A0A096NRQ2_PAPAN Loading...

PAXX non-homologous end joining factor

AlphaFold DB , UniProt , Accession A0A096NRQ2, Species PAPAN (Papio anubis, Olive baboon), Gene PAXX, Length 204 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	34.3	Very low	76.9	Confident	242 Å²	242	82.8 Å²	82.8	100%	1.192	47%	0.465	S	S	*	.				0	125.6	0	-73.2	-174	171.7	0	0	106.4
2	D	42.1	Very low	78.5	Confident	138 Å²	138	79.4 Å²	79.4	74%	0.738	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-60.6	133	174.2	-76.3	-46.4	0	0	0	108.8	L4	D2-L4 PolarHBondContact O-N 3.33Å; D2-L4 VanDerWaalsContact O-N 3.16Å
3	P	53.8	Low	79.6	Confident	109 Å²	109	78.4 Å²	78.4	71%	0.708	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-59	123.5	173.3	23.3	-30.3	0	0	0	108.5	S5	P3-S5 PolarHBondContact O-N 3.41Å
4	L	64.4	Low	80.5	Confident	145 Å²	145	76.4 Å²	76.4	76%	0.759	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-56.6	126	178.8	-73.6	168	0	0	0	108.7	D2	D2-L4 PolarHBondContact O-N 3.33Å; D2-L4 VanDerWaalsContact O-N 3.16Å
5	S	79.1	Confident	81.3	Confident	52 Å²	52	80.6 Å²	80.6	36%	0.364	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-60	142.2	178.3	-59.9	0	0	0	0	110.4	P3 R77	P3-S5 PolarHBondContact O-N 3.41Å; S5-R77 PolarHBondContact O-NH1 3.43Å; S5-R77 PolarHBondContact O-NH2 3.41Å
6	P	88.9	Confident	82.2	Confident	73 Å²	73	83.5 Å²	83.5	47%	0.474	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-54.2	127.3	179.5	-27.2	34.2	0	0	0	111.3	R131	P6-R131 PolarHBondContact O-NH1 3.25Å; P6-R131 PolarHBondContact O-NH2 3.26Å
7	P	94.1	Very high	83	Confident	9 Å²	9	84.9 Å²	84.9	6%	0.058	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-68.7	143.9	-178.5	30.6	-33.6	0	0	0	110.3	C24 T73 F76 R77	P7-C24 VanDerWaalsContact CG-SG 3.55Å; P7-T73 HydrophobicContact CG-CG2 3.94Å; P7-F76 HydrophobicContact CB-CD1 4.18Å; P7-F76 HydrophobicContact CB-CE1 4.31Å; P7-F76 HydrophobicContact CG-CD1 3.73Å; P7-F76 HydrophobicContact CG-CE1 4.1Å; P7-R77 HydrophobicContact CB-CB 3.8Å; P7-R77 HydrophobicContact CB-CG 4.13Å; P7-R77 HydrophobicContact CG-CB 4.22Å
8	L	96.9	Very high	83.8	Confident	55 Å²	55	84.9 Å²	84.9	29%	0.288	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	160.9	172.7	66.9	84.8	0	0	0	110.3	C22 L128	L8-C22 CarbonylContact C-O 3.55Å; L8-C22 WeakPolarHBondContact CA-O 3.42Å; L8-C22 WeakPolarHBondContact CB-O 3.45Å; L8-L128 HydrophobicContact CD2-CD2 3.48Å; L8-L128 VanDerWaalsContact CD2-CD2 3.48Å
9	C	97	Very high	84.5	Confident	14 Å²	14	89.7 Å²	89.7	10%	0.095	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	167.4	166.3	63.1	0	0	0	0	110.5	C22 C80	C9-C22 PolarHBondContact N-O 3.49Å; C9-C22 PolarHBondContact O-N 3.48Å; C9-C80 HydrophobicContact CB-CB 3.79Å; C9-C80 PolarHBondContact SG-SG 3.42Å
10	T	98.2	Very high	85.2	Confident	59 Å²	59	87.1 Å²	87.1	36%	0.362	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	151.1	175.6	57.4	0	0	0	0	111.3	P18 F20 V21	T10-P18 HydrophobicContact CG2-CB 3.99Å; T10-F20 CarbonylContact C-O 3.52Å; T10-F20 WeakPolarHBondContact CA-O 3.42Å; T10-V21 HydrophobicContact CG2-CG2 4.33Å
11	L	97.4	Very high	85.8	Confident	15 Å²	15	84.5 Å²	84.5	8%	0.079	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	147	176.6	-59.5	174.1	0	0	0	111	R19 F20 V85 L87	L11-R19 PolarHBondContact O-N 2.88Å; L11-F20 HydrophobicContact CB-CB 4.3Å; L11-F20 PolarHBondContact N-O 3.37Å; L11-F20 PolarHBondContact O-N 3.31Å; L11-V85 HydrophobicContact CD1-CG1 4.36Å; L11-V85 HydrophobicContact CD2-CB 4.48Å; L11-V85 WeakPolarHBondContact CD2-O 3.43Å; L11-L87 HydrophobicContact CD1-CB 3.54Å; L11-L87 HydrophobicContact CD1-CD2 4.19Å
12	P	95.9	Very high	88.8	Confident	42 Å²	42	73 Å²	73	27%	0.273	43%	0.425	S	S	.	.	S	Bend	cis	-67.1	158.5	-7.6	31	-35.3	0	0	0	111.9	E16	P12-E16 HydrophobicContact CG-CB 4.24Å
13	P	92.8	Very high	91.4	Very high	66 Å²	66	67 Å²	67	43%	0.429	39%	0.392	S	S	.	.			trans	-69.3	147.5	172.4	30.2	-34.3	0	0	0	110.7	Q83	P13-Q83 HydrophobicContact CB-CB 4.01Å; P13-Q83 HydrophobicContact CB-CG 4.26Å
14	G	92.1	Very high	93.4	Very high	50 Å²	50	62.1 Å²	62.1	52%	0.515	36%	0.36	S	S	.	.	S	Bend	trans	114.6	-160.3	175.2	0	0	0	0	0	113.3	E16	G14-E16 VanDerWaalsContact C-N 3.33Å
15	P	93	Very high	94.6	Very high	140 Å²	140	58.9 Å²	58.9	91%	0.909	34%	0.342	S	S	*	.	S	Bend	trans	-83.2	-7.9	-173.5	34	-36.3	0	0	0	113.8
16	E	94.8	Very high	94.5	Very high	127 Å²	127	58 Å²	58	59%	0.593	34%	0.341	S	S	*	.	S	Bend	trans	-64.9	151	178.3	-64.8	-172.9	171.5	0	0	111.1	P12 G14	P12-E16 HydrophobicContact CG-CB 4.24Å; G14-E16 VanDerWaalsContact C-N 3.33Å
17	P	96.3	Very high	93	Very high	108 Å²	108	59 Å²	59	70%	0.701	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-55.2	129.1	174.9	-25.4	34.8	0	0	0	111.1	R19	P17-R19 PolarHBondContact O-N 3.23Å
18	P	96.8	Very high	90.9	Very high	85 Å²	85	61.3 Å²	61.3	55%	0.552	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-65.6	132.9	-179.6	28.2	-34.9	0	0	0	109.7	T10	T10-P18 HydrophobicContact CG2-CB 3.99Å
19	R	97.2	Very high	88.6	Confident	176 Å²	176	64.5 Å²	64.5	66%	0.664	39%	0.392	S	S	*	.			trans	-101.7	-30.2	178.2	-63.8	-175	63.7	-172.9	-1.2	112.4	L11 P17 D43	L11-R19 PolarHBondContact O-N 2.88Å; P17-R19 PolarHBondContact O-N 3.23Å; R19-D43 WeakPolarHBondContact O-CA 3.39Å; R19-D43 WeakPolarHBondContact O-CB 3.46Å
20	F	97.9	Very high	86	Confident	36 Å²	36	66.9 Å²	66.9	16%	0.158	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	151.2	-179.3	-56.4	-84	0	0	0	111.4	T10 L11 V41 T42 D43 L87 L89	T10-F20 CarbonylContact C-O 3.52Å; T10-F20 WeakPolarHBondContact CA-O 3.42Å; L11-F20 HydrophobicContact CB-CB 4.3Å; L11-F20 PolarHBondContact N-O 3.37Å; L11-F20 PolarHBondContact O-N 3.31Å; F20-V41 HydrophobicContact CB-CG1 4.43Å; F20-V41 HydrophobicContact CD1-CG1 4.33Å; F20-T42 CarbonylContact C-O 3.59Å; F20-T42 VanDerWaalsContact CA-O 3.23Å; F20-T42 WeakPolarHBondContact CA-O 3.24Å; F20-D43 HydrophobicContact CD1-CB 3.81Å; F20-D43 HydrophobicContact CE1-CB 3.8Å; F20-L87 HydrophobicContact CB-CD2 4.1Å; F20-L87 HydrophobicContact CD1-CD2 3.9Å; F20-L87 HydrophobicContact CD2-CD2 3.86Å; F20-L87 HydrophobicContact CE1-CD2 4.28Å; F20-L87 HydrophobicContact CE2-CD2 4.24Å; F20-L87 HydrophobicContact CG-CD2 3.68Å; F20-L87 HydrophobicContact CZ-CD2 4.44Å; F20-L89 HydrophobicContact CD1-CD1 4.47Å; F20-L89 HydrophobicContact CE1-CD1 3.8Å; F20-L89 HydrophobicContact CZ-CD1 4.17Å
21	V	98.2	Very high	83.3	Confident	33 Å²	33	74.7 Å²	74.7	20%	0.2	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.4	169.6	-174.7	0	0	0	0	108.1	T10 Y23 V41 T42	T10-V21 HydrophobicContact CG2-CG2 4.33Å; V21-Y23 HydrophobicContact CG1-CD1 4.47Å; V21-V41 WeakPolarHBondContact O-CA 3.23Å; V21-T42 HydrophobicContact CB-CG2 4.11Å; V21-T42 PolarHBondContact N-O 3.25Å; V21-T42 PolarHBondContact O-N 2.99Å
22	C	98.1	Very high	80.7	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.5	171.7	-55.7	0	0	0	0	108.6	L8 C9 Y40 F76	L8-C22 CarbonylContact C-O 3.55Å; L8-C22 WeakPolarHBondContact CA-O 3.42Å; L8-C22 WeakPolarHBondContact CB-O 3.45Å; C9-C22 PolarHBondContact N-O 3.49Å; C9-C22 PolarHBondContact O-N 3.48Å; C22-Y40 WeakPolarHBondContact CA-O 3.43Å; C22-F76 HydrophobicContact CB-CE2 4.31Å; C22-F76 HydrophobicContact CB-CZ 4.13Å
23	Y	97.1	Very high	78.4	Confident	12 Å²	12	82.6 Å²	82.6	5%	0.047	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	168	176.6	69.6	-81.9	0	0	0	111	V21 E25 Y40 T42 L47 L124	V21-Y23 HydrophobicContact CG1-CD1 4.47Å; Y23-E25 HydrophobicContact CD2-CG 4.29Å; Y23-E25 HydrophobicContact CE2-CG 3.97Å; Y23-Y40 HydrophobicContact CD2-CD2 4.09Å; Y23-Y40 HydrophobicContact CE1-CG 4.19Å; Y23-Y40 AromaticContact CE2-CD2 3.57Å; Y23-Y40 HydrophobicContact CE2-CD2 3.57Å; Y23-Y40 HydrophobicContact CE2-CE2 4.32Å; Y23-Y40 AromaticContact CE2-CG 3.85Å; Y23-Y40 HydrophobicContact CE2-CG 3.85Å; Y23-Y40 AromaticContact CZ-CD2 3.89Å; Y23-Y40 AromaticContact CZ-CG 3.65Å; Y23-Y40 PolarHBondContact N-O 3.47Å; Y23-Y40 PolarHBondContact O-N 3.42Å; Y23-T42 HydrophobicContact CE1-CG2 4.43Å; Y23-L47 HydrophobicContact CE1-CD1 4.49Å; Y23-L124 HydrophobicContact CD1-CD1 4.39Å; Y23-L124 HydrophobicContact CD1-CD2 4.19Å; Y23-L124 HydrophobicContact CE1-CD1 4.29Å; Y23-L124 HydrophobicContact CE1-CD2 3.63Å
24	C	94.7	Very high	76.3	Confident	7 Å²	7	83.1 Å²	83.1	5%	0.047	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	153.2	174.3	73.1	0	0	0	0	111.5	P7 F37 N38 L39 F76	P7-C24 VanDerWaalsContact CG-SG 3.55Å; C24-F37 HydrophobicContact CB-CE2 3.96Å; C24-F37 HydrophobicContact CB-CZ 4.3Å; C24-N38 VanDerWaalsContact CA-O 3.26Å; C24-N38 WeakPolarHBondContact CA-O 3.39Å; C24-N38 WeakPolarHBondContact CB-O 3.45Å; C24-L39 HydrophobicContact CB-CD2 3.62Å; C24-L39 HydrophobicContact CB-CG 4.46Å; C24-F76 HydrophobicContact CB-CD1 3.77Å; C24-F76 HydrophobicContact CB-CE1 3.94Å
25	E	89.9	Confident	74.8	Confident	78 Å²	78	83.1 Å²	83.1	36%	0.364	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	149.6	167.2	-57.8	175.6	168.1	0	0	108.6	Y23 F37 N38 Y40 R120	Y23-E25 HydrophobicContact CD2-CG 4.29Å; Y23-E25 HydrophobicContact CE2-CG 3.97Å; E25-F37 WeakPolarHBondContact O-CA 3.44Å; E25-N38 PolarHBondContact N-O 3.22Å; E25-N38 PolarHBondContact O-N 3.19Å; E25-Y40 HydrophobicContact CB-CE2 3.86Å; E25-Y40 HydrophobicContact CG-CD2 4.1Å; E25-Y40 HydrophobicContact CG-CE2 3.62Å; E25-Y40 WeakPolarHBondContact OE2-CE2 3.25Å; E25-Y40 PolarHBondContact OE2-OH 3.02Å; E25-Y40 VanDerWaalsContact OE2-OH 3.08Å; E25-R120 IonicContact OE1-NH1 2.85Å; E25-R120 IonicContact OE2-NH1 3.33Å; E25-R120 PolarHBondContact OE2-NH1 2.84Å
26	G	76.4	Confident	74.2	Confident	34 Å²	34	78.8 Å²	78.8	35%	0.351	50%	0.502	S	S	.	.			trans	110.5	174.2	172.6	0	0	0	0	0	116.2	G28	G26-G28 PolarHBondContact O-N 2.79Å
27	E	58.2	Low	74	Confident	92 Å²	92	72.8 Å²	72.8	43%	0.43	47%	0.474	S	S	.	.	S	Bend	trans	55.5	3.3	-179	-130	155.2	176.8	0	0	118.3	K61	E27-K61 IonicContact OE1-NZ 3.03Å; E27-K61 IonicContact OE2-NZ 3.67Å
28	G	49.5	Very low	73.9	Confident	59 Å²	59	68.6 Å²	68.6	61%	0.608	45%	0.446	S	S	*	.	S	Bend	trans	-120.5	102.2	179.8	0	0	0	0	0	115.9	G26	G26-G28 PolarHBondContact O-N 2.79Å
29	S	49.9	Very low	73.9	Confident	122 Å²	122	64.5 Å²	64.5	85%	0.853	42%	0.419	S	S	*	.	S	Bend	trans	69	98.6	153	59.6	0	0	0	0	120.6
30	G	41.6	Very low	73.9	Confident	63 Å²	63	56.6 Å²	56.6	65%	0.649	39%	0.39	S	S	*	.			trans	162.9	129.6	156.9	0	0	0	0	0	112.2	G32	G30-G32 PolarHBondContact O-N 3.38Å
31	E	42.3	Very low	73.9	Confident	223 Å²	223	54.9 Å²	54.9	100%	1.042	38%	0.382	S	S	*	.	S	Bend	trans	-65.8	27.7	173.6	-78.4	178.7	126.2	0	0	113.9
32	G	42.7	Very low	73.9	Confident	57 Å²	57	53.4 Å²	53.4	59%	0.588	37%	0.373	S	S	*	.	S	Bend	trans	-140	118.7	-179.1	0	0	0	0	0	110.3	G30	G30-G32 PolarHBondContact O-N 3.38Å
33	D	47.3	Very low	73.8	Confident	167 Å²	167	56.5 Å²	56.5	89%	0.893	39%	0.39	S	S	*	.			trans	40.8	76.9	172.6	-154.5	35.6	0	0	0	113.8	G35	D33-G35 VanDerWaalsContact C-N 3.28Å; D33-G35 PolarHBondContact O-N 3.02Å
34	G	48.6	Very low	73.8	Confident	76 Å²	76	59.8 Å²	59.8	78%	0.784	42%	0.419	S	S	*	.			trans	-62.7	85.6	179.6	0	0	0	0	0	111.5	G36	G34-G36 PolarHBondContact O-N 3.3Å
