Å; K47-Y61 HydrophobicContact CB-CD1 3.83Å; K47-Y61 HydrophobicContact CD-CD1 3.87Å; K47-Y61 HydrophobicContact CD-CE1 4.11Å; K47-Y61 HydrophobicContact CG-CD1 4.22Å
48	S	97.5	Very high	96.5	Very high	55 Å²	55	63.2 Å²	63.2	39%	0.385	33%	0.329	S	S	.	.	H	α-helix	trans	-64.3	-38.6	-178.3	-57.5	0	0	0	0	111.6	N44 I45 I46 L51	N44-S48 WeakPolarHBondContact O-CB 3.27Å; N44-S48 PolarHBondContact O-N 2.95Å; N44-S48 PolarHBondContact O-OG 3.11Å; I45-S48 PolarHBondContact O-N 3.42Å; I45-S48 VanDerWaalsContact O-N 3.13Å; I46-S48 VanDerWaalsContact C-N 3.29Å; I46-S48 PolarHBondContact O-N 3.29Å; S48-L51 PolarHBondContact O-N 2.94Å
49	Q	97.4	Very high	96.6	Very high	13 Å²	13	60.7 Å²	60.7	6%	0.061	32%	0.319	C	S	.	.	H	α-helix	trans	-68	-44.3	176.4	-165.1	68	12.5	0	0	112.2	I45 I46 K47 L51 K52 A90 L94 E97	I45-Q49 PolarHBondContact O-N 3.48Å; I46-Q49 PolarHBondContact O-N 3.33Å; K47-Q49 VanDerWaalsContact C-N 3.32Å; K47-Q49 PolarHBondContact O-N 2.87Å; Q49-L51 PolarHBondContact O-N 3.47Å; Q49-K52 WeakPolarHBondContact O-CB 3.36Å; Q49-K52 PolarHBondContact O-N 3.44Å; Q49-A90 HydrophobicContact CB-CB 4.27Å; Q49-A90 HydrophobicContact CG-CB 3.95Å; Q49-A90 VanDerWaalsContact CG-O 3.31Å; Q49-A90 WeakPolarHBondContact CG-O 3.44Å; Q49-L94 HydrophobicContact CG-CB 4.17Å; Q49-E97 PolarHBondContact NE2-OE1 3.47Å; Q49-E97 PolarHBondContact OE1-OE1 3.46Å
50	L	97.8	Very high	96.7	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-58.5	-36.7	176.6	-76.9	164.3	0	0	0	112.5	I46 K47 K52 D53 V56 A59 I73 V75 A86 F87 A90	I46-L50 HydrophobicContact CG2-CD1 3.76Å; I46-L50 HydrophobicContact CG2-CG 4.29Å; I46-L50 WeakPolarHBondContact O-CB 3.33Å; I46-L50 WeakPolarHBondContact O-CG 3.26Å; I46-L50 PolarHBondContact O-N 3.05Å; K47-L50 PolarHBondContact O-N 2.76Å; L50-K52 PolarHBondContact O-N 3.38Å; L50-D53 PolarHBondContact O-N 3.1Å; L50-V56 HydrophobicContact CB-CG1 4.5Å; L50-V56 HydrophobicContact CD2-CG2 4.41Å; L50-V56 WeakPolarHBondContact O-CB 3.35Å; L50-V56 WeakPolarHBondContact O-CG2 3.25Å; L50-A59 HydrophobicContact CB-CB 3.6Å; L50-A59 HydrophobicContact CD1-CB 4.09Å; L50-A59 HydrophobicContact CG-CB 4.49Å; L50-I73 HydrophobicContact CD1-CG2 4.19Å; L50-V75 HydrophobicContact CD1-CG2 3.65Å; L50-V75 HydrophobicContact CD2-CG1 4.26Å; L50-V75 HydrophobicContact CD2-CG2 4.45Å; L50-A86 HydrophobicContact CD2-CB 4.26Å; L50-A86 WeakPolarHBondContact CD2-O 3.08Å; L50-F87 HydrophobicContact CD1-CD2 4.1Å; L50-F87 HydrophobicContact CD1-CE2 4.39Å; L50-A90 HydrophobicContact CD2-CB 3.71Å; L50-A90 HydrophobicContact CG-CB 3.89Å
51	L	97.2	Very high	96.7	Very high	90 Å²	90	55.4 Å²	55.4	47%	0.471	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-10.7	178.2	-70.4	174.7	0	0	0	114.1	K47 S48 Q49 D53 A59	K47-L51 HydrophobicContact CD-CD1 4.49Å; K47-L51 HydrophobicContact CG-CD1 4.27Å; K47-L51 WeakPolarHBondContact O-CG 3.32Å; K47-L51 PolarHBondContact O-N 3.13Å; K47-L51 VanDerWaalsContact O-N 3.11Å; S48-L51 PolarHBondContact O-N 2.94Å; Q49-L51 PolarHBondContact O-N 3.47Å; L51-D53 VanDerWaalsContact C-N 3.31Å; L51-A59 HydrophobicContact CD2-CB 3.94Å; L51-A59 HydrophobicContact CG-CB 4.08Å
52	K	96.6	Very high	96.8	Very high	118 Å²	118	57 Å²	57	51%	0.513	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-23.3	172.5	-65	174.7	178.1	170.7	0	111.9	Q49 L50 E97	Q49-K52 WeakPolarHBondContact O-CB 3.36Å; Q49-K52 PolarHBondContact O-N 3.44Å; L50-K52 PolarHBondContact O-N 3.38Å; K52-E97 IonicContact NZ-OE1 2.81Å; K52-E97 PolarHBondContact NZ-OE1 2.99Å; K52-E97 IonicContact NZ-OE2 2.81Å; K52-E97 PolarHBondContact NZ-OE2 2.89Å
53	D	95.6	Very high	96.9	Very high	39 Å²	39	56.2 Å²	56.2	21%	0.209	29%	0.291	C	S	.	.	S	Bend	trans	-80.8	119.8	-178.9	-176.2	-14.3	0	0	0	110.7	L50 L51 Q55 V56 Y81	L50-D53 PolarHBondContact O-N 3.1Å; L51-D53 VanDerWaalsContact C-N 3.31Å; D53-Q55 PolarHBondContact O-N 2.95Å; D53-Q55 WeakPolarHBondContact OD1-CB 3.46Å; D53-Q55 PolarHBondContact OD1-N 3.09Å; D53-V56 HydrophobicContact CB-CB 4.36Å; D53-V56 HydrophobicContact CB-CG2 3.82Å; D53-V56 PolarHBondContact O-N 3.4Å; D53-V56 VanDerWaalsContact O-N 3.09Å; D53-Y81 VanDerWaalsContact OD2-CE1 3.28Å; D53-Y81 WeakPolarHBondContact OD2-CE1 3.49Å
54	P	95.5	Very high	96.9	Very high	119 Å²	119	58.8 Å²	58.8	77%	0.773	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.4	179.3	27.7	-36	0	0	0	114.1	V56	P54-V56 VanDerWaalsContact C-N 3.3Å
55	Q	95.9	Very high	96.7	Very high	72 Å²	72	59.5 Å²	59.5	34%	0.336	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-8.6	176.5	-60.4	-174.9	-79.5	0	0	112.6	D53 T77 T78 D80 Y81	D53-Q55 PolarHBondContact O-N 2.95Å; D53-Q55 WeakPolarHBondContact OD1-CB 3.46Å; D53-Q55 PolarHBondContact OD1-N 3.09Å; Q55-T77 CarbonylContact O-C 3.58Å; Q55-T77 VanDerWaalsContact O-CA 3.27Å; Q55-T77 WeakPolarHBondContact O-CA 3.48Å; Q55-T78 PolarHBondContact O-N 3.27Å; Q55-D80 PolarHBondContact NE2-OD2 2.95Å; Q55-Y81 HydrophobicContact CB-CD1 3.58Å; Q55-Y81 HydrophobicContact CB-CE1 4.2Å; Q55-Y81 HydrophobicContact CB-CG 4.26Å
