A0A077Z8X9_TRITR Loading...

Reticulocalbin-3

Probable molecular chaperone assisting protein biosynthesis and transport in the endoplasmic reticulum. Required for the proper biosynthesis and transport of pulmonary surfactant-associated protein A/SP-A, pulmonary surfactant-associated protein D/SP-D and the lipid transporter ABCA3. By regulating both the proper expression and the degradation through the endoplasmic reticulum-associated protein degradation pathway of these proteins plays a crucial role in pulmonary surfactant homeostasis. Has an anti-fibrotic activity by negatively regulating the secretion of type I and type III collagens. This calcium-binding protein also transiently associates with immature PCSK6 and regulates its secretion.

AlphaFold DB , UniProt , Accession A0A077Z8X9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 296 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.7	Very low	34.2	Very low	78 Å²	78	67 Å²	67	38%	0.384	33%	0.33	S	S	.	.				0	-28.5	0	-79.7	-173.5	-118.2	0	0	113.7	R3 L4 L111	M1-R3 PolarHBondContact O-N 3.21Å; M1-L4 PolarHBondContact O-N 2.74Å; M1-L4 VanDerWaalsContact O-N 3.17Å; M1-L111 HydrophobicContact CE-CD1 3.46Å; M1-L111 VanDerWaalsContact CE-CD1 3.46Å; M1-L111 HydrophobicContact CE-CD2 3.29Å; M1-L111 HydrophobicContact CE-CG 4.02Å
2	S	33.5	Very low	34.1	Very low	35 Å²	35	63.8 Å²	63.8	25%	0.245	32%	0.319	C	S	.	.	H	α-helix	trans	-55.7	-45.9	175	155	0	0	0	0	115	L4 R131 D175	S2-L4 VanDerWaalsContact C-N 3.3Å; S2-L4 PolarHBondContact O-N 2.82Å; S2-R131 VanDerWaalsContact CB-NH1 3.28Å; S2-R131 VanDerWaalsContact OG-CZ 3.31Å; S2-R131 PolarHBondContact OG-NH2 3.38Å; S2-R131 VanDerWaalsContact OG-NH2 3.11Å; S2-D175 PolarHBondContact OG-OD2 2.84Å; S2-D175 VanDerWaalsContact OG-OD2 3.11Å
3	R	31.1	Very low	34	Very low	198 Å²	198	61.6 Å²	61.6	75%	0.747	31%	0.309	S	S	*	.	H	α-helix	trans	-61.5	-33.6	174.9	-80.4	-174.5	170.5	-171.6	-5.2	114.3	M1 E7	M1-R3 PolarHBondContact O-N 3.21Å; R3-E7 VanDerWaalsContact O-CB 3.28Å; R3-E7 WeakPolarHBondContact O-CB 3.27Å; R3-E7 WeakPolarHBondContact O-CG 2.96Å; R3-E7 PolarHBondContact O-N 3.29Å
4	L	31.3	Very low	34.2	Very low	105 Å²	105	60.8 Å²	60.8	55%	0.55	31%	0.309	S	S	.	.	H	α-helix	trans	-70.5	-35.8	-174.9	-115.4	110.4	0	0	0	112.9	M1 S2 E7 I8	M1-L4 PolarHBondContact O-N 2.74Å; M1-L4 VanDerWaalsContact O-N 3.17Å; S2-L4 VanDerWaalsContact C-N 3.3Å; S2-L4 PolarHBondContact O-N 2.82Å; L4-E7 PolarHBondContact O-N 3.14Å; L4-I8 HydrophobicContact CD2-CD1 4.43Å; L4-I8 WeakPolarHBondContact O-CB 3.23Å; L4-I8 WeakPolarHBondContact O-CD1 3.15Å; L4-I8 WeakPolarHBondContact O-CG1 3.28Å; L4-I8 PolarHBondContact O-N 3.38Å
5	L	31.8	Very low	34.1	Very low	18 Å²	18	59.7 Å²	59.7	9%	0.094	30%	0.304	C	S	.	.	H	α-helix	trans	-75.5	-38.2	179.5	-81	157.8	0	0	0	112.1	E7 I8 V9 R135 P158 E159	L5-E7 VanDerWaalsContact C-N 3.34Å; L5-I8 PolarHBondContact O-N 3.42Å; L5-V9 WeakPolarHBondContact O-CG2 3.45Å; L5-V9 PolarHBondContact O-N 3.18Å; L5-R135 VanDerWaalsContact CD1-CZ 3.43Å; L5-P158 HydrophobicContact CD1-CG 4.02Å; L5-P158 HydrophobicContact CD2-CG 3.94Å; L5-E159 WeakPolarHBondContact CD2-OE2 3.22Å
6	A	31.3	Very low	34	Very low	27 Å²	27	60.5 Å²	60.5	22%	0.223	31%	0.308	C	S	.	.	H	α-helix	trans	-62.3	-43	169.7	0	0	0	0	0	110.6	I8 L10	A6-I8 PolarHBondContact O-N 3.12Å; A6-L10 VanDerWaalsContact O-CB 3.26Å; A6-L10 WeakPolarHBondContact O-CB 3.41Å; A6-L10 PolarHBondContact O-N 3.12Å
7	E	32	Very low	33.9	Very low	102 Å²	102	61.6 Å²	61.6	48%	0.477	32%	0.318	S	S	.	.	H	α-helix	trans	-64.3	-37.5	175.8	-77.3	166.6	-172.9	0	0	113	R3 L4 L5 L11	R3-E7 VanDerWaalsContact O-CB 3.28Å; R3-E7 WeakPolarHBondContact O-CB 3.27Å; R3-E7 WeakPolarHBondContact O-CG 2.96Å; R3-E7 PolarHBondContact O-N 3.29Å; L4-E7 PolarHBondContact O-N 3.14Å; L5-E7 VanDerWaalsContact C-N 3.34Å; E7-L11 WeakPolarHBondContact O-CB 3.33Å; E7-L11 VanDerWaalsContact O-CD1 3.27Å; E7-L11 WeakPolarHBondContact O-CD1 2.82Å; E7-L11 WeakPolarHBondContact O-CG 3.28Å; E7-L11 PolarHBondContact O-N 2.88Å
8	I	37	Very low	33.7	Very low	60 Å²	60	64.3 Å²	64.3	31%	0.308	33%	0.329	S	S	.	.	H	α-helix	trans	-71.8	-41.4	178.2	-69.5	166.4	0	0	0	111.7	L4 L5 A6 S12	L4-I8 HydrophobicContact CD2-CD1 4.43Å; L4-I8 WeakPolarHBondContact O-CB 3.23Å; L4-I8 WeakPolarHBondContact O-CD1 3.15Å; L4-I8 WeakPolarHBondContact O-CG1 3.28Å; L4-I8 PolarHBondContact O-N 3.38Å; L5-I8 PolarHBondContact O-N 3.42Å; A6-I8 PolarHBondContact O-N 3.12Å; I8-S12 PolarHBondContact O-N 3.45Å; I8-S12 VanDerWaalsContact O-N 3.09Å; I8-S12 PolarHBondContact O-OG 3.4Å
9	V	37.3	Very low	33.5	Very low	8 Å²	8	65.1 Å²	65.1	5%	0.048	34%	0.341	C	S	.	.	H	α-helix	trans	-70.5	-37.9	175.7	179.9	0	0	0	0	110.5	L5 S12 L13 V168 L237	L5-V9 WeakPolarHBondContact O-CG2 3.45Å; L5-V9 PolarHBondContact O-N 3.18Å; V9-S12 WeakPolarHBondContact CA-OG 3.2Å; V9-S12 PolarHBondContact O-OG 3.37Å; V9-L13 HydrophobicContact CG1-CD1 4.17Å; V9-L13 PolarHBondContact O-N 3.11Å; V9-V168 HydrophobicContact CG2-CG1 4.33Å; V9-L237 HydrophobicContact CG1-CB 4.24Å; V9-L237 HydrophobicContact CG1-CD2 3.66Å
10	L	36.5	Very low	33.2	Very low	45 Å²	45	65.6 Å²	65.6	24%	0.236	36%	0.355	C	S	.	.	H	α-helix	trans	-64	-50.3	170.5	-110.3	80.4	0	0	0	111.1	A6 S12 L13 T14	A6-L10 VanDerWaalsContact O-CB 3.26Å; A6-L10 WeakPolarHBondContact O-CB 3.41Å; A6-L10 PolarHBondContact O-N 3.12Å; L10-S12 PolarHBondContact O-N 3.26Å; L10-L13 CarbonylContact O-C 3.17Å; L10-L13 WeakPolarHBondContact O-CA 3.44Å; L10-L13 WeakPolarHBondContact O-CB 3.37Å; L10-L13 PolarHBondContact O-N 3.25Å; L10-T14 WeakPolarHBondContact O-CB 3.46Å; L10-T14 PolarHBondContact O-N 3.27Å; L10-T14 PolarHBondContact O-OG1 2.88Å
11	L	36	Very low	33	Very low	61 Å²	61	71.6 Å²	71.6	32%	0.319	38%	0.378	S	S	.	.	H	α-helix	trans	-56.3	-40.2	-178.2	-82	160.8	0	0	0	111.6	E7 L13 T14 L15 F28 V29	E7-L11 WeakPolarHBondContact O-CB 3.33Å; E7-L11 VanDerWaalsContact O-CD1 3.27Å; E7-L11 WeakPolarHBondContact O-CD1 2.82Å; E7-L11 WeakPolarHBondContact O-CG 3.28Å; E7-L11 PolarHBondContact O-N 2.88Å; L11-L13 VanDerWaalsContact C-N 3.35Å; L11-T14 PolarHBondContact O-N 3.38Å; L11-L15 WeakPolarHBondContact O-CB 3.48Å; L11-L15 WeakPolarHBondContact O-CD1 3.47Å; L11-L15 PolarHBondContact O-N 2.69Å; L11-F28 HydrophobicContact CD2-CD2 4.32Å; L11-F28 HydrophobicContact CD2-CE2 3.95Å; L11-V29 HydrophobicContact CD1-CG2 4.33Å
12	S	33.3	Very low	32.6	Very low	29 Å²	29	75.4 Å²	75.4	20%	0.203	39%	0.394	C	S	.	.	H	α-helix	trans	-70.8	-26.5	175.9	53.6	0	0	0	0	113.8	I8 V9 L10 I16	I8-S12 PolarHBondContact O-N 3.45Å; I8-S12 VanDerWaalsContact O-N 3.09Å; I8-S12 PolarHBondContact O-OG 3.4Å; V9-S12 WeakPolarHBondContact CA-OG 3.2Å; V9-S12 PolarHBondContact O-OG 3.37Å; L10-S12 PolarHBondContact O-N 3.26Å; S12-I16 VanDerWaalsContact O-CD1 3.23Å; S12-I16 WeakPolarHBondContact O-CD1 3.37Å; S12-I16 WeakPolarHBondContact O-CG1 3.06Å
13	L	33.1	Very low	32.4	Very low	35 Å²	35	80.8 Å²	80.8	18%	0.183	42%	0.42	C	S	.	.	H	α-helix	trans	-81.1	-36.8	170.2	-94.1	147.1	0	0	0	113.1	V9 L10 L11 I16 V17 W236	V9-L13 HydrophobicContact CG1-CD1 4.17Å; V9-L13 PolarHBondContact O-N 3.11Å; L10-L13 CarbonylContact O-C 3.17Å; L10-L13 WeakPolarHBondContact O-CA 3.44Å; L10-L13 WeakPolarHBondContact O-CB 3.37Å; L10-L13 PolarHBondContact O-N 3.25Å; L11-L13 VanDerWaalsContact C-N 3.35Å; L13-I16 WeakPolarHBondContact O-CB 3.43Å; L13-I16 PolarHBondContact O-N 2.98Å; L13-V17 PolarHBondContact O-N 2.99Å; L13-W236 HydrophobicContact CD1-CZ2 4.36Å
14	T	36.3	Very low	32.7	Very low	50 Å²	50	75.5 Å²	75.5	31%	0.307	40%	0.404	S	S	.	.	H	α-helix	trans	-73.5	-34.8	-177.5	-45.1	0	0	0	0	111.3	L10 L11 I16 V17 Q18	L10-T14 WeakPolarHBondContact O-CB 3.46Å; L10-T14 PolarHBondContact O-N 3.27Å; L10-T14 PolarHBondContact O-OG1 2.88Å; L11-T14 PolarHBondContact O-N 3.38Å; T14-I16 PolarHBondContact O-N 3.3Å; T14-V17 PolarHBondContact O-N 3.11Å; T14-V17 VanDerWaalsContact O-N 3.08Å; T14-Q18 HydrophobicContact CG2-CG 3.99Å; T14-Q18 WeakPolarHBondContact O-CB 3.34Å; T14-Q18 PolarHBondContact O-N 2.89Å
15	L	33	Very low	32.8	Very low	44 Å²	44	79 Å²	79	23%	0.23	42%	0.423	C	S	.	.	H	α-helix	trans	-59.2	-28.3	171.3	-90.9	153.2	0	0	0	112.7	L11	L11-L15 WeakPolarHBondContact O-CB 3.48Å; L11-L15 WeakPolarHBondContact O-CD1 3.47Å; L11-L15 PolarHBondContact O-N 2.69Å
16	I	33	Very low	33	Very low	73 Å²	73	83.3 Å²	83.3	37%	0.374	44%	0.443	S	S	.	.	H	α-helix	trans	-78.6	-31.4	176.8	-58.5	159.1	0	0	0	111.3	S12 L13 T14 F242	S12-I16 VanDerWaalsContact O-CD1 3.23Å; S12-I16 WeakPolarHBondContact O-CD1 3.37Å; S12-I16 WeakPolarHBondContact O-CG1 3.06Å; L13-I16 WeakPolarHBondContact O-CB 3.43Å; L13-I16 PolarHBondContact O-N 2.98Å; T14-I16 PolarHBondContact O-N 3.3Å; I16-F242 HydrophobicContact CD1-CE1 3.48Å; I16-F242 VanDerWaalsContact CD1-CE1 3.48Å; I16-F242 HydrophobicContact CD1-CE2 3.86Å; I16-F242 HydrophobicContact CD1-CZ 3.09Å; I16-F242 HydrophobicContact CG1-CE1 4.45Å; I16-F242 HydrophobicContact CG1-CZ 3.81Å
17	V	32.4	Very low	32.9	Very low	79 Å²	79	87 Å²	87	48%	0.479	46%	0.464	S	S	.	.	H	α-helix	trans	-88.9	-27.8	-176.1	180	0	0	0	0	112.6	L13 T14 S19	L13-V17 PolarHBondContact O-N 2.99Å; T14-V17 PolarHBondContact O-N 3.11Å; T14-V17 VanDerWaalsContact O-N 3.08Å; V17-S19 VanDerWaalsContact C-N 3.3Å; V17-S19 PolarHBondContact O-N 3.43Å