35	G	60.6	Low	73.8	Confident	51 Å²	51	63.1 Å²	63.1	53%	0.526	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-54.6	120.9	170.8	0	0	0	0	0	109.7	D33	D33-G35 VanDerWaalsContact C-N 3.28Å; D33-G35 PolarHBondContact O-N 3.02Å
36	G	79.7	Confident	74.1	Confident	48 Å²	48	62.9 Å²	62.9	50%	0.495	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-58.6	147.5	180	0	0	0	0	0	112	G34 N38	G34-G36 PolarHBondContact O-N 3.3Å; G36-N38 PolarHBondContact O-N 2.85Å; G36-N38 PolarHBondContact O-ND2 3.03Å
37	F	91	Very high	75.1	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.009	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-52.9	128.4	177.4	175.4	-93.6	0	0	0	111.2	C24 E25 L39 F52 L57 I72	C24-F37 HydrophobicContact CB-CE2 3.96Å; C24-F37 HydrophobicContact CB-CZ 4.3Å; E25-F37 WeakPolarHBondContact O-CA 3.44Å; F37-L39 HydrophobicContact CE1-CD1 4.17Å; F37-L39 HydrophobicContact CE1-CG 3.94Å; F37-L39 HydrophobicContact CZ-CD1 4.19Å; F37-L39 HydrophobicContact CZ-CD2 4.11Å; F37-L39 HydrophobicContact CZ-CG 3.79Å; F37-F52 HydrophobicContact CD1-CD2 4.3Å; F37-F52 HydrophobicContact CD1-CE2 4.38Å; F37-F52 HydrophobicContact CE1-CE2 4.5Å; F37-F52 WeakPolarHBondContact O-CD2 3.42Å; F37-L57 HydrophobicContact CB-CD2 4.17Å; F37-L57 HydrophobicContact CD1-CD1 4.24Å; F37-I72 HydrophobicContact CD1-CB 4.25Å; F37-I72 HydrophobicContact CD1-CD1 4.06Å; F37-I72 HydrophobicContact CD2-CB 4.47Å; F37-I72 HydrophobicContact CE1-CB 3.76Å; F37-I72 HydrophobicContact CE1-CD1 3.98Å; F37-I72 HydrophobicContact CE1-CG1 4.43Å; F37-I72 HydrophobicContact CE1-CG2 3.7Å; F37-I72 HydrophobicContact CE2-CB 4Å; F37-I72 HydrophobicContact CE2-CG2 4.31Å; F37-I72 HydrophobicContact CZ-CB 3.62Å; F37-I72 HydrophobicContact CZ-CG2 3.51Å
38	N	95.1	Very high	77	Confident	19 Å²	19	57 Å²	57	10%	0.102	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	145	173.4	-82.5	-78.5	0	0	0	111.5	C24 E25 G36 Y40 T50 C51 F52	C24-N38 VanDerWaalsContact CA-O 3.26Å; C24-N38 WeakPolarHBondContact CA-O 3.39Å; C24-N38 WeakPolarHBondContact CB-O 3.45Å; E25-N38 PolarHBondContact N-O 3.22Å; E25-N38 PolarHBondContact O-N 3.19Å; G36-N38 PolarHBondContact O-N 2.85Å; G36-N38 PolarHBondContact O-ND2 3.03Å; N38-Y40 HydrophobicContact CB-CD2 4.5Å; N38-Y40 HydrophobicContact CB-CE2 3.74Å; N38-T50 WeakPolarHBondContact CA-OG1 3.2Å; N38-T50 PolarHBondContact OD1-OG1 2.84Å; N38-C51 PolarHBondContact OD1-N 3.44Å; N38-C51 VanDerWaalsContact OD1-N 3.15Å; N38-F52 PolarHBondContact OD1-N 2.85Å
39	L	96.6	Very high	79.3	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	140.4	169.4	-74.3	163.8	0	0	0	109.5	C24 F37 S49 T50 F76 L96 F107	C24-L39 HydrophobicContact CB-CD2 3.62Å; C24-L39 HydrophobicContact CB-CG 4.46Å; F37-L39 HydrophobicContact CE1-CD1 4.17Å; F37-L39 HydrophobicContact CE1-CG 3.94Å; F37-L39 HydrophobicContact CZ-CD1 4.19Å; F37-L39 HydrophobicContact CZ-CD2 4.11Å; F37-L39 HydrophobicContact CZ-CG 3.79Å; L39-S49 WeakPolarHBondContact O-CA 3.48Å; L39-T50 HydrophobicContact CB-CG2 3.87Å; L39-T50 PolarHBondContact N-OG1 2.93Å; L39-T50 PolarHBondContact O-N 2.92Å; L39-T50 VanDerWaalsContact O-N 3.08Å; L39-F76 HydrophobicContact CD2-CB 4.38Å; L39-F76 HydrophobicContact CD2-CD1 3.91Å; L39-F76 HydrophobicContact CD2-CD2 3.59Å; L39-F76 HydrophobicContact CD2-CE1 4.06Å; L39-F76 HydrophobicContact CD2-CE2 3.75Å; L39-F76 HydrophobicContact CD2-CG 3.68Å; L39-F76 HydrophobicContact CD2-CZ 3.98Å; L39-L96 HydrophobicContact CD1-CD2 4.36Å; L39-F107 HydrophobicContact CD1-CD1 3.61Å; L39-F107 HydrophobicContact CD1-CD2 3.84Å; L39-F107 HydrophobicContact CD1-CE1 3.61Å; L39-F107 HydrophobicContact CD1-CE2 3.87Å; L39-F107 HydrophobicContact CD1-CG 3.73Å; L39-F107 HydrophobicContact CD1-CZ 3.76Å
40	Y	97.3	Very high	81.5	Confident	9 Å²	9	49.2 Å²	49.2	4%	0.035	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144.3	-179.3	-62.5	-87.6	0	0	0	110.7	C22 Y23 E25 N38 L47 W48 S49 R120	C22-Y40 WeakPolarHBondContact CA-O 3.43Å; Y23-Y40 HydrophobicContact CD2-CD2 4.09Å; Y23-Y40 HydrophobicContact CE1-CG 4.19Å; Y23-Y40 AromaticContact CE2-CD2 3.57Å; Y23-Y40 HydrophobicContact CE2-CD2 3.57Å; Y23-Y40 HydrophobicContact CE2-CE2 4.32Å; Y23-Y40 AromaticContact CE2-CG 3.85Å; Y23-Y40 HydrophobicContact CE2-CG 3.85Å; Y23-Y40 AromaticContact CZ-CD2 3.89Å; Y23-Y40 AromaticContact CZ-CG 3.65Å; Y23-Y40 PolarHBondContact N-O 3.47Å; Y23-Y40 PolarHBondContact O-N 3.42Å; E25-Y40 HydrophobicContact CB-CE2 3.86Å; E25-Y40 HydrophobicContact CG-CD2 4.1Å; E25-Y40 HydrophobicContact CG-CE2 3.62Å; E25-Y40 WeakPolarHBondContact OE2-CE2 3.25Å; E25-Y40 PolarHBondContact OE2-OH 3.02Å; E25-Y40 VanDerWaalsContact OE2-OH 3.08Å; N38-Y40 HydrophobicContact CB-CD2 4.5Å; N38-Y40 HydrophobicContact CB-CE2 3.74Å; Y40-L47 HydrophobicContact CD1-CD1 4.06Å; Y40-L47 HydrophobicContact CD1-CD2 4.24Å; Y40-L47 HydrophobicContact CD1-CG 4.29Å; Y40-W48 VanDerWaalsContact CA-O 3.28Å; Y40-W48 WeakPolarHBondContact CA-O 3.32Å; Y40-S49 WeakPolarHBondContact CE1-OG 3.5Å; Y40-R120 PolarHBondContact OH-NH1 3.43Å
41	V	98.1	Very high	83.9	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.9	172.3	179.5	0	0	0	0	108	F20 V21 W48 L87 L96 L109	F20-V41 HydrophobicContact CB-CG1 4.43Å; F20-V41 HydrophobicContact CD1-CG1 4.33Å; V21-V41 WeakPolarHBondContact O-CA 3.23Å; V41-W48 PolarHBondContact N-O 2.92Å; V41-W48 PolarHBondContact O-N 3.35Å; V41-L87 HydrophobicContact CG1-CD1 4Å; V41-L87 HydrophobicContact CG1-CD2 3.7Å; V41-L87 HydrophobicContact CG2-CD1 4.25Å; V41-L96 HydrophobicContact CG2-CD1 4.03Å; V41-L96 HydrophobicContact CG2-CD2 4.23Å; V41-L109 HydrophobicContact CB-CD2 4.24Å; V41-L109 HydrophobicContact CG2-CD2 3.73Å
42	T	97.9	Very high	86.3	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	146.6	176.8	-179.2	0	0	0	0	111.7	F20 V21 Y23 A44 E46 L121 L124	F20-T42 CarbonylContact C-O 3.59Å; F20-T42 VanDerWaalsContact CA-O 3.23Å; F20-T42 WeakPolarHBondContact CA-O 3.24Å; V21-T42 HydrophobicContact CB-CG2 4.11Å; V21-T42 PolarHBondContact N-O 3.25Å; V21-T42 PolarHBondContact O-N 2.99Å; Y23-T42 HydrophobicContact CE1-CG2 4.43Å; T42-A44 VanDerWaalsContact C-N 3.34Å; T42-A44 WeakPolarHBondContact OG1-CA 3.2Å; T42-A44 PolarHBondContact OG1-N 3.19Å; T42-E46 WeakPolarHBondContact CA-O 3.36Å; T42-E46 VanDerWaalsContact CB-O 3.25Å; T42-E46 WeakPolarHBondContact CB-O 3.38Å; T42-E46 PolarHBondContact OG1-O 2.77Å; T42-L121 HydrophobicContact CG2-CD2 3.92Å; T42-L121 WeakPolarHBondContact OG1-CD2 3.33Å; T42-L124 HydrophobicContact CG2-CD2 3.98Å
43	D	96.6	Very high	88.6	Confident	65 Å²	65	41.1 Å²	41.1	35%	0.348	29%	0.287	S	S	.	.			trans	-97.6	15.8	166.1	63.7	-2.7	0	0	0	112.5	R19 F20 A45 E46	R19-D43 WeakPolarHBondContact O-CA 3.39Å; R19-D43 WeakPolarHBondContact O-CB 3.46Å; F20-D43 HydrophobicContact CD1-CB 3.81Å; F20-D43 HydrophobicContact CE1-CB 3.8Å; D43-A45 PolarHBondContact O-N 3.29Å; D43-A45 WeakPolarHBondContact OD1-CA 3.32Å; D43-A45 WeakPolarHBondContact OD1-CB 3.44Å; D43-A45 PolarHBondContact OD1-N 3.13Å; D43-E46 PolarHBondContact OD1-N 3.14Å
44	A	96.6	Very high	90.6	Very high	81 Å²	81	38.4 Å²	38.4	67%	0.669	28%	0.278	S	S	*	.	S	Bend	trans	66.9	3.6	-171.4	0	0	0	0	0	116	T42	T42-A44 VanDerWaalsContact C-N 3.34Å; T42-A44 WeakPolarHBondContact OG1-CA 3.2Å; T42-A44 PolarHBondContact OG1-N 3.19Å
45	A	95.1	Very high	92.6	Very high	77 Å²	77	41.1 Å²	41.1	64%	0.636	28%	0.275	S	S	*	.	S	Bend	trans	-110.7	-47	169.8	0	0	0	0	0	111.1	D43	D43-A45 PolarHBondContact O-N 3.29Å; D43-A45 WeakPolarHBondContact OD1-CA 3.32Å; D43-A45 WeakPolarHBondContact OD1-CB 3.44Å; D43-A45 PolarHBondContact OD1-N 3.13Å
46	E	96.1	Very high	94.2	Very high	73 Å²	73	40.8 Å²	40.8	34%	0.341	27%	0.265	S	S	.	.			trans	-117.7	158.5	179.8	-56	-166.1	145.5	0	0	110.6	T42 D43 W48 K111	T42-E46 WeakPolarHBondContact CA-O 3.36Å; T42-E46 VanDerWaalsContact CB-O 3.25Å; T42-E46 WeakPolarHBondContact CB-O 3.38Å; T42-E46 PolarHBondContact OG1-O 2.77Å; D43-E46 PolarHBondContact OD1-N 3.14Å; E46-W48 HydrophobicContact CB-CH2 3.49Å; E46-W48 VanDerWaalsContact CB-CH2 3.49Å; E46-W48 HydrophobicContact CB-CZ2 4.01Å; E46-W48 HydrophobicContact CB-CZ3 3.79Å; E46-W48 HydrophobicContact CG-CH2 4.39Å; E46-W48 WeakPolarHBondContact OE2-CZ2 3.3Å; E46-K111 VanDerWaalsContact CD-CE 3.46Å; E46-K111 WeakPolarHBondContact OE1-CE 3.45Å; E46-K111 IonicContact OE1-NZ 3.81Å; E46-K111 PolarHBondContact OE1-NZ 3.24Å; E46-K111 WeakPolarHBondContact OE2-CE 3.41Å; E46-K111 IonicContact OE2-NZ 3.91Å; E46-K111 PolarHBondContact OE2-NZ 2.86Å
47	L	97.4	Very high	94.7	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131	-179	-177.3	67.1	0	0	0	109.2	Y23 Y40 V112 A117 R120 L121	Y23-L47 HydrophobicContact CE1-CD1 4.49Å; Y40-L47 HydrophobicContact CD1-CD1 4.06Å; Y40-L47 HydrophobicContact CD1-CD2 4.24Å; Y40-L47 HydrophobicContact CD1-CG 4.29Å; L47-V112 HydrophobicContact CB-CB 4.21Å; L47-V112 HydrophobicContact CB-CG2 4.37Å; L47-V112 HydrophobicContact CD2-CB 4.17Å; L47-V112 HydrophobicContact CD2-CG1 4.25Å; L47-V112 HydrophobicContact CD2-CG2 4.03Å; L47-V112 HydrophobicContact CG-CB 4.21Å; L47-V112 HydrophobicContact CG-CG2 3.91Å; L47-V112 WeakPolarHBondContact O-CB 3.4Å; L47-V112 PolarHBondContact O-N 2.97Å; L47-A117 HydrophobicContact CB-CB 3.83Å; L47-A117 HydrophobicContact CD2-CB 4.31Å; L47-R120 HydrophobicContact CD2-CB 3.88Å; L47-R120 HydrophobicContact CD2-CG 4.44Å; L47-L121 HydrophobicContact CD1-CD2 4.29Å
48	W	97.9	Very high	94.8	Very high	3 Å²	3	41.8 Å²	41.8	1%	0.011	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	143	170.6	-63.7	-95	0	0	0	109.4	Y40 V41 E46 L89 A94 L109 S110	Y40-W48 VanDerWaalsContact CA-O 3.28Å; Y40-W48 WeakPolarHBondContact CA-O 3.32Å; V41-W48 PolarHBondContact N-O 2.92Å; V41-W48 PolarHBondContact O-N 3.35Å; E46-W48 HydrophobicContact CB-CH2 3.49Å; E46-W48 VanDerWaalsContact CB-CH2 3.49Å; E46-W48 HydrophobicContact CB-CZ2 4.01Å; E46-W48 HydrophobicContact CB-CZ3 3.79Å; E46-W48 HydrophobicContact CG-CH2 4.39Å; E46-W48 WeakPolarHBondContact OE2-CZ2 3.3Å; W48-L89 HydrophobicContact CH2-CD1 4.46Å; W48-L89 HydrophobicContact CH2-CD2 3.97Å; W48-L89 HydrophobicContact CZ2-CD2 3.77Å; W48-L89 HydrophobicContact CZ2-CG 4.5Å; W48-L89 HydrophobicContact CZ3-CD1 4.47Å; W48-A94 HydrophobicContact CG-CB 4.27Å; W48-L109 HydrophobicContact CB-CB 3.99Å; W48-L109 HydrophobicContact CB-CD2 4.17Å; W48-S110 WeakPolarHBondContact CA-O 3.26Å
49	S	96.6	Very high	94.7	Very high	5 Å²	5	43.9 Å²	43.9	4%	0.035	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	153	177.8	179.5	0	0	0	0	110.4	L39 Y40 C51 L109 S110	L39-S49 WeakPolarHBondContact O-CA 3.48Å; Y40-S49 WeakPolarHBondContact CE1-OG 3.5Å; S49-C51 PolarHBondContact O-N 2.83Å; S49-C51 PolarHBondContact OG-N 3.04Å; S49-C51 VanDerWaalsContact OG-N 3.12Å; S49-L109 CarbonylContact O-C 3.57Å; S49-L109 VanDerWaalsContact O-CA 3.26Å; S49-L109 WeakPolarHBondContact O-CA 3.26Å; S49-S110 PolarHBondContact N-O 3.35Å; S49-S110 PolarHBondContact O-N 2.91Å