56	V	97.3	Very high	96.5	Very high	14 Å²	14	61.3 Å²	61.3	9%	0.085	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	109.3	173.9	177.1	0	0	0	0	109.7	L50 D53 P54 A59 V75 T77 A86	L50-V56 HydrophobicContact CB-CG1 4.5Å; L50-V56 HydrophobicContact CD2-CG2 4.41Å; L50-V56 WeakPolarHBondContact O-CB 3.35Å; L50-V56 WeakPolarHBondContact O-CG2 3.25Å; D53-V56 HydrophobicContact CB-CB 4.36Å; D53-V56 HydrophobicContact CB-CG2 3.82Å; D53-V56 PolarHBondContact O-N 3.4Å; D53-V56 VanDerWaalsContact O-N 3.09Å; P54-V56 VanDerWaalsContact C-N 3.3Å; V56-A59 HydrophobicContact CG1-CB 3.97Å; V56-V75 HydrophobicContact CG1-CG1 4.33Å; V56-T77 HydrophobicContact CG2-CG2 3.95Å; V56-A86 HydrophobicContact CG2-CB 3.92Å
57	L	96.2	Very high	96.2	Very high	104 Å²	104	66.7 Å²	66.7	55%	0.545	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-33.8	179.3	-60.3	178	0	0	0	112.4	Q76 T78	L57-Q76 HydrophobicContact CB-CG 4.37Å; L57-Q76 PolarHBondContact N-O 3.26Å; L57-T78 HydrophobicContact CD1-CG2 4.45Å; L57-T78 HydrophobicContact CD2-CG2 3.93Å; L57-T78 HydrophobicContact CG-CG2 4.15Å
58	F	96.8	Very high	95.9	Very high	89 Å²	89	67.7 Å²	67.7	39%	0.39	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	132.5	178.4	179.2	-89.4	0	0	0	110.7	R74 V75 Q76	F58-R74 HydrophobicContact CD1-CG 4.36Å; F58-R74 HydrophobicContact CE1-CB 4.24Å; F58-R74 HydrophobicContact CE1-CG 4.22Å; F58-V75 CarbonylContact O-C 3.54Å; F58-V75 WeakPolarHBondContact O-CA 3.11Å; F58-Q76 HydrophobicContact CB-CB 4.01Å; F58-Q76 PolarHBondContact N-O 2.89Å; F58-Q76 VanDerWaalsContact N-O 3.12Å; F58-Q76 PolarHBondContact O-N 3.22Å
59	A	97.5	Very high	95.6	Very high	6 Å²	6	68.4 Å²	68.4	5%	0.05	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	130.2	165.8	0	0	0	0	0	110.5	L50 L51 V56 R74	L50-A59 HydrophobicContact CB-CB 3.6Å; L50-A59 HydrophobicContact CD1-CB 4.09Å; L50-A59 HydrophobicContact CG-CB 4.49Å; L51-A59 HydrophobicContact CD2-CB 3.94Å; L51-A59 HydrophobicContact CG-CB 4.08Å; V56-A59 HydrophobicContact CG1-CB 3.97Å; A59-R74 WeakPolarHBondContact CA-O 3.34Å
60	G	97.7	Very high	95.6	Very high	16 Å²	16	70.6 Å²	70.6	17%	0.165	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	150.5	178.8	0	0	0	0	0	110.5	I73 R74	G60-I73 CarbonylContact O-C 3.53Å; G60-I73 WeakPolarHBondContact O-CA 3.06Å; G60-R74 PolarHBondContact N-O 3.2Å; G60-R74 PolarHBondContact O-N 3.09Å
61	Y	97.8	Very high	95.5	Very high	58 Å²	58	70.6 Å²	70.6	23%	0.227	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	155.8	172	80.5	-78.7	0	0	0	110.3	H40 G43 N44 K47 I72	H40-Y61 HydrophobicContact CB-CE2 4.24Å; H40-Y61 AromaticContact ND1-CE2 3.49Å; H40-Y61 WeakPolarHBondContact ND1-CE2 3.48Å; H40-Y61 AromaticContact ND1-CZ 3.96Å; G43-Y61 VanDerWaalsContact O-CD1 3.28Å; G43-Y61 WeakPolarHBondContact O-CD1 3.35Å; N44-Y61 HydrophobicContact CB-CE1 3.81Å; N44-Y61 WeakPolarHBondContact CB-OH 3.16Å; K47-Y61 HydrophobicContact CB-CD1 3.83Å; K47-Y61 HydrophobicContact CD-CD1 3.87Å; K47-Y61 HydrophobicContact CD-CE1 4.11Å; K47-Y61 HydrophobicContact CG-CD1 4.22Å; Y61-I72 CarbonylContact C-O 3.59Å; Y61-I72 VanDerWaalsContact CA-O 3.24Å; Y61-I72 WeakPolarHBondContact CA-O 3.16Å
62	K	97.1	Very high	95.6	Very high	127 Å²	127	67.7 Å²	67.7	55%	0.552	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145	148.5	170.1	64.4	178	-176.5	174.7	0	111	I71 I72	K62-I71 WeakPolarHBondContact O-CA 2.98Å; K62-I72 HydrophobicContact CG-CB 4.29Å; K62-I72 PolarHBondContact N-O 3.47Å; K62-I72 PolarHBondContact O-N 3.02Å
63	V	96.8	Very high	95.6	Very high	41 Å²	41	62.1 Å²	62.1	25%	0.248	33%	0.325	C	S	.	.			trans	-87.8	118.7	160.2	173.3	0	0	0	0	106.4	H40 H65 I71	H40-V63 VanDerWaalsContact CE1-CG2 3.47Å; H40-V63 WeakPolarHBondContact CE1-CG2 3.39Å; H40-V63 WeakPolarHBondContact NE2-CG2 3.45Å; V63-H65 VanDerWaalsContact C-N 3.33Å; V63-H65 VanDerWaalsContact CG1-O 3.29Å; V63-H65 WeakPolarHBondContact CG1-O 3.38Å; V63-I71 HydrophobicContact CG2-CG2 3.73Å
64	P	95.1	Very high	95.7	Very high	54 Å²	54	64 Å²	64	35%	0.351	33%	0.329	S	S	.	.	S	Bend	trans	-67.1	-35.5	-176.7	25.8	-30.4	0	0	0	112.2	K70 I72	P64-K70 WeakPolarHBondContact CD-O 3.32Å; P64-K70 HydrophobicContact CG-CD 4.29Å; P64-K70 VanDerWaalsContact CG-CE 3.46Å; P64-K70 HydrophobicContact CG-CG 3.79Å; P64-I72 HydrophobicContact CB-CD1 4.28Å; P64-I72 HydrophobicContact CG-CD1 4.28Å
65	H	94.4	Very high	95.8	Very high	87 Å²	87	58.3 Å²	58.3	40%	0.403	29%	0.292	S	S	.	.			trans	-152.3	139	177.2	-171.7	-93.9	0	0	0	110.7	V63 L67 E68	V63-H65 VanDerWaalsContact C-N 3.33Å; V63-H65 VanDerWaalsContact CG1-O 3.29Å; V63-H65 WeakPolarHBondContact CG1-O 3.38Å; H65-L67 VanDerWaalsContact C-N 3.27Å; H65-L67 PolarHBondContact ND1-N 2.81Å; H65-L67 VanDerWaalsContact ND1-N 3.16Å; H65-L67 PolarHBondContact O-N 2.81Å; H65-E68 HydrophobicContact CB-CB 4.2Å; H65-E68 HydrophobicContact CB-CG 4.04Å; H65-E68 PolarHBondContact O-N 3.44Å
66	P	91.7	Very high	95.8	Very high	110 Å²	110	57 Å²	57	71%	0.714	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-29.4	-176.5	-26.6	35.4	0	0	0	115.6