18	Q	30.6	Very low	33.1	Very low	111 Å²	111	85.7 Å²	85.7	52%	0.519	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	1.4	-174.6	-79	179	-21.9	0	0	116	T14 A20	T14-Q18 HydrophobicContact CG2-CG 3.99Å; T14-Q18 WeakPolarHBondContact O-CB 3.34Å; T14-Q18 PolarHBondContact O-N 2.89Å; Q18-A20 PolarHBondContact O-N 3.47Å
19	S	29.1	Very low	32.9	Very low	78 Å²	78	87 Å²	87	55%	0.545	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	6.2	171.3	65.9	0	0	0	0	114.4	V17	V17-S19 VanDerWaalsContact C-N 3.3Å; V17-S19 PolarHBondContact O-N 3.43Å
20	A	28.1	Very low	32.9	Very low	75 Å²	75	87.5 Å²	87.5	62%	0.62	48%	0.475	S	S	*	.	S	Bend	trans	-133.3	77.8	176.9	0	0	0	0	0	113.4	Q18	Q18-A20 PolarHBondContact O-N 3.47Å
21	K	28.1	Very low	32.9	Very low	193 Å²	193	89.5 Å²	89.5	84%	0.839	49%	0.486	S	S	*	.			trans	68.1	132	152.2	-64.2	176.5	177.5	172.6	0	118.8
22	H	30.5	Very low	33	Very low	157 Å²	157	93.7 Å²	93.7	73%	0.727	50%	0.503	S	S	*	.			trans	94.3	106.6	160.2	-76.4	47.3	0	0	0	117.4	H24	H22-H24 PolarHBondContact O-CD2 2.98Å
23	D	28.4	Very low	33.3	Very low	149 Å²	149	94 Å²	94	80%	0.797	50%	0.502	S	S	*	.			trans	23.6	94.9	135.4	-59.7	-7.2	0	0	0	116
24	H	37.1	Very low	33.8	Very low	87 Å²	87	94.6 Å²	94.6	40%	0.403	51%	0.513	S	S	.	.			trans	-117.5	107.5	158.9	-85.1	-81.6	0	0	0	108.8	H22 E26 W208	H22-H24 PolarHBondContact O-CD2 2.98Å; H24-E26 PolarHBondContact O-N 3.35Å; H24-W208 AromaticContact NE2-NE1 3.75Å
25	D	33	Very low	34.1	Very low	177 Å²	177	99.3 Å²	99.3	95%	0.947	53%	0.529	S	S	*	.			trans	-69.6	48.4	167.9	-71.3	-48.5	0	0	0	111.2
26	E	37	Very low	34.7	Very low	110 Å²	110	103.1 Å²	103.1	51%	0.514	55%	0.545	S	S	.	.	S	Bend	trans	-105	130	164.8	-81.4	-178.9	-171.2	0	0	107.5	H24 F28 Y199	H24-E26 PolarHBondContact O-N 3.35Å; E26-F28 VanDerWaalsContact C-N 3.32Å; E26-F28 PolarHBondContact O-N 3.16Å; E26-Y199 PolarHBondContact OE1-OH 3.42Å
27	P	29.5	Very low	35.5	Very low	104 Å²	104	101.7 Å²	101.7	68%	0.675	54%	0.538	S	S	*	.			trans	-64.8	99.9	-178.9	27.7	-31.2	0	0	0	107.3	D31	P27-D31 HydrophobicContact CB-CB 4.17Å
28	F	35.3	Very low	36.5	Very low	74 Å²	74	105.9 Å²	105.9	33%	0.325	55%	0.552	S	S	.	*			trans	-53.5	151.2	169.4	-174.9	-118.9	0	0	0	107.2	L11 E26 G30 D31 Y284	L11-F28 HydrophobicContact CD2-CD2 4.32Å; L11-F28 HydrophobicContact CD2-CE2 3.95Å; E26-F28 VanDerWaalsContact C-N 3.32Å; E26-F28 PolarHBondContact O-N 3.16Å; F28-G30 PolarHBondContact O-N 2.71Å; F28-D31 WeakPolarHBondContact O-CB 3.27Å; F28-D31 PolarHBondContact O-N 3.44Å; F28-Y284 HydrophobicContact CZ-CE1 4.46Å
29	V	34.1	Very low	38.1	Very low	89 Å²	89	108.5 Å²	108.5	54%	0.539	57%	0.565	S	S	.	*	H	α-helix	trans	-54.2	-23.5	171.2	179.8	0	0	0	0	110.3	L11 D31 L33	L11-V29 HydrophobicContact CD1-CG2 4.33Å; V29-D31 PolarHBondContact O-N 2.85Å; V29-L33 HydrophobicContact CG1-CD1 4.15Å; V29-L33 PolarHBondContact O-N 2.61Å; V29-L33 VanDerWaalsContact O-N 3.14Å
30	G	35.9	Very low	40.1	Very low	18 Å²	18	106.9 Å²	106.9	19%	0.186	55%	0.55	C	S	.	.	H	α-helix	trans	-68.5	-14.5	167.8	0	0	0	0	0	117.5	F28 A34	F28-G30 PolarHBondContact O-N 2.71Å; G30-A34 WeakPolarHBondContact O-CA 3.28Å; G30-A34 WeakPolarHBondContact O-CB 3.02Å; G30-A34 PolarHBondContact O-N 2.67Å
31	D	37.6	Very low	42.8	Very low	87 Å²	87	106.4 Å²	106.4	47%	0.465	54%	0.539	S	S	.	.	H	α-helix	trans	-80.8	-31.2	173.7	-92.5	-3.6	0	0	0	112.4	P27 F28 V29 K35	P27-D31 HydrophobicContact CB-CB 4.17Å; F28-D31 WeakPolarHBondContact O-CB 3.27Å; F28-D31 PolarHBondContact O-N 3.44Å; V29-D31 PolarHBondContact O-N 2.85Å; D31-K35 WeakPolarHBondContact O-CG 3.43Å; D31-K35 PolarHBondContact O-N 2.87Å
32	E	38.1	Very low	45.5	Very low	149 Å²	149	100.1 Å²	100.1	70%	0.696	52%	0.518	S	S	*	.	H	α-helix	trans	-77.6	-37.5	168.1	-73.8	-166.1	150.1	0	0	111.1	K35 E36	E32-K35 PolarHBondContact O-N 2.72Å; E32-E36 PolarHBondContact O-N 2.95Å
33	L	38.7	Very low	48.3	Very low	34 Å²	34	99 Å²	99	18%	0.178	51%	0.513	C	S	.	.	H	α-helix	trans	-64.5	-38.7	169	-95.7	141.6	0	0	0	112.2	V29 K35 E36 M37 Y284	V29-L33 HydrophobicContact CG1-CD1 4.15Å; V29-L33 PolarHBondContact O-N 2.61Å; V29-L33 VanDerWaalsContact O-N 3.14Å; L33-K35 PolarHBondContact O-N 3.2Å; L33-E36 CarbonylContact O-C 3.46Å; L33-E36 WeakPolarHBondContact O-CA 3.39Å; L33-E36 PolarHBondContact O-N 2.86Å; L33-M37 WeakPolarHBondContact O-CB 3.45Å; L33-M37 WeakPolarHBondContact O-CG 3.44Å; L33-M37 PolarHBondContact O-N 2.78Å; L33-Y284 WeakPolarHBondContact CD2-O 3.45Å
34	A	43.6	Very low	51.1	Low	49 Å²	49	96.3 Å²	96.3	41%	0.405	50%	0.496	S	S	.	.	H	α-helix	trans	-62.9	-31.2	174.2	0	0	0	0	0	112.3	G30 M37	G30-A34 WeakPolarHBondContact O-CA 3.28Å; G30-A34 WeakPolarHBondContact O-CB 3.02Å; G30-A34 PolarHBondContact O-N 2.67Å; A34-M37 PolarHBondContact O-N 3.05Å
35	K	43.4	Very low	53.4	Low	148 Å²	148	92.4 Å²	92.4	64%	0.643	48%	0.478	S	S	*	.	H	α-helix	trans	-74.3	-31.4	171.5	-77.7	174	-177.4	162.6	0	112.9	D31 E32 L33 M37 E38	D31-K35 WeakPolarHBondContact O-CG 3.43Å; D31-K35 PolarHBondContact O-N 2.87Å; E32-K35 PolarHBondContact O-N 2.72Å; L33-K35 PolarHBondContact O-N 3.2Å; K35-M37 VanDerWaalsContact C-N 3.34Å; K35-E38 WeakPolarHBondContact O-CB 2.89Å
36	E	46	Very low	56.2	Low	124 Å²	124	87 Å²	87	58%	0.579	45%	0.446	S	S	*	.	H	α-helix	trans	-76.2	-23.6	170	-70.4	-166.8	158.4	0	0	112.8	E32 L33 E38	E32-E36 PolarHBondContact O-N 2.95Å; L33-E36 CarbonylContact O-C 3.46Å; L33-E36 WeakPolarHBondContact O-CA 3.39Å; L33-E36 PolarHBondContact O-N 2.86Å; E36-E38 PolarHBondContact O-N 3Å
37	M	49.7	Very low	58.7	Low	44 Å²	44	84.1 Å²	84.1	22%	0.217	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-72.8	-3.1	171.9	-71.7	-163.8	83.3	0	0	114.4	L33 A34 K35 Q39 L40 T45 V277	L33-M37 WeakPolarHBondContact O-CB 3.45Å; L33-M37 WeakPolarHBondContact O-CG 3.44Å; L33-M37 PolarHBondContact O-N 2.78Å; A34-M37 PolarHBondContact O-N 3.05Å; K35-M37 VanDerWaalsContact C-N 3.34Å; M37-Q39 PolarHBondContact O-N 3.27Å; M37-L40 PolarHBondContact O-N 3.19Å; M37-T45 HydrophobicContact CE-CG2 4.43Å; M37-V277 HydrophobicContact CE-CB 4.26Å; M37-V277 HydrophobicContact CE-CG1 3.15Å; M37-V277 HydrophobicContact CE-CG2 4.1Å; M37-V277 HydrophobicContact SD-CG1 3.11Å; M37-V277 WeakPolarHBondContact SD-CG1 3.37Å
38	E	53.5	Low	61.5	Low	167 Å²	167	81 Å²	81	78%	0.78	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-61.2	1.4	172.6	-78.3	-167.9	150.5	0	0	114.4	K35 E36	K35-E38 WeakPolarHBondContact O-CB 2.89Å; E36-E38 PolarHBondContact O-N 3Å
39	Q	63.1	Low	64.1	Low	166 Å²	166	77.4 Å²	77.4	78%	0.776	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-94.9	-18.6	179.6	-61.2	-163.8	11.6	0	0	115.5	M37	M37-Q39 PolarHBondContact O-N 3.27Å
40	L	70.7	Confident	66.8	Low	44 Å²	44	76.3 Å²	76.3	23%	0.23	39%	0.39	C	S	.	.	S	Bend	trans	-114.1	131.4	-179.1	-63.9	178.6	0	0	0	111.1	M37 Q44 K48 L288	M37-L40 PolarHBondContact O-N 3.19Å; L40-Q44 HydrophobicContact CB-CB 4.13Å; L40-Q44 HydrophobicContact CD2-CB 4.03Å; L40-K48 HydrophobicContact CD1-CD 4.09Å; L40-L288 HydrophobicContact CD1-CB 4.49Å; L40-L288 WeakPolarHBondContact CD1-O 3.42Å
41	T	84.8	Confident	69.4	Low	64 Å²	64	78.8 Å²	78.8	39%	0.393	40%	0.398	S	S	.	.			trans	-67.3	156.6	169.8	79.9	0	0	0	0	110.1	E43 Q44 T45	T41-E43 VanDerWaalsContact CB-OE2 3.24Å; T41-E43 WeakPolarHBondContact CB-OE2 3.42Å; T41-E43 PolarHBondContact O-N 3.31Å; T41-E43 VanDerWaalsContact O-N 3.08Å; T41-E43 PolarHBondContact OG1-N 2.88Å; T41-E43 PolarHBondContact OG1-OE2 2.91Å; T41-Q44 WeakPolarHBondContact O-CA 3.36Å; T41-Q44 WeakPolarHBondContact O-CB 3.45Å; T41-Q44 PolarHBondContact O-N 2.98Å; T41-Q44 PolarHBondContact OG1-N 2.63Å; T41-T45 PolarHBondContact O-N 3.5Å; T41-T45 PolarHBondContact O-OG1 3.11Å
42	P	86.2	Confident	71.9	Confident	61 Å²	61	74.8 Å²	74.8	40%	0.396	38%	0.377	S	S	.	.	H	α-helix	trans	-50.7	-36.3	175	-29.1	36.4	0	0	0	113.2	T45 K46	P42-T45 PolarHBondContact O-N 3.4Å; P42-K46 WeakPolarHBondContact O-CB 3.14Å; P42-K46 VanDerWaalsContact O-CG 3.25Å; P42-K46 WeakPolarHBondContact O-CG 3.46Å; P42-K46 PolarHBondContact O-N 3.2Å
43	E	88.7	Confident	74.4	Confident	133 Å²	133	68 Å²	68	62%	0.621	35%	0.345	S	S	*	.	H	α-helix	trans	-65.8	-40.3	175.9	-58.8	75.8	-164.3	0	0	112.6	T41 A47	T41-E43 VanDerWaalsContact CB-OE2 3.24Å; T41-E43 WeakPolarHBondContact CB-OE2 3.42Å; T41-E43 PolarHBondContact O-N 3.31Å; T41-E43 VanDerWaalsContact O-N 3.08Å; T41-E43 PolarHBondContact OG1-N 2.88Å; T41-E43 PolarHBondContact OG1-OE2 2.91Å; E43-A47 WeakPolarHBondContact O-CB 3.34Å; E43-A47 PolarHBondContact O-N 3.41Å
44	Q	86.6	Confident	76.9	Confident	94 Å²	94	72.2 Å²	72.2	44%	0.439	36%	0.362	S	S	.	.	H	α-helix	trans	-69.2	-41.7	177.2	-66	175.5	-54.8	0	0	111.3	L40 T41 A47 K48	L40-Q44 HydrophobicContact CB-CB 4.13Å; L40-Q44 HydrophobicContact CD2-CB 4.03Å; T41-Q44 WeakPolarHBondContact O-CA 3.36Å; T41-Q44 WeakPolarHBondContact O-CB 3.45Å; T41-Q44 PolarHBondContact O-N 2.98Å; T41-Q44 PolarHBondContact OG1-N 2.63Å; Q44-A47 PolarHBondContact O-N 3.45Å; Q44-K48 PolarHBondContact O-N 2.84Å