50	T	95.9	Very high	94.5	Very high	12 Å²	12	44.5 Å²	44.5	7%	0.074	29%	0.288	C	S	.	.			trans	-63.5	-21	167.1	44.6	0	0	0	0	113.3	N38 L39 F52 F107 L109	N38-T50 WeakPolarHBondContact CA-OG1 3.2Å; N38-T50 PolarHBondContact OD1-OG1 2.84Å; L39-T50 HydrophobicContact CB-CG2 3.87Å; L39-T50 PolarHBondContact N-OG1 2.93Å; L39-T50 PolarHBondContact O-N 2.92Å; L39-T50 VanDerWaalsContact O-N 3.08Å; T50-F52 VanDerWaalsContact CB-CD2 3.45Å; T50-F52 HydrophobicContact CG2-CD2 4.17Å; T50-F52 HydrophobicContact CG2-CE2 3.55Å; T50-F52 HydrophobicContact CG2-CZ 3.88Å; T50-F52 PolarHBondContact O-N 2.9Å; T50-F52 VanDerWaalsContact O-N 3.15Å; T50-F52 WeakPolarHBondContact OG1-CD2 3.44Å; T50-F52 WeakPolarHBondContact OG1-CE2 3.49Å; T50-F107 HydrophobicContact CG2-CB 4.06Å; T50-F107 HydrophobicContact CG2-CD1 4.16Å; T50-L109 HydrophobicContact CG2-CG 4.09Å
51	C	92.6	Very high	94.3	Very high	68 Å²	68	44.3 Å²	44.3	46%	0.459	29%	0.288	S	S	.	.			trans	48.7	41.7	179.8	-62.2	0	0	0	0	112.8	N38 S49 T53 S110	N38-C51 PolarHBondContact OD1-N 3.44Å; N38-C51 VanDerWaalsContact OD1-N 3.15Å; S49-C51 PolarHBondContact O-N 2.83Å; S49-C51 PolarHBondContact OG-N 3.04Å; S49-C51 VanDerWaalsContact OG-N 3.12Å; C51-T53 PolarHBondContact O-N 3.03Å; C51-S110 PolarHBondContact SG-OG 2.97Å; C51-S110 VanDerWaalsContact SG-OG 3.36Å
52	F	92.9	Very high	94.1	Very high	31 Å²	31	47.8 Å²	47.8	14%	0.136	32%	0.316	C	S	.	.			trans	-66.8	124.4	-174	-79.8	-49.9	0	0	0	111.5	F37 N38 T50 L57 L60 F107	F37-F52 HydrophobicContact CD1-CD2 4.3Å; F37-F52 HydrophobicContact CD1-CE2 4.38Å; F37-F52 HydrophobicContact CE1-CE2 4.5Å; F37-F52 WeakPolarHBondContact O-CD2 3.42Å; N38-F52 PolarHBondContact OD1-N 2.85Å; T50-F52 VanDerWaalsContact CB-CD2 3.45Å; T50-F52 HydrophobicContact CG2-CD2 4.17Å; T50-F52 HydrophobicContact CG2-CE2 3.55Å; T50-F52 HydrophobicContact CG2-CZ 3.88Å; T50-F52 PolarHBondContact O-N 2.9Å; T50-F52 VanDerWaalsContact O-N 3.15Å; T50-F52 WeakPolarHBondContact OG1-CD2 3.44Å; T50-F52 WeakPolarHBondContact OG1-CE2 3.49Å; F52-L57 HydrophobicContact CB-CB 4.18Å; F52-L57 HydrophobicContact CD1-CB 4.18Å; F52-L57 HydrophobicContact CD2-CD1 4.03Å; F52-L57 HydrophobicContact CE2-CD1 4.17Å; F52-L57 HydrophobicContact CG-CB 4.15Å; F52-L57 HydrophobicContact CG-CD1 4.25Å; F52-L60 HydrophobicContact CE1-CB 4.25Å; F52-L60 HydrophobicContact CE1-CD1 4.42Å; F52-L60 HydrophobicContact CE1-CD2 4.26Å; F52-L60 HydrophobicContact CE2-CD2 4.3Å; F52-L60 HydrophobicContact CZ-CB 4.46Å; F52-L60 HydrophobicContact CZ-CD1 4.19Å; F52-L60 HydrophobicContact CZ-CD2 3.64Å; F52-L60 HydrophobicContact CZ-CG 4.29Å; F52-F107 HydrophobicContact CE2-CD1 4.03Å; F52-F107 HydrophobicContact CE2-CE1 4.31Å; F52-F107 AromaticContact CZ-CD1 3.87Å; F52-F107 HydrophobicContact CZ-CD1 3.87Å; F52-F107 HydrophobicContact CZ-CE1 4.34Å
53	T	91.2	Very high	93.9	Very high	74 Å²	74	54.5 Å²	54.5	45%	0.454	34%	0.341	S	S	.	.			trans	-83.4	160.4	154.8	68.9	0	0	0	0	110	C51 D55 S56 L57	C51-T53 PolarHBondContact O-N 3.03Å; T53-D55 PolarHBondContact O-N 3.23Å; T53-S56 PolarHBondContact N-OG 2.92Å; T53-S56 PolarHBondContact O-N 3.38Å; T53-S56 PolarHBondContact O-OG 3.44Å; T53-S56 WeakPolarHBondContact OG1-CB 3.35Å; T53-S56 PolarHBondContact OG1-N 2.92Å; T53-S56 VanDerWaalsContact OG1-N 3.16Å; T53-S56 PolarHBondContact OG1-OG 3.08Å; T53-L57 WeakPolarHBondContact O-CB 3.5Å; T53-L57 PolarHBondContact O-N 3.04Å
54	P	89.3	Confident	93.6	Very high	110 Å²	110	53.9 Å²	53.9	71%	0.714	34%	0.336	S	S	*	.	H	α-helix	trans	-50.9	-41.4	174.6	-28.4	36	0	0	0	113.3	A58	P54-A58 WeakPolarHBondContact O-CB 3.36Å; P54-A58 PolarHBondContact O-N 3.18Å
55	D	91.2	Very high	93.4	Very high	132 Å²	132	53.3 Å²	53.3	71%	0.706	34%	0.338	S	S	*	.	H	α-helix	trans	-69.4	-44.9	-179.6	-62.1	-28.4	0	0	0	112.5	T53 L57 A58 A59	T53-D55 PolarHBondContact O-N 3.23Å; D55-L57 VanDerWaalsContact C-N 3.34Å; D55-L57 PolarHBondContact O-N 3.03Å; D55-A58 PolarHBondContact O-N 3.4Å; D55-A59 WeakPolarHBondContact O-CB 3.42Å; D55-A59 PolarHBondContact O-N 2.95Å
56	S	92.4	Very high	93.1	Very high	45 Å²	45	50.4 Å²	50.4	32%	0.315	31%	0.311	S	S	.	.	H	α-helix	trans	-67.7	-35	179.4	61.9	0	0	0	0	112.3	T53 A59 L60	T53-S56 PolarHBondContact N-OG 2.92Å; T53-S56 PolarHBondContact O-N 3.38Å; T53-S56 PolarHBondContact O-OG 3.44Å; T53-S56 WeakPolarHBondContact OG1-CB 3.35Å; T53-S56 PolarHBondContact OG1-N 2.92Å; T53-S56 VanDerWaalsContact OG1-N 3.16Å; T53-S56 PolarHBondContact OG1-OG 3.08Å; S56-A59 PolarHBondContact O-N 3.27Å; S56-L60 WeakPolarHBondContact O-CB 3.25Å; S56-L60 PolarHBondContact O-N 3.3Å
57	L	91.8	Very high	92.8	Very high	21 Å²	21	50.2 Å²	50.2	11%	0.11	32%	0.318	C	S	.	.	H	α-helix	trans	-66.4	-44.4	172.1	-179.2	59.4	0	0	0	111.2	F37 F52 T53 D55 A59 L60 K61 I72	F37-L57 HydrophobicContact CB-CD2 4.17Å; F37-L57 HydrophobicContact CD1-CD1 4.24Å; F52-L57 HydrophobicContact CB-CB 4.18Å; F52-L57 HydrophobicContact CD1-CB 4.18Å; F52-L57 HydrophobicContact CD2-CD1 4.03Å; F52-L57 HydrophobicContact CE2-CD1 4.17Å; F52-L57 HydrophobicContact CG-CB 4.15Å; F52-L57 HydrophobicContact CG-CD1 4.25Å; T53-L57 WeakPolarHBondContact O-CB 3.5Å; T53-L57 PolarHBondContact O-N 3.04Å; D55-L57 VanDerWaalsContact C-N 3.34Å; D55-L57 PolarHBondContact O-N 3.03Å; L57-A59 VanDerWaalsContact C-N 3.34Å; L57-A59 PolarHBondContact O-N 3.49Å; L57-L60 WeakPolarHBondContact O-CB 3.34Å; L57-L60 PolarHBondContact O-N 3.06Å; L57-K61 HydrophobicContact CD1-CG 4.49Å; L57-K61 WeakPolarHBondContact O-CG 3.44Å; L57-K61 PolarHBondContact O-N 2.98Å; L57-I72 HydrophobicContact CD1-CD1 3.73Å
58	A	92	Very high	92.3	Very high	50 Å²	50	54.1 Å²	54.1	41%	0.413	35%	0.351	S	S	.	.	H	α-helix	trans	-61.9	-41.7	176	0	0	0	0	0	111.9	P54 D55 K61 A62	P54-A58 WeakPolarHBondContact O-CB 3.36Å; P54-A58 PolarHBondContact O-N 3.18Å; D55-A58 PolarHBondContact O-N 3.4Å; A58-K61 PolarHBondContact O-N 3.44Å; A58-A62 WeakPolarHBondContact O-CB 3.2Å; A58-A62 PolarHBondContact O-N 3.46Å
59	A	93.6	Very high	91.7	Very high	63 Å²	63	58.2 Å²	58.2	52%	0.521	39%	0.385	S	S	.	.	H	α-helix	trans	-63.9	-40.6	175.7	0	0	0	0	0	112.1	D55 S56 L57 A62 R63	D55-A59 WeakPolarHBondContact O-CB 3.42Å; D55-A59 PolarHBondContact O-N 2.95Å; S56-A59 PolarHBondContact O-N 3.27Å; L57-A59 VanDerWaalsContact C-N 3.34Å; L57-A59 PolarHBondContact O-N 3.49Å; A59-A62 PolarHBondContact O-N 3.13Å; A59-R63 WeakPolarHBondContact O-CB 3.35Å; A59-R63 PolarHBondContact O-N 3.17Å
60	L	92.9	Very high	91.3	Very high	12 Å²	12	60.6 Å²	60.6	6%	0.063	40%	0.396	C	S	.	.	H	α-helix	trans	-61.4	-49.7	172.9	-174.7	96.9	0	0	0	111	F52 S56 L57 A62 R63 F64 I72 F107	F52-L60 HydrophobicContact CE1-CB 4.25Å; F52-L60 HydrophobicContact CE1-CD1 4.42Å; F52-L60 HydrophobicContact CE1-CD2 4.26Å; F52-L60 HydrophobicContact CE2-CD2 4.3Å; F52-L60 HydrophobicContact CZ-CB 4.46Å; F52-L60 HydrophobicContact CZ-CD1 4.19Å; F52-L60 HydrophobicContact CZ-CD2 3.64Å; F52-L60 HydrophobicContact CZ-CG 4.29Å; S56-L60 WeakPolarHBondContact O-CB 3.25Å; S56-L60 PolarHBondContact O-N 3.3Å; L57-L60 WeakPolarHBondContact O-CB 3.34Å; L57-L60 PolarHBondContact O-N 3.06Å; L60-A62 VanDerWaalsContact C-N 3.31Å; L60-A62 PolarHBondContact O-N 3.26Å; L60-R63 WeakPolarHBondContact O-CB 3.38Å; L60-R63 PolarHBondContact O-N 2.94Å; L60-R63 VanDerWaalsContact O-N 3.14Å; L60-F64 HydrophobicContact CD1-CD2 4.31Å; L60-F64 HydrophobicContact CD1-CE2 3.76Å; L60-F64 HydrophobicContact CG-CD2 4.04Å; L60-F64 HydrophobicContact CG-CE2 4.01Å; L60-F64 VanDerWaalsContact O-CD2 3.28Å; L60-F64 WeakPolarHBondContact O-CD2 3.28Å; L60-F64 PolarHBondContact O-N 3.18Å; L60-I72 HydrophobicContact CD2-CD1 4.14Å; L60-F107 HydrophobicContact CD1-CD1 4.4Å; L60-F107 HydrophobicContact CD2-CD1 3.85Å; L60-F107 HydrophobicContact CD2-CE1 3.44Å; L60-F107 VanDerWaalsContact CD2-CE1 3.44Å; L60-F107 HydrophobicContact CD2-CZ 4.3Å
61	K	92.4	Very high	90.9	Very high	6 Å²	6	62.7 Å²	62.7	3%	0.026	41%	0.407	C	S	.	.	H	α-helix	trans	-56.2	-47.7	177.7	-73.9	-173.8	-173	-167.9	0	110.1	E27 L57 A58 R63 F64 G65 L66 S67 A68 E70 I72	E27-K61 IonicContact OE1-NZ 3.03Å; E27-K61 IonicContact OE2-NZ 3.67Å; L57-K61 HydrophobicContact CD1-CG 4.49Å; L57-K61 WeakPolarHBondContact O-CG 3.44Å; L57-K61 PolarHBondContact O-N 2.98Å; A58-K61 PolarHBondContact O-N 3.44Å; K61-R63 PolarHBondContact O-N 2.93Å; K61-F64 CarbonylContact O-C 3.6Å; K61-F64 PolarHBondContact O-N 2.64Å; K61-G65 PolarHBondContact O-N 3.26Å; K61-G65 VanDerWaalsContact O-N 3.11Å; K61-L66 HydrophobicContact CB-CB 3.88Å; K61-L66 HydrophobicContact CG-CB 4.17Å; K61-L66 HydrophobicContact CG-CD1 4.4Å; K61-L66 WeakPolarHBondContact O-CB 3.48Å; K61-L66 PolarHBondContact O-N 3.36Å; K61-S67 WeakPolarHBondContact CD-O 3.48Å; K61-A68 PolarHBondContact NZ-O 3.3Å; K61-E70 VanDerWaalsContact CE-O 3.27Å; K61-E70 WeakPolarHBondContact CE-O 3.16Å; K61-E70 PolarHBondContact NZ-O 2.86Å; K61-I72 HydrophobicContact CG-CD1 4.3Å
62	A	93.9	Very high	90.8	Very high	72 Å²	72	59.5 Å²	59.5	60%	0.595	39%	0.385	S	S	*	.	H	α-helix	trans	-59.9	-42.6	175.8	0	0	0	0	0	113.2	A58 A59 L60 F64 G65	A58-A62 WeakPolarHBondContact O-CB 3.2Å; A58-A62 PolarHBondContact O-N 3.46Å; A59-A62 PolarHBondContact O-N 3.13Å; L60-A62 VanDerWaalsContact C-N 3.31Å; L60-A62 PolarHBondContact O-N 3.26Å; A62-F64 PolarHBondContact O-N 2.79Å; A62-G65 PolarHBondContact O-N 2.84Å; A62-G65 VanDerWaalsContact O-N 3.08Å
63	R	93.5	Very high	90.8	Very high	143 Å²	143	58.9 Å²	58.9	54%	0.54	38%	0.384	S	S	.	.	H	α-helix	trans	-58.4	-34.6	178.8	-176.5	172.1	74.1	-176.2	5.4	112.7	A59 L60 K61 A106	A59-R63 WeakPolarHBondContact O-CB 3.35Å; A59-R63 PolarHBondContact O-N 3.17Å; L60-R63 WeakPolarHBondContact O-CB 3.38Å; L60-R63 PolarHBondContact O-N 2.94Å; L60-R63 VanDerWaalsContact O-N 3.14Å; K61-R63 PolarHBondContact O-N 2.93Å; R63-A106 PolarHBondContact NH2-O 2.61Å
64	F	90.4	Very high	90.8	Very high	53 Å²	53	58.9 Å²	58.9	23%	0.232	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	10.9	179.2	-64.5	-73	0	0	0	113.7	L60 K61 A62 L66 A104 L105 A106	L60-F64 HydrophobicContact CD1-CD2 4.31Å; L60-F64 HydrophobicContact CD1-CE2 3.76Å; L60-F64 HydrophobicContact CG-CD2 4.04Å; L60-F64 HydrophobicContact CG-CE2 4.01Å; L60-F64 VanDerWaalsContact O-CD2 3.28Å; L60-F64 WeakPolarHBondContact O-CD2 3.28Å; L60-F64 PolarHBondContact O-N 3.18Å; K61-F64 CarbonylContact O-C 3.6Å; K61-F64 PolarHBondContact O-N 2.64Å; A62-F64 PolarHBondContact O-N 2.79Å; F64-L66 VanDerWaalsContact C-N 3.3Å; F64-L66 HydrophobicContact CB-CD1 4.41Å; F64-L66 HydrophobicContact CB-CD2 4.48Å; F64-L66 HydrophobicContact CB-CG 4.06Å; F64-L66 PolarHBondContact O-N 2.9Å; F64-A104 WeakPolarHBondContact CE1-O 3.44Å; F64-L105 HydrophobicContact CB-CD2 3.48Å; F64-L105 VanDerWaalsContact CB-CD2 3.48Å; F64-L105 HydrophobicContact CD1-CD2 3.61Å; F64-L105 HydrophobicContact CD2-CD2 3.8Å; F64-L105 HydrophobicContact CE1-CD2 4.27Å; F64-L105 HydrophobicContact CE2-CD2 4.43Å; F64-L105 HydrophobicContact CG-CD2 3.35Å; F64-A106 WeakPolarHBondContact CE2-O 3.46Å; F64-A106 HydrophobicContact CZ-CB 4.2Å; F64-A106 VanDerWaalsContact CZ-N 3.28Å; F64-A106 WeakPolarHBondContact CZ-O 3.45Å
65	G	91.4	Very high	90.9	Very high	69 Å²	69	56.8 Å²	56.8	71%	0.711	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	26.2	178.8	0	0	0	0	0	114.4	K61 A62	K61-G65 PolarHBondContact O-N 3.26Å; K61-G65 VanDerWaalsContact O-N 3.11Å; A62-G65 PolarHBondContact O-N 2.84Å; A62-G65 VanDerWaalsContact O-N 3.08Å