67	L	90.3	Very high	95.8	Very high	121 Å²	121	56.5 Å²	56.5	63%	0.634	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-5.5	176.7	-58.7	179.3	0	0	0	113.4	H65	H65-L67 VanDerWaalsContact C-N 3.27Å; H65-L67 PolarHBondContact ND1-N 2.81Å; H65-L67 VanDerWaalsContact ND1-N 3.16Å; H65-L67 PolarHBondContact O-N 2.81Å
68	E	90.9	Very high	95.8	Very high	87 Å²	87	53 Å²	53	41%	0.407	27%	0.266	S	S	.	.	S	Bend	trans	-102.1	109.4	174.9	-67.3	-176	-176.7	0	0	108.9	H65 K70	H65-E68 HydrophobicContact CB-CB 4.2Å; H65-E68 HydrophobicContact CB-CG 4.04Å; H65-E68 PolarHBondContact O-N 3.44Å; E68-K70 HydrophobicContact CB-CG 4.48Å; E68-K70 PolarHBondContact O-N 2.84Å; E68-K70 WeakPolarHBondContact OE2-CE 3.27Å; E68-K70 IonicContact OE2-NZ 2.66Å; E68-K70 PolarHBondContact OE2-NZ 2.88Å
69	H	93.2	Very high	95.6	Very high	71 Å²	71	54.7 Å²	54.7	33%	0.329	29%	0.286	S	S	.	.			trans	-74.1	73.7	177	-60	-70.8	0	0	0	110.7	E8 S9 K37	E8-H69 PolarHBondContact O-CD2 3.43Å; S9-H69 VanDerWaalsContact CA-CD2 3.44Å; S9-H69 WeakPolarHBondContact CA-CD2 3.27Å; K37-H69 VanDerWaalsContact CA-O 3.32Å; K37-H69 WeakPolarHBondContact CA-O 3.32Å; K37-H69 HydrophobicContact CD-CB 4.32Å; K37-H69 PolarHBondContact N-O 2.75Å
70	K	95.6	Very high	95.4	Very high	59 Å²	59	60.2 Å²	60.2	26%	0.257	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	152	170.9	70.8	-170	179.8	-150.9	0	110.2	T34 I35 N36 P64 E68	T34-K70 HydrophobicContact CG2-CD 4.19Å; I35-K70 CarbonylContact O-C 3.57Å; I35-K70 WeakPolarHBondContact O-CA 3.46Å; I35-K70 WeakPolarHBondContact O-CB 3.44Å; N36-K70 WeakPolarHBondContact OD1-CB 3.46Å; P64-K70 WeakPolarHBondContact CD-O 3.32Å; P64-K70 HydrophobicContact CG-CD 4.29Å; P64-K70 VanDerWaalsContact CG-CE 3.46Å; P64-K70 HydrophobicContact CG-CG 3.79Å; E68-K70 HydrophobicContact CB-CG 4.48Å; E68-K70 PolarHBondContact O-N 2.84Å; E68-K70 WeakPolarHBondContact OE2-CE 3.27Å; E68-K70 IonicContact OE2-NZ 2.66Å; E68-K70 PolarHBondContact OE2-NZ 2.88Å
71	I	97.1	Very high	95.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	151.5	171.1	55.4	174.9	0	0	0	110	T34 I35 E38 D39 K62 V63 I73	T34-I71 CarbonylContact C-O 3.58Å; T34-I71 WeakPolarHBondContact CA-O 3.21Å; I35-I71 HydrophobicContact CB-CD1 4.36Å; I35-I71 HydrophobicContact CB-CG1 3.84Å; I35-I71 HydrophobicContact CD1-CD1 4.22Å; I35-I71 HydrophobicContact CD1-CG1 4.47Å; I35-I71 HydrophobicContact CG1-CG1 4.4Å; I35-I71 PolarHBondContact N-O 3.03Å; I35-I71 PolarHBondContact O-N 2.7Å; E38-I71 HydrophobicContact CB-CD1 4.01Å; E38-I71 HydrophobicContact CB-CG1 4.06Å; D39-I71 WeakPolarHBondContact O-CG2 3.48Å; K62-I71 WeakPolarHBondContact O-CA 2.98Å; V63-I71 HydrophobicContact CG2-CG2 3.73Å; I71-I73 HydrophobicContact CD1-CD1 4.2Å; I71-I73 HydrophobicContact CD1-CG1 4.35Å
72	I	97.7	Very high	95.2	Very high	30 Å²	30	59.1 Å²	59.1	15%	0.154	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	115.3	172.6	-56.6	173.7	0	0	0	107.2	L32 F33 T34 Y61 K62 P64	L32-I72 HydrophobicContact CB-CG2 4.29Å; L32-I72 HydrophobicContact CD2-CG2 3.73Å; F33-I72 CarbonylContact O-C 3.54Å; F33-I72 WeakPolarHBondContact O-CA 3.39Å; T34-I72 HydrophobicContact CG2-CG1 4.34Å; Y61-I72 CarbonylContact C-O 3.59Å; Y61-I72 VanDerWaalsContact CA-O 3.24Å; Y61-I72 WeakPolarHBondContact CA-O 3.16Å; K62-I72 HydrophobicContact CG-CB 4.29Å; K62-I72 PolarHBondContact N-O 3.47Å; K62-I72 PolarHBondContact O-N 3.02Å; P64-I72 HydrophobicContact CB-CD1 4.28Å; P64-I72 HydrophobicContact CG-CD1 4.28Å
73	I	97.7	Very high	95.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	124.5	174.8	-53	177.5	0	0	0	107.9	L32 F33 I35 I46 L50 G60 I71 V75 F87	L32-I73 CarbonylContact C-O 3.52Å; L32-I73 WeakPolarHBondContact CA-O 3.42Å; F33-I73 HydrophobicContact CB-CB 4.34Å; F33-I73 PolarHBondContact N-O 2.74Å; F33-I73 PolarHBondContact O-N 3.3Å; I35-I73 HydrophobicContact CD1-CD1 3.76Å; I46-I73 HydrophobicContact CB-CD1 4.19Å; I46-I73 HydrophobicContact CD1-CD1 4.24Å; I46-I73 HydrophobicContact CG2-CD1 3.95Å; L50-I73 HydrophobicContact CD1-CG2 4.19Å; G60-I73 CarbonylContact O-C 3.53Å; G60-I73 WeakPolarHBondContact O-CA 3.06Å; I71-I73 HydrophobicContact CD1-CD1 4.2Å; I71-I73 HydrophobicContact CD1-CG1 4.35Å; I73-V75 HydrophobicContact CG2-CG2 3.98Å; I73-F87 HydrophobicContact CB-CE2 4.42Å; I73-F87 HydrophobicContact CD1-CE2 3.85Å; I73-F87 HydrophobicContact CD1-CZ 4.06Å; I73-F87 HydrophobicContact CG2-CE2 4.18Å
74	R	97	Very high	95.1	Very high	78 Å²	78	53.9 Å²	53.9	29%	0.294	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	127.2	173.5	-174.9	-177.7	-167.9	-158.9	4.2	108.6	D24 C31 L32 F58 A59 G60	D24-R74 IonicContact OD2-CZ 3.43Å; D24-R74 IonicContact OD2-NE 3.31Å; D24-R74 PolarHBondContact OD2-NE 3.32Å; D24-R74 IonicContact OD2-NH2 2.76Å; D24-R74 PolarHBondContact OD2-NH2 2.81Å; C31-R74 WeakPolarHBondContact O-CA 3.45Å; L32-R74 HydrophobicContact CD2-CB 4.38Å; L32-R74 HydrophobicContact CD2-CG 4.48Å; L32-R74 HydrophobicContact CG-CG 4.5Å; F58-R74 HydrophobicContact CD1-CG 4.36Å; F58-R74 HydrophobicContact CE1-CB 4.24Å; F58-R74 HydrophobicContact CE1-CG 4.22Å; A59-R74 WeakPolarHBondContact CA-O 3.34Å; G60-R74 PolarHBondContact N-O 3.2Å; G60-R74 PolarHBondContact O-N 3.09Å