45	T	86	Confident	79.2	Confident	5 Å²	5	72.3 Å²	72.3	3%	0.031	36%	0.362	C	S	.	.	H	α-helix	trans	-59.3	-50.1	174.7	-59.8	0	0	0	0	110.6	M37 T41 P42 A47 K48 L49 Y273 V277 L288	M37-T45 HydrophobicContact CE-CG2 4.43Å; T41-T45 PolarHBondContact O-N 3.5Å; T41-T45 PolarHBondContact O-OG1 3.11Å; P42-T45 PolarHBondContact O-N 3.4Å; T45-A47 VanDerWaalsContact C-N 3.34Å; T45-A47 PolarHBondContact O-N 2.96Å; T45-K48 PolarHBondContact O-N 3.18Å; T45-L49 WeakPolarHBondContact O-CB 3.26Å; T45-L49 PolarHBondContact O-N 3.26Å; T45-Y273 HydrophobicContact CG2-CD2 3.9Å; T45-Y273 HydrophobicContact CG2-CE2 4.35Å; T45-V277 HydrophobicContact CG2-CG2 3.49Å; T45-V277 VanDerWaalsContact CG2-CG2 3.49Å; T45-L288 HydrophobicContact CG2-CD1 3.95Å
46	K	91	Very high	81.6	Confident	63 Å²	63	65.3 Å²	65.3	27%	0.274	33%	0.332	S	S	.	.	H	α-helix	trans	-60.1	-40.7	176.2	-74.3	-176.9	-172	-145.4	0	112.5	P42 K48 L49 E50 L270 Y273	P42-K46 WeakPolarHBondContact O-CB 3.14Å; P42-K46 VanDerWaalsContact O-CG 3.25Å; P42-K46 WeakPolarHBondContact O-CG 3.46Å; P42-K46 PolarHBondContact O-N 3.2Å; K46-K48 PolarHBondContact O-N 2.88Å; K46-L49 PolarHBondContact O-N 2.82Å; K46-E50 WeakPolarHBondContact O-CB 3.38Å; K46-E50 PolarHBondContact O-N 2.95Å; K46-L270 HydrophobicContact CB-CD2 3.97Å; K46-L270 WeakPolarHBondContact CE-O 3.37Å; K46-L270 HydrophobicContact CG-CD2 4.2Å; K46-L270 PolarHBondContact NZ-O 3.43Å; K46-L270 WeakPolarHBondContact O-CD2 3.35Å; K46-Y273 VanDerWaalsContact CE-CD1 3.41Å; K46-Y273 HydrophobicContact CG-CG 4.18Å
47	A	89.9	Confident	83.9	Confident	49 Å²	49	60.3 Å²	60.3	41%	0.405	31%	0.31	S	S	.	.	H	α-helix	trans	-64	-39.9	177.7	0	0	0	0	0	112.7	E43 Q44 T45 I51	E43-A47 WeakPolarHBondContact O-CB 3.34Å; E43-A47 PolarHBondContact O-N 3.41Å; Q44-A47 PolarHBondContact O-N 3.45Å; T45-A47 VanDerWaalsContact C-N 3.34Å; T45-A47 PolarHBondContact O-N 2.96Å; A47-I51 WeakPolarHBondContact O-CG1 3.43Å; A47-I51 PolarHBondContact O-N 3.2Å
48	K	87.8	Confident	86	Confident	38 Å²	38	65.5 Å²	65.5	17%	0.165	33%	0.331	C	S	.	.	H	α-helix	trans	-71.5	-40.3	175.4	-69.9	-169.5	-178	-165.5	0	112	L40 Q44 T45 K46 E50 I51 L52 L288 K290 L296	L40-K48 HydrophobicContact CD1-CD 4.09Å; Q44-K48 PolarHBondContact O-N 2.84Å; T45-K48 PolarHBondContact O-N 3.18Å; K46-K48 PolarHBondContact O-N 2.88Å; K48-E50 VanDerWaalsContact C-N 3.31Å; K48-E50 PolarHBondContact O-N 3.14Å; K48-I51 WeakPolarHBondContact O-CB 3.35Å; K48-I51 PolarHBondContact O-N 2.99Å; K48-I51 VanDerWaalsContact O-N 3.14Å; K48-L52 PolarHBondContact O-N 3.15Å; K48-L288 HydrophobicContact CB-CD2 3.74Å; K48-L288 HydrophobicContact CD-CB 4.4Å; K48-L288 WeakPolarHBondContact CD-O 3.44Å; K48-L288 WeakPolarHBondContact CE-O 3.31Å; K48-L288 PolarHBondContact NZ-O 3.16Å; K48-K290 PolarHBondContact NZ-O 2.69Å; K48-L296 HydrophobicContact CB-CD1 4.29Å; K48-L296 HydrophobicContact CG-CD1 4.48Å
49	L	90.1	Very high	87.9	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60.6	-41.5	175.2	-173.2	58.1	0	0	0	111	T45 K46 I51 L52 I53 I269 L270 F276 T282	T45-L49 WeakPolarHBondContact O-CB 3.26Å; T45-L49 PolarHBondContact O-N 3.26Å; K46-L49 PolarHBondContact O-N 2.82Å; L49-I51 VanDerWaalsContact C-N 3.28Å; L49-I51 PolarHBondContact O-N 2.87Å; L49-L52 HydrophobicContact CD1-CD2 4.35Å; L49-L52 WeakPolarHBondContact O-CB 3.49Å; L49-L52 PolarHBondContact O-N 3.13Å; L49-L52 VanDerWaalsContact O-N 3.14Å; L49-I53 HydrophobicContact CD1-CD1 4.1Å; L49-I53 HydrophobicContact CD1-CG1 4.21Å; L49-I53 HydrophobicContact CG-CG1 4.26Å; L49-I53 WeakPolarHBondContact O-CG1 3.41Å; L49-I53 PolarHBondContact O-N 2.93Å; L49-I269 HydrophobicContact CD1-CG2 4.4Å; L49-I269 HydrophobicContact CD2-CG2 3.88Å; L49-I269 HydrophobicContact CG-CG2 4.12Å; L49-L270 HydrophobicContact CB-CD2 4.23Å; L49-L270 HydrophobicContact CD2-CD2 4.23Å; L49-L270 HydrophobicContact CG-CD2 4.31Å; L49-F276 HydrophobicContact CD1-CB 4.09Å; L49-F276 HydrophobicContact CD2-CB 4.03Å; L49-T282 HydrophobicContact CD1-CG2 4.17Å
50	E	92.3	Very high	89.4	Confident	66 Å²	66	62.1 Å²	62.1	31%	0.308	32%	0.315	S	S	.	.	H	α-helix	trans	-58.2	-38.5	174.7	176.7	176.4	177.6	0	0	112.8	K46 K48 K54 L266 L270	K46-E50 WeakPolarHBondContact O-CB 3.38Å; K46-E50 PolarHBondContact O-N 2.95Å; K48-E50 VanDerWaalsContact C-N 3.31Å; K48-E50 PolarHBondContact O-N 3.14Å; E50-K54 HydrophobicContact CG-CD 4.35Å; E50-K54 VanDerWaalsContact O-CG 3.28Å; E50-K54 WeakPolarHBondContact O-CG 3.49Å; E50-K54 PolarHBondContact O-N 2.74Å; E50-K54 WeakPolarHBondContact OE1-CE 3.35Å; E50-K54 IonicContact OE1-NZ 3.76Å; E50-K54 PolarHBondContact OE1-NZ 3.23Å; E50-L266 HydrophobicContact CB-CD1 4.17Å; E50-L266 HydrophobicContact CG-CD1 4.01Å; E50-L266 HydrophobicContact CG-CD2 3.9Å; E50-L270 HydrophobicContact CB-CD2 4.47Å
51	I	90.1	Very high	90.6	Very high	70 Å²	70	63.8 Å²	63.8	36%	0.359	32%	0.324	S	S	.	.	H	α-helix	trans	-67	-44.6	176.6	-64.1	170.4	0	0	0	110.2	A47 K48 L49 K54 A55 P293 L296	A47-I51 WeakPolarHBondContact O-CG1 3.43Å; A47-I51 PolarHBondContact O-N 3.2Å; K48-I51 WeakPolarHBondContact O-CB 3.35Å; K48-I51 PolarHBondContact O-N 2.99Å; K48-I51 VanDerWaalsContact O-N 3.14Å; L49-I51 VanDerWaalsContact C-N 3.28Å; L49-I51 PolarHBondContact O-N 2.87Å; I51-K54 PolarHBondContact O-N 3.46Å; I51-A55 PolarHBondContact O-N 3.21Å; I51-P293 HydrophobicContact CD1-CB 3.88Å; I51-P293 HydrophobicContact CD1-CG 4.3Å; I51-P293 HydrophobicContact CG2-CB 4.46Å; I51-L296 HydrophobicContact CB-CD1 4.14Å; I51-L296 HydrophobicContact CG2-CD1 3.97Å
52	L	90	Very high	91.1	Very high	2 Å²	2	63 Å²	63	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-61.6	-50.8	178.5	-178.3	63.8	0	0	0	111.6	K48 L49 K54 A55 I56 V281 T282 Q287	K48-L52 PolarHBondContact O-N 3.15Å; L49-L52 HydrophobicContact CD1-CD2 4.35Å; L49-L52 WeakPolarHBondContact O-CB 3.49Å; L49-L52 PolarHBondContact O-N 3.13Å; L49-L52 VanDerWaalsContact O-N 3.14Å; L52-K54 VanDerWaalsContact C-N 3.28Å; L52-K54 PolarHBondContact O-N 3Å; L52-A55 CarbonylContact O-C 3.47Å; L52-A55 WeakPolarHBondContact O-CA 3.43Å; L52-A55 WeakPolarHBondContact O-CB 3.47Å; L52-A55 PolarHBondContact O-N 3.46Å; L52-I56 HydrophobicContact CG-CD1 4.13Å; L52-I56 WeakPolarHBondContact O-CG1 3.33Å; L52-I56 PolarHBondContact O-N 3.44Å; L52-V281 HydrophobicContact CD2-CG1 4.04Å; L52-T282 HydrophobicContact CD2-CG2 3.77Å; L52-Q287 VanDerWaalsContact CD2-OE1 3.32Å
53	I	91.2	Very high	91.6	Very high	6 Å²	6	62.8 Å²	62.8	3%	0.031	32%	0.321	C	S	.	.	H	α-helix	trans	-59	-40.6	-179.7	-65	-41.4	0	0	0	111.4	L49 A55 I56 D57 L266 I269	L49-I53 HydrophobicContact CD1-CD1 4.1Å; L49-I53 HydrophobicContact CD1-CG1 4.21Å; L49-I53 HydrophobicContact CG-CG1 4.26Å; L49-I53 WeakPolarHBondContact O-CG1 3.41Å; L49-I53 PolarHBondContact O-N 2.93Å; I53-A55 PolarHBondContact O-N 3.08Å; I53-I56 HydrophobicContact CD1-CD1 3.91Å; I53-I56 WeakPolarHBondContact O-CB 3.43Å; I53-I56 PolarHBondContact O-N 3.33Å; I53-D57 PolarHBondContact O-N 2.86Å; I53-L266 HydrophobicContact CB-CD1 4.23Å; I53-L266 HydrophobicContact CG2-CD1 4.16Å; I53-I269 HydrophobicContact CB-CD1 4.42Å; I53-I269 HydrophobicContact CD1-CD1 3.73Å; I53-I269 HydrophobicContact CD1-CG2 3.81Å; I53-I269 HydrophobicContact CG1-CB 4.37Å; I53-I269 HydrophobicContact CG1-CD1 3.78Å; I53-I269 HydrophobicContact CG1-CG2 3.72Å; I53-I269 HydrophobicContact CG2-CD1 3.69Å
54	K	91.3	Very high	91.9	Very high	124 Å²	124	56.6 Å²	56.6	54%	0.539	29%	0.292	S	S	.	.	H	α-helix	trans	-63.8	-24	174.5	-73.8	173.5	-174.1	169.1	0	113.6	E50 I51 L52	E50-K54 HydrophobicContact CG-CD 4.35Å; E50-K54 VanDerWaalsContact O-CG 3.28Å; E50-K54 WeakPolarHBondContact O-CG 3.49Å; E50-K54 PolarHBondContact O-N 2.74Å; E50-K54 WeakPolarHBondContact OE1-CE 3.35Å; E50-K54 IonicContact OE1-NZ 3.76Å; E50-K54 PolarHBondContact OE1-NZ 3.23Å; I51-K54 PolarHBondContact O-N 3.46Å; L52-K54 VanDerWaalsContact C-N 3.28Å; L52-K54 PolarHBondContact O-N 3Å
55	A	90.8	Very high	92.4	Very high	50 Å²	50	54.5 Å²	54.5	41%	0.413	28%	0.284	S	S	.	.	H	α-helix	trans	-83.5	-26.5	173.5	0	0	0	0	0	112.1	I51 L52 I53 K58	I51-A55 PolarHBondContact O-N 3.21Å; L52-A55 CarbonylContact O-C 3.47Å; L52-A55 WeakPolarHBondContact O-CA 3.43Å; L52-A55 WeakPolarHBondContact O-CB 3.47Å; L52-A55 PolarHBondContact O-N 3.46Å; I53-A55 PolarHBondContact O-N 3.08Å; A55-K58 PolarHBondContact O-NZ 2.91Å
56	I	93.2	Very high	92.8	Very high	1 Å²	1	57 Å²	57	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-72.3	-46.4	175	-64.6	175.3	0	0	0	110.6	L52 I53 K58 T64 E68 H72 V281	L52-I56 HydrophobicContact CG-CD1 4.13Å; L52-I56 WeakPolarHBondContact O-CG1 3.33Å; L52-I56 PolarHBondContact O-N 3.44Å; I53-I56 HydrophobicContact CD1-CD1 3.91Å; I53-I56 WeakPolarHBondContact O-CB 3.43Å; I53-I56 PolarHBondContact O-N 3.33Å; I56-K58 WeakPolarHBondContact O-CG 3.43Å; I56-K58 PolarHBondContact O-N 3.18Å; I56-T64 HydrophobicContact CG2-CG2 3.81Å; I56-E68 HydrophobicContact CG2-CB 4.06Å; I56-H72 HydrophobicContact CD1-CB 4.18Å; I56-H72 VanDerWaalsContact CD1-CD2 3.42Å; I56-H72 WeakPolarHBondContact CD1-CD2 3.4Å; I56-H72 HydrophobicContact CG1-CB 3.98Å; I56-H72 HydrophobicContact CG2-CB 4.16Å; I56-V281 HydrophobicContact CD1-CG1 3.81Å