66	L	90.6	Very high	91.1	Very high	15 Å²	15	50.5 Å²	50.5	8%	0.079	33%	0.329	C	S	.	.			trans	-89	146.5	178.3	-46.9	-174.3	0	0	0	110.7	K61 F64 E70 R75 L105	K61-L66 HydrophobicContact CB-CB 3.88Å; K61-L66 HydrophobicContact CG-CB 4.17Å; K61-L66 HydrophobicContact CG-CD1 4.4Å; K61-L66 WeakPolarHBondContact O-CB 3.48Å; K61-L66 PolarHBondContact O-N 3.36Å; F64-L66 VanDerWaalsContact C-N 3.3Å; F64-L66 HydrophobicContact CB-CD1 4.41Å; F64-L66 HydrophobicContact CB-CD2 4.48Å; F64-L66 HydrophobicContact CB-CG 4.06Å; F64-L66 PolarHBondContact O-N 2.9Å; L66-E70 WeakPolarHBondContact CA-OE2 3.46Å; L66-E70 HydrophobicContact CB-CB 4.47Å; L66-E70 WeakPolarHBondContact CB-OE2 3.42Å; L66-R75 VanDerWaalsContact CD2-NH1 3.25Å; L66-L105 HydrophobicContact CD1-CD1 4.45Å; L66-L105 HydrophobicContact CD1-CD2 4.38Å
67	S	89.4	Confident	91.1	Very high	69 Å²	69	50.9 Å²	50.9	48%	0.483	32%	0.324	S	S	.	.			trans	-75	154	173.9	80.7	0	0	0	0	111	K61 A69 E70	K61-S67 WeakPolarHBondContact CD-O 3.48Å; S67-A69 PolarHBondContact O-N 2.89Å; S67-E70 PolarHBondContact N-OE2 2.81Å; S67-E70 VanDerWaalsContact O-CB 3.25Å; S67-E70 WeakPolarHBondContact O-CB 3.4Å; S67-E70 PolarHBondContact O-N 2.75Å; S67-E70 PolarHBondContact OG-N 2.95Å
68	A	85.2	Confident	91.3	Very high	83 Å²	83	51.2 Å²	51.2	69%	0.686	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-34.4	-178.8	0	0	0	0	0	113.4	K61 E70	K61-A68 PolarHBondContact NZ-O 3.3Å; A68-E70 VanDerWaalsContact C-N 3.33Å
69	A	85.4	Confident	91.4	Very high	89 Å²	89	48.8 Å²	48.8	74%	0.736	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-0.3	179.1	0	0	0	0	0	113.8	S67 D71	S67-A69 PolarHBondContact O-N 2.89Å; A69-D71 PolarHBondContact O-N 3.02Å
70	E	88.1	Confident	91.5	Very high	55 Å²	55	46.4 Å²	46.4	26%	0.257	29%	0.289	S	S	.	.			trans	-74.6	121.5	-179	-171.4	170.7	171.1	0	0	110.8	K61 L66 S67 A68 R75	K61-E70 VanDerWaalsContact CE-O 3.27Å; K61-E70 WeakPolarHBondContact CE-O 3.16Å; K61-E70 PolarHBondContact NZ-O 2.86Å; L66-E70 WeakPolarHBondContact CA-OE2 3.46Å; L66-E70 HydrophobicContact CB-CB 4.47Å; L66-E70 WeakPolarHBondContact CB-OE2 3.42Å; S67-E70 PolarHBondContact N-OE2 2.81Å; S67-E70 VanDerWaalsContact O-CB 3.25Å; S67-E70 WeakPolarHBondContact O-CB 3.4Å; S67-E70 PolarHBondContact O-N 2.75Å; S67-E70 PolarHBondContact OG-N 2.95Å; A68-E70 VanDerWaalsContact C-N 3.33Å; E70-R75 IonicContact OE1-CZ 2.93Å; E70-R75 VanDerWaalsContact OE1-CZ 3.28Å; E70-R75 IonicContact OE1-NE 3.28Å; E70-R75 PolarHBondContact OE1-NE 2.87Å; E70-R75 IonicContact OE1-NH2 2.61Å; E70-R75 PolarHBondContact OE1-NH2 3.03Å
71	D	88.3	Confident	91.6	Very high	57 Å²	57	52.5 Å²	52.5	31%	0.305	32%	0.317	S	S	.	.			trans	-74.6	130.3	174.7	-176.2	3.9	0	0	0	110.4	A69 T73 P74	A69-D71 PolarHBondContact O-N 3.02Å; D71-T73 WeakPolarHBondContact OD1-CB 3.37Å; D71-T73 PolarHBondContact OD1-N 2.93Å; D71-T73 PolarHBondContact OD1-OG1 3.39Å; D71-P74 HydrophobicContact CB-CG 4.48Å; D71-P74 VanDerWaalsContact CG-CD 3.49Å; D71-P74 WeakPolarHBondContact O-CD 3.43Å; D71-P74 WeakPolarHBondContact OD2-CD 3.17Å
72	I	90.8	Very high	91.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	34%	0.341	C	S	.	.	S	Bend	trans	-85.6	-22.3	179.1	-58.4	176.5	0	0	0	110.9	F37 L57 L60 K61 P74 R75 F76 F107	F37-I72 HydrophobicContact CD1-CB 4.25Å; F37-I72 HydrophobicContact CD1-CD1 4.06Å; F37-I72 HydrophobicContact CD2-CB 4.47Å; F37-I72 HydrophobicContact CE1-CB 3.76Å; F37-I72 HydrophobicContact CE1-CD1 3.98Å; F37-I72 HydrophobicContact CE1-CG1 4.43Å; F37-I72 HydrophobicContact CE1-CG2 3.7Å; F37-I72 HydrophobicContact CE2-CB 4Å; F37-I72 HydrophobicContact CE2-CG2 4.31Å; F37-I72 HydrophobicContact CZ-CB 3.62Å; F37-I72 HydrophobicContact CZ-CG2 3.51Å; L57-I72 HydrophobicContact CD1-CD1 3.73Å; L60-I72 HydrophobicContact CD2-CD1 4.14Å; K61-I72 HydrophobicContact CG-CD1 4.3Å; I72-P74 VanDerWaalsContact C-CD 3.48Å; I72-R75 WeakPolarHBondContact O-CB 3.49Å; I72-R75 PolarHBondContact O-N 3.35Å; I72-F76 PolarHBondContact O-N 2.84Å; I72-F107 HydrophobicContact CG2-CE1 4.34Å; I72-F107 HydrophobicContact CG2-CZ 3.91Å
73	T	92.3	Very high	91.7	Very high	19 Å²	19	59.8 Å²	59.8	12%	0.117	34%	0.339	C	S	.	.	H	α-helix	trans	-53	-43.1	-178	-52.7	0	0	0	0	113.5	P7 D71 R75 F76 R77	P7-T73 HydrophobicContact CG-CG2 3.94Å; D71-T73 WeakPolarHBondContact OD1-CB 3.37Å; D71-T73 PolarHBondContact OD1-N 2.93Å; D71-T73 PolarHBondContact OD1-OG1 3.39Å; T73-R75 VanDerWaalsContact C-N 3.35Å; T73-R75 PolarHBondContact O-N 3.01Å; T73-F76 PolarHBondContact O-N 3.31Å; T73-R77 WeakPolarHBondContact O-CB 3.34Å; T73-R77 PolarHBondContact O-N 3.49Å
74	P	91.3	Very high	91.8	Very high	73 Å²	73	54.1 Å²	54.1	47%	0.474	32%	0.322	S	S	.	.	H	α-helix	trans	-64.3	-36.8	177.5	-22.9	35.3	0	0	0	113	D71 I72 R77 A78	D71-P74 HydrophobicContact CB-CG 4.48Å; D71-P74 VanDerWaalsContact CG-CD 3.49Å; D71-P74 WeakPolarHBondContact O-CD 3.43Å; D71-P74 WeakPolarHBondContact OD2-CD 3.17Å; I72-P74 VanDerWaalsContact C-CD 3.48Å; P74-R77 PolarHBondContact O-N 3.28Å; P74-A78 WeakPolarHBondContact O-CB 3.48Å; P74-A78 PolarHBondContact O-N 2.87Å
75	R	92.1	Very high	92.2	Very high	66 Å²	66	52.1 Å²	52.1	25%	0.249	31%	0.314	C	S	.	.	H	α-helix	trans	-68.7	-40.7	177	-66	-174	-178.4	-156.1	1.6	111.3	L66 E70 I72 T73 A78 A79 L105	L66-R75 VanDerWaalsContact CD2-NH1 3.25Å; E70-R75 IonicContact OE1-CZ 2.93Å; E70-R75 VanDerWaalsContact OE1-CZ 3.28Å; E70-R75 IonicContact OE1-NE 3.28Å; E70-R75 PolarHBondContact OE1-NE 2.87Å; E70-R75 IonicContact OE1-NH2 2.61Å; E70-R75 PolarHBondContact OE1-NH2 3.03Å; I72-R75 WeakPolarHBondContact O-CB 3.49Å; I72-R75 PolarHBondContact O-N 3.35Å; T73-R75 VanDerWaalsContact C-N 3.35Å; T73-R75 PolarHBondContact O-N 3.01Å; R75-A78 PolarHBondContact O-N 3.09Å; R75-A79 PolarHBondContact O-N 3.11Å; R75-L105 HydrophobicContact CB-CD1 4.47Å
76	F	94.6	Very high	92.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.5	-43.6	174	177.7	-115.5	0	0	0	111.9	P7 C22 C24 L39 I72 T73 A78 A79 C80 L98	P7-F76 HydrophobicContact CB-CD1 4.18Å; P7-F76 HydrophobicContact CB-CE1 4.31Å; P7-F76 HydrophobicContact CG-CD1 3.73Å; P7-F76 HydrophobicContact CG-CE1 4.1Å; C22-F76 HydrophobicContact CB-CE2 4.31Å; C22-F76 HydrophobicContact CB-CZ 4.13Å; C24-F76 HydrophobicContact CB-CD1 3.77Å; C24-F76 HydrophobicContact CB-CE1 3.94Å; L39-F76 HydrophobicContact CD2-CB 4.38Å; L39-F76 HydrophobicContact CD2-CD1 3.91Å; L39-F76 HydrophobicContact CD2-CD2 3.59Å; L39-F76 HydrophobicContact CD2-CE1 4.06Å; L39-F76 HydrophobicContact CD2-CE2 3.75Å; L39-F76 HydrophobicContact CD2-CG 3.68Å; L39-F76 HydrophobicContact CD2-CZ 3.98Å; I72-F76 PolarHBondContact O-N 2.84Å; T73-F76 PolarHBondContact O-N 3.31Å; F76-A78 PolarHBondContact O-N 2.93Å; F76-A79 PolarHBondContact O-N 3.26Å; F76-C80 VanDerWaalsContact CE2-SG 3.54Å; F76-C80 WeakPolarHBondContact CZ-SG 3.23Å; F76-C80 PolarHBondContact O-N 3.21Å; F76-C80 PolarHBondContact O-SG 3.44Å; F76-L98 HydrophobicContact CB-CD1 4.04Å; F76-L98 HydrophobicContact CD2-CD1 4Å; F76-L98 HydrophobicContact CD2-CD2 3.69Å; F76-L98 HydrophobicContact CE2-CD2 4.19Å
77	R	93.8	Very high	92.8	Very high	54 Å²	54	52.4 Å²	52.4	20%	0.204	31%	0.307	C	S	.	.	H	α-helix	trans	-55.3	-50.3	173.2	178.7	-180	-57.8	-76.7	-0.9	111.9	S5 P7 T73 P74 A79 C80 E81	S5-R77 PolarHBondContact O-NH1 3.43Å; S5-R77 PolarHBondContact O-NH2 3.41Å; P7-R77 HydrophobicContact CB-CB 3.8Å; P7-R77 HydrophobicContact CB-CG 4.13Å; P7-R77 HydrophobicContact CG-CB 4.22Å; T73-R77 WeakPolarHBondContact O-CB 3.34Å; T73-R77 PolarHBondContact O-N 3.49Å; P74-R77 PolarHBondContact O-N 3.28Å; R77-A79 VanDerWaalsContact C-N 3.32Å; R77-A79 PolarHBondContact O-N 2.86Å; R77-C80 WeakPolarHBondContact O-CB 3.28Å; R77-C80 PolarHBondContact O-N 2.85Å; R77-E81 HydrophobicContact CG-CG 4.48Å; R77-E81 WeakPolarHBondContact CG-OE1 3.39Å; R77-E81 WeakPolarHBondContact O-CG 3.34Å; R77-E81 PolarHBondContact O-N 3.45Å
78	A	94.1	Very high	93.1	Very high	27 Å²	27	52.9 Å²	52.9	22%	0.223	31%	0.307	C	S	.	.	H	α-helix	trans	-60	-41.9	178.8	0	0	0	0	0	112	P74 R75 F76 E81 Q82	P74-A78 WeakPolarHBondContact O-CB 3.48Å; P74-A78 PolarHBondContact O-N 2.87Å; R75-A78 PolarHBondContact O-N 3.09Å; F76-A78 PolarHBondContact O-N 2.93Å; A78-E81 PolarHBondContact O-N 3.34Å; A78-Q82 WeakPolarHBondContact O-CB 3.29Å; A78-Q82 VanDerWaalsContact O-CG 3.24Å; A78-Q82 WeakPolarHBondContact O-CG 3.42Å; A78-Q82 PolarHBondContact O-N 3.05Å
79	A	95.7	Very high	93.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.1	-39.8	176	0	0	0	0	0	112.5	R75 F76 R77 Q82 Q83 A84 V85 L98	R75-A79 PolarHBondContact O-N 3.11Å; F76-A79 PolarHBondContact O-N 3.26Å; R77-A79 VanDerWaalsContact C-N 3.32Å; R77-A79 PolarHBondContact O-N 2.86Å; A79-Q82 PolarHBondContact O-N 3.45Å; A79-Q83 CarbonylContact O-C 3.54Å; A79-Q83 PolarHBondContact O-N 3.19Å; A79-A84 PolarHBondContact O-N 3.05Å; A79-V85 HydrophobicContact CB-CG2 3.85Å; A79-L98 HydrophobicContact CB-CB 4.04Å; A79-L98 HydrophobicContact CB-CD2 4.1Å
80	C	95.2	Very high	93.7	Very high	12 Å²	12	54.2 Å²	54.2	8%	0.081	29%	0.286	C	S	.	.	H	α-helix	trans	-61.9	-46.7	174.2	-71.9	0	0	0	0	112.1	C9 F76 R77 Q82 Q83	C9-C80 HydrophobicContact CB-CB 3.79Å; C9-C80 PolarHBondContact SG-SG 3.42Å; F76-C80 VanDerWaalsContact CE2-SG 3.54Å; F76-C80 WeakPolarHBondContact CZ-SG 3.23Å; F76-C80 PolarHBondContact O-N 3.21Å; F76-C80 PolarHBondContact O-SG 3.44Å; R77-C80 WeakPolarHBondContact O-CB 3.28Å; R77-C80 PolarHBondContact O-N 2.85Å; C80-Q82 VanDerWaalsContact C-N 3.29Å; C80-Q82 PolarHBondContact O-N 3.45Å; C80-Q83 PolarHBondContact O-N 3.39Å
81	E	94.3	Very high	93.3	Very high	140 Å²	140	61 Å²	61	65%	0.654	32%	0.317	S	S	*	.	H	α-helix	trans	-63.8	-35.2	179.8	-72.3	169.2	-173.3	0	0	112.2	R77 A78	R77-E81 HydrophobicContact CG-CG 4.48Å; R77-E81 WeakPolarHBondContact CG-OE1 3.39Å; R77-E81 WeakPolarHBondContact O-CG 3.34Å; R77-E81 PolarHBondContact O-N 3.45Å; A78-E81 PolarHBondContact O-N 3.34Å
82	Q	94.8	Very high	93.2	Very high	117 Å²	117	63.1 Å²	63.1	55%	0.547	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-2.3	178.7	-64.5	169.9	17.6	0	0	113.7	A78 A79 C80 A84 G100	A78-Q82 WeakPolarHBondContact O-CB 3.29Å; A78-Q82 VanDerWaalsContact O-CG 3.24Å; A78-Q82 WeakPolarHBondContact O-CG 3.42Å; A78-Q82 PolarHBondContact O-N 3.05Å; A79-Q82 PolarHBondContact O-N 3.45Å; C80-Q82 VanDerWaalsContact C-N 3.29Å; C80-Q82 PolarHBondContact O-N 3.45Å; Q82-A84 HydrophobicContact CB-CB 4.09Å; Q82-A84 PolarHBondContact O-N 3.47Å; Q82-G100 PolarHBondContact OE1-O 2.81Å
83	Q	94.7	Very high	93.3	Very high	114 Å²	114	71.2 Å²	71.2	53%	0.533	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	31.8	-170.1	-57.4	-175.6	-58.5	0	0	113.4	P13 A79 C80 V85	P13-Q83 HydrophobicContact CB-CB 4.01Å; P13-Q83 HydrophobicContact CB-CG 4.26Å; A79-Q83 CarbonylContact O-C 3.54Å; A79-Q83 PolarHBondContact O-N 3.19Å; C80-Q83 PolarHBondContact O-N 3.39Å; Q83-V85 VanDerWaalsContact C-N 3.28Å; Q83-V85 PolarHBondContact O-N 3.27Å
84	A	96.1	Very high	93.5	Very high	24 Å²	24	70.4 Å²	70.4	20%	0.198	36%	0.355	C	S	.	.			trans	-94.6	41	-177.5	0	0	0	0	0	111.8	A79 Q82 S99	A79-A84 PolarHBondContact O-N 3.05Å; Q82-A84 HydrophobicContact CB-CB 4.09Å; Q82-A84 PolarHBondContact O-N 3.47Å; A84-S99 PolarHBondContact O-N 2.89Å