75	V	97.5	Very high	95.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	134.7	177.7	-172.3	0	0	0	0	108.6	A30 C31 F33 L50 V56 F58 I73 T77 P83 A86 F87	A30-V75 CarbonylContact C-O 3.56Å; A30-V75 WeakPolarHBondContact CA-O 3.28Å; C31-V75 PolarHBondContact N-O 3.29Å; C31-V75 PolarHBondContact O-N 2.9Å; F33-V75 HydrophobicContact CD2-CG2 4.01Å; F33-V75 HydrophobicContact CE2-CB 4.1Å; F33-V75 HydrophobicContact CE2-CG2 3.82Å; L50-V75 HydrophobicContact CD1-CG2 3.65Å; L50-V75 HydrophobicContact CD2-CG1 4.26Å; L50-V75 HydrophobicContact CD2-CG2 4.45Å; V56-V75 HydrophobicContact CG1-CG1 4.33Å; F58-V75 CarbonylContact O-C 3.54Å; F58-V75 WeakPolarHBondContact O-CA 3.11Å; I73-V75 HydrophobicContact CG2-CG2 3.98Å; V75-T77 HydrophobicContact CG1-CG2 4.19Å; V75-P83 HydrophobicContact CB-CB 4.34Å; V75-P83 HydrophobicContact CG1-CB 4.29Å; V75-A86 HydrophobicContact CG1-CB 4.41Å; V75-F87 HydrophobicContact CG2-CD2 4.2Å
76	Q	97.2	Very high	95.2	Very high	46 Å²	46	52 Å²	52	22%	0.215	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	129.5	171.7	-177.1	-174.9	-6.2	0	0	108.2	V27 N29 A30 L57 F58	V27-Q76 HydrophobicContact CG1-CG 4.18Å; N29-Q76 WeakPolarHBondContact O-CA 3.49Å; A30-Q76 HydrophobicContact CB-CB 4.08Å; A30-Q76 HydrophobicContact CB-CG 4.19Å; L57-Q76 HydrophobicContact CB-CG 4.37Å; L57-Q76 PolarHBondContact N-O 3.26Å; F58-Q76 HydrophobicContact CB-CB 4.01Å; F58-Q76 PolarHBondContact N-O 2.89Å; F58-Q76 VanDerWaalsContact N-O 3.12Å; F58-Q76 PolarHBondContact O-N 3.22Å
77	T	97.4	Very high	95.4	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	168	-177.5	46	0	0	0	0	111.2	N29 Q55 V56 V75 Y81 P83 A86	N29-T77 PolarHBondContact ND2-O 3.11Å; N29-T77 PolarHBondContact ND2-OG1 3.27Å; N29-T77 PolarHBondContact O-N 3.09Å; Q55-T77 CarbonylContact O-C 3.58Å; Q55-T77 VanDerWaalsContact O-CA 3.27Å; Q55-T77 WeakPolarHBondContact O-CA 3.48Å; V56-T77 HydrophobicContact CG2-CG2 3.95Å; V75-T77 HydrophobicContact CG1-CG2 4.19Å; T77-Y81 VanDerWaalsContact CB-O 3.32Å; T77-Y81 WeakPolarHBondContact CB-O 3.47Å; T77-Y81 HydrophobicContact CG2-CD1 3.83Å; T77-Y81 HydrophobicContact CG2-CE1 4.37Å; T77-Y81 PolarHBondContact OG1-O 3.04Å; T77-P83 VanDerWaalsContact OG1-CD 3.26Å; T77-P83 WeakPolarHBondContact OG1-CD 3.4Å; T77-P83 WeakPolarHBondContact OG1-CG 3.34Å; T77-A86 HydrophobicContact CG2-CB 3.58Å
78	T	95.8	Very high	95.7	Very high	30 Å²	30	45.7 Å²	45.7	18%	0.184	24%	0.236	C	C	.	.			trans	-62.1	148.9	170.6	57.5	0	0	0	0	111.2	N29 Q55 L57 D80 Y81	N29-T78 PolarHBondContact ND2-O 2.76Å; Q55-T78 PolarHBondContact O-N 3.27Å; L57-T78 HydrophobicContact CD1-CG2 4.45Å; L57-T78 HydrophobicContact CD2-CG2 3.93Å; L57-T78 HydrophobicContact CG-CG2 4.15Å; T78-D80 WeakPolarHBondContact CB-OD1 3.23Å; T78-D80 PolarHBondContact O-N 3.39Å; T78-D80 PolarHBondContact OG1-OD1 3.2Å; T78-Y81 PolarHBondContact O-N 2.97Å
79	P	93	Very high	96	Very high	125 Å²	125	45 Å²	45	81%	0.812	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-22	-171.5	-26.1	35.1	0	0	0	116.3	Y81	P79-Y81 VanDerWaalsContact C-N 3.33Å
80	D	93.5	Very high	96.2	Very high	122 Å²	122	42 Å²	42	65%	0.652	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-9.7	176.7	58.9	-49.7	0	0	0	113.6	Q55 T78	Q55-D80 PolarHBondContact NE2-OD2 2.95Å; T78-D80 WeakPolarHBondContact CB-OD1 3.23Å; T78-D80 PolarHBondContact O-N 3.39Å; T78-D80 PolarHBondContact OG1-OD1 3.2Å
81	Y	94.4	Very high	96.2	Very high	17 Å²	17	41.8 Å²	41.8	7%	0.067	22%	0.224	C	C	.	.	S	Bend	trans	-128.3	128.2	-174.8	-171.7	-138.5	0	0	0	112.1	N29 D53 Q55 T77 T78 P79 E85 A86 N89	N29-Y81 PolarHBondContact ND2-O 3.14Å; D53-Y81 VanDerWaalsContact OD2-CE1 3.28Å; D53-Y81 WeakPolarHBondContact OD2-CE1 3.49Å; Q55-Y81 HydrophobicContact CB-CD1 3.58Å; Q55-Y81 HydrophobicContact CB-CE1 4.2Å; Q55-Y81 HydrophobicContact CB-CG 4.26Å; T77-Y81 VanDerWaalsContact CB-O 3.32Å; T77-Y81 WeakPolarHBondContact CB-O 3.47Å; T77-Y81 HydrophobicContact CG2-CD1 3.83Å; T77-Y81 HydrophobicContact CG2-CE1 4.37Å; T77-Y81 PolarHBondContact OG1-O 3.04Å; T78-Y81 PolarHBondContact O-N 2.97Å; P79-Y81 VanDerWaalsContact C-N 3.33Å; Y81-E85 HydrophobicContact CD2-CB 4.21Å; Y81-E85 HydrophobicContact CE2-CB 3.57Å; Y81-E85 PolarHBondContact OH-O 2.91Å; Y81-A86 HydrophobicContact CD1-CB 4.05Å; Y81-A86 HydrophobicContact CE1-CB 3.36Å; Y81-A86 VanDerWaalsContact CZ-CA 3.46Å; Y81-A86 VanDerWaalsContact CZ-N 3.35Å; Y81-A86 WeakPolarHBondContact OH-CA 3.37Å; Y81-A86 PolarHBondContact OH-N 3.4Å; Y81-N89 PolarHBondContact OH-ND2 2.96Å
82	S	95	Very high	96.3	Very high	35 Å²	35	45.3 Å²	45.3	25%	0.245	25%	0.245	C	C	.	.			trans	-77.1	133.9	-176.7	175.8	0	0	0	0	111.5	Q84 E85 A86	S82-Q84 PolarHBondContact O-N 3.2Å; S82-Q84 VanDerWaalsContact O-N 3.14Å; S82-Q84 PolarHBondContact OG-N 3.31Å; S82-Q84 PolarHBondContact OG-OE1 2.83Å; S82-E85 WeakPolarHBondContact CB-OE2 3.4Å; S82-E85 WeakPolarHBondContact O-CB 3.34Å; S82-E85 PolarHBondContact O-N 2.98Å; S82-A86 PolarHBondContact O-N 3.33Å