57	D	94.9	Very high	93.1	Very high	20 Å²	20	59.8 Å²	59.8	11%	0.107	31%	0.31	C	S	.	.			trans	-60.3	92.3	174.7	176.8	5.7	0	0	0	110.5	I53 N59 K60 D61 G62 F63	I53-D57 PolarHBondContact O-N 2.86Å; D57-N59 PolarHBondContact OD1-OD1 2.97Å; D57-K60 WeakPolarHBondContact OD1-CA 3.21Å; D57-K60 PolarHBondContact OD1-N 3.09Å; D57-K60 WeakPolarHBondContact OD2-CA 3.44Å; D57-D61 PolarHBondContact OD1-N 3.18Å; D57-G62 WeakPolarHBondContact OD2-CA 3.45Å; D57-G62 PolarHBondContact OD2-N 3.43Å; D57-F63 WeakPolarHBondContact CB-O 3.49Å; D57-F63 VanDerWaalsContact CG-O 3.28Å
58	K	93.5	Very high	93.5	Very high	153 Å²	153	58.3 Å²	58.3	67%	0.665	29%	0.294	S	S	*	.	S	Bend	trans	-79.7	-36.6	-176.1	-62.8	-47.9	-178.2	-167.2	0	110.5	A55 I56 K60 E68	A55-K58 PolarHBondContact O-NZ 2.91Å; I56-K58 WeakPolarHBondContact O-CG 3.43Å; I56-K58 PolarHBondContact O-N 3.18Å; K58-K60 VanDerWaalsContact C-N 3.31Å; K58-E68 PolarHBondContact N-OE1 3.12Å
59	N	94.6	Very high	93.8	Very high	83 Å²	83	56.5 Å²	56.5	44%	0.444	29%	0.287	S	S	.	.	S	Bend	trans	-80.7	-15.8	-175.2	79.1	27.9	0	0	0	112.3	D57 D61 E68	D57-N59 PolarHBondContact OD1-OD1 2.97Å; N59-D61 PolarHBondContact ND2-OD2 3.49Å; N59-D61 WeakPolarHBondContact OD1-CB 3.41Å; N59-D61 PolarHBondContact OD1-N 3.05Å; N59-D61 PolarHBondContact OD1-OD1 2.75Å; N59-D61 PolarHBondContact OD1-OD2 2.94Å; N59-E68 PolarHBondContact N-OE1 3.27Å; N59-E68 VanDerWaalsContact N-OE1 3.12Å
60	K	93.9	Very high	94	Very high	178 Å²	178	57.9 Å²	57.9	77%	0.774	29%	0.292	S	S	*	.			trans	63.8	32.2	179	-53.9	-175.4	-179.5	-175.8	0	114.1	D57 K58 G62	D57-K60 WeakPolarHBondContact OD1-CA 3.21Å; D57-K60 PolarHBondContact OD1-N 3.09Å; D57-K60 WeakPolarHBondContact OD2-CA 3.44Å; K58-K60 VanDerWaalsContact C-N 3.31Å; K60-G62 VanDerWaalsContact C-N 3.27Å
61	D	95.5	Very high	94.2	Very high	80 Å²	80	57.6 Å²	57.6	43%	0.428	30%	0.301	S	S	.	.	S	Bend	trans	-83.8	-5.6	176.2	75.1	8	0	0	0	113	D57 N59 F63	D57-D61 PolarHBondContact OD1-N 3.18Å; N59-D61 PolarHBondContact ND2-OD2 3.49Å; N59-D61 WeakPolarHBondContact OD1-CB 3.41Å; N59-D61 PolarHBondContact OD1-N 3.05Å; N59-D61 PolarHBondContact OD1-OD1 2.75Å; N59-D61 PolarHBondContact OD1-OD2 2.94Å; D61-F63 VanDerWaalsContact C-N 3.35Å; D61-F63 WeakPolarHBondContact O-CD2 3.33Å; D61-F63 WeakPolarHBondContact OD1-CA 3.41Å; D61-F63 WeakPolarHBondContact OD1-CB 3.24Å; D61-F63 PolarHBondContact OD1-N 3.11Å
62	G	94.7	Very high	94.4	Very high	46 Å²	46	55.3 Å²	55.3	47%	0.474	29%	0.289	S	S	.	.	S	Bend	trans	86.5	5.4	178.9	0	0	0	0	0	114.1	D57 K60	D57-G62 WeakPolarHBondContact OD2-CA 3.45Å; D57-G62 PolarHBondContact OD2-N 3.43Å; K60-G62 VanDerWaalsContact C-N 3.27Å
63	F	96.8	Very high	94.4	Very high	58 Å²	58	55.2 Å²	55.2	25%	0.254	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	169.1	173.2	-59.3	-92.9	0	0	0	110.1	D57 D61 K263 L264	D57-F63 WeakPolarHBondContact CB-O 3.49Å; D57-F63 VanDerWaalsContact CG-O 3.28Å; D61-F63 VanDerWaalsContact C-N 3.35Å; D61-F63 WeakPolarHBondContact O-CD2 3.33Å; D61-F63 WeakPolarHBondContact OD1-CA 3.41Å; D61-F63 WeakPolarHBondContact OD1-CB 3.24Å; D61-F63 PolarHBondContact OD1-N 3.11Å; F63-K263 HydrophobicContact CB-CB 4.28Å; F63-K263 HydrophobicContact CB-CD 3.78Å; F63-K263 HydrophobicContact CB-CG 4.21Å; F63-K263 HydrophobicContact CD1-CD 3.77Å; F63-K263 HydrophobicContact CD1-CG 3.95Å; F63-K263 HydrophobicContact CD2-CD 4.29Å; F63-K263 HydrophobicContact CE1-CD 4.44Å; F63-K263 HydrophobicContact CG-CD 3.68Å; F63-K263 HydrophobicContact CG-CG 4.26Å; F63-L264 CarbonylContact C-O 3.59Å; F63-L264 WeakPolarHBondContact CA-O 3.23Å
64	T	96.2	Very high	94.4	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.012	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	108.6	174.5	-69.7	0	0	0	0	107.1	I56 L69 L264 I269	I56-T64 HydrophobicContact CG2-CG2 3.81Å; T64-L69 HydrophobicContact CG2-CD1 4.05Å; T64-L69 HydrophobicContact CG2-CD2 3.52Å; T64-L69 HydrophobicContact CG2-CG 3.43Å; T64-L69 VanDerWaalsContact CG2-CG 3.43Å; T64-L264 PolarHBondContact N-O 3.03Å; T64-L264 PolarHBondContact O-N 3.42Å; T64-I269 HydrophobicContact CG2-CD1 4.43Å
65	D	96	Very high	94.4	Very high	50 Å²	50	58.8 Å²	58.8	27%	0.267	31%	0.305	S	S	.	.			trans	-90.7	175.3	-178	70.9	32.7	0	0	0	112.8	E67 E68 L69 K263	D65-E67 VanDerWaalsContact C-N 3.3Å; D65-E67 PolarHBondContact O-N 3.14Å; D65-E67 PolarHBondContact OD1-N 3.49Å; D65-E68 PolarHBondContact N-OE2 3.01Å; D65-E68 PolarHBondContact O-N 3.2Å; D65-E68 WeakPolarHBondContact OD1-CG 2.86Å; D65-E68 PolarHBondContact OD1-N 3.1Å; D65-L69 WeakPolarHBondContact O-CG 3.46Å; D65-L69 PolarHBondContact O-N 2.91Å; D65-K263 HydrophobicContact CB-CB 4.29Å
66	E	96.2	Very high	94.2	Very high	57 Å²	57	56.5 Å²	56.5	27%	0.266	29%	0.286	S	S	.	.	H	α-helix	trans	-58.4	-40.1	-179.1	-170.4	-174.6	133.6	0	0	112.4	K70 A249 K250 I253	E66-K70 WeakPolarHBondContact O-CB 3.47Å; E66-K70 PolarHBondContact O-N 3.35Å; E66-A249 HydrophobicContact CG-CB 4.22Å; E66-K250 VanDerWaalsContact CD-CE 3.42Å; E66-K250 HydrophobicContact CG-CG 4.25Å; E66-K250 WeakPolarHBondContact OE1-CE 3.44Å; E66-K250 IonicContact OE1-NZ 3.44Å; E66-K250 WeakPolarHBondContact OE2-CE 3.41Å; E66-I253 HydrophobicContact CB-CD1 3.6Å; E66-I253 HydrophobicContact CG-CD1 4.15Å
67	E	96.6	Very high	93.7	Very high	123 Å²	123	59.3 Å²	59.3	58%	0.575	30%	0.3	S	S	*	.	H	α-helix	trans	-71.6	-39.7	-176.9	-69.7	-64.5	144.3	0	0	111.2	D65 A71	D65-E67 VanDerWaalsContact C-N 3.3Å; D65-E67 PolarHBondContact O-N 3.14Å; D65-E67 PolarHBondContact OD1-N 3.49Å; E67-A71 VanDerWaalsContact O-CB 3.22Å; E67-A71 WeakPolarHBondContact O-CB 3.1Å; E67-A71 PolarHBondContact O-N 3.37Å
68	E	97.1	Very high	93.4	Very high	18 Å²	18	64.7 Å²	64.7	8%	0.084	32%	0.322	C	S	.	.	H	α-helix	trans	-65.3	-44.9	175	-69.9	-179.8	146.2	0	0	111.8	I56 K58 N59 D65 A71 H72	I56-E68 HydrophobicContact CG2-CB 4.06Å; K58-E68 PolarHBondContact N-OE1 3.12Å; N59-E68 PolarHBondContact N-OE1 3.27Å; N59-E68 VanDerWaalsContact N-OE1 3.12Å; D65-E68 PolarHBondContact N-OE2 3.01Å; D65-E68 PolarHBondContact O-N 3.2Å; D65-E68 WeakPolarHBondContact OD1-CG 2.86Å; D65-E68 PolarHBondContact OD1-N 3.1Å; E68-A71 PolarHBondContact O-N 3Å; E68-H72 WeakPolarHBondContact O-CB 3.22Å; E68-H72 PolarHBondContact O-N 3.35Å
69	L	95.2	Very high	93.1	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.5	-50.3	174.5	-77	170	0	0	0	111.6	T64 D65 A71 H72 I73 A249 I253 L264 F276 V281	T64-L69 HydrophobicContact CG2-CD1 4.05Å; T64-L69 HydrophobicContact CG2-CD2 3.52Å; T64-L69 HydrophobicContact CG2-CG 3.43Å; T64-L69 VanDerWaalsContact CG2-CG 3.43Å; D65-L69 WeakPolarHBondContact O-CG 3.46Å; D65-L69 PolarHBondContact O-N 2.91Å; L69-A71 VanDerWaalsContact C-N 3.33Å; L69-A71 PolarHBondContact O-N 2.93Å; L69-H72 PolarHBondContact O-N 2.97Å; L69-H72 VanDerWaalsContact O-N 3.16Å; L69-I73 WeakPolarHBondContact O-CD1 3.36Å; L69-I73 VanDerWaalsContact O-CG1 3.28Å; L69-I73 WeakPolarHBondContact O-CG1 3.37Å; L69-I73 PolarHBondContact O-N 3.05Å; L69-A249 HydrophobicContact CB-CB 3.8Å; L69-I253 HydrophobicContact CD1-CD1 4.13Å; L69-I253 HydrophobicContact CD1-CG1 3.81Å; L69-L264 HydrophobicContact CD1-CD1 4.13Å; L69-F276 HydrophobicContact CD2-CE1 4.32Å; L69-V281 HydrophobicContact CD2-CG2 4.14Å
70	K	94.8	Very high	92.6	Very high	28 Å²	28	61.8 Å²	61.8	12%	0.122	30%	0.301	C	S	.	.	H	α-helix	trans	-57.6	-46.2	179.2	176.9	178.6	176.6	169.2	0	111.1	E66 H72 I73 K74 D243 A245 E246 A249	E66-K70 WeakPolarHBondContact O-CB 3.47Å; E66-K70 PolarHBondContact O-N 3.35Å; K70-H72 VanDerWaalsContact C-N 3.34Å; K70-H72 PolarHBondContact O-N 2.83Å; K70-I73 PolarHBondContact O-N 3.45Å; K70-K74 WeakPolarHBondContact O-CG 3.14Å; K70-K74 PolarHBondContact O-N 3.01Å; K70-D243 WeakPolarHBondContact CE-OD2 3.45Å; K70-D243 IonicContact NZ-OD2 2.98Å; K70-D243 PolarHBondContact NZ-OD2 3.43Å; K70-A245 HydrophobicContact CG-CB 4.16Å; K70-E246 HydrophobicContact CD-CB 3.88Å; K70-E246 HydrophobicContact CD-CG 4.22Å; K70-E246 HydrophobicContact CG-CB 4.47Å; K70-E246 IonicContact NZ-OE2 2.75Å; K70-E246 PolarHBondContact NZ-OE2 3.44Å; K70-A249 HydrophobicContact CB-CB 4.11Å
71	A	95.2	Very high	92.2	Very high	60 Å²	60	55.2 Å²	55.2	50%	0.496	27%	0.274	S	S	.	.	H	α-helix	trans	-62.9	-40.6	177.7	0	0	0	0	0	112.2	E67 E68 L69 H75	E67-A71 VanDerWaalsContact O-CB 3.22Å; E67-A71 WeakPolarHBondContact O-CB 3.1Å; E67-A71 PolarHBondContact O-N 3.37Å; E68-A71 PolarHBondContact O-N 3Å; L69-A71 VanDerWaalsContact C-N 3.33Å; L69-A71 PolarHBondContact O-N 2.93Å; A71-H75 PolarHBondContact O-N 2.98Å; A71-H75 VanDerWaalsContact O-N 3.07Å
72	H	94.1	Very high	91.9	Very high	22 Å²	22	54.6 Å²	54.6	10%	0.102	27%	0.271	C	S	.	.	H	α-helix	trans	-65.9	-46.8	175.9	-177.9	70.9	0	0	0	112.1	I56 E68 L69 K70 K74 H75 M76 V281	I56-H72 HydrophobicContact CD1-CB 4.18Å; I56-H72 VanDerWaalsContact CD1-CD2 3.42Å; I56-H72 WeakPolarHBondContact CD1-CD2 3.4Å; I56-H72 HydrophobicContact CG1-CB 3.98Å; I56-H72 HydrophobicContact CG2-CB 4.16Å; E68-H72 WeakPolarHBondContact O-CB 3.22Å; E68-H72 PolarHBondContact O-N 3.35Å; L69-H72 PolarHBondContact O-N 2.97Å; L69-H72 VanDerWaalsContact O-N 3.16Å; K70-H72 VanDerWaalsContact C-N 3.34Å; K70-H72 PolarHBondContact O-N 2.83Å; H72-K74 VanDerWaalsContact C-N 3.32Å; H72-K74 PolarHBondContact O-N 3.13Å; H72-H75 WeakPolarHBondContact O-CA 3.3Å; H72-H75 VanDerWaalsContact O-CB 3.32Å; H72-H75 WeakPolarHBondContact O-CB 3.41Å; H72-H75 PolarHBondContact O-N 2.91Å; H72-M76 WeakPolarHBondContact NE2-CG 3.33Å; H72-M76 WeakPolarHBondContact O-CG 3.39Å; H72-M76 PolarHBondContact O-N 3.38Å; H72-V281 PolarHBondContact NE2-O 3.15Å