85	V	97.4	Very high	93.7	Very high	11 Å²	11	68.3 Å²	68.3	7%	0.067	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	121	-179.2	-178.2	0	0	0	0	109.1	L11 A79 Q83 L96 T97 L98	L11-V85 HydrophobicContact CD1-CG1 4.36Å; L11-V85 HydrophobicContact CD2-CB 4.48Å; L11-V85 WeakPolarHBondContact CD2-O 3.43Å; A79-V85 HydrophobicContact CB-CG2 3.85Å; Q83-V85 VanDerWaalsContact C-N 3.28Å; Q83-V85 PolarHBondContact O-N 3.27Å; V85-L96 HydrophobicContact CG1-CD1 3.47Å; V85-L96 VanDerWaalsContact CG1-CD1 3.47Å; V85-L96 HydrophobicContact CG1-CD2 4.5Å; V85-L96 HydrophobicContact CG1-CG 4.04Å; V85-T97 WeakPolarHBondContact CA-O 3.43Å; V85-L98 HydrophobicContact CG1-CD2 4.25Å; V85-L98 HydrophobicContact CG2-CD2 3.97Å
86	A	96.9	Very high	94	Very high	52 Å²	52	65.1 Å²	65.1	43%	0.43	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.6	176.1	0	0	0	0	0	110.3	L96 T97	A86-L96 CarbonylContact O-C 3.5Å; A86-L96 WeakPolarHBondContact O-CA 3.28Å; A86-T97 PolarHBondContact N-O 2.96Å; A86-T97 PolarHBondContact O-N 3.36Å
87	L	97.5	Very high	94.1	Very high	38 Å²	38	67.1 Å²	67.1	20%	0.199	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.8	179.2	177.3	65.4	0	0	0	109.7	L11 F20 V41 L89 A94 L96	L11-L87 HydrophobicContact CD1-CB 3.54Å; L11-L87 HydrophobicContact CD1-CD2 4.19Å; F20-L87 HydrophobicContact CB-CD2 4.1Å; F20-L87 HydrophobicContact CD1-CD2 3.9Å; F20-L87 HydrophobicContact CD2-CD2 3.86Å; F20-L87 HydrophobicContact CE1-CD2 4.28Å; F20-L87 HydrophobicContact CE2-CD2 4.24Å; F20-L87 HydrophobicContact CG-CD2 3.68Å; F20-L87 HydrophobicContact CZ-CD2 4.44Å; V41-L87 HydrophobicContact CG1-CD1 4Å; V41-L87 HydrophobicContact CG1-CD2 3.7Å; V41-L87 HydrophobicContact CG2-CD1 4.25Å; L87-L89 HydrophobicContact CD1-CD1 4.29Å; L87-L89 HydrophobicContact CD2-CD1 3.93Å; L87-L89 HydrophobicContact CG-CD1 4.21Å; L87-A94 HydrophobicContact CD1-CB 4.17Å; L87-L96 HydrophobicContact CB-CD1 4.28Å; L87-L96 HydrophobicContact CD1-CD1 4.09Å
88	T	96.4	Very high	94.2	Very high	80 Å²	80	64.8 Å²	64.8	49%	0.491	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.6	168.3	54.1	0	0	0	0	108.5	A94 S95	T88-A94 CarbonylContact O-C 3.59Å; T88-A94 VanDerWaalsContact O-CA 3.25Å; T88-A94 WeakPolarHBondContact O-CA 3.43Å; T88-S95 PolarHBondContact N-O 2.97Å; T88-S95 PolarHBondContact O-N 3.44Å; T88-S95 WeakPolarHBondContact OG1-CB 3.48Å; T88-S95 PolarHBondContact OG1-O 2.66Å
89	L	94	Very high	94.1	Very high	76 Å²	76	66.8 Å²	66.8	40%	0.398	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.5	-175.6	-135	116.1	0	0	0	109.5	F20 W48 L87 A94	F20-L89 HydrophobicContact CD1-CD1 4.47Å; F20-L89 HydrophobicContact CE1-CD1 3.8Å; F20-L89 HydrophobicContact CZ-CD1 4.17Å; W48-L89 HydrophobicContact CH2-CD1 4.46Å; W48-L89 HydrophobicContact CH2-CD2 3.97Å; W48-L89 HydrophobicContact CZ2-CD2 3.77Å; W48-L89 HydrophobicContact CZ2-CG 4.5Å; W48-L89 HydrophobicContact CZ3-CD1 4.47Å; L87-L89 HydrophobicContact CD1-CD1 4.29Å; L87-L89 HydrophobicContact CD2-CD1 3.93Å; L87-L89 HydrophobicContact CG-CD1 4.21Å; L89-A94 HydrophobicContact CD1-CB 4.27Å; L89-A94 HydrophobicContact CG-CB 4.29Å
90	Q	90.1	Very high	93.2	Very high	124 Å²	124	67.6 Å²	67.6	58%	0.579	35%	0.354	S	S	*	.			trans	-122.4	171.8	170.5	-56.9	179.6	30.9	0	0	107.6	D92 R93	Q90-D92 VanDerWaalsContact C-N 3.32Å; Q90-D92 PolarHBondContact O-N 2.97Å; Q90-R93 CarbonylContact C-O 3.56Å; Q90-R93 WeakPolarHBondContact CA-O 3.43Å; Q90-R93 WeakPolarHBondContact CB-O 3.34Å; Q90-R93 PolarHBondContact N-O 3.33Å; Q90-R93 VanDerWaalsContact O-O 3.07Å
91	E	79.5	Confident	92.3	Very high	196 Å²	196	69 Å²	69	92%	0.916	37%	0.37	S	S	*	.	S	Bend	trans	-51.9	-44	-172.6	-84	177.8	158.2	0	0	114.5
92	D	85.6	Confident	91.6	Very high	102 Å²	102	68.3 Å²	68.3	55%	0.545	38%	0.378	S	S	.	.	S	Bend	trans	-124.1	2.3	-177.6	-165.1	35.5	0	0	0	113.7	Q90 K111	Q90-D92 VanDerWaalsContact C-N 3.32Å; Q90-D92 PolarHBondContact O-N 2.97Å; D92-K111 WeakPolarHBondContact OD1-CB 3.49Å
93	R	92.6	Very high	91.2	Very high	171 Å²	171	66.2 Å²	66.2	65%	0.645	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.2	146.5	-175.9	-64.8	-174.5	-178.9	-171	0.1	110.5	Q90 L109	Q90-R93 CarbonylContact C-O 3.56Å; Q90-R93 WeakPolarHBondContact CA-O 3.43Å; Q90-R93 WeakPolarHBondContact CB-O 3.34Å; Q90-R93 PolarHBondContact N-O 3.33Å; Q90-R93 VanDerWaalsContact O-O 3.07Å; R93-L109 WeakPolarHBondContact CA-O 3.26Å
94	A	96.3	Very high	91.1	Very high	2 Å²	2	63.4 Å²	63.4	2%	0.017	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	151.4	167.3	0	0	0	0	0	109.5	W48 L87 T88 L89 L109	W48-A94 HydrophobicContact CG-CB 4.27Å; L87-A94 HydrophobicContact CD1-CB 4.17Å; T88-A94 CarbonylContact O-C 3.59Å; T88-A94 VanDerWaalsContact O-CA 3.25Å; T88-A94 WeakPolarHBondContact O-CA 3.43Å; L89-A94 HydrophobicContact CD1-CB 4.27Å; L89-A94 HydrophobicContact CG-CB 4.29Å; A94-L109 HydrophobicContact CB-CB 4.2Å; A94-L109 PolarHBondContact N-O 3.49Å; A94-L109 WeakPolarHBondContact O-CA 3.33Å; A94-L109 PolarHBondContact O-N 2.79Å
95	S	97.1	Very high	91.1	Very high	28 Å²	28	62.5 Å²	62.5	20%	0.196	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	129.1	168.9	-55.3	0	0	0	0	109.5	T88 F107 D108	T88-S95 PolarHBondContact N-O 2.97Å; T88-S95 PolarHBondContact O-N 3.44Å; T88-S95 WeakPolarHBondContact OG1-CB 3.48Å; T88-S95 PolarHBondContact OG1-O 2.66Å; S95-F107 CarbonylContact C-O 3.58Å; S95-F107 WeakPolarHBondContact CA-O 3.44Å; S95-D108 PolarHBondContact OG-OD1 2.96Å
96	L	97.7	Very high	91	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.7	179.5	-167.2	73.7	0	0	0	108.9	L39 V41 V85 A86 L87 L98 F107 L109	L39-L96 HydrophobicContact CD1-CD2 4.36Å; V41-L96 HydrophobicContact CG2-CD1 4.03Å; V41-L96 HydrophobicContact CG2-CD2 4.23Å; V85-L96 HydrophobicContact CG1-CD1 3.47Å; V85-L96 VanDerWaalsContact CG1-CD1 3.47Å; V85-L96 HydrophobicContact CG1-CD2 4.5Å; V85-L96 HydrophobicContact CG1-CG 4.04Å; A86-L96 CarbonylContact O-C 3.5Å; A86-L96 WeakPolarHBondContact O-CA 3.28Å; L87-L96 HydrophobicContact CB-CD1 4.28Å; L87-L96 HydrophobicContact CD1-CD1 4.09Å; L96-L98 HydrophobicContact CD2-CD2 4.34Å; L96-L98 HydrophobicContact CG-CD2 4.45Å; L96-F107 HydrophobicContact CB-CB 4.43Å; L96-F107 PolarHBondContact N-O 3.36Å; L96-F107 WeakPolarHBondContact O-CD2 3.48Å; L96-F107 PolarHBondContact O-N 2.81Å; L96-L109 HydrophobicContact CB-CD1 3.62Å
97	T	97.3	Very high	91	Very high	41 Å²	41	61.2 Å²	61.2	25%	0.252	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.7	179.2	-55.2	0	0	0	0	110.6	V85 A86 A104 L105	V85-T97 WeakPolarHBondContact CA-O 3.43Å; A86-T97 PolarHBondContact N-O 2.96Å; A86-T97 PolarHBondContact O-N 3.36Å; T97-A104 HydrophobicContact CG2-CB 4.24Å; T97-L105 CarbonylContact C-O 3.49Å; T97-L105 VanDerWaalsContact CA-O 3.32Å; T97-L105 WeakPolarHBondContact CA-O 3.42Å
98	L	96.1	Very high	91	Very high	5 Å²	5	64.2 Å²	64.2	3%	0.026	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	117.8	177.1	-50	-178.4	0	0	0	109.3	F76 A79 V85 L96 A104 L105 F107	F76-L98 HydrophobicContact CB-CD1 4.04Å; F76-L98 HydrophobicContact CD2-CD1 4Å; F76-L98 HydrophobicContact CD2-CD2 3.69Å; F76-L98 HydrophobicContact CE2-CD2 4.19Å; A79-L98 HydrophobicContact CB-CB 4.04Å; A79-L98 HydrophobicContact CB-CD2 4.1Å; V85-L98 HydrophobicContact CG1-CD2 4.25Å; V85-L98 HydrophobicContact CG2-CD2 3.97Å; L96-L98 HydrophobicContact CD2-CD2 4.34Å; L96-L98 HydrophobicContact CG-CD2 4.45Å; L98-A104 VanDerWaalsContact O-CA 3.3Å; L98-A104 WeakPolarHBondContact O-CA 3.2Å; L98-L105 HydrophobicContact CB-CB 4.39Å; L98-L105 PolarHBondContact N-O 3.48Å; L98-L105 PolarHBondContact O-N 3.23Å; L98-F107 HydrophobicContact CD1-CD2 4.4Å; L98-F107 HydrophobicContact CD1-CE2 3.5Å; L98-F107 VanDerWaalsContact CD1-CE2 3.5Å; L98-F107 HydrophobicContact CD1-CZ 4.04Å; L98-F107 HydrophobicContact CG-CD2 4.28Å; L98-F107 HydrophobicContact CG-CE2 3.74Å
99	S	90.9	Very high	91.1	Very high	69 Å²	69	60.7 Å²	60.7	48%	0.483	35%	0.35	S	S	.	.			trans	-113.9	15.1	-174.5	-53.5	0	0	0	0	113.9	A84	A84-S99 PolarHBondContact O-N 2.89Å
100	G	75.9	Confident	91.2	Very high	18 Å²	18	59.5 Å²	59.5	19%	0.186	35%	0.347	C	S	.	.	S	Bend	trans	-87.4	2.3	-177.5	0	0	0	0	0	116	Q82	Q82-G100 PolarHBondContact OE1-O 2.81Å
101	G	77.7	Confident	91.5	Very high	40 Å²	40	57.2 Å²	57.2	41%	0.412	34%	0.336	S	S	.	.	S	Bend	trans	-119.9	-176.2	-175.9	0	0	0	0	0	113.5	S103	G101-S103 PolarHBondContact O-N 3.08Å
102	P	79.3	Confident	92.3	Very high	127 Å²	127	48.3 Å²	48.3	83%	0.825	30%	0.295	S	S	*	.	S	Bend	trans	-64	-28	-179.7	26.6	-34.6	0	0	0	112.9
103	S	87.1	Confident	92.7	Very high	72 Å²	72	47.3 Å²	47.3	50%	0.503	29%	0.294	S	S	.	.	S	Bend	trans	-132.7	137.4	176.9	-55.1	0	0	0	0	109.6	G101	G101-S103 PolarHBondContact O-N 3.08Å
104	A	92.8	Very high	92.8	Very high	56 Å²	56	41.7 Å²	41.7	46%	0.463	29%	0.289	S	S	.	.			trans	-67.4	133.6	175.1	0	0	0	0	0	110.7	F64 T97 L98	F64-A104 WeakPolarHBondContact CE1-O 3.44Å; T97-A104 HydrophobicContact CG2-CB 4.24Å; L98-A104 VanDerWaalsContact O-CA 3.3Å; L98-A104 WeakPolarHBondContact O-CA 3.2Å
105	L	94.9	Very high	92.6	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.021	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	121.5	174.8	-61.9	-179.2	0	0	0	109.2	F64 L66 R75 T97 L98 F107	F64-L105 HydrophobicContact CB-CD2 3.48Å; F64-L105 VanDerWaalsContact CB-CD2 3.48Å; F64-L105 HydrophobicContact CD1-CD2 3.61Å; F64-L105 HydrophobicContact CD2-CD2 3.8Å; F64-L105 HydrophobicContact CE1-CD2 4.27Å; F64-L105 HydrophobicContact CE2-CD2 4.43Å; F64-L105 HydrophobicContact CG-CD2 3.35Å; L66-L105 HydrophobicContact CD1-CD1 4.45Å; L66-L105 HydrophobicContact CD1-CD2 4.38Å; R75-L105 HydrophobicContact CB-CD1 4.47Å; T97-L105 CarbonylContact C-O 3.49Å; T97-L105 VanDerWaalsContact CA-O 3.32Å; T97-L105 WeakPolarHBondContact CA-O 3.42Å; L98-L105 HydrophobicContact CB-CB 4.39Å; L98-L105 PolarHBondContact N-O 3.48Å; L98-L105 PolarHBondContact O-N 3.23Å; L105-F107 HydrophobicContact CB-CD2 4.45Å; L105-F107 HydrophobicContact CB-CE2 3.51Å; L105-F107 HydrophobicContact CB-CZ 3.93Å; L105-F107 HydrophobicContact CD1-CE2 4.49Å; L105-F107 HydrophobicContact CD1-CZ 4.2Å
106	A	96	Very high	92.5	Very high	37 Å²	37	49.7 Å²	49.7	31%	0.306	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	131.3	176.7	0	0	0	0	0	110.8	R63 F64	R63-A106 PolarHBondContact NH2-O 2.61Å; F64-A106 WeakPolarHBondContact CE2-O 3.46Å; F64-A106 HydrophobicContact CZ-CB 4.2Å; F64-A106 VanDerWaalsContact CZ-N 3.28Å; F64-A106 WeakPolarHBondContact CZ-O 3.45Å