83	P	96.2	Very high	96.2	Very high	2 Å²	2	48 Å²	48	1%	0.013	26%	0.26	C	S	.	.	H	α-helix	trans	-57.5	-30.1	174.5	-25.6	33.6	0	0	0	113.2	N29 C31 V75 T77 F87	N29-P83 WeakPolarHBondContact O-CG 3.36Å; N29-P83 WeakPolarHBondContact OD1-CD 3.4Å; C31-P83 HydrophobicContact CB-CB 3.87Å; C31-P83 HydrophobicContact CB-CG 4.43Å; V75-P83 HydrophobicContact CB-CB 4.34Å; V75-P83 HydrophobicContact CG1-CB 4.29Å; T77-P83 VanDerWaalsContact OG1-CD 3.26Å; T77-P83 WeakPolarHBondContact OG1-CD 3.4Å; T77-P83 WeakPolarHBondContact OG1-CG 3.34Å; P83-F87 WeakPolarHBondContact O-CB 3.48Å; P83-F87 PolarHBondContact O-N 3.2Å
84	Q	95.7	Very high	96.2	Very high	55 Å²	55	49 Å²	49	26%	0.257	27%	0.265	S	S	.	.	H	α-helix	trans	-68	-41.8	174.8	-69.3	81	-7.1	0	0	111.4	C31 F33 S82 F87 T88	C31-Q84 PolarHBondContact SG-NE2 2.77Å; F33-Q84 HydrophobicContact CE1-CG 4.33Å; F33-Q84 HydrophobicContact CZ-CG 4.25Å; S82-Q84 PolarHBondContact O-N 3.2Å; S82-Q84 VanDerWaalsContact O-N 3.14Å; S82-Q84 PolarHBondContact OG-N 3.31Å; S82-Q84 PolarHBondContact OG-OE1 2.83Å; Q84-F87 WeakPolarHBondContact O-CB 3.31Å; Q84-F87 PolarHBondContact O-N 3.1Å; Q84-T88 PolarHBondContact O-N 2.68Å; Q84-T88 PolarHBondContact O-OG1 3.25Å
85	E	96	Very high	96.2	Very high	103 Å²	103	50 Å²	50	48%	0.481	28%	0.275	S	S	.	.	H	α-helix	trans	-67.4	-42.9	176.9	-68.2	169.9	173.2	0	0	110.8	Y81 S82 F87 T88 N89	Y81-E85 HydrophobicContact CD2-CB 4.21Å; Y81-E85 HydrophobicContact CE2-CB 3.57Å; Y81-E85 PolarHBondContact OH-O 2.91Å; S82-E85 WeakPolarHBondContact CB-OE2 3.4Å; S82-E85 WeakPolarHBondContact O-CB 3.34Å; S82-E85 PolarHBondContact O-N 2.98Å; E85-F87 VanDerWaalsContact C-N 3.25Å; E85-F87 PolarHBondContact O-N 3.43Å; E85-T88 PolarHBondContact O-N 3.09Å; E85-N89 WeakPolarHBondContact O-CB 3.36Å; E85-N89 VanDerWaalsContact O-CG 3.31Å; E85-N89 PolarHBondContact O-N 2.93Å
86	A	96.8	Very high	96.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-53.5	-44.7	171.1	0	0	0	0	0	112.2	L50 V56 V75 T77 Y81 S82 A90	L50-A86 HydrophobicContact CD2-CB 4.26Å; L50-A86 WeakPolarHBondContact CD2-O 3.08Å; V56-A86 HydrophobicContact CG2-CB 3.92Å; V75-A86 HydrophobicContact CG1-CB 4.41Å; T77-A86 HydrophobicContact CG2-CB 3.58Å; Y81-A86 HydrophobicContact CD1-CB 4.05Å; Y81-A86 HydrophobicContact CE1-CB 3.36Å; Y81-A86 VanDerWaalsContact CZ-CA 3.46Å; Y81-A86 VanDerWaalsContact CZ-N 3.35Å; Y81-A86 WeakPolarHBondContact OH-CA 3.37Å; Y81-A86 PolarHBondContact OH-N 3.4Å; S82-A86 PolarHBondContact O-N 3.33Å; A86-A90 VanDerWaalsContact O-CB 3.23Å; A86-A90 WeakPolarHBondContact O-CB 3.3Å; A86-A90 PolarHBondContact O-N 3.14Å
87	F	96.3	Very high	96.2	Very high	13 Å²	13	55.6 Å²	55.6	6%	0.057	31%	0.309	C	S	.	.	H	α-helix	trans	-65	-44.7	178.7	-161	-98.6	0	0	0	112.5	F33 I35 I46 L50 I73 V75 P83 Q84 E85 I91	F33-F87 HydrophobicContact CB-CE2 4.47Å; F33-F87 HydrophobicContact CB-CZ 4.49Å; F33-F87 HydrophobicContact CD1-CD1 4.26Å; F33-F87 HydrophobicContact CD1-CE1 4.42Å; F33-F87 HydrophobicContact CD1-CG 4.32Å; F33-F87 HydrophobicContact CD2-CD2 4Å; F33-F87 HydrophobicContact CD2-CE2 4.27Å; F33-F87 HydrophobicContact CD2-CG 4.43Å; F33-F87 HydrophobicContact CE1-CB 4.24Å; F33-F87 HydrophobicContact CE1-CD1 4.24Å; F33-F87 HydrophobicContact CE1-CG 4.12Å; F33-F87 HydrophobicContact CE2-CB 4.25Å; F33-F87 HydrophobicContact CE2-CD2 4.07Å; F33-F87 HydrophobicContact CE2-CG 4.22Å; F33-F87 HydrophobicContact CG-CD2 4.26Å; F33-F87 HydrophobicContact CG-CE2 4.25Å; F33-F87 HydrophobicContact CG-CG 4.48Å; F33-F87 HydrophobicContact CG-CZ 4.47Å; F33-F87 HydrophobicContact CZ-CB 3.89Å; F33-F87 HydrophobicContact CZ-CD2 4.38Å; F33-F87 HydrophobicContact CZ-CG 4.07Å; I35-F87 HydrophobicContact CD1-CZ 4.11Å; I46-F87 HydrophobicContact CD1-CZ 4.21Å; I46-F87 HydrophobicContact CG2-CD2 4.26Å; I46-F87 HydrophobicContact CG2-CE2 3.57Å; I46-F87 HydrophobicContact CG2-CZ 4.04Å; L50-F87 HydrophobicContact CD1-CD2 4.1Å; L50-F87 HydrophobicContact CD1-CE2 4.39Å; I73-F87 HydrophobicContact CB-CE2 4.42Å; I73-F87 HydrophobicContact CD1-CE2 3.85Å; I73-F87 HydrophobicContact CD1-CZ 4.06Å; I73-F87 HydrophobicContact CG2-CE2 4.18Å; V75-F87 HydrophobicContact CG2-CD2 4.2Å; P83-F87 WeakPolarHBondContact O-CB 3.48Å; P83-F87 PolarHBondContact O-N 3.2Å; Q84-F87 WeakPolarHBondContact O-CB 3.31Å; Q84-F87 PolarHBondContact O-N 3.1Å; E85-F87 VanDerWaalsContact C-N 3.25Å; E85-F87 PolarHBondContact O-N 3.43Å; F87-I91 HydrophobicContact CD1-CD1 3.68Å; F87-I91 HydrophobicContact CE1-CD1 3.41Å; F87-I91 VanDerWaalsContact CE1-CD1 3.41Å; F87-I91 HydrophobicContact CE1-CG1 4.49Å; F87-I91 HydrophobicContact CZ-CD1 4.14Å; F87-I91 WeakPolarHBondContact O-CG1 3.47Å; F87-I91 PolarHBondContact O-N 3.41Å; F87-I91 VanDerWaalsContact O-N 3.14Å
88	T	96.4	Very high	96.1	Very high	84 Å²	84	59.8 Å²	59.8	52%	0.515	33%	0.331	S	S	.	.	H	α-helix	trans	-67.3	-42.4	178	-62.6	0	0	0	0	112.4	Q84 E85 I91 T92	Q84-T88 PolarHBondContact O-N 2.68Å; Q84-T88 PolarHBondContact O-OG1 3.25Å; E85-T88 PolarHBondContact O-N 3.09Å; T88-I91 PolarHBondContact O-N 2.81Å; T88-T92 PolarHBondContact O-N 3.43Å; T88-T92 PolarHBondContact O-OG1 2.91Å