73	I	90.8	Very high	91.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59	-43.3	177.6	-68.1	159.8	0	0	0	110.7	L69 K70 H75 M76 Q77 A245 E248 A249 L252 Q280 V281	L69-I73 WeakPolarHBondContact O-CD1 3.36Å; L69-I73 VanDerWaalsContact O-CG1 3.28Å; L69-I73 WeakPolarHBondContact O-CG1 3.37Å; L69-I73 PolarHBondContact O-N 3.05Å; K70-I73 PolarHBondContact O-N 3.45Å; I73-H75 VanDerWaalsContact C-N 3.32Å; I73-H75 PolarHBondContact O-N 3.01Å; I73-M76 PolarHBondContact O-N 2.87Å; I73-M76 VanDerWaalsContact O-N 3.15Å; I73-Q77 HydrophobicContact CG2-CG 4.4Å; I73-Q77 WeakPolarHBondContact O-CG 3.45Å; I73-Q77 PolarHBondContact O-N 3.06Å; I73-A245 HydrophobicContact CB-CB 4.05Å; I73-A245 HydrophobicContact CG2-CB 3.7Å; I73-E248 HydrophobicContact CD1-CB 4.08Å; I73-E248 HydrophobicContact CD1-CG 3.73Å; I73-A249 HydrophobicContact CD1-CB 4.12Å; I73-L252 HydrophobicContact CD1-CD1 4.18Å; I73-Q280 HydrophobicContact CG2-CB 3.95Å; I73-Q280 VanDerWaalsContact CG2-OE1 3.27Å; I73-V281 HydrophobicContact CD1-CG2 4.21Å; I73-V281 HydrophobicContact CG1-CG2 3.95Å
74	K	91	Very high	91.1	Very high	90 Å²	90	53.6 Å²	53.6	39%	0.391	26%	0.257	S	S	.	.	H	α-helix	trans	-60.8	-40.1	173.7	-72.8	-172.9	-179.4	-170.7	0	112.8	K70 H72 M76 K78 D243 A245	K70-K74 WeakPolarHBondContact O-CG 3.14Å; K70-K74 PolarHBondContact O-N 3.01Å; H72-K74 VanDerWaalsContact C-N 3.32Å; H72-K74 PolarHBondContact O-N 3.13Å; K74-M76 VanDerWaalsContact C-N 3.31Å; K74-K78 PolarHBondContact O-N 2.72Å; K74-K78 VanDerWaalsContact O-N 3.13Å; K74-D243 WeakPolarHBondContact CE-OD1 3.44Å; K74-D243 VanDerWaalsContact CE-OD2 3.3Å; K74-D243 WeakPolarHBondContact CE-OD2 3.31Å; K74-D243 IonicContact NZ-OD1 3.98Å; K74-D243 PolarHBondContact NZ-OD1 3.08Å; K74-D243 IonicContact NZ-OD2 3.62Å; K74-D243 PolarHBondContact NZ-OD2 3.44Å; K74-A245 HydrophobicContact CD-CB 4.3Å; K74-A245 HydrophobicContact CG-CB 3.43Å; K74-A245 VanDerWaalsContact CG-CB 3.43Å
75	H	90.8	Very high	90.9	Very high	115 Å²	115	54.1 Å²	54.1	53%	0.532	26%	0.26	S	S	.	.	H	α-helix	trans	-62.5	-42.3	175	179.7	67.3	0	0	0	111.3	A71 H72 I73 K78 R79	A71-H75 PolarHBondContact O-N 2.98Å; A71-H75 VanDerWaalsContact O-N 3.07Å; H72-H75 WeakPolarHBondContact O-CA 3.3Å; H72-H75 VanDerWaalsContact O-CB 3.32Å; H72-H75 WeakPolarHBondContact O-CB 3.41Å; H72-H75 PolarHBondContact O-N 2.91Å; I73-H75 VanDerWaalsContact C-N 3.32Å; I73-H75 PolarHBondContact O-N 3.01Å; H75-K78 PolarHBondContact O-N 2.97Å; H75-R79 WeakPolarHBondContact O-CB 3.44Å; H75-R79 PolarHBondContact O-N 3.12Å
76	M	86.4	Confident	90.7	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.015	27%	0.268	C	S	.	.	H	α-helix	trans	-65.5	-46.1	178.1	-69.4	-46.4	-59.1	0	0	112.9	H72 I73 K74 K78 R79 Y80 D283 Q287	H72-M76 WeakPolarHBondContact NE2-CG 3.33Å; H72-M76 WeakPolarHBondContact O-CG 3.39Å; H72-M76 PolarHBondContact O-N 3.38Å; I73-M76 PolarHBondContact O-N 2.87Å; I73-M76 VanDerWaalsContact O-N 3.15Å; K74-M76 VanDerWaalsContact C-N 3.31Å; M76-K78 VanDerWaalsContact C-N 3.33Å; M76-K78 PolarHBondContact O-N 2.88Å; M76-R79 WeakPolarHBondContact O-CB 3.37Å; M76-R79 PolarHBondContact O-N 3.41Å; M76-R79 VanDerWaalsContact O-N 3.12Å; M76-Y80 WeakPolarHBondContact O-CB 3.36Å; M76-Y80 PolarHBondContact O-N 3.02Å; M76-D283 HydrophobicContact CE-CB 3.79Å; M76-Q287 HydrophobicContact CE-CG 3.45Å; M76-Q287 VanDerWaalsContact CE-CG 3.45Å; M76-Q287 VanDerWaalsContact SD-CD 3.59Å; M76-Q287 HydrophobicContact SD-CG 4.37Å; M76-Q287 PolarHBondContact SD-NE2 3.3Å
77	Q	84.2	Confident	90.4	Very high	60 Å²	60	59.3 Å²	59.3	28%	0.28	28%	0.281	S	S	.	.	H	α-helix	trans	-56	-47.1	174.7	-71.5	170.4	-8.8	0	0	111.5	I73 R79 Y80 L81	I73-Q77 HydrophobicContact CG2-CG 4.4Å; I73-Q77 WeakPolarHBondContact O-CG 3.45Å; I73-Q77 PolarHBondContact O-N 3.06Å; Q77-R79 PolarHBondContact O-N 3.42Å; Q77-Y80 PolarHBondContact O-N 3.23Å; Q77-L81 WeakPolarHBondContact O-CG 3.31Å; Q77-L81 PolarHBondContact O-N 2.83Å; Q77-L81 VanDerWaalsContact O-N 3.09Å
78	K	88.9	Confident	90.1	Very high	132 Å²	132	54.4 Å²	54.4	57%	0.574	26%	0.261	S	S	*	.	H	α-helix	trans	-61.8	-44	176.3	-177.3	177.2	179.6	177.4	0	112	K74 H75 M76 L81 D82	K74-K78 PolarHBondContact O-N 2.72Å; K74-K78 VanDerWaalsContact O-N 3.13Å; H75-K78 PolarHBondContact O-N 2.97Å; M76-K78 VanDerWaalsContact C-N 3.33Å; M76-K78 PolarHBondContact O-N 2.88Å; K78-L81 PolarHBondContact O-N 3.39Å; K78-D82 WeakPolarHBondContact O-CB 3.5Å; K78-D82 PolarHBondContact O-N 3.41Å
79	R	86.9	Confident	89.9	Confident	88 Å²	88	55.3 Å²	55.3	33%	0.332	26%	0.263	S	S	.	.	H	α-helix	trans	-63	-42.7	179.2	-178.4	-174.4	167.6	94.5	9.9	111.4	H75 M76 Q77 D82 N83	H75-R79 WeakPolarHBondContact O-CB 3.44Å; H75-R79 PolarHBondContact O-N 3.12Å; M76-R79 WeakPolarHBondContact O-CB 3.37Å; M76-R79 PolarHBondContact O-N 3.41Å; M76-R79 VanDerWaalsContact O-N 3.12Å; Q77-R79 PolarHBondContact O-N 3.42Å; R79-D82 PolarHBondContact O-N 2.94Å; R79-N83 VanDerWaalsContact O-CB 3.3Å; R79-N83 WeakPolarHBondContact O-CB 3.38Å; R79-N83 PolarHBondContact O-N 2.77Å; R79-N83 PolarHBondContact O-ND2 3.24Å
80	Y	83	Confident	89.8	Confident	87 Å²	87	59.4 Å²	59.4	34%	0.341	29%	0.292	S	S	.	.	H	α-helix	trans	-57.3	-51.8	175.8	173.5	-91.8	0	0	0	110.6	M76 Q77 D82 N83 D84 D283	M76-Y80 WeakPolarHBondContact O-CB 3.36Å; M76-Y80 PolarHBondContact O-N 3.02Å; Q77-Y80 PolarHBondContact O-N 3.23Å; Y80-D82 PolarHBondContact O-N 2.79Å; Y80-N83 PolarHBondContact O-N 3.18Å; Y80-D84 PolarHBondContact O-N 2.81Å; Y80-D283 WeakPolarHBondContact CD2-OD1 3.26Å
81	L	86.5	Confident	89.6	Confident	41 Å²	41	63.5 Å²	63.5	22%	0.215	32%	0.315	C	S	.	.	H	α-helix	trans	-57.1	-50.9	176.1	-66.5	171.4	0	0	0	111.4	Q77 K78 N83 D84 I85 H157	Q77-L81 WeakPolarHBondContact O-CG 3.31Å; Q77-L81 PolarHBondContact O-N 2.83Å; Q77-L81 VanDerWaalsContact O-N 3.09Å; K78-L81 PolarHBondContact O-N 3.39Å; L81-N83 VanDerWaalsContact C-N 3.29Å; L81-N83 PolarHBondContact O-N 2.89Å; L81-D84 PolarHBondContact O-N 2.88Å; L81-I85 WeakPolarHBondContact O-CB 3.45Å; L81-I85 WeakPolarHBondContact O-CD1 3.33Å; L81-I85 WeakPolarHBondContact O-CG1 3.29Å; L81-I85 PolarHBondContact O-N 2.7Å; L81-H157 HydrophobicContact CD2-CB 3.71Å
82	D	89.7	Confident	89.4	Confident	66 Å²	66	61.5 Å²	61.5	35%	0.353	30%	0.295	S	S	.	.	H	α-helix	trans	-59.9	-39	-180	-79.9	-28.7	0	0	0	112.2	K78 R79 Y80 T86 R149	K78-D82 WeakPolarHBondContact O-CB 3.5Å; K78-D82 PolarHBondContact O-N 3.41Å; R79-D82 PolarHBondContact O-N 2.94Å; Y80-D82 PolarHBondContact O-N 2.79Å; D82-T86 VanDerWaalsContact O-CB 3.29Å; D82-T86 WeakPolarHBondContact O-CB 3.17Å; D82-T86 PolarHBondContact O-N 3.14Å; D82-T86 PolarHBondContact O-OG1 3.44Å; D82-R149 PolarHBondContact O-NH2 3.06Å
83	N	86.6	Confident	89.1	Confident	58 Å²	58	64.2 Å²	64.2	31%	0.31	31%	0.311	S	S	.	.	H	α-helix	trans	-69.6	-46	177.5	-74.3	-15.4	0	0	0	111.6	R79 Y80 L81 T86 R87	R79-N83 VanDerWaalsContact O-CB 3.3Å; R79-N83 WeakPolarHBondContact O-CB 3.38Å; R79-N83 PolarHBondContact O-N 2.77Å; R79-N83 PolarHBondContact O-ND2 3.24Å; Y80-N83 PolarHBondContact O-N 3.18Å; L81-N83 VanDerWaalsContact C-N 3.29Å; L81-N83 PolarHBondContact O-N 2.89Å; N83-T86 PolarHBondContact O-N 3.28Å; N83-R87 VanDerWaalsContact O-CB 3.28Å; N83-R87 WeakPolarHBondContact O-CB 3.34Å; N83-R87 PolarHBondContact O-N 2.87Å
84	D	87.8	Confident	89	Confident	25 Å²	25	68.5 Å²	68.5	13%	0.134	35%	0.346	C	S	.	.	H	α-helix	trans	-64.5	-44.5	179.9	-168.5	38.9	0	0	0	111	Y80 L81 T86 R87 S88 H157	Y80-D84 PolarHBondContact O-N 2.81Å; L81-D84 PolarHBondContact O-N 2.88Å; D84-T86 VanDerWaalsContact C-N 3.33Å; D84-T86 PolarHBondContact O-N 3.29Å; D84-R87 PolarHBondContact O-N 3.18Å; D84-R87 IonicContact OD1-CZ 2.64Å; D84-R87 IonicContact OD1-NE 2.7Å; D84-R87 PolarHBondContact OD1-NE 2.92Å; D84-R87 IonicContact OD1-NH2 3.52Å; D84-R87 PolarHBondContact OD1-NH2 2.77Å; D84-S88 WeakPolarHBondContact O-CB 3.44Å; D84-S88 PolarHBondContact O-N 2.99Å; D84-H157 IonicContact OD2-CE1 2.67Å; D84-H157 PolarHBondContact OD2-CE1 2.87Å; D84-H157 IonicContact OD2-NE2 3.93Å; D84-H157 PolarHBondContact OD2-NE2 3.4Å
85	I	90.3	Very high	88.9	Confident	14 Å²	14	73 Å²	73	7%	0.072	37%	0.365	C	S	.	.	H	α-helix	trans	-58	-46.6	172.7	-64.4	165.8	0	0	0	110.2	L81 W89 R149 G153 L156	L81-I85 WeakPolarHBondContact O-CB 3.45Å; L81-I85 WeakPolarHBondContact O-CD1 3.33Å; L81-I85 WeakPolarHBondContact O-CG1 3.29Å; L81-I85 PolarHBondContact O-N 2.7Å; I85-W89 WeakPolarHBondContact O-CB 3.3Å; I85-W89 PolarHBondContact O-N 3.4Å; I85-R149 HydrophobicContact CG2-CG 4.17Å; I85-G153 VanDerWaalsContact CD1-CA 3.45Å; I85-L156 HydrophobicContact CG1-CD2 4.39Å