107	F	96.9	Very high	92.4	Very high	0 Å²	0	50 Å²	50	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	136.6	-177.4	-59.6	-96.1	0	0	0	109.4	L39 T50 F52 L60 I72 S95 L96 L98 L105 L109	L39-F107 HydrophobicContact CD1-CD1 3.61Å; L39-F107 HydrophobicContact CD1-CD2 3.84Å; L39-F107 HydrophobicContact CD1-CE1 3.61Å; L39-F107 HydrophobicContact CD1-CE2 3.87Å; L39-F107 HydrophobicContact CD1-CG 3.73Å; L39-F107 HydrophobicContact CD1-CZ 3.76Å; T50-F107 HydrophobicContact CG2-CB 4.06Å; T50-F107 HydrophobicContact CG2-CD1 4.16Å; F52-F107 HydrophobicContact CE2-CD1 4.03Å; F52-F107 HydrophobicContact CE2-CE1 4.31Å; F52-F107 AromaticContact CZ-CD1 3.87Å; F52-F107 HydrophobicContact CZ-CD1 3.87Å; F52-F107 HydrophobicContact CZ-CE1 4.34Å; L60-F107 HydrophobicContact CD1-CD1 4.4Å; L60-F107 HydrophobicContact CD2-CD1 3.85Å; L60-F107 HydrophobicContact CD2-CE1 3.44Å; L60-F107 VanDerWaalsContact CD2-CE1 3.44Å; L60-F107 HydrophobicContact CD2-CZ 4.3Å; I72-F107 HydrophobicContact CG2-CE1 4.34Å; I72-F107 HydrophobicContact CG2-CZ 3.91Å; S95-F107 CarbonylContact C-O 3.58Å; S95-F107 WeakPolarHBondContact CA-O 3.44Å; L96-F107 HydrophobicContact CB-CB 4.43Å; L96-F107 PolarHBondContact N-O 3.36Å; L96-F107 WeakPolarHBondContact O-CD2 3.48Å; L96-F107 PolarHBondContact O-N 2.81Å; L98-F107 HydrophobicContact CD1-CD2 4.4Å; L98-F107 HydrophobicContact CD1-CE2 3.5Å; L98-F107 VanDerWaalsContact CD1-CE2 3.5Å; L98-F107 HydrophobicContact CD1-CZ 4.04Å; L98-F107 HydrophobicContact CG-CD2 4.28Å; L98-F107 HydrophobicContact CG-CE2 3.74Å; L105-F107 HydrophobicContact CB-CD2 4.45Å; L105-F107 HydrophobicContact CB-CE2 3.51Å; L105-F107 HydrophobicContact CB-CZ 3.93Å; L105-F107 HydrophobicContact CD1-CE2 4.49Å; L105-F107 HydrophobicContact CD1-CZ 4.2Å; F107-L109 HydrophobicContact CB-CD1 4.24Å
108	D	96.8	Very high	92.3	Very high	101 Å²	101	50.9 Å²	50.9	54%	0.54	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	134	171.2	-60.3	-57.3	0	0	0	108.5	S95	S95-D108 PolarHBondContact OG-OD1 2.96Å
109	L	97.8	Very high	92.3	Very high	6 Å²	6	54.3 Å²	54.3	3%	0.031	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.1	-178.8	-60.3	86.5	0	0	0	109.8	V41 W48 S49 T50 R93 A94 L96 F107	V41-L109 HydrophobicContact CB-CD2 4.24Å; V41-L109 HydrophobicContact CG2-CD2 3.73Å; W48-L109 HydrophobicContact CB-CB 3.99Å; W48-L109 HydrophobicContact CB-CD2 4.17Å; S49-L109 CarbonylContact O-C 3.57Å; S49-L109 VanDerWaalsContact O-CA 3.26Å; S49-L109 WeakPolarHBondContact O-CA 3.26Å; T50-L109 HydrophobicContact CG2-CG 4.09Å; R93-L109 WeakPolarHBondContact CA-O 3.26Å; A94-L109 HydrophobicContact CB-CB 4.2Å; A94-L109 PolarHBondContact N-O 3.49Å; A94-L109 WeakPolarHBondContact O-CA 3.33Å; A94-L109 PolarHBondContact O-N 2.79Å; L96-L109 HydrophobicContact CB-CD1 3.62Å; F107-L109 HydrophobicContact CB-CD1 4.24Å
110	S	96.5	Very high	92.5	Very high	50 Å²	50	54.4 Å²	54.4	35%	0.35	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	154.5	174.8	54.9	0	0	0	0	110.6	W48 S49 C51 V112	W48-S110 WeakPolarHBondContact CA-O 3.26Å; S49-S110 PolarHBondContact N-O 3.35Å; S49-S110 PolarHBondContact O-N 2.91Å; C51-S110 PolarHBondContact SG-OG 2.97Å; C51-S110 VanDerWaalsContact SG-OG 3.36Å; S110-V112 PolarHBondContact O-N 3.35Å
111	K	96.7	Very high	93.5	Very high	77 Å²	77	54.5 Å²	54.5	34%	0.335	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	132	177.5	-165.7	169.8	-174.8	160.8	0	111.4	E46 D92	E46-K111 VanDerWaalsContact CD-CE 3.46Å; E46-K111 WeakPolarHBondContact OE1-CE 3.45Å; E46-K111 IonicContact OE1-NZ 3.81Å; E46-K111 PolarHBondContact OE1-NZ 3.24Å; E46-K111 WeakPolarHBondContact OE2-CE 3.41Å; E46-K111 IonicContact OE2-NZ 3.91Å; E46-K111 PolarHBondContact OE2-NZ 2.86Å; D92-K111 WeakPolarHBondContact OD1-CB 3.49Å
112	V	95.8	Very high	94.5	Very high	9 Å²	9	58.7 Å²	58.7	6%	0.055	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-81.4	137.1	175.9	-179.4	0	0	0	0	109.1	L47 S110 E116 A117	L47-V112 HydrophobicContact CB-CB 4.21Å; L47-V112 HydrophobicContact CB-CG2 4.37Å; L47-V112 HydrophobicContact CD2-CB 4.17Å; L47-V112 HydrophobicContact CD2-CG1 4.25Å; L47-V112 HydrophobicContact CD2-CG2 4.03Å; L47-V112 HydrophobicContact CG-CB 4.21Å; L47-V112 HydrophobicContact CG-CG2 3.91Å; L47-V112 WeakPolarHBondContact O-CB 3.4Å; L47-V112 PolarHBondContact O-N 2.97Å; S110-V112 PolarHBondContact O-N 3.35Å; V112-E116 HydrophobicContact CG1-CB 3.95Å; V112-E116 HydrophobicContact CG1-CG 3.95Å; V112-A117 HydrophobicContact CB-CB 4.29Å; V112-A117 HydrophobicContact CG1-CB 4.17Å
113	P	95.4	Very high	95.3	Very high	81 Å²	81	55.7 Å²	55.7	53%	0.526	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-57	140.3	178	-26.1	35.3	0	0	0	112.9	E116 A117	P113-E116 PolarHBondContact O-N 3.49Å; P113-A117 WeakPolarHBondContact O-CB 3.41Å; P113-A117 PolarHBondContact O-N 2.83Å
114	G	93.4	Very high	95.7	Very high	52 Å²	52	53.6 Å²	53.6	54%	0.536	33%	0.334	S	S	.	.	H	α-helix	trans	-48	-47.4	-173.7	0	0	0	0	0	115.9	E116 A117 A118	G114-E116 PolarHBondContact O-N 3.48Å; G114-A117 PolarHBondContact O-N 2.91Å; G114-A118 WeakPolarHBondContact O-CB 3.47Å; G114-A118 PolarHBondContact O-N 3.46Å
115	P	93.3	Very high	96	Very high	110 Å²	110	55.4 Å²	55.4	71%	0.714	34%	0.339	S	S	*	.	H	α-helix	trans	-61	-41.2	178.9	-25.2	35.1	0	0	0	113.5
116	E	93.3	Very high	96.1	Very high	89 Å²	89	60.6 Å²	60.6	42%	0.416	37%	0.367	S	S	.	.	H	α-helix	trans	-72.5	-43.8	177.5	-175.7	-177.3	171.5	0	0	111.1	V112 P113 G114 A118 S119 R120	V112-E116 HydrophobicContact CG1-CB 3.95Å; V112-E116 HydrophobicContact CG1-CG 3.95Å; P113-E116 PolarHBondContact O-N 3.49Å; G114-E116 PolarHBondContact O-N 3.48Å; E116-A118 VanDerWaalsContact C-N 3.33Å; E116-A118 PolarHBondContact O-N 3.04Å; E116-S119 PolarHBondContact O-N 2.8Å; E116-R120 WeakPolarHBondContact O-CG 3.42Å; E116-R120 PolarHBondContact O-N 3.09Å; E116-R120 VanDerWaalsContact O-N 3.11Å; E116-R120 IonicContact OE1-CZ 3.33Å; E116-R120 IonicContact OE1-NE 2.66Å; E116-R120 PolarHBondContact OE1-NE 3.25Å; E116-R120 IonicContact OE1-NH2 2.89Å; E116-R120 PolarHBondContact OE1-NH2 3.49Å
117	A	95.6	Very high	96.1	Very high	6 Å²	6	60.3 Å²	60.3	5%	0.05	37%	0.367	C	S	.	.	H	α-helix	trans	-57.6	-45.7	177.8	0	0	0	0	0	111.3	L47 V112 P113 G114 S119 R120 L121	L47-A117 HydrophobicContact CB-CB 3.83Å; L47-A117 HydrophobicContact CD2-CB 4.31Å; V112-A117 HydrophobicContact CB-CB 4.29Å; V112-A117 HydrophobicContact CG1-CB 4.17Å; P113-A117 WeakPolarHBondContact O-CB 3.41Å; P113-A117 PolarHBondContact O-N 2.83Å; G114-A117 PolarHBondContact O-N 2.91Å; A117-S119 PolarHBondContact O-N 3.03Å; A117-R120 PolarHBondContact O-N 3.08Å; A117-L121 WeakPolarHBondContact O-CB 3.11Å; A117-L121 VanDerWaalsContact O-CG 3.23Å; A117-L121 WeakPolarHBondContact O-CG 3.4Å; A117-L121 PolarHBondContact O-N 2.84Å
118	A	96.5	Very high	96.1	Very high	59 Å²	59	62.7 Å²	62.7	49%	0.488	38%	0.38	S	S	.	.	H	α-helix	trans	-58.8	-48.1	-179.2	0	0	0	0	0	112.5	G114 E116 R120 L121 Q122	G114-A118 WeakPolarHBondContact O-CB 3.47Å; G114-A118 PolarHBondContact O-N 3.46Å; E116-A118 VanDerWaalsContact C-N 3.33Å; E116-A118 PolarHBondContact O-N 3.04Å; A118-R120 VanDerWaalsContact C-N 3.34Å; A118-R120 PolarHBondContact O-N 3.39Å; A118-L121 PolarHBondContact O-N 2.83Å; A118-Q122 WeakPolarHBondContact O-CB 3.34Å; A118-Q122 PolarHBondContact O-N 3.47Å
119	S	95.1	Very high	96.1	Very high	77 Å²	77	60.8 Å²	60.8	54%	0.538	38%	0.378	S	S	.	.	H	α-helix	trans	-63	-40.4	177.8	-61.9	0	0	0	0	112.2	E116 A117 A123	E116-S119 PolarHBondContact O-N 2.8Å; A117-S119 PolarHBondContact O-N 3.03Å; S119-A123 WeakPolarHBondContact O-CB 3.25Å; S119-A123 PolarHBondContact O-N 3.45Å
120	R	95.6	Very high	96	Very high	71 Å²	71	68.1 Å²	68.1	27%	0.268	41%	0.41	S	S	.	.	H	α-helix	trans	-67	-43.9	177.7	-71.7	179.9	179.1	-79.3	3.1	112.5	E25 Y40 L47 E116 A117 A118 Q122 A123 L124	E25-R120 IonicContact OE1-NH1 2.85Å; E25-R120 IonicContact OE2-NH1 3.33Å; E25-R120 PolarHBondContact OE2-NH1 2.84Å; Y40-R120 PolarHBondContact OH-NH1 3.43Å; L47-R120 HydrophobicContact CD2-CB 3.88Å; L47-R120 HydrophobicContact CD2-CG 4.44Å; E116-R120 WeakPolarHBondContact O-CG 3.42Å; E116-R120 PolarHBondContact O-N 3.09Å; E116-R120 VanDerWaalsContact O-N 3.11Å; E116-R120 IonicContact OE1-CZ 3.33Å; E116-R120 IonicContact OE1-NE 2.66Å; E116-R120 PolarHBondContact OE1-NE 3.25Å; E116-R120 IonicContact OE1-NH2 2.89Å; E116-R120 PolarHBondContact OE1-NH2 3.49Å; A117-R120 PolarHBondContact O-N 3.08Å; A118-R120 VanDerWaalsContact C-N 3.34Å; A118-R120 PolarHBondContact O-N 3.39Å; R120-Q122 VanDerWaalsContact C-N 3.33Å; R120-Q122 PolarHBondContact O-N 3.44Å; R120-A123 PolarHBondContact O-N 3.11Å; R120-L124 WeakPolarHBondContact O-CB 3.49Å; R120-L124 PolarHBondContact O-N 3.46Å
121	L	97.8	Very high	95.9	Very high	21 Å²	21	69.1 Å²	69.1	11%	0.11	41%	0.406	C	S	.	.	H	α-helix	trans	-64.7	-37.8	178	-67.8	177.3	0	0	0	111.9	T42 L47 A117 A118 L124 T125	T42-L121 HydrophobicContact CG2-CD2 3.92Å; T42-L121 WeakPolarHBondContact OG1-CD2 3.33Å; L47-L121 HydrophobicContact CD1-CD2 4.29Å; A117-L121 WeakPolarHBondContact O-CB 3.11Å; A117-L121 VanDerWaalsContact O-CG 3.23Å; A117-L121 WeakPolarHBondContact O-CG 3.4Å; A117-L121 PolarHBondContact O-N 2.84Å; A118-L121 PolarHBondContact O-N 2.83Å; L121-L124 PolarHBondContact O-N 2.96Å; L121-T125 WeakPolarHBondContact O-CB 3.36Å; L121-T125 PolarHBondContact O-N 2.97Å; L121-T125 PolarHBondContact O-OG1 3.06Å
122	Q	97.6	Very high	95.9	Very high	127 Å²	127	68.9 Å²	68.9	59%	0.593	41%	0.411	S	S	*	.	H	α-helix	trans	-62.4	-48.7	173	-174.3	-178.9	6.4	0	0	111.3	A118 R120 L124 T125 L126	A118-Q122 WeakPolarHBondContact O-CB 3.34Å; A118-Q122 PolarHBondContact O-N 3.47Å; R120-Q122 VanDerWaalsContact C-N 3.33Å; R120-Q122 PolarHBondContact O-N 3.44Å; Q122-L124 PolarHBondContact O-N 3.29Å; Q122-T125 PolarHBondContact O-N 3.42Å; Q122-L126 HydrophobicContact CG-CD1 4.19Å; Q122-L126 WeakPolarHBondContact O-CG 3.4Å; Q122-L126 PolarHBondContact O-N 2.97Å; Q122-L126 VanDerWaalsContact O-N 3.09Å
123	A	95.7	Very high	96	Very high	64 Å²	64	75.5 Å²	75.5	53%	0.529	44%	0.435	S	S	.	.	H	α-helix	trans	-62.2	-42	178.2	0	0	0	0	0	112.1	S119 R120 G127	S119-A123 WeakPolarHBondContact O-CB 3.25Å; S119-A123 PolarHBondContact O-N 3.45Å; R120-A123 PolarHBondContact O-N 3.11Å; A123-G127 PolarHBondContact O-N 3.24Å
124	L	96.3	Very high	96	Very high	29 Å²	29	73.5 Å²	73.5	15%	0.152	42%	0.423	C	S	.	.	H	α-helix	trans	-59.1	-49.3	175.7	178	63.8	0	0	0	110.9	Y23 T42 R120 L121 Q122 L126 G127 L128	Y23-L124 HydrophobicContact CD1-CD1 4.39Å; Y23-L124 HydrophobicContact CD1-CD2 4.19Å; Y23-L124 HydrophobicContact CE1-CD1 4.29Å; Y23-L124 HydrophobicContact CE1-CD2 3.63Å; T42-L124 HydrophobicContact CG2-CD2 3.98Å; R120-L124 WeakPolarHBondContact O-CB 3.49Å; R120-L124 PolarHBondContact O-N 3.46Å; L121-L124 PolarHBondContact O-N 2.96Å; Q122-L124 PolarHBondContact O-N 3.29Å; L124-L126 PolarHBondContact O-N 3.08Å; L124-G127 PolarHBondContact O-N 3.2Å; L124-L128 HydrophobicContact CD1-CD1 3.97Å; L124-L128 HydrophobicContact CD1-CG 4.05Å; L124-L128 HydrophobicContact CG-CD1 4Å; L124-L128 HydrophobicContact CG-CG 4.42Å; L124-L128 WeakPolarHBondContact O-CB 3.48Å; L124-L128 VanDerWaalsContact O-CG 3.28Å; L124-L128 WeakPolarHBondContact O-CG 3.23Å; L124-L128 PolarHBondContact O-N 2.92Å
125	T	97.8	Very high	96.1	Very high	93 Å²	93	75 Å²	75	57%	0.571	42%	0.418	S	S	*	.	H	α-helix	trans	-60.3	-49.5	-178.6	-57.8	0	0	0	0	111.5	L121 Q122 G127 L128 A129	L121-T125 WeakPolarHBondContact O-CB 3.36Å; L121-T125 PolarHBondContact O-N 2.97Å; L121-T125 PolarHBondContact O-OG1 3.06Å; Q122-T125 PolarHBondContact O-N 3.42Å; T125-G127 VanDerWaalsContact C-N 3.33Å; T125-G127 PolarHBondContact O-N 3.41Å; T125-L128 PolarHBondContact O-N 3.08Å; T125-A129 PolarHBondContact O-N 2.79Å
126	L	97.9	Very high	96.2	Very high	114 Å²	114	75.6 Å²	75.6	60%	0.597	41%	0.412	S	S	*	.	H	α-helix	trans	-64.6	-39.1	177.6	-65.5	173.3	0	0	0	111.8	Q122 L124 A129 K130	Q122-L126 HydrophobicContact CG-CD1 4.19Å; Q122-L126 WeakPolarHBondContact O-CG 3.4Å; Q122-L126 PolarHBondContact O-N 2.97Å; Q122-L126 VanDerWaalsContact O-N 3.09Å; L124-L126 PolarHBondContact O-N 3.08Å; L126-A129 PolarHBondContact O-N 3.11Å; L126-K130 PolarHBondContact O-N 3.26Å