89	N	96.7	Very high	96.2	Very high	74 Å²	74	61.5 Å²	61.5	40%	0.396	34%	0.344	S	S	.	.	H	α-helix	trans	-64	-47.6	178.2	-72.9	-1.4	0	0	0	110.6	Y81 E85 I91 T92 D93	Y81-N89 PolarHBondContact OH-ND2 2.96Å; E85-N89 WeakPolarHBondContact O-CB 3.36Å; E85-N89 VanDerWaalsContact O-CG 3.31Å; E85-N89 PolarHBondContact O-N 2.93Å; N89-I91 VanDerWaalsContact C-N 3.28Å; N89-I91 PolarHBondContact O-N 2.88Å; N89-T92 PolarHBondContact O-N 3.07Å; N89-D93 VanDerWaalsContact O-CG 3.3Å; N89-D93 PolarHBondContact O-N 2.87Å
90	A	97	Very high	96.4	Very high	7 Å²	7	59.2 Å²	59.2	6%	0.058	33%	0.325	C	S	.	.	H	α-helix	trans	-56.4	-41.6	175.7	0	0	0	0	0	112.3	Q49 L50 A86 L94	Q49-A90 HydrophobicContact CB-CB 4.27Å; Q49-A90 HydrophobicContact CG-CB 3.95Å; Q49-A90 VanDerWaalsContact CG-O 3.31Å; Q49-A90 WeakPolarHBondContact CG-O 3.44Å; L50-A90 HydrophobicContact CD2-CB 3.71Å; L50-A90 HydrophobicContact CG-CB 3.89Å; A86-A90 VanDerWaalsContact O-CB 3.23Å; A86-A90 WeakPolarHBondContact O-CB 3.3Å; A86-A90 PolarHBondContact O-N 3.14Å; A90-L94 WeakPolarHBondContact O-CB 3.28Å; A90-L94 PolarHBondContact O-N 3Å
91	I	96.7	Very high	96.6	Very high	55 Å²	55	58.6 Å²	58.6	28%	0.282	32%	0.321	S	S	.	.	H	α-helix	trans	-65.4	-43.5	176.7	-70.5	168.8	0	0	0	111.4	F87 T88 N89 L94 I95	F87-I91 HydrophobicContact CD1-CD1 3.68Å; F87-I91 HydrophobicContact CE1-CD1 3.41Å; F87-I91 VanDerWaalsContact CE1-CD1 3.41Å; F87-I91 HydrophobicContact CE1-CG1 4.49Å; F87-I91 HydrophobicContact CZ-CD1 4.14Å; F87-I91 WeakPolarHBondContact O-CG1 3.47Å; F87-I91 PolarHBondContact O-N 3.41Å; F87-I91 VanDerWaalsContact O-N 3.14Å; T88-I91 PolarHBondContact O-N 2.81Å; N89-I91 VanDerWaalsContact C-N 3.28Å; N89-I91 PolarHBondContact O-N 2.88Å; I91-L94 PolarHBondContact O-N 3.32Å; I91-I95 HydrophobicContact CG2-CD1 3.8Å; I91-I95 HydrophobicContact CG2-CG1 4.42Å; I91-I95 VanDerWaalsContact O-CG1 3.28Å; I91-I95 WeakPolarHBondContact O-CG1 3.2Å; I91-I95 PolarHBondContact O-N 3.26Å
92	T	97.5	Very high	96.8	Very high	74 Å²	74	64.2 Å²	64.2	45%	0.454	35%	0.348	S	S	.	.	H	α-helix	trans	-63.3	-43.6	-179.4	-54.4	0	0	0	0	111.5	T88 N89 I95 S96	T88-T92 PolarHBondContact O-N 3.43Å; T88-T92 PolarHBondContact O-OG1 2.91Å; N89-T92 PolarHBondContact O-N 3.07Å; T92-I95 PolarHBondContact O-N 3.32Å; T92-S96 PolarHBondContact O-N 3.41Å; T92-S96 VanDerWaalsContact O-N 3.12Å; T92-S96 PolarHBondContact O-OG 3.45Å
93	D	96.9	Very high	96.9	Very high	87 Å²	87	67.5 Å²	67.5	47%	0.465	36%	0.359	S	S	.	.	H	α-helix	trans	-65.2	-42.8	176.5	-66.7	-19.3	0	0	0	110.9	N89 I95 S96 E97	N89-D93 VanDerWaalsContact O-CG 3.3Å; N89-D93 PolarHBondContact O-N 2.87Å; D93-I95 PolarHBondContact O-N 2.94Å; D93-S96 WeakPolarHBondContact O-CB 3.45Å; D93-S96 PolarHBondContact O-N 2.93Å; D93-E97 WeakPolarHBondContact O-CG 3.49Å; D93-E97 PolarHBondContact O-N 3.07Å
94	L	96.8	Very high	97	Very high	21 Å²	21	75.4 Å²	75.4	11%	0.11	39%	0.389	C	S	.	.	H	α-helix	trans	-62.1	-43.3	178	179.9	63.8	0	0	0	112.3	I45 I46 Q49 A90 I91 S96 E97 L98	I45-L94 HydrophobicContact CG2-CD1 3.43Å; I45-L94 VanDerWaalsContact CG2-CD1 3.43Å; I45-L94 HydrophobicContact CG2-CD2 3.49Å; I45-L94 VanDerWaalsContact CG2-CD2 3.49Å; I45-L94 HydrophobicContact CG2-CG 4.07Å; I46-L94 HydrophobicContact CG1-CD2 4.47Å; Q49-L94 HydrophobicContact CG-CB 4.17Å; A90-L94 WeakPolarHBondContact O-CB 3.28Å; A90-L94 PolarHBondContact O-N 3Å; I91-L94 PolarHBondContact O-N 3.32Å; L94-S96 VanDerWaalsContact C-N 3.28Å; L94-S96 PolarHBondContact O-N 3.38Å; L94-E97 PolarHBondContact O-N 3.45Å; L94-L98 HydrophobicContact CD1-CD1 4.33Å; L94-L98 HydrophobicContact CD1-CG 4.38Å; L94-L98 HydrophobicContact CG-CD1 4.18Å; L94-L98 WeakPolarHBondContact O-CB 3.48Å; L94-L98 WeakPolarHBondContact O-CG 3.43Å; L94-L98 PolarHBondContact O-N 2.81Å
95	I	97.2	Very high	97.1	Very high	99 Å²	99	79 Å²	79	51%	0.508	40%	0.404	S	S	.	.	H	α-helix	trans	-59.6	-44.5	175.6	-69.8	165.9	0	0	0	109.7	I91 T92 D93 L98 S99	I91-I95 HydrophobicContact CG2-CD1 3.8Å; I91-I95 HydrophobicContact CG2-CG1 4.42Å; I91-I95 VanDerWaalsContact O-CG1 3.28Å; I91-I95 WeakPolarHBondContact O-CG1 3.2Å; I91-I95 PolarHBondContact O-N 3.26Å; T92-I95 PolarHBondContact O-N 3.32Å; D93-I95 PolarHBondContact O-N 2.94Å; I95-L98 PolarHBondContact O-N 3.27Å; I95-S99 PolarHBondContact O-N 3.15Å; I95-S99 PolarHBondContact O-OG 2.94Å
96	S	97.5	Very high	97.1	Very high	72 Å²	72	81.6 Å²	81.6	50%	0.503	41%	0.409	S	S	.	.	H	α-helix	trans	-64.1	-42.9	179.5	-55.7	0	0	0	0	112.3	T92 D93 L94 S99 L100	T92-S96 PolarHBondContact O-N 3.41Å; T92-S96 VanDerWaalsContact O-N 3.12Å; T92-S96 PolarHBondContact O-OG 3.45Å; D93-S96 WeakPolarHBondContact O-CB 3.45Å; D93-S96 PolarHBondContact O-N 2.93Å; L94-S96 VanDerWaalsContact C-N 3.28Å; L94-S96 PolarHBondContact O-N 3.38Å; S96-S99 PolarHBondContact O-N 2.87Å; S96-L100 PolarHBondContact O-N 2.9Å