86	T	92.6	Very high	88.9	Confident	70 Å²	70	68.8 Å²	68.8	43%	0.429	35%	0.349	S	S	.	.	H	α-helix	trans	-62.5	-48.5	179.6	-60.8	0	0	0	0	112	D82 N83 D84 W89 S90 R149	D82-T86 VanDerWaalsContact O-CB 3.29Å; D82-T86 WeakPolarHBondContact O-CB 3.17Å; D82-T86 PolarHBondContact O-N 3.14Å; D82-T86 PolarHBondContact O-OG1 3.44Å; N83-T86 PolarHBondContact O-N 3.28Å; D84-T86 VanDerWaalsContact C-N 3.33Å; D84-T86 PolarHBondContact O-N 3.29Å; T86-W89 PolarHBondContact O-N 3.24Å; T86-S90 WeakPolarHBondContact O-CB 3.5Å; T86-S90 PolarHBondContact O-N 3.02Å; T86-R149 PolarHBondContact OG1-NH2 2.85Å
87	R	90.1	Very high	89.3	Confident	145 Å²	145	70.4 Å²	70.4	55%	0.547	36%	0.358	S	S	.	.	H	α-helix	trans	-58.8	-52.3	178.6	178	176.8	62.7	-174.6	0.2	110.3	N83 D84 S90	N83-R87 VanDerWaalsContact O-CB 3.28Å; N83-R87 WeakPolarHBondContact O-CB 3.34Å; N83-R87 PolarHBondContact O-N 2.87Å; D84-R87 PolarHBondContact O-N 3.18Å; D84-R87 IonicContact OD1-CZ 2.64Å; D84-R87 IonicContact OD1-NE 2.7Å; D84-R87 PolarHBondContact OD1-NE 2.92Å; D84-R87 IonicContact OD1-NH2 3.52Å; D84-R87 PolarHBondContact OD1-NH2 2.77Å; R87-S90 PolarHBondContact O-N 2.67Å; R87-S90 PolarHBondContact O-OG 3.45Å
88	S	90.6	Very high	89.6	Confident	21 Å²	21	70.9 Å²	70.9	15%	0.147	36%	0.364	C	S	.	.	H	α-helix	trans	-60	-48	177.9	-171	0	0	0	0	111.9	D84 S90 N91 Y152	D84-S88 WeakPolarHBondContact O-CB 3.44Å; D84-S88 PolarHBondContact O-N 2.99Å; S88-S90 VanDerWaalsContact C-N 3.3Å; S88-S90 PolarHBondContact O-N 2.77Å; S88-N91 WeakPolarHBondContact O-CB 3.29Å; S88-N91 PolarHBondContact O-N 3.27Å; S88-N91 VanDerWaalsContact O-N 3.16Å; S88-Y152 PolarHBondContact OG-OH 3.39Å
89	W	93.3	Very high	89.8	Confident	37 Å²	37	72.4 Å²	72.4	14%	0.14	38%	0.379	C	S	.	.	H	α-helix	trans	-62.3	-34.7	178.9	-171	-94	0	0	0	113	I85 T86 N91 F92 L97 G100 L102 R149 Y152	I85-W89 WeakPolarHBondContact O-CB 3.3Å; I85-W89 PolarHBondContact O-N 3.4Å; T86-W89 PolarHBondContact O-N 3.24Å; W89-N91 PolarHBondContact O-N 2.71Å; W89-F92 HydrophobicContact CE3-CD2 4.32Å; W89-F92 WeakPolarHBondContact O-CD2 3.47Å; W89-F92 PolarHBondContact O-N 3.49Å; W89-F92 VanDerWaalsContact O-N 3.1Å; W89-L97 HydrophobicContact CH2-CD2 4.18Å; W89-L97 HydrophobicContact CZ2-CD1 4.45Å; W89-L97 HydrophobicContact CZ2-CD2 3.84Å; W89-G100 WeakPolarHBondContact CZ2-O 3.18Å; W89-L102 HydrophobicContact CH2-CB 4.08Å; W89-L102 HydrophobicContact CZ3-CB 4.11Å; W89-R149 HydrophobicContact CD2-CB 4.36Å; W89-R149 HydrophobicContact CD2-CG 4.14Å; W89-R149 HydrophobicContact CE3-CG 4.48Å; W89-R149 HydrophobicContact CG-CG 4.32Å; W89-R149 HydrophobicContact CH2-CB 4.41Å; W89-R149 HydrophobicContact CZ2-CB 4.21Å; W89-Y152 AromaticContact CE3-CD1 3.5Å; W89-Y152 HydrophobicContact CE3-CD1 3.5Å; W89-Y152 HydrophobicContact CE3-CD2 4.37Å; W89-Y152 HydrophobicContact CE3-CE1 4.15Å; W89-Y152 AromaticContact CE3-CG 3.61Å; W89-Y152 HydrophobicContact CE3-CG 3.61Å; W89-Y152 VanDerWaalsContact CZ3-CB 3.47Å; W89-Y152 HydrophobicContact CZ3-CD1 4.07Å; W89-Y152 HydrophobicContact CZ3-CD2 4.26Å; W89-Y152 AromaticContact CZ3-CG 3.67Å; W89-Y152 HydrophobicContact CZ3-CG 3.67Å
90	S	92.2	Very high	90.1	Very high	86 Å²	86	70.6 Å²	70.6	60%	0.601	39%	0.387	S	S	*	.	H	α-helix	trans	-66.7	-15.1	178.7	75.1	0	0	0	0	114.5	T86 R87 S88 F92	T86-S90 WeakPolarHBondContact O-CB 3.5Å; T86-S90 PolarHBondContact O-N 3.02Å; R87-S90 PolarHBondContact O-N 2.67Å; R87-S90 PolarHBondContact O-OG 3.45Å; S88-S90 VanDerWaalsContact C-N 3.3Å; S88-S90 PolarHBondContact O-N 2.77Å; S90-F92 PolarHBondContact O-N 3.23Å
91	N	90.1	Very high	90.8	Very high	114 Å²	114	68.2 Å²	68.2	61%	0.61	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-18.8	173.5	-65.4	-38.1	0	0	0	112.4	S88 W89	S88-N91 WeakPolarHBondContact O-CB 3.29Å; S88-N91 PolarHBondContact O-N 3.27Å; S88-N91 VanDerWaalsContact O-N 3.16Å; W89-N91 PolarHBondContact O-N 2.71Å
92	F	92.3	Very high	91.3	Very high	17 Å²	17	66.2 Å²	66.2	8%	0.075	37%	0.368	C	S	.	.	S	Bend	trans	-84.3	117.5	176.2	-55.4	-63.7	0	0	0	110.3	W89 S90 L97 L102 Y107 Y152	W89-F92 HydrophobicContact CE3-CD2 4.32Å; W89-F92 WeakPolarHBondContact O-CD2 3.47Å; W89-F92 PolarHBondContact O-N 3.49Å; W89-F92 VanDerWaalsContact O-N 3.1Å; S90-F92 PolarHBondContact O-N 3.23Å; F92-L97 HydrophobicContact CB-CD2 4.23Å; F92-L97 HydrophobicContact CB-CG 4.48Å; F92-L102 HydrophobicContact CB-CD1 4.34Å; F92-L102 HydrophobicContact CD1-CD1 3.69Å; F92-L102 HydrophobicContact CD1-CD2 4.21Å; F92-L102 HydrophobicContact CD2-CD1 4.27Å; F92-L102 HydrophobicContact CD2-CD2 3.98Å; F92-L102 HydrophobicContact CE1-CD1 4.04Å; F92-L102 HydrophobicContact CE1-CD2 3.82Å; F92-L102 HydrophobicContact CE2-CD2 3.58Å; F92-L102 HydrophobicContact CG-CD1 3.83Å; F92-L102 HydrophobicContact CG-CD2 4.3Å; F92-L102 HydrophobicContact CZ-CD1 4.49Å; F92-L102 HydrophobicContact CZ-CD2 3.5Å; F92-Y107 HydrophobicContact CE1-CD2 4.37Å; F92-Y107 AromaticContact CZ-CD2 3.96Å; F92-Y107 HydrophobicContact CZ-CD2 3.96Å; F92-Y152 HydrophobicContact CE2-CE1 4.16Å; F92-Y152 AromaticContact CE2-CE2 3.87Å; F92-Y152 HydrophobicContact CE2-CE2 3.87Å; F92-Y152 AromaticContact CE2-CZ 3.59Å; F92-Y152 WeakPolarHBondContact CE2-OH 3.41Å; F92-Y152 HydrophobicContact CZ-CE2 4.05Å; F92-Y152 AromaticContact CZ-CZ 3.97Å
93	D	87.8	Confident	91.5	Very high	80 Å²	80	64.1 Å²	64.1	43%	0.428	36%	0.359	S	S	.	.			trans	-70.5	165.7	175.7	79.1	-5.5	0	0	0	111.8	K95 S96 L97	D93-K95 PolarHBondContact O-N 3.48Å; D93-K95 WeakPolarHBondContact OD1-CB 3.23Å; D93-K95 PolarHBondContact OD1-N 3.32Å; D93-K95 VanDerWaalsContact OD1-N 3.1Å; D93-S96 WeakPolarHBondContact O-CB 3.45Å; D93-S96 PolarHBondContact O-N 3.06Å; D93-S96 WeakPolarHBondContact OD1-CB 3.5Å; D93-S96 PolarHBondContact OD1-N 3.43Å; D93-S96 PolarHBondContact OD1-OG 3.13Å; D93-L97 PolarHBondContact O-N 2.94Å
94	A	88.5	Confident	91.9	Very high	89 Å²	89	63.1 Å²	63.1	74%	0.736	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-16.4	179.4	0	0	0	0	0	114
95	K	88.9	Confident	92.2	Very high	185 Å²	185	66.7 Å²	66.7	80%	0.804	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-26.6	176.9	-62.2	174.6	-177.9	169.2	0	112.2	D93	D93-K95 PolarHBondContact O-N 3.48Å; D93-K95 WeakPolarHBondContact OD1-CB 3.23Å; D93-K95 PolarHBondContact OD1-N 3.32Å; D93-K95 VanDerWaalsContact OD1-N 3.1Å
96	S	90.3	Very high	92.3	Very high	26 Å²	26	67.2 Å²	67.2	18%	0.182	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-22.8	175.9	-56.6	0	0	0	0	111.7	D93 S106	D93-S96 WeakPolarHBondContact O-CB 3.45Å; D93-S96 PolarHBondContact O-N 3.06Å; D93-S96 WeakPolarHBondContact OD1-CB 3.5Å; D93-S96 PolarHBondContact OD1-N 3.43Å; D93-S96 PolarHBondContact OD1-OG 3.13Å; S96-S106 VanDerWaalsContact O-CB 3.31Å; S96-S106 WeakPolarHBondContact O-CB 3.37Å; S96-S106 PolarHBondContact O-OG 2.86Å
97	L	93.9	Very high	92.3	Very high	38 Å²	38	64.1 Å²	64.1	20%	0.199	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	131.8	-179.2	-57.3	178.1	0	0	0	112	W89 F92 D93 K101 L102	W89-L97 HydrophobicContact CH2-CD2 4.18Å; W89-L97 HydrophobicContact CZ2-CD1 4.45Å; W89-L97 HydrophobicContact CZ2-CD2 3.84Å; F92-L97 HydrophobicContact CB-CD2 4.23Å; F92-L97 HydrophobicContact CB-CG 4.48Å; D93-L97 PolarHBondContact O-N 2.94Å; L97-K101 CarbonylContact C-O 3.52Å; L97-K101 VanDerWaalsContact CA-O 3.31Å; L97-K101 WeakPolarHBondContact CA-O 3.3Å; L97-L102 HydrophobicContact CD2-CB 4.07Å; L97-L102 HydrophobicContact CD2-CD1 4.1Å
98	T	92.5	Very high	92.3	Very high	69 Å²	69	59.9 Å²	59.9	42%	0.423	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	116.1	170.3	-60.3	0	0	0	0	108.5	G100 K101 F146	T98-G100 PolarHBondContact O-N 3.04Å; T98-K101 PolarHBondContact N-O 3.3Å; T98-K101 PolarHBondContact O-N 2.81Å; T98-F146 HydrophobicContact CG2-CE1 4.42Å
99	N	91.9	Very high	92.2	Very high	165 Å²	165	63.2 Å²	63.2	88%	0.882	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	34	-175.2	-58.4	-36.9	0	0	0	114	K101	N99-K101 VanDerWaalsContact C-N 3.29Å; N99-K101 PolarHBondContact O-N 3.17Å
100	G	93.6	Very high	91.9	Very high	49 Å²	49	64.7 Å²	64.7	51%	0.505	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	7.7	-178.6	0	0	0	0	0	115	W89 T98	W89-G100 WeakPolarHBondContact CZ2-O 3.18Å; T98-G100 PolarHBondContact O-N 3.04Å
101	K	96.9	Very high	91.6	Very high	37 Å²	37	64.1 Å²	64.1	16%	0.161	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	151.6	173.2	-57.5	-169.7	168.8	-161.8	0	111.6	L97 T98 N99 D142 D144 F146 L147 N148	L97-K101 CarbonylContact C-O 3.52Å; L97-K101 VanDerWaalsContact CA-O 3.31Å; L97-K101 WeakPolarHBondContact CA-O 3.3Å; T98-K101 PolarHBondContact N-O 3.3Å; T98-K101 PolarHBondContact O-N 2.81Å; N99-K101 VanDerWaalsContact C-N 3.29Å; N99-K101 PolarHBondContact O-N 3.17Å; K101-D142 IonicContact NZ-OD1 2.74Å; K101-D142 IonicContact NZ-OD2 2.77Å; K101-D142 PolarHBondContact NZ-OD2 3.07Å; K101-D144 VanDerWaalsContact NZ-CG 3.29Å; K101-D144 IonicContact NZ-OD1 3.59Å; K101-D144 IonicContact NZ-OD2 2.69Å; K101-D144 PolarHBondContact NZ-OD2 3.42Å; K101-F146 HydrophobicContact CB-CB 3.62Å; K101-F146 HydrophobicContact CB-CG 4.4Å; K101-F146 HydrophobicContact CD-CB 3.85Å; K101-F146 HydrophobicContact CG-CB 4.43Å; K101-L147 CarbonylContact C-O 3.27Å; K101-L147 WeakPolarHBondContact CA-O 3.37Å; K101-N148 HydrophobicContact CD-CB 4.42Å; K101-N148 HydrophobicContact CG-CB 4.1Å