127	G	95.7	Very high	96.3	Very high	31 Å²	31	78.5 Å²	78.5	32%	0.32	42%	0.419	S	S	.	.	H	α-helix	trans	-63.6	-43	176.9	0	0	0	0	0	112.6	A123 L124 T125 K130 R131	A123-G127 PolarHBondContact O-N 3.24Å; L124-G127 PolarHBondContact O-N 3.2Å; T125-G127 VanDerWaalsContact C-N 3.33Å; T125-G127 PolarHBondContact O-N 3.41Å; G127-K130 PolarHBondContact O-N 2.78Å; G127-R131 WeakPolarHBondContact O-CB 3.45Å; G127-R131 VanDerWaalsContact O-CG 3.26Å; G127-R131 WeakPolarHBondContact O-CG 3.38Å; G127-R131 PolarHBondContact O-N 3.14Å
128	L	96.4	Very high	96.2	Very high	49 Å²	49	84.5 Å²	84.5	26%	0.257	44%	0.44	S	S	.	.	H	α-helix	trans	-66	-43.5	176	-69.8	175.7	0	0	0	111.6	L8 L124 T125 K130 R131 V132	L8-L128 HydrophobicContact CD2-CD2 3.48Å; L8-L128 VanDerWaalsContact CD2-CD2 3.48Å; L124-L128 HydrophobicContact CD1-CD1 3.97Å; L124-L128 HydrophobicContact CD1-CG 4.05Å; L124-L128 HydrophobicContact CG-CD1 4Å; L124-L128 HydrophobicContact CG-CG 4.42Å; L124-L128 WeakPolarHBondContact O-CB 3.48Å; L124-L128 VanDerWaalsContact O-CG 3.28Å; L124-L128 WeakPolarHBondContact O-CG 3.23Å; L124-L128 PolarHBondContact O-N 2.92Å; T125-L128 PolarHBondContact O-N 3.08Å; L128-K130 VanDerWaalsContact C-N 3.32Å; L128-K130 PolarHBondContact O-N 3.4Å; L128-R131 WeakPolarHBondContact O-CB 3.48Å; L128-R131 PolarHBondContact O-N 3.46Å; L128-R131 VanDerWaalsContact O-N 3.09Å; L128-V132 WeakPolarHBondContact O-CG2 3.35Å; L128-V132 PolarHBondContact O-N 2.88Å
129	A	97.5	Very high	96.1	Very high	62 Å²	62	86.4 Å²	86.4	51%	0.512	44%	0.441	S	S	.	.	H	α-helix	trans	-57.7	-45.2	175.4	0	0	0	0	0	111.8	T125 L126 R131 V132 W133	T125-A129 PolarHBondContact O-N 2.79Å; L126-A129 PolarHBondContact O-N 3.11Å; A129-R131 VanDerWaalsContact C-N 3.34Å; A129-R131 PolarHBondContact O-N 3.32Å; A129-V132 PolarHBondContact O-N 2.88Å; A129-W133 PolarHBondContact O-N 3.04Å; A129-W133 VanDerWaalsContact O-N 3.11Å
130	K	96.3	Very high	96.1	Very high	159 Å²	159	85.3 Å²	85.3	69%	0.691	44%	0.437	S	S	*	.	H	α-helix	trans	-62.6	-39.1	175	-175.7	177.4	-179.6	179.4	0	112.4	L126 G127 L128 S134	L126-K130 PolarHBondContact O-N 3.26Å; G127-K130 PolarHBondContact O-N 2.78Å; L128-K130 VanDerWaalsContact C-N 3.32Å; L128-K130 PolarHBondContact O-N 3.4Å; K130-S134 WeakPolarHBondContact O-CB 3.4Å; K130-S134 PolarHBondContact O-N 2.9Å; K130-S134 VanDerWaalsContact O-N 3.08Å
131	R	94.8	Very high	95.9	Very high	71 Å²	71	84.4 Å²	84.4	27%	0.268	45%	0.445	S	S	.	.	H	α-helix	trans	-65.8	-47.7	178	-77	168.7	62.8	167.9	6.4	111.6	P6 G127 L128 A129 W133 S134 L135	P6-R131 PolarHBondContact O-NH1 3.25Å; P6-R131 PolarHBondContact O-NH2 3.26Å; G127-R131 WeakPolarHBondContact O-CB 3.45Å; G127-R131 VanDerWaalsContact O-CG 3.26Å; G127-R131 WeakPolarHBondContact O-CG 3.38Å; G127-R131 PolarHBondContact O-N 3.14Å; L128-R131 WeakPolarHBondContact O-CB 3.48Å; L128-R131 PolarHBondContact O-N 3.46Å; L128-R131 VanDerWaalsContact O-N 3.09Å; A129-R131 VanDerWaalsContact C-N 3.34Å; A129-R131 PolarHBondContact O-N 3.32Å; R131-W133 PolarHBondContact O-N 3.02Å; R131-S134 PolarHBondContact O-N 2.81Å; R131-L135 WeakPolarHBondContact O-CB 3.48Å; R131-L135 VanDerWaalsContact O-CG 3.23Å; R131-L135 WeakPolarHBondContact O-CG 3.34Å; R131-L135 PolarHBondContact O-N 2.83Å
132	V	96.8	Very high	95.6	Very high	73 Å²	73	86.1 Å²	86.1	44%	0.442	46%	0.462	S	S	.	.	H	α-helix	trans	-56.9	-51.9	177.8	170.7	0	0	0	0	109.9	L128 A129 S134 L135 E136	L128-V132 WeakPolarHBondContact O-CG2 3.35Å; L128-V132 PolarHBondContact O-N 2.88Å; A129-V132 PolarHBondContact O-N 2.88Å; V132-S134 VanDerWaalsContact C-N 3.32Å; V132-S134 PolarHBondContact O-N 3.22Å; V132-L135 PolarHBondContact O-N 3.16Å; V132-L135 VanDerWaalsContact O-N 3.11Å; V132-E136 HydrophobicContact CG1-CG 4.24Å; V132-E136 WeakPolarHBondContact CG1-OE1 3.39Å; V132-E136 WeakPolarHBondContact O-CG 3.38Å; V132-E136 PolarHBondContact O-N 3.31Å
133	W	96.8	Very high	95.3	Very high	148 Å²	148	85.8 Å²	85.8	56%	0.561	46%	0.461	S	S	*	.	H	α-helix	trans	-55.8	-44.4	177.9	177.5	81.7	0	0	0	113.2	A129 R131 R137	A129-W133 PolarHBondContact O-N 3.04Å; A129-W133 VanDerWaalsContact O-N 3.11Å; R131-W133 PolarHBondContact O-N 3.02Å; W133-R137 WeakPolarHBondContact O-CB 3.48Å; W133-R137 PolarHBondContact O-N 3.05Å
134	S	95.5	Very high	94.8	Very high	38 Å²	38	90 Å²	90	27%	0.266	47%	0.469	S	S	.	.	H	α-helix	trans	-67.1	-40.4	178.3	-176.4	0	0	0	0	112.5	K130 R131 V132 R138	K130-S134 WeakPolarHBondContact O-CB 3.4Å; K130-S134 PolarHBondContact O-N 2.9Å; K130-S134 VanDerWaalsContact O-N 3.08Å; R131-S134 PolarHBondContact O-N 2.81Å; V132-S134 VanDerWaalsContact C-N 3.32Å; V132-S134 PolarHBondContact O-N 3.22Å; S134-R138 VanDerWaalsContact O-CG 3.29Å; S134-R138 WeakPolarHBondContact O-CG 3.41Å; S134-R138 PolarHBondContact O-N 3.41Å
135	L	95.1	Very high	93.8	Very high	85 Å²	85	92.2 Å²	92.2	45%	0.445	48%	0.484	S	S	.	.	H	α-helix	trans	-68.5	-45.3	179.9	-74.3	170.2	0	0	0	111.6	R131 V132 R137 R138 L139	R131-L135 WeakPolarHBondContact O-CB 3.48Å; R131-L135 VanDerWaalsContact O-CG 3.23Å; R131-L135 WeakPolarHBondContact O-CG 3.34Å; R131-L135 PolarHBondContact O-N 2.83Å; V132-L135 PolarHBondContact O-N 3.16Å; V132-L135 VanDerWaalsContact O-N 3.11Å; L135-R137 VanDerWaalsContact C-N 3.3Å; L135-R137 PolarHBondContact O-N 2.9Å; L135-R138 PolarHBondContact O-N 3.22Å; L135-L139 VanDerWaalsContact O-CB 3.32Å; L135-L139 WeakPolarHBondContact O-CB 3.37Å; L135-L139 PolarHBondContact O-N 2.85Å
136	E	96.4	Very high	92.7	Very high	122 Å²	122	92 Å²	92	57%	0.57	49%	0.491	S	S	*	.	H	α-helix	trans	-57.7	-44.2	175.5	-72.6	173.4	168.4	0	0	111.1	V132 R138 L139 A140	V132-E136 HydrophobicContact CG1-CG 4.24Å; V132-E136 WeakPolarHBondContact CG1-OE1 3.39Å; V132-E136 WeakPolarHBondContact O-CG 3.38Å; V132-E136 PolarHBondContact O-N 3.31Å; E136-R138 PolarHBondContact O-N 3.39Å; E136-L139 PolarHBondContact O-N 3.43Å; E136-A140 WeakPolarHBondContact O-CB 3.42Å; E136-A140 PolarHBondContact O-N 3.38Å
137	R	95.3	Very high	91.3	Very high	150 Å²	150	90.4 Å²	90.4	57%	0.566	50%	0.495	S	S	*	.	H	α-helix	trans	-64.2	-40.4	177.3	-165.7	178.4	68.6	170.4	2.7	112.8	W133 L135 A141	W133-R137 WeakPolarHBondContact O-CB 3.48Å; W133-R137 PolarHBondContact O-N 3.05Å; L135-R137 VanDerWaalsContact C-N 3.3Å; L135-R137 PolarHBondContact O-N 2.9Å; R137-A141 PolarHBondContact O-N 3.11Å
138	R	94.1	Very high	89.5	Confident	132 Å²	132	92.4 Å²	92.4	50%	0.498	50%	0.504	S	S	.	.	H	α-helix	trans	-69.7	-38	177.2	-74.8	167.1	62.1	-164.3	1.1	112	S134 L135 E136 A141 A142	S134-R138 VanDerWaalsContact O-CG 3.29Å; S134-R138 WeakPolarHBondContact O-CG 3.41Å; S134-R138 PolarHBondContact O-N 3.41Å; L135-R138 PolarHBondContact O-N 3.22Å; E136-R138 PolarHBondContact O-N 3.39Å; R138-A141 PolarHBondContact O-N 3.44Å; R138-A142 WeakPolarHBondContact O-CB 3.47Å; R138-A142 PolarHBondContact O-N 2.85Å
139	L	94.6	Very high	87.7	Confident	98 Å²	98	95.9 Å²	95.9	51%	0.513	53%	0.53	S	S	.	.	H	α-helix	trans	-63.2	-49.7	176.7	-179	61.6	0	0	0	110.4	L135 E136 A141 A142 E143	L135-L139 VanDerWaalsContact O-CB 3.32Å; L135-L139 WeakPolarHBondContact O-CB 3.37Å; L135-L139 PolarHBondContact O-N 2.85Å; E136-L139 PolarHBondContact O-N 3.43Å; L139-A141 VanDerWaalsContact C-N 3.31Å; L139-A141 PolarHBondContact O-N 3.43Å; L139-A142 PolarHBondContact O-N 3.27Å; L139-A142 VanDerWaalsContact O-N 3.08Å; L139-E143 HydrophobicContact CD1-CG 4.26Å; L139-E143 HydrophobicContact CG-CG 4.49Å; L139-E143 WeakPolarHBondContact O-CG 3.42Å; L139-E143 PolarHBondContact O-N 2.99Å
140	A	94	Very high	85.8	Confident	55 Å²	55	102.7 Å²	102.7	46%	0.455	54%	0.542	S	S	.	.	H	α-helix	trans	-55.5	-44.7	177.1	0	0	0	0	0	112.5	E136 A142 E143 E144	E136-A140 WeakPolarHBondContact O-CB 3.42Å; E136-A140 PolarHBondContact O-N 3.38Å; A140-A142 PolarHBondContact O-N 3.05Å; A140-E143 PolarHBondContact O-N 2.87Å; A140-E144 PolarHBondContact O-N 3.01Å
141	A	92.3	Very high	83.8	Confident	51 Å²	51	104.7 Å²	104.7	42%	0.421	55%	0.551	S	S	.	*	H	α-helix	trans	-66.4	-36.2	177.6	0	0	0	0	0	113.3	R137 R138 L139 T145	R137-A141 PolarHBondContact O-N 3.11Å; R138-A141 PolarHBondContact O-N 3.44Å; L139-A141 VanDerWaalsContact C-N 3.31Å; L139-A141 PolarHBondContact O-N 3.43Å; A141-T145 WeakPolarHBondContact O-CB 3.27Å; A141-T145 PolarHBondContact O-N 3.3Å; A141-T145 VanDerWaalsContact O-N 3.13Å; A141-T145 PolarHBondContact O-OG1 3.46Å
142	A	91.1	Very high	82	Confident	58 Å²	58	105.3 Å²	105.3	48%	0.479	57%	0.566	S	S	.	*	H	α-helix	trans	-69	-41.5	177.1	0	0	0	0	0	111.7	R138 L139 A140 T145 A146	R138-A142 WeakPolarHBondContact O-CB 3.47Å; R138-A142 PolarHBondContact O-N 2.85Å; L139-A142 PolarHBondContact O-N 3.27Å; L139-A142 VanDerWaalsContact O-N 3.08Å; A140-A142 PolarHBondContact O-N 3.05Å; A142-T145 PolarHBondContact O-N 3.46Å; A142-A146 WeakPolarHBondContact O-CB 3.45Å; A142-A146 PolarHBondContact O-N 2.83Å
143	E	91.1	Very high	79.7	Confident	120 Å²	120	107.8 Å²	107.8	56%	0.561	58%	0.584	S	S	*	*	H	α-helix	trans	-64.5	-43	176.8	-71	175.8	171.5	0	0	111.9	L139 A140 T145 A146 A147	L139-E143 HydrophobicContact CD1-CG 4.26Å; L139-E143 HydrophobicContact CG-CG 4.49Å; L139-E143 WeakPolarHBondContact O-CG 3.42Å; L139-E143 PolarHBondContact O-N 2.99Å; A140-E143 PolarHBondContact O-N 2.87Å; E143-T145 VanDerWaalsContact C-N 3.35Å; E143-T145 PolarHBondContact O-N 3.15Å; E143-A146 PolarHBondContact O-N 3.12Å; E143-A147 WeakPolarHBondContact O-CB 3.38Å; E143-A147 PolarHBondContact O-N 3.05Å
144	E	84.3	Confident	77.4	Confident	153 Å²	153	111 Å²	111	72%	0.715	60%	0.596	S	S	*	*	H	α-helix	trans	-62.1	-41.9	174.9	-172.2	-174.2	168.3	0	0	111.9	A140 A146 A147 S148	A140-E144 PolarHBondContact O-N 3.01Å; E144-A146 VanDerWaalsContact C-N 3.31Å; E144-A146 PolarHBondContact O-N 3.15Å; E144-A147 PolarHBondContact O-N 3.24Å; E144-S148 PolarHBondContact O-N 2.94Å
145	T	76.4	Confident	75	Confident	75 Å²	75	115.1 Å²	115.1	46%	0.46	62%	0.622	S	S	.	*	H	α-helix	trans	-67.3	-32.5	178	-56	0	0	0	0	112.2	A141 A142 E143	A141-T145 WeakPolarHBondContact O-CB 3.27Å; A141-T145 PolarHBondContact O-N 3.3Å; A141-T145 VanDerWaalsContact O-N 3.13Å; A141-T145 PolarHBondContact O-OG1 3.46Å; A142-T145 PolarHBondContact O-N 3.46Å; E143-T145 VanDerWaalsContact C-N 3.35Å; E143-T145 PolarHBondContact O-N 3.15Å
146	A	74.4	Confident	72.9	Confident	87 Å²	87	116.1 Å²	116.1	72%	0.719	64%	0.642	S	S	*	*	H	α-helix	trans	-76.1	-31.1	176.9	0	0	0	0	0	112.8	A142 E143 E144	A142-A146 WeakPolarHBondContact O-CB 3.45Å; A142-A146 PolarHBondContact O-N 2.83Å; E143-A146 PolarHBondContact O-N 3.12Å; E144-A146 VanDerWaalsContact C-N 3.31Å; E144-A146 PolarHBondContact O-N 3.15Å
147	A	68.8	Low	70.3	Confident	82 Å²	82	112.8 Å²	112.8	68%	0.678	64%	0.641	S	S	*	*	H	α-helix	trans	-80.1	-15.7	179	0	0	0	0	0	114.1	E143 E144	E143-A147 WeakPolarHBondContact O-CB 3.38Å; E143-A147 PolarHBondContact O-N 3.05Å; E144-A147 PolarHBondContact O-N 3.24Å
148	S	57.6	Low	68	Low	73 Å²	73	111.5 Å²	111.5	51%	0.51	65%	0.652	S	S	.	*	S	Bend	trans	-83	123.8	179	-170.9	0	0	0	0	111.7	E144 R150	E144-S148 PolarHBondContact O-N 2.94Å; S148-R150 PolarHBondContact O-N 3.08Å