97	E	96.4	Very high	97.1	Very high	90 Å²	90	85 Å²	85	42%	0.421	43%	0.43	S	S	.	.	H	α-helix	trans	-60.6	-43.5	174.8	-75.9	-175	-155.3	0	0	111.7	Q49 K52 D93 L94 L100 L101	Q49-E97 PolarHBondContact NE2-OE1 3.47Å; Q49-E97 PolarHBondContact OE1-OE1 3.46Å; K52-E97 IonicContact NZ-OE1 2.81Å; K52-E97 PolarHBondContact NZ-OE1 2.99Å; K52-E97 IonicContact NZ-OE2 2.81Å; K52-E97 PolarHBondContact NZ-OE2 2.89Å; D93-E97 WeakPolarHBondContact O-CG 3.49Å; D93-E97 PolarHBondContact O-N 3.07Å; L94-E97 PolarHBondContact O-N 3.45Å; E97-L100 PolarHBondContact O-N 3.19Å; E97-L101 WeakPolarHBondContact O-CB 3.33Å; E97-L101 PolarHBondContact O-N 3.12Å
98	L	96.6	Very high	97.1	Very high	91 Å²	91	86.9 Å²	86.9	48%	0.476	45%	0.448	S	S	.	.	H	α-helix	trans	-68.4	-40.2	179.5	-71.8	173.8	0	0	0	112.3	L94 I95 L100 L101 E102	L94-L98 HydrophobicContact CD1-CD1 4.33Å; L94-L98 HydrophobicContact CD1-CG 4.38Å; L94-L98 HydrophobicContact CG-CD1 4.18Å; L94-L98 WeakPolarHBondContact O-CB 3.48Å; L94-L98 WeakPolarHBondContact O-CG 3.43Å; L94-L98 PolarHBondContact O-N 2.81Å; I95-L98 PolarHBondContact O-N 3.27Å; L98-L100 VanDerWaalsContact C-N 3.33Å; L98-L100 PolarHBondContact O-N 3.48Å; L98-L101 HydrophobicContact CD2-CD2 4.42Å; L98-L101 WeakPolarHBondContact O-CB 3.47Å; L98-L101 PolarHBondContact O-N 2.94Å; L98-E102 WeakPolarHBondContact O-CB 3.5Å; L98-E102 PolarHBondContact O-N 3.31Å
99	S	97.6	Very high	97.1	Very high	66 Å²	66	86.3 Å²	86.3	46%	0.462	44%	0.441	S	S	.	.	H	α-helix	trans	-62.2	-41.1	174.4	-63.9	0	0	0	0	111.9	I95 S96 E102 E103	I95-S99 PolarHBondContact O-N 3.15Å; I95-S99 PolarHBondContact O-OG 2.94Å; S96-S99 PolarHBondContact O-N 2.87Å; S99-E102 PolarHBondContact O-N 3.43Å; S99-E103 PolarHBondContact O-N 3.39Å
100	L	97.7	Very high	97	Very high	76 Å²	76	88.3 Å²	88.3	40%	0.398	45%	0.446	S	S	.	.	H	α-helix	trans	-66	-40.3	175.3	-179.3	62.6	0	0	0	111.9	S96 E97 L98 E103 R104	S96-L100 PolarHBondContact O-N 2.9Å; E97-L100 PolarHBondContact O-N 3.19Å; L98-L100 VanDerWaalsContact C-N 3.33Å; L98-L100 PolarHBondContact O-N 3.48Å; L100-E103 PolarHBondContact O-N 3.39Å; L100-R104 HydrophobicContact CD1-CG 4.27Å; L100-R104 WeakPolarHBondContact O-CB 3.15Å; L100-R104 WeakPolarHBondContact O-CG 3.43Å; L100-R104 PolarHBondContact O-N 3.02Å
101	L	97.7	Very high	96.9	Very high	110 Å²	110	92.5 Å²	92.5	58%	0.576	47%	0.468	S	S	*	.	H	α-helix	trans	-61.2	-47.2	175.5	175.6	62.9	0	0	0	111.1	E97 L98 E103 R104 F105	E97-L101 WeakPolarHBondContact O-CB 3.33Å; E97-L101 PolarHBondContact O-N 3.12Å; L98-L101 HydrophobicContact CD2-CD2 4.42Å; L98-L101 WeakPolarHBondContact O-CB 3.47Å; L98-L101 PolarHBondContact O-N 2.94Å; L101-E103 PolarHBondContact O-N 2.85Å; L101-R104 PolarHBondContact O-N 3.48Å; L101-F105 WeakPolarHBondContact O-CB 3.32Å; L101-F105 PolarHBondContact O-N 3.44Å
102	E	97.7	Very high	96.7	Very high	135 Å²	135	96.3 Å²	96.3	63%	0.631	48%	0.482	S	S	*	.	H	α-helix	trans	-58	-47.7	177.9	-174.7	-171.7	162.9	0	0	111.4	L98 S99 F105 R106	L98-E102 WeakPolarHBondContact O-CB 3.5Å; L98-E102 PolarHBondContact O-N 3.31Å; S99-E102 PolarHBondContact O-N 3.43Å; E102-F105 PolarHBondContact O-N 2.91Å; E102-R106 WeakPolarHBondContact O-CB 3.43Å; E102-R106 PolarHBondContact O-N 3.02Å
103	E	97.7	Very high	96.5	Very high	104 Å²	104	99.6 Å²	99.6	49%	0.486	49%	0.493	S	S	.	.	H	α-helix	trans	-61	-50.4	179	-179.1	176.6	-158.2	0	0	111.8	S99 L100 L101 F105 R106 V107	S99-E103 PolarHBondContact O-N 3.39Å; L100-E103 PolarHBondContact O-N 3.39Å; L101-E103 PolarHBondContact O-N 2.85Å; E103-F105 VanDerWaalsContact C-N 3.31Å; E103-F105 PolarHBondContact O-N 3.49Å; E103-R106 WeakPolarHBondContact O-CB 3.46Å; E103-R106 PolarHBondContact O-N 2.94Å; E103-V107 WeakPolarHBondContact O-CG2 3.44Å; E103-V107 PolarHBondContact O-N 3.42Å
104	R	97.6	Very high	96.3	Very high	168 Å²	168	101.6 Å²	101.6	63%	0.634	50%	0.499	S	S	*	.	H	α-helix	trans	-63.3	-39.1	179.6	-71.8	-178.1	-179.7	-164.7	2	112	L100 L101 V107 A108	L100-R104 HydrophobicContact CD1-CG 4.27Å; L100-R104 WeakPolarHBondContact O-CB 3.15Å; L100-R104 WeakPolarHBondContact O-CG 3.43Å; L100-R104 PolarHBondContact O-N 3.02Å; L101-R104 PolarHBondContact O-N 3.48Å; R104-V107 PolarHBondContact O-N 3.48Å; R104-A108 WeakPolarHBondContact O-CB 3.48Å; R104-A108 PolarHBondContact O-N 3.06Å
105	F	97.9	Very high	95.4	Very high	130 Å²	130	103.3 Å²	103.3	57%	0.57	52%	0.521	S	S	*	.	H	α-helix	trans	-64.3	-42	176.8	-174.4	-109.1	0	0	0	111.4	L101 E102 E103 V107 A108 I109	L101-F105 WeakPolarHBondContact O-CB 3.32Å; L101-F105 PolarHBondContact O-N 3.44Å; E102-F105 PolarHBondContact O-N 2.91Å; E103-F105 VanDerWaalsContact C-N 3.31Å; E103-F105 PolarHBondContact O-N 3.49Å; F105-V107 PolarHBondContact O-N 2.94Å; F105-A108 PolarHBondContact O-N 3.3Å; F105-I109 HydrophobicContact CD1-CD1 3.74Å; F105-I109 HydrophobicContact CE1-CD1 3.29Å; F105-I109 HydrophobicContact CE1-CG1 4.23Å; F105-I109 HydrophobicContact CE2-CD1 4.47Å; F105-I109 HydrophobicContact CZ-CD1 3.71Å; F105-I109 HydrophobicContact CZ-CG1 4.29Å; F105-I109 WeakPolarHBondContact O-CG1 3.36Å; F105-I109 PolarHBondContact O-N 3.31Å