102	L	96.8	Very high	91.3	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	133.1	179.4	-174.3	67.4	0	0	0	110	W89 F92 L97 Y107 W136 F146 L147 Y152	W89-L102 HydrophobicContact CH2-CB 4.08Å; W89-L102 HydrophobicContact CZ3-CB 4.11Å; F92-L102 HydrophobicContact CB-CD1 4.34Å; F92-L102 HydrophobicContact CD1-CD1 3.69Å; F92-L102 HydrophobicContact CD1-CD2 4.21Å; F92-L102 HydrophobicContact CD2-CD1 4.27Å; F92-L102 HydrophobicContact CD2-CD2 3.98Å; F92-L102 HydrophobicContact CE1-CD1 4.04Å; F92-L102 HydrophobicContact CE1-CD2 3.82Å; F92-L102 HydrophobicContact CE2-CD2 3.58Å; F92-L102 HydrophobicContact CG-CD1 3.83Å; F92-L102 HydrophobicContact CG-CD2 4.3Å; F92-L102 HydrophobicContact CZ-CD1 4.49Å; F92-L102 HydrophobicContact CZ-CD2 3.5Å; L97-L102 HydrophobicContact CD2-CB 4.07Å; L97-L102 HydrophobicContact CD2-CD1 4.1Å; L102-Y107 HydrophobicContact CD2-CD2 4.05Å; L102-Y107 HydrophobicContact CD2-CG 4.42Å; L102-W136 HydrophobicContact CB-CH2 4.21Å; L102-W136 HydrophobicContact CD2-CH2 4.06Å; L102-W136 HydrophobicContact CD2-CZ3 4.21Å; L102-W136 HydrophobicContact CG-CH2 3.94Å; L102-W136 WeakPolarHBondContact O-CH2 3.47Å; L102-W136 WeakPolarHBondContact O-CZ2 3.26Å; L102-F146 CarbonylContact O-C 3.54Å; L102-F146 WeakPolarHBondContact O-CA 3.25Å; L102-F146 WeakPolarHBondContact O-CB 3.35Å; L102-L147 PolarHBondContact N-O 2.87Å; L102-L147 PolarHBondContact O-N 3.34Å; L102-Y152 HydrophobicContact CD2-CD2 4.08Å; L102-Y152 HydrophobicContact CD2-CE2 4.05Å
103	S	95.7	Very high	90.8	Very high	22 Å²	22	61.1 Å²	61.1	15%	0.154	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	156.5	172.7	72.7	0	0	0	0	111.4	D105 S106 Y107 W136	S103-D105 VanDerWaalsContact C-N 3.26Å; S103-D105 PolarHBondContact O-N 3.06Å; S103-S106 PolarHBondContact O-N 3Å; S103-S106 WeakPolarHBondContact OG-CB 3.37Å; S103-S106 PolarHBondContact OG-N 3.23Å; S103-S106 VanDerWaalsContact OG-N 3.16Å; S103-S106 PolarHBondContact OG-OG 3.01Å; S103-S106 VanDerWaalsContact OG-OG 3.08Å; S103-Y107 PolarHBondContact O-N 3.46Å; S103-W136 VanDerWaalsContact C-CH2 3.43Å; S103-W136 WeakPolarHBondContact O-CH2 3.39Å
104	W	95.1	Very high	90.1	Very high	36 Å²	36	64.6 Å²	64.6	14%	0.136	36%	0.36	C	S	.	.	H	α-helix	trans	-55.3	-42	175.1	172.9	-119.7	0	0	0	112.4	Y107 K108 V129 D132 E133 W136	W104-Y107 AromaticContact CE3-CD1 3.95Å; W104-Y107 HydrophobicContact CE3-CD1 3.95Å; W104-Y107 HydrophobicContact CH2-CD1 4.45Å; W104-Y107 AromaticContact CZ3-CD1 3.64Å; W104-Y107 HydrophobicContact CZ3-CD1 3.64Å; W104-Y107 AromaticContact CZ3-CE1 3.93Å; W104-Y107 HydrophobicContact CZ3-CE1 3.93Å; W104-Y107 PolarHBondContact O-N 3.18Å; W104-K108 HydrophobicContact CZ2-CD 4.46Å; W104-K108 VanDerWaalsContact O-CB 3.23Å; W104-K108 WeakPolarHBondContact O-CB 3.46Å; W104-K108 PolarHBondContact O-N 3.32Å; W104-V129 HydrophobicContact CZ2-CG1 3.84Å; W104-D132 HydrophobicContact CH2-CB 3.69Å; W104-D132 HydrophobicContact CZ3-CB 4Å; W104-E133 HydrophobicContact CD2-CG 4.41Å; W104-E133 VanDerWaalsContact CH2-CA 3.44Å; W104-E133 HydrophobicContact CH2-CB 3.72Å; W104-E133 HydrophobicContact CH2-CG 4.4Å; W104-E133 HydrophobicContact CZ2-CB 3.44Å; W104-E133 VanDerWaalsContact CZ2-CB 3.44Å; W104-E133 HydrophobicContact CZ2-CG 3.81Å; W104-E133 HydrophobicContact CZ3-CB 4.44Å; W104-W136 HydrophobicContact CB-CD2 4.36Å; W104-W136 HydrophobicContact CB-CZ2 4.2Å; W104-W136 HydrophobicContact CE3-CB 3.98Å; W104-W136 AromaticContact CE3-CD2 3.65Å; W104-W136 HydrophobicContact CE3-CD2 3.65Å; W104-W136 AromaticContact CE3-CE3 3.58Å; W104-W136 HydrophobicContact CE3-CE3 3.58Å; W104-W136 AromaticContact CE3-CG 3.85Å; W104-W136 HydrophobicContact CE3-CG 3.85Å; W104-W136 HydrophobicContact CE3-CZ3 4.29Å; W104-W136 HydrophobicContact CZ3-CB 4.11Å; W104-W136 HydrophobicContact CZ3-CD2 4.39Å; W104-W136 HydrophobicContact CZ3-CE3 4.09Å; W104-W136 HydrophobicContact CZ3-CG 4.44Å
105	D	92.4	Very high	89.2	Confident	101 Å²	101	63.4 Å²	63.4	54%	0.54	35%	0.345	S	S	.	.	H	α-helix	trans	-66.6	-39.5	179.6	-76.9	-32.5	0	0	0	112.4	S103 K108 E109	S103-D105 VanDerWaalsContact C-N 3.26Å; S103-D105 PolarHBondContact O-N 3.06Å; D105-K108 IonicContact OD1-NZ 3.44Å; D105-K108 PolarHBondContact OD1-NZ 2.88Å; D105-E109 VanDerWaalsContact O-CB 3.31Å; D105-E109 WeakPolarHBondContact O-CB 3.35Å; D105-E109 PolarHBondContact O-N 2.89Å
106	S	92.7	Very high	88.2	Confident	24 Å²	24	59 Å²	59	17%	0.168	34%	0.338	C	S	.	.	H	α-helix	trans	-64.8	-44	174.8	-68	0	0	0	0	111.7	S96 S103 S110	S96-S106 VanDerWaalsContact O-CB 3.31Å; S96-S106 WeakPolarHBondContact O-CB 3.37Å; S96-S106 PolarHBondContact O-OG 2.86Å; S103-S106 PolarHBondContact O-N 3Å; S103-S106 WeakPolarHBondContact OG-CB 3.37Å; S103-S106 PolarHBondContact OG-N 3.23Å; S103-S106 VanDerWaalsContact OG-N 3.16Å; S103-S106 PolarHBondContact OG-OG 3.01Å; S103-S106 VanDerWaalsContact OG-OG 3.08Å; S106-S110 WeakPolarHBondContact O-CB 3.38Å; S106-S110 PolarHBondContact O-N 2.87Å
107	Y	93.2	Very high	87.3	Confident	5 Å²	5	60 Å²	60	2%	0.02	35%	0.345	C	S	.	.	H	α-helix	trans	-60.1	-51.8	175.8	173.5	-100.7	0	0	0	111.3	F92 L102 S103 W104 E109 S110 L111 D132 W136 Y152 F155	F92-Y107 HydrophobicContact CE1-CD2 4.37Å; F92-Y107 AromaticContact CZ-CD2 3.96Å; F92-Y107 HydrophobicContact CZ-CD2 3.96Å; L102-Y107 HydrophobicContact CD2-CD2 4.05Å; L102-Y107 HydrophobicContact CD2-CG 4.42Å; S103-Y107 PolarHBondContact O-N 3.46Å; W104-Y107 AromaticContact CE3-CD1 3.95Å; W104-Y107 HydrophobicContact CE3-CD1 3.95Å; W104-Y107 HydrophobicContact CH2-CD1 4.45Å; W104-Y107 AromaticContact CZ3-CD1 3.64Å; W104-Y107 HydrophobicContact CZ3-CD1 3.64Å; W104-Y107 AromaticContact CZ3-CE1 3.93Å; W104-Y107 HydrophobicContact CZ3-CE1 3.93Å; W104-Y107 PolarHBondContact O-N 3.18Å; Y107-E109 PolarHBondContact O-N 3.17Å; Y107-S110 WeakPolarHBondContact O-CB 3.4Å; Y107-S110 PolarHBondContact O-N 3.37Å; Y107-S110 VanDerWaalsContact O-N 3.15Å; Y107-L111 HydrophobicContact CE1-CD2 3.94Å; Y107-L111 HydrophobicContact CE2-CD2 4.38Å; Y107-L111 PolarHBondContact O-N 3.35Å; Y107-L111 VanDerWaalsContact OH-CD2 3.23Å; Y107-L111 WeakPolarHBondContact OH-CD2 3.48Å; Y107-D132 HydrophobicContact CE1-CB 4.37Å; Y107-D132 PolarHBondContact OH-OD2 3.48Å; Y107-W136 VanDerWaalsContact CB-CZ3 3.5Å; Y107-W136 HydrophobicContact CD1-CE3 4.3Å; Y107-W136 HydrophobicContact CD1-CZ3 4.14Å; Y107-W136 HydrophobicContact CD2-CZ3 4.23Å; Y107-W136 HydrophobicContact CG-CE3 4.3Å; Y107-W136 AromaticContact CG-CZ3 3.69Å; Y107-W136 HydrophobicContact CG-CZ3 3.69Å; Y107-Y152 HydrophobicContact CD2-CE2 4.09Å; Y107-Y152 HydrophobicContact CE2-CE2 4.07Å; Y107-F155 HydrophobicContact CE1-CE1 4.11Å; Y107-F155 AromaticContact CE1-CZ 3.78Å; Y107-F155 HydrophobicContact CE1-CZ 3.78Å; Y107-F155 AromaticContact CE2-CE1 3.69Å; Y107-F155 HydrophobicContact CE2-CE1 3.69Å; Y107-F155 HydrophobicContact CE2-CZ 4.22Å; Y107-F155 AromaticContact CZ-CE1 3.43Å; Y107-F155 VanDerWaalsContact CZ-CE1 3.43Å; Y107-F155 AromaticContact CZ-CZ 3.53Å; Y107-F155 VanDerWaalsContact OH-CE1 3.25Å; Y107-F155 WeakPolarHBondContact OH-CE1 3.35Å; Y107-F155 WeakPolarHBondContact OH-CZ 3.4Å
108	K	90.6	Very high	86.2	Confident	57 Å²	57	65.8 Å²	65.8	25%	0.248	37%	0.371	C	S	.	.	H	α-helix	trans	-59.8	-45.1	-179.2	-178.2	-178.2	68.5	-146.4	0	111.5	W104 D105 S110 Y112 V129	W104-K108 HydrophobicContact CZ2-CD 4.46Å; W104-K108 VanDerWaalsContact O-CB 3.23Å; W104-K108 WeakPolarHBondContact O-CB 3.46Å; W104-K108 PolarHBondContact O-N 3.32Å; D105-K108 IonicContact OD1-NZ 3.44Å; D105-K108 PolarHBondContact OD1-NZ 2.88Å; K108-S110 VanDerWaalsContact C-N 3.34Å; K108-S110 PolarHBondContact O-N 2.97Å; K108-Y112 HydrophobicContact CG-CD2 4.11Å; K108-Y112 WeakPolarHBondContact O-CA 3.28Å; K108-Y112 VanDerWaalsContact O-CB 3.28Å; K108-Y112 WeakPolarHBondContact O-CB 3.42Å; K108-Y112 PolarHBondContact O-N 2.98Å; K108-V129 HydrophobicContact CD-CG1 4.21Å
109	E	87.9	Confident	85.1	Confident	91 Å²	91	70 Å²	70	43%	0.425	39%	0.391	S	S	.	.	H	α-helix	trans	-63.6	-38.8	176.4	176.9	167.9	-171.8	0	0	112.3	D105 Y107 G113 K114	D105-E109 VanDerWaalsContact O-CB 3.31Å; D105-E109 WeakPolarHBondContact O-CB 3.35Å; D105-E109 PolarHBondContact O-N 2.89Å; Y107-E109 PolarHBondContact O-N 3.17Å; E109-G113 WeakPolarHBondContact O-CA 3.33Å; E109-G113 PolarHBondContact O-N 3.17Å; E109-K114 HydrophobicContact CG-CG 4.12Å; E109-K114 WeakPolarHBondContact OE1-CD 3.38Å; E109-K114 WeakPolarHBondContact OE1-CE 3.3Å; E109-K114 IonicContact OE1-NZ 2.73Å; E109-K114 PolarHBondContact OE1-NZ 3.27Å; E109-K114 WeakPolarHBondContact OE2-CE 3.37Å; E109-K114 IonicContact OE2-NZ 2.67Å; E109-K114 PolarHBondContact OE2-NZ 2.94Å
110	S	87.1	Confident	83.9	Confident	67 Å²	67	68.3 Å²	68.3	47%	0.469	38%	0.378	S	S	.	.	H	α-helix	trans	-65.7	-44.4	178.7	-175.4	0	0	0	0	112.4	S106 Y107 K108	S106-S110 WeakPolarHBondContact O-CB 3.38Å; S106-S110 PolarHBondContact O-N 2.87Å; Y107-S110 WeakPolarHBondContact O-CB 3.4Å; Y107-S110 PolarHBondContact O-N 3.37Å; Y107-S110 VanDerWaalsContact O-N 3.15Å; K108-S110 VanDerWaalsContact C-N 3.34Å; K108-S110 PolarHBondContact O-N 2.97Å