149	P	57.8	Low	65.8	Low	122 Å²	122	113.1 Å²	113.1	79%	0.792	67%	0.665	S	S	*	*			trans	-65.3	98.4	173.4	-9.5	22.9	0	0	0	108.6	K151	P149-K151 PolarHBondContact O-N 3.5Å
150	R	57.8	Low	63.3	Low	205 Å²	205	115.9 Å²	115.9	77%	0.774	68%	0.679	S	S	*	*			trans	-59.2	108.9	176.3	-76.7	-175.2	165.4	-147	-3.2	109.3	S148 S152	S148-R150 PolarHBondContact O-N 3.08Å; R150-S152 PolarHBondContact O-N 3.03Å
151	K	55.3	Low	61.1	Low	200 Å²	200	121.9 Å²	121.9	87%	0.87	70%	0.695	S	S	*	*			trans	-61.2	114.2	154.4	-93.7	177.2	175.2	173.3	0	106.5	P149 P153	P149-K151 PolarHBondContact O-N 3.5Å; K151-P153 WeakPolarHBondContact O-CD 3.35Å
152	S	56.2	Low	58.8	Low	85 Å²	85	126.9 Å²	126.9	59%	0.594	71%	0.714	S	S	*	*			trans	-50.3	124.7	172	56.5	0	0	0	0	109.6	R150 R154	R150-S152 PolarHBondContact O-N 3.03Å; S152-R154 VanDerWaalsContact C-N 3.28Å; S152-R154 PolarHBondContact O-N 3.19Å
153	P	49.3	Very low	56.8	Low	125 Å²	125	130 Å²	130	81%	0.812	73%	0.73	S	S	*	*			trans	-70.7	96.1	160.6	7.1	8	0	0	0	105.5	K151	K151-P153 WeakPolarHBondContact O-CD 3.35Å
154	R	48.3	Very low	54.7	Low	216 Å²	216	131 Å²	131	82%	0.815	74%	0.739	S	S	*	*			trans	-60.1	129.7	163.4	-72.3	-176.1	174.3	180	-2.2	106.3	S152 A156	S152-R154 VanDerWaalsContact C-N 3.28Å; S152-R154 PolarHBondContact O-N 3.19Å; R154-A156 PolarHBondContact O-N 2.86Å; R154-A156 VanDerWaalsContact O-N 3.08Å
155	P	45.5	Very low	52.9	Low	124 Å²	124	129 Å²	129	81%	0.805	74%	0.739	S	S	*	*			trans	-60.2	119.1	170.5	-12.3	24.6	0	0	0	107.3	G157	P155-G157 PolarHBondContact O-N 3.29Å
156	A	50.3	Low	51.3	Low	105 Å²	105	132 Å²	132	87%	0.868	75%	0.752	S	S	*	*			trans	-69.2	85.2	163.8	0	0	0	0	0	106.9	R154	R154-A156 PolarHBondContact O-N 2.86Å; R154-A156 VanDerWaalsContact O-N 3.08Å
157	G	43.3	Very low	50.3	Low	53 Å²	53	132.6 Å²	132.6	55%	0.546	75%	0.749	S	S	.	*			trans	-65.6	147.1	172.5	0	0	0	0	0	110.6	P155 Q159	P155-G157 PolarHBondContact O-N 3.29Å; G157-Q159 PolarHBondContact O-N 3.49Å
158	P	45.8	Very low	48.9	Very low	123 Å²	123	137 Å²	137	80%	0.799	76%	0.755	S	S	*	*			trans	-65.4	124	177.9	-11.1	25.3	0	0	0	109.7	L160	P158-L160 PolarHBondContact O-N 2.96Å
159	Q	47.4	Very low	47.9	Very low	166 Å²	166	145.2 Å²	145.2	78%	0.776	78%	0.775	S	S	*	*			trans	-70.9	97.7	171.7	-74.6	-155.4	54.6	0	0	109.8	G157 F161	G157-Q159 PolarHBondContact O-N 3.49Å; Q159-F161 HydrophobicContact CB-CD2 4.49Å; Q159-F161 HydrophobicContact CB-CE2 4.46Å; Q159-F161 PolarHBondContact O-N 3.32Å
160	L	43.5	Very low	46.7	Very low	156 Å²	156	143.3 Å²	143.3	82%	0.817	78%	0.778	S	S	*	*			trans	-79.7	100.9	163.9	-70.6	171.4	0	0	0	108.4	P158	P158-L160 PolarHBondContact O-N 2.96Å
161	F	46.8	Very low	45.7	Very low	180 Å²	180	137.1 Å²	137.1	79%	0.789	78%	0.778	S	S	*	*			trans	-72.4	119.4	161.2	-84	-94.7	0	0	0	108.5	Q159	Q159-F161 HydrophobicContact CB-CD2 4.49Å; Q159-F161 HydrophobicContact CB-CE2 4.46Å; Q159-F161 PolarHBondContact O-N 3.32Å
162	L	43.9	Very low	45.4	Very low	157 Å²	157	134.3 Å²	134.3	82%	0.822	78%	0.78	S	S	*	*			trans	-125.4	135.6	163.7	-80.4	167.4	0	0	0	109
163	P	49.2	Very low	44.7	Very low	124 Å²	124	133.3 Å²	133.3	81%	0.805	78%	0.783	S	S	*	*			trans	-87	151.7	-178.8	33.1	-28	0	0	0	112.7
164	D	46	Very low	44.7	Very low	139 Å²	139	133.7 Å²	133.7	74%	0.743	79%	0.786	S	S	*	*			trans	-60.6	162.7	-177	-150.9	-2	0	0	0	114.3	D166	D164-D166 PolarHBondContact OD1-N 2.91Å
165	P	47.8	Very low	44.6	Very low	113 Å²	113	126.7 Å²	126.7	73%	0.734	78%	0.781	S	S	*	*				-153.6	132.2	90.5	35.5	-14.1	0	0	0	118.8
166	D	42.5	Very low	44.8	Very low	137 Å²	137	127.6 Å²	127.6	73%	0.733	78%	0.784	S	S	*	*				61.2	171.4	127	-96.9	-28.6	0	0	0	122.3	D164	D164-D166 PolarHBondContact OD1-N 2.91Å
167	P	53.4	Low	45.2	Very low	99 Å²	99	133.5 Å²	133.5	64%	0.643	78%	0.783	S	S	*	*			cis	-133.9	172.2	-36.7	34	-15.5	0	0	0	113.4
168	Q	39.4	Very low	46.1	Very low	175 Å²	175	142.6 Å²	142.6	82%	0.818	80%	0.801	S	S	*	*			trans	80.7	107.2	159.5	-50.8	-164.3	-27.5	0	0	120.7
169	R	37.3	Very low	46.7	Very low	246 Å²	246	143.9 Å²	143.9	93%	0.928	79%	0.79	S	S	*	*				160.2	125.2	108.1	-95.9	-177	173.3	-168.8	-1.5	111.5
170	G	32.1	Very low	47.2	Very low	82 Å²	82	140.1 Å²	140.1	85%	0.845	78%	0.781	S	S	*	*			trans	128.7	91.9	159.2	0	0	0	0	0	114.5
171	G	37	Very low	47.6	Very low	75 Å²	75	139.4 Å²	139.4	77%	0.773	79%	0.786	S	S	*	*			trans	-84.3	-160.2	163.7	0	0	0	0	0	111.8
172	P	47.9	Very low	48.4	Very low	140 Å²	140	134.3 Å²	134.3	91%	0.909	79%	0.785	S	S	*	*			cis	-115.2	123.6	-37	32.6	-16.6	0	0	0	110
173	G	43	Very low	49.3	Very low	64 Å²	64	131 Å²	131	66%	0.66	77%	0.765	S	S	*	*			trans	-133	149.4	177.5	0	0	0	0	0	111.1	G175	G173-G175 PolarHBondContact O-N 3.48Å
174	P	48.1	Very low	49.7	Very low	134 Å²	134	127.6 Å²	127.6	87%	0.87	74%	0.744	S	S	*	*			trans	-60.7	124.7	-167.6	22.9	-30.4	0	0	0	111	V176	P174-V176 PolarHBondContact O-N 3.02Å
175	G	47.1	Very low	50.6	Low	69 Å²	69	128.1 Å²	128.1	71%	0.711	75%	0.746	S	S	*	*			trans	-52.1	126.8	-166.7	0	0	0	0	0	114.1	G173 R177	G173-G175 PolarHBondContact O-N 3.48Å; G175-R177 VanDerWaalsContact C-N 3.28Å; G175-R177 PolarHBondContact O-N 3.04Å
176	V	49.7	Very low	51.6	Low	143 Å²	143	130.5 Å²	130.5	87%	0.867	75%	0.751	S	S	*	*			trans	-65.3	93	162.6	-179	0	0	0	0	106.9	P174 R178	P174-V176 PolarHBondContact O-N 3.02Å; V176-R178 PolarHBondContact O-N 3.37Å; V176-R178 VanDerWaalsContact O-N 3.14Å
177	R	57.6	Low	52.4	Low	228 Å²	228	128.6 Å²	128.6	86%	0.86	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-56	119.8	170	-87.6	-176.9	161.3	-136	-2.1	108	G175 R179	G175-R177 VanDerWaalsContact C-N 3.28Å; G175-R177 PolarHBondContact O-N 3.04Å; R177-R179 PolarHBondContact O-N 3.21Å; R177-R179 VanDerWaalsContact O-N 3.13Å
178	R	62	Low	53	Low	245 Å²	245	128 Å²	128	93%	0.925	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-57.1	118	166.1	-84.7	-169.6	174.6	-119	2.6	107.5	V176	V176-R178 PolarHBondContact O-N 3.37Å; V176-R178 VanDerWaalsContact O-N 3.14Å
179	R	58.9	Low	53.9	Low	149 Å²	149	122.6 Å²	122.6	56%	0.562	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-61.8	134.2	178.3	-65.5	-174.6	-174.2	-132.6	3.8	109.5	R177	R177-R179 PolarHBondContact O-N 3.21Å; R177-R179 VanDerWaalsContact O-N 3.13Å
180	C	58.3	Low	55	Low	87 Å²	87	117.3 Å²	117.3	59%	0.588	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-76	143.9	173.6	-65	0	0	0	0	109.4	G182 E183	C180-G182 PolarHBondContact O-N 2.85Å; C180-E183 PolarHBondContact O-N 3.4Å
181	P	51.9	Low	56.5	Low	141 Å²	141	122.5 Å²	122.5	92%	0.916	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.5	124.1	172.3	-24.1	33.5	0	0	0	110.6
182	G	62.5	Low	57.7	Low	74 Å²	74	123.3 Å²	123.3	76%	0.763	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	104	-0.3	-179	0	0	0	0	0	116.4	C180	C180-G182 PolarHBondContact O-N 2.85Å
183	E	62.7	Low	58.6	Low	86 Å²	86	126.3 Å²	126.3	40%	0.402	70%	0.704	S	S	.	*			trans	-72.9	130	170.2	-90.6	-178	153.5	0	0	112.1	C180 L185	C180-E183 PolarHBondContact O-N 3.4Å; E183-L185 PolarHBondContact O-N 2.73Å
184	S	59	Low	59.7	Low	54 Å²	54	132.4 Å²	132.4	38%	0.378	71%	0.713	S	S	.	*			trans	-61.4	133.1	178.5	-178.1	0	0	0	0	111.8	I186	S184-I186 PolarHBondContact OG-N 3.33Å
185	L	63.9	Low	60.3	Low	150 Å²	150	131.9 Å²	131.9	79%	0.785	71%	0.709	S	S	*	*	S	Bend	trans	-76.6	-27.5	177.7	-80.4	159.8	0	0	0	112.9	E183	E183-L185 PolarHBondContact O-N 2.73Å
186	I	68.9	Low	61	Low	163 Å²	163	133.5 Å²	133.5	84%	0.836	72%	0.716	S	S	*	*	S	Bend	trans	-86.2	-29	-175.2	-58.6	168.9	0	0	0	110.7	S184	S184-I186 PolarHBondContact OG-N 3.33Å
187	N	59.2	Low	61.8	Low	96 Å²	96	130.1 Å²	130.1	51%	0.513	71%	0.709	S	S	.	*	S	Bend	trans	-135.2	87.8	177.5	-153.8	-2.8	0	0	0	111.3	G189 F190	N187-G189 PolarHBondContact O-N 2.89Å; N187-F190 HydrophobicContact CB-CB 4.3Å; N187-F190 PolarHBondContact O-N 3.16Å
188	P	65.6	Low	62.4	Low	87 Å²	87	123.1 Å²	123.1	57%	0.565	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	130.5	-178.8	-18.3	30.8	0	0	0	111.1
189	G	60.2	Low	62.7	Low	62 Å²	62	117 Å²	117	64%	0.639	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	92.5	-4	179.8	0	0	0	0	0	115.4	N187 K191	N187-G189 PolarHBondContact O-N 2.89Å; G189-K191 PolarHBondContact O-N 3.18Å
190	F	59.8	Low	63	Low	135 Å²	135	117.7 Å²	117.7	59%	0.592	71%	0.713	S	S	*	*			trans	-82.2	110.4	173.3	-165.5	-99.3	0	0	0	110.8	N187 S192	N187-F190 HydrophobicContact CB-CB 4.3Å; N187-F190 PolarHBondContact O-N 3.16Å; F190-S192 PolarHBondContact O-N 3.2Å
191	K	62.6	Low	63.2	Low	191 Å²	191	121.8 Å²	121.8	83%	0.83	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-75.3	117.7	173.8	-64.1	-176.5	-179.6	-178.8	0	109.2	G189 K193	G189-K191 PolarHBondContact O-N 3.18Å; K191-K193 PolarHBondContact O-N 2.97Å
192	S	62.5	Low	63.6	Low	92 Å²	92	123.1 Å²	123.1	64%	0.643	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-59.9	133.4	172.4	58.2	0	0	0	0	110.1	F190 K194	F190-S192 PolarHBondContact O-N 3.2Å; S192-K194 PolarHBondContact O-N 2.76Å
193	K	67.1	Low	63.1	Low	203 Å²	203	129 Å²	129	88%	0.883	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-58.6	127.5	171.9	-82.3	179	173.5	176.5	0	109.1	K191	K191-K193 PolarHBondContact O-N 2.97Å
194	K	66.6	Low	62.4	Low	192 Å²	192	135 Å²	135	84%	0.835	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-61.4	139.6	171	-72.7	-176.7	176.1	-176.9	0	108.9	S192	S192-K194 PolarHBondContact O-N 2.76Å
195	P	61.3	Low	62.6	Low	123 Å²	123	139.1 Å²	139.1	80%	0.799	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-61.7	148.8	169.7	27.5	-33.4	0	0	0	109.7	G197	P195-G197 PolarHBondContact O-N 2.83Å
196	A	61.8	Low	62.5	Low	103 Å²	103	138.5 Å²	138.5	85%	0.851	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-61.2	124.5	179.3	0	0	0	0	0	109.9
197	G	65.5	Low	62.2	Low	71 Å²	71	137.2 Å²	137.2	73%	0.732	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-69.5	130.4	169.6	0	0	0	0	0	109	P195	P195-G197 PolarHBondContact O-N 2.83Å
198	G	69.6	Low	62.3	Low	81 Å²	81	139.6 Å²	139.6	84%	0.835	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-58.6	147.2	178.2	0	0	0	0	0	111.6
199	V	68.2	Low	62.1	Low	116 Å²	116	142.9 Å²	142.9	70%	0.703	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-80.9	129.7	169.9	-70.8	0	0	0	0	108.6	F201	V199-F201 HydrophobicContact CG2-CD2 4.42Å; V199-F201 HydrophobicContact CG2-CE2 3.66Å; V199-F201 HydrophobicContact CG2-CZ 3.83Å
200	D	64.9	Low	62.3	Low	165 Å²	165	148.3 Å²	148.3	88%	0.882	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-82.8	132.9	171.4	-137.3	-5.2	0	0	0	107.8
201	F	64.2	Low	62.4	Low	172 Å²	172	149.2 Å²	149.2	75%	0.754	85%	0.849	S	S	*	*			trans	-106.4	122.8	175.4	-71	-83	0	0	0	108.4	V199	V199-F201 HydrophobicContact CG2-CD2 4.42Å; V199-F201 HydrophobicContact CG2-CE2 3.66Å; V199-F201 HydrophobicContact CG2-CZ 3.83Å
202	D	59.1	Low	62.4	Low	169 Å²	169	146 Å²	146	90%	0.904	85%	0.85	S	S	*	*			trans	-65.6	131.7	172	-81.4	-36.7	0	0	0	110.5
203	E	53	Low	62.4	Low	197 Å²	197	150.5 Å²	150.5	92%	0.921	87%	0.868	S	S	*	*			trans	-69.6	129.3	171	-79.6	-179.6	143.3	0	0	110.5
204	T	47.8	Very low	62	Low	214 Å²	214	145.7 Å²	145.7	100%	1.313	87%	0.866	S	S	*	*			trans	-80.6	0	162.2	43.7	0	0	0	0	111.9

Retrieved 204 of 204 residues in 52.5 ms (Link to these results)

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