106	R	97	Very high	93.6	Very high	158 Å²	158	104 Å²	104	60%	0.596	53%	0.525	S	S	*	.	H	α-helix	trans	-61.6	-43	175.1	-175.2	-178	66.3	-165.1	-1.7	112.3	E102 E103 I109 K110	E102-R106 WeakPolarHBondContact O-CB 3.43Å; E102-R106 PolarHBondContact O-N 3.02Å; E103-R106 WeakPolarHBondContact O-CB 3.46Å; E103-R106 PolarHBondContact O-N 2.94Å; R106-I109 PolarHBondContact O-N 3.01Å; R106-K110 PolarHBondContact O-N 3.13Å; R106-K110 VanDerWaalsContact O-N 3.13Å
107	V	96.1	Very high	91.2	Very high	70 Å²	70	112.7 Å²	112.7	42%	0.424	56%	0.558	S	S	.	*	H	α-helix	trans	-62.2	-48	175.1	173.9	0	0	0	0	110.5	E103 R104 F105 I109 K110 D111	E103-V107 WeakPolarHBondContact O-CG2 3.44Å; E103-V107 PolarHBondContact O-N 3.42Å; R104-V107 PolarHBondContact O-N 3.48Å; F105-V107 PolarHBondContact O-N 2.94Å; V107-I109 VanDerWaalsContact C-N 3.3Å; V107-I109 PolarHBondContact O-N 3.29Å; V107-K110 WeakPolarHBondContact O-CB 3.39Å; V107-K110 PolarHBondContact O-N 2.93Å; V107-D111 PolarHBondContact O-N 3.24Å
108	A	96	Very high	91	Very high	54 Å²	54	113.8 Å²	113.8	45%	0.446	56%	0.564	S	S	.	*	H	α-helix	trans	-61.3	-36.1	179.3	0	0	0	0	0	113.2	R104 F105 K112	R104-A108 WeakPolarHBondContact O-CB 3.48Å; R104-A108 PolarHBondContact O-N 3.06Å; F105-A108 PolarHBondContact O-N 3.3Å; A108-K112 WeakPolarHBondContact O-CB 3.17Å; A108-K112 PolarHBondContact O-N 2.93Å
109	I	96.2	Very high	90.7	Very high	72 Å²	72	115 Å²	115	37%	0.369	57%	0.569	S	S	.	*	H	α-helix	trans	-63.4	-45.1	173	-75	174.8	0	0	0	110.8	F105 R106 V107 K112 Q113	F105-I109 HydrophobicContact CD1-CD1 3.74Å; F105-I109 HydrophobicContact CE1-CD1 3.29Å; F105-I109 HydrophobicContact CE1-CG1 4.23Å; F105-I109 HydrophobicContact CE2-CD1 4.47Å; F105-I109 HydrophobicContact CZ-CD1 3.71Å; F105-I109 HydrophobicContact CZ-CG1 4.29Å; F105-I109 WeakPolarHBondContact O-CG1 3.36Å; F105-I109 PolarHBondContact O-N 3.31Å; R106-I109 PolarHBondContact O-N 3.01Å; V107-I109 VanDerWaalsContact C-N 3.3Å; V107-I109 PolarHBondContact O-N 3.29Å; I109-K112 PolarHBondContact O-N 3.38Å; I109-Q113 HydrophobicContact CG2-CG 4.44Å; I109-Q113 WeakPolarHBondContact O-CG 3.32Å; I109-Q113 PolarHBondContact O-N 3.05Å
110	K	94.7	Very high	90.3	Very high	116 Å²	116	117.7 Å²	117.7	50%	0.504	58%	0.575	S	S	.	*	H	α-helix	trans	-62	-49.5	179.6	-175.5	-175.2	170.1	-171.9	0	111	R106 V107 K112 Q113 E114	R106-K110 PolarHBondContact O-N 3.13Å; R106-K110 VanDerWaalsContact O-N 3.13Å; V107-K110 WeakPolarHBondContact O-CB 3.39Å; V107-K110 PolarHBondContact O-N 2.93Å; K110-K112 PolarHBondContact O-N 2.94Å; K110-Q113 PolarHBondContact O-N 3.31Å; K110-E114 WeakPolarHBondContact CE-OE1 3.42Å; K110-E114 IonicContact NZ-OE1 3.78Å; K110-E114 PolarHBondContact O-N 3.45Å
111	D	94.5	Very high	89.9	Confident	95 Å²	95	120.2 Å²	120.2	51%	0.508	59%	0.585	S	S	.	*	H	α-helix	trans	-59.1	-38.5	177.8	-64	-12.1	0	0	0	111.1	V107 G115	V107-D111 PolarHBondContact O-N 3.24Å; D111-G115 PolarHBondContact O-N 3.06Å
112	K	93.6	Very high	89.4	Confident	135 Å²	135	120.8 Å²	120.8	59%	0.587	59%	0.586	S	S	*	*	H	α-helix	trans	-69.1	-35.2	176.3	-175.7	56	179.3	167.1	0	112.7	A108 I109 K110 I116	A108-K112 WeakPolarHBondContact O-CB 3.17Å; A108-K112 PolarHBondContact O-N 2.93Å; I109-K112 PolarHBondContact O-N 3.38Å; K110-K112 PolarHBondContact O-N 2.94Å; K112-I116 HydrophobicContact CD-CD1 4.31Å; K112-I116 HydrophobicContact CD-CG1 4.3Å; K112-I116 HydrophobicContact CG-CD1 4.27Å; K112-I116 WeakPolarHBondContact O-CD1 2.89Å; K112-I116 WeakPolarHBondContact O-CG1 3.15Å
113	Q	93.6	Very high	88.8	Confident	143 Å²	143	119.9 Å²	119.9	67%	0.668	58%	0.583	S	S	*	*	H	α-helix	trans	-70.4	-37	176.2	-74.7	175.7	-12.8	0	0	112.1	I109 K110	I109-Q113 HydrophobicContact CG2-CG 4.44Å; I109-Q113 WeakPolarHBondContact O-CG 3.32Å; I109-Q113 PolarHBondContact O-N 3.05Å; K110-Q113 PolarHBondContact O-N 3.31Å
114	E	92	Very high	88.2	Confident	129 Å²	129	121 Å²	121	60%	0.603	59%	0.59	S	S	*	*	H	α-helix	trans	-75.9	-33.1	177.9	-68.1	178.9	179.6	0	0	112.4	K110	K110-E114 WeakPolarHBondContact CE-OE1 3.42Å; K110-E114 IonicContact NZ-OE1 3.78Å; K110-E114 PolarHBondContact O-N 3.45Å
115	G	78.8	Confident	87.5	Confident	56 Å²	56	117.4 Å²	117.4	58%	0.577	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	10.1	-179.3	0	0	0	0	0	116.1	D111 E117	D111-G115 PolarHBondContact O-N 3.06Å; G115-E117 VanDerWaalsContact C-N 3.33Å; G115-E117 PolarHBondContact O-N 2.98Å
116	I	59.2	Low	86.6	Confident	114 Å²	114	116.3 Å²	116.3	59%	0.585	59%	0.588	S	S	*	*			trans	-92.3	75.3	167.2	-62.9	157.1	0	0	0	107.5	K112	K112-I116 HydrophobicContact CD-CD1 4.31Å; K112-I116 HydrophobicContact CD-CG1 4.3Å; K112-I116 HydrophobicContact CG-CD1 4.27Å; K112-I116 WeakPolarHBondContact O-CD1 2.89Å; K112-I116 WeakPolarHBondContact O-CG1 3.15Å
117	E	47.4	Very low	85.6	Confident	254 Å²	254	112.5 Å²	112.5	100%	1.187	59%	0.587	S	S	*	*			trans	-96.4	0	147.1	-69	-173.4	158	0	0	108.3	G115	G115-E117 VanDerWaalsContact C-N 3.33Å; G115-E117 PolarHBondContact O-N 2.98Å

Retrieved 117 of 117 residues in 80.5 ms (Link to these results)

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