111	L	85.8	Confident	83.1	Confident	74 Å²	74	67.7 Å²	67.7	39%	0.387	36%	0.362	S	S	.	.	H	α-helix	trans	-86.6	-45.4	-173.5	-179.8	65.4	0	0	0	113.3	M1 Y107	M1-L111 HydrophobicContact CE-CD1 3.46Å; M1-L111 VanDerWaalsContact CE-CD1 3.46Å; M1-L111 HydrophobicContact CE-CD2 3.29Å; M1-L111 HydrophobicContact CE-CG 4.02Å; Y107-L111 HydrophobicContact CE1-CD2 3.94Å; Y107-L111 HydrophobicContact CE2-CD2 4.38Å; Y107-L111 PolarHBondContact O-N 3.35Å; Y107-L111 VanDerWaalsContact OH-CD2 3.23Å; Y107-L111 WeakPolarHBondContact OH-CD2 3.48Å
112	Y	84.2	Confident	82.5	Confident	39 Å²	39	69.7 Å²	69.7	15%	0.153	38%	0.378	C	S	.	.	H	α-helix	trans	-101.9	-12.7	-172.3	-65	-74.1	0	0	0	113	K108 Y125 M128 V129 D132	K108-Y112 HydrophobicContact CG-CD2 4.11Å; K108-Y112 WeakPolarHBondContact O-CA 3.28Å; K108-Y112 VanDerWaalsContact O-CB 3.28Å; K108-Y112 WeakPolarHBondContact O-CB 3.42Å; K108-Y112 PolarHBondContact O-N 2.98Å; Y112-Y125 WeakPolarHBondContact CB-OH 3.42Å; Y112-Y125 HydrophobicContact CD1-CD2 4.22Å; Y112-Y125 AromaticContact CD1-CE2 3.86Å; Y112-Y125 HydrophobicContact CD1-CE2 3.86Å; Y112-Y125 HydrophobicContact CG-CE2 4.11Å; Y112-M128 HydrophobicContact CE1-CB 4.04Å; Y112-M128 HydrophobicContact CE1-CE 3.99Å; Y112-V129 HydrophobicContact CD1-CG2 4.08Å; Y112-V129 HydrophobicContact CD2-CG2 3.92Å; Y112-V129 HydrophobicContact CE1-CG2 4.08Å; Y112-V129 HydrophobicContact CE2-CG2 3.92Å; Y112-V129 HydrophobicContact CG-CG2 4.02Å; Y112-D132 PolarHBondContact OH-OD2 3.28Å
113	G	81.7	Confident	81.9	Confident	30 Å²	30	73.7 Å²	73.7	31%	0.309	41%	0.411	S	S	.	.			trans	73.2	-177.3	-170.8	0	0	0	0	0	112.9	E109	E109-G113 WeakPolarHBondContact O-CA 3.33Å; E109-G113 PolarHBondContact O-N 3.17Å
114	K	73.4	Confident	81.3	Confident	152 Å²	152	79.8 Å²	79.8	66%	0.661	44%	0.437	S	S	*	.			trans	-94.8	117.2	169.3	-81.1	176.7	169.7	140.4	0	109.2	E109	E109-K114 HydrophobicContact CG-CG 4.12Å; E109-K114 WeakPolarHBondContact OE1-CD 3.38Å; E109-K114 WeakPolarHBondContact OE1-CE 3.3Å; E109-K114 IonicContact OE1-NZ 2.73Å; E109-K114 PolarHBondContact OE1-NZ 3.27Å; E109-K114 WeakPolarHBondContact OE2-CE 3.37Å; E109-K114 IonicContact OE2-NZ 2.67Å; E109-K114 PolarHBondContact OE2-NZ 2.94Å
115	P	68.7	Low	80.7	Confident	64 Å²	64	80.2 Å²	80.2	42%	0.416	44%	0.439	S	S	.	.			trans	-64.1	142	174.4	26.2	-32.6	0	0	0	110.5	S117 L121	P115-S117 VanDerWaalsContact C-N 3.3Å; P115-S117 PolarHBondContact O-N 2.64Å; P115-L121 HydrophobicContact CB-CD2 3.43Å; P115-L121 VanDerWaalsContact CB-CD2 3.43Å; P115-L121 HydrophobicContact CB-CG 4.18Å; P115-L121 HydrophobicContact CG-CD1 4.44Å; P115-L121 HydrophobicContact CG-CD2 3.91Å
116	S	68.7	Low	80.5	Confident	94 Å²	94	80.7 Å²	80.7	66%	0.657	43%	0.433	S	S	*	.	S	Bend	trans	-72.6	-27	-177.2	87.5	0	0	0	0	112.4	E120	S116-E120 PolarHBondContact OG-OE1 3.44Å; S116-E120 PolarHBondContact OG-OE2 3.48Å
117	S	71.5	Confident	80.2	Confident	47 Å²	47	82.9 Å²	82.9	33%	0.329	44%	0.443	S	S	.	.			trans	-157.8	157.7	172.4	64	0	0	0	0	110.6	P115 D119 E120	P115-S117 VanDerWaalsContact C-N 3.3Å; P115-S117 PolarHBondContact O-N 2.64Å; S117-D119 PolarHBondContact O-N 3.37Å; S117-E120 PolarHBondContact O-N 3.33Å
118	E	69.7	Low	80	Confident	158 Å²	158	86.6 Å²	86.6	74%	0.738	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-64.9	-22.8	175.8	-71.9	-173.2	166	0	0	113.2	E120 R126	E118-E120 VanDerWaalsContact C-N 3.3Å; E118-E120 PolarHBondContact O-N 2.7Å; E118-R126 PolarHBondContact O-NH2 3.45Å
119	D	69.3	Low	80	Confident	158 Å²	158	84.7 Å²	84.7	85%	0.845	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-74.3	-18.8	-177.9	-66	-30.8	0	0	0	112.8	S117	S117-D119 PolarHBondContact O-N 3.37Å
120	E	67.3	Low	80.1	Confident	130 Å²	130	85.3 Å²	85.3	61%	0.607	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-88.3	-7.7	179.3	-75.3	-176	169.1	0	0	114.1	S116 S117 E118 T122	S116-E120 PolarHBondContact OG-OE1 3.44Å; S116-E120 PolarHBondContact OG-OE2 3.48Å; S117-E120 PolarHBondContact O-N 3.33Å; E118-E120 VanDerWaalsContact C-N 3.3Å; E118-E120 PolarHBondContact O-N 2.7Å; E120-T122 PolarHBondContact O-N 3.4Å
121	L	77.7	Confident	80.3	Confident	35 Å²	35	83 Å²	83	18%	0.183	44%	0.441	C	S	.	.			trans	-76.5	110.7	-176.4	-62.2	-178.3	0	0	0	111.4	P115 Y125 R126	P115-L121 HydrophobicContact CB-CD2 3.43Å; P115-L121 VanDerWaalsContact CB-CD2 3.43Å; P115-L121 HydrophobicContact CB-CG 4.18Å; P115-L121 HydrophobicContact CG-CD1 4.44Å; P115-L121 HydrophobicContact CG-CD2 3.91Å; L121-Y125 HydrophobicContact CB-CD1 4.14Å; L121-Y125 HydrophobicContact CD1-CD1 4.21Å; L121-Y125 HydrophobicContact CD1-CE1 3.97Å; L121-Y125 HydrophobicContact CD2-CD1 3.47Å; L121-Y125 VanDerWaalsContact CD2-CD1 3.47Å; L121-Y125 HydrophobicContact CD2-CD2 4.31Å; L121-Y125 HydrophobicContact CD2-CE1 3.34Å; L121-Y125 HydrophobicContact CD2-CE2 4.17Å; L121-Y125 HydrophobicContact CD2-CG 3.97Å; L121-Y125 HydrophobicContact CG-CD1 4.15Å; L121-Y125 HydrophobicContact CG-CE1 4.17Å; L121-R126 HydrophobicContact CB-CG 4.24Å; L121-R126 PolarHBondContact O-NE 3.16Å; L121-R126 PolarHBondContact O-NH2 2.99Å
122	T	83.5	Confident	80.7	Confident	79 Å²	79	79.6 Å²	79.6	49%	0.485	42%	0.424	S	S	.	.			trans	-60.8	156.3	174.1	66.5	0	0	0	0	111.3	E120 E124 Y125 R126	E120-T122 PolarHBondContact O-N 3.4Å; T122-E124 PolarHBondContact O-N 3.48Å; T122-Y125 PolarHBondContact O-N 3.01Å; T122-Y125 WeakPolarHBondContact OG1-CB 3.1Å; T122-Y125 PolarHBondContact OG1-N 2.82Å; T122-Y125 VanDerWaalsContact OG1-N 3.09Å; T122-R126 PolarHBondContact O-N 3.43Å; T122-R126 VanDerWaalsContact O-N 3.12Å
123	A	85.1	Confident	81.2	Confident	85 Å²	85	80.4 Å²	80.4	70%	0.702	43%	0.429	S	S	*	.	H	α-helix	trans	-58.9	-39.8	175	0	0	0	0	0	111.5	R126 D127	A123-R126 PolarHBondContact O-N 2.97Å; A123-D127 PolarHBondContact O-N 3.3Å
124	E	81.8	Confident	81.7	Confident	149 Å²	149	81.7 Å²	81.7	70%	0.696	43%	0.433	S	S	*	.	H	α-helix	trans	-59.4	-46.2	175.4	-67.6	166	-172.5	0	0	112.1	T122 R126 D127 M128	T122-E124 PolarHBondContact O-N 3.48Å; E124-R126 VanDerWaalsContact C-N 3.33Å; E124-R126 PolarHBondContact O-N 3.04Å; E124-D127 PolarHBondContact O-N 3.11Å; E124-M128 WeakPolarHBondContact O-CG 3.44Å; E124-M128 PolarHBondContact O-N 3.15Å
125	Y	83.7	Confident	82.8	Confident	45 Å²	45	74.6 Å²	74.6	18%	0.176	40%	0.402	C	S	.	.	H	α-helix	trans	-58.1	-46.8	175.6	177.4	-79.6	0	0	0	111.3	Y112 L121 T122 D127 M128 V129	Y112-Y125 WeakPolarHBondContact CB-OH 3.42Å; Y112-Y125 HydrophobicContact CD1-CD2 4.22Å; Y112-Y125 AromaticContact CD1-CE2 3.86Å; Y112-Y125 HydrophobicContact CD1-CE2 3.86Å; Y112-Y125 HydrophobicContact CG-CE2 4.11Å; L121-Y125 HydrophobicContact CB-CD1 4.14Å; L121-Y125 HydrophobicContact CD1-CD1 4.21Å; L121-Y125 HydrophobicContact CD1-CE1 3.97Å; L121-Y125 HydrophobicContact CD2-CD1 3.47Å; L121-Y125 VanDerWaalsContact CD2-CD1 3.47Å; L121-Y125 HydrophobicContact CD2-CD2 4.31Å; L121-Y125 HydrophobicContact CD2-CE1 3.34Å; L121-Y125 HydrophobicContact CD2-CE2 4.17Å; L121-Y125 HydrophobicContact CD2-CG 3.97Å; L121-Y125 HydrophobicContact CG-CD1 4.15Å; L121-Y125 HydrophobicContact CG-CE1 4.17Å; T122-Y125 PolarHBondContact O-N 3.01Å; T122-Y125 WeakPolarHBondContact OG1-CB 3.1Å; T122-Y125 PolarHBondContact OG1-N 2.82Å; T122-Y125 VanDerWaalsContact OG1-N 3.09Å; Y125-D127 VanDerWaalsContact C-N 3.32Å; Y125-D127 PolarHBondContact O-N 3.22Å; Y125-M128 PolarHBondContact O-N 2.67Å; Y125-V129 HydrophobicContact CD1-CG2 4Å; Y125-V129 HydrophobicContact CE1-CG2 3.58Å; Y125-V129 WeakPolarHBondContact O-CG2 3.39Å; Y125-V129 PolarHBondContact O-N 2.87Å
126	R	87.5	Confident	84.1	Confident	112 Å²	112	72 Å²	72	42%	0.423	38%	0.384	S	S	.	.	H	α-helix	trans	-63.1	-41.2	-179.6	-65.5	-178.6	-157.8	-98.1	2.6	111.1	E118 L121 T122 A123 E124 V129 L130	E118-R126 PolarHBondContact O-NH2 3.45Å; L121-R126 HydrophobicContact CB-CG 4.24Å; L121-R126 PolarHBondContact O-NE 3.16Å; L121-R126 PolarHBondContact O-NH2 2.99Å; T122-R126 PolarHBondContact O-N 3.43Å; T122-R126 VanDerWaalsContact O-N 3.12Å; A123-R126 PolarHBondContact O-N 2.97Å; E124-R126 VanDerWaalsContact C-N 3.33Å; E124-R126 PolarHBondContact O-N 3.04Å; R126-V129 PolarHBondContact O-N 3Å; R126-L130 WeakPolarHBondContact O-CB 3.47Å; R126-L130 WeakPolarHBondContact O-CD1 3.5Å; R126-L130 WeakPolarHBondContact O-CG 3.38Å; R126-L130 PolarHBondContact O-N 3.24Å
127	D	87.2	Confident	85.5	Confident	70 Å²	70	73.8 Å²	73.8	37%	0.374	38%	0.38	S	S	.	.	H	α-helix	trans	-63.9	-45.2	178.6	-164.2	71.3	0	0	0	112.1	A123 E124 Y125 L130 R131 K174	A123-D127 PolarHBondContact O-N 3.3Å; E124-D127 PolarHBondContact O-N 3.11Å; Y125-D127 VanDerWaalsContact C-N 3.32Å; Y125-D127 PolarHBondContact O-N 3.22Å; D127-L130 PolarHBondContact O-N 3.4Å; D127-R131 WeakPolarHBondContact O-CB 3.27Å; D127-R131 PolarHBondContact O-N 2.92Å; D127-K174 IonicContact OD1-NZ 2.72Å; D127-K174 PolarHBondContact OD1-NZ 3.01Å; D127-K174 IonicContact OD2-NZ 2.67Å; D127-K174 PolarHBondContact OD2-NZ 3.06Å
128	M	87.1	Confident	86.7	Confident	83 Å²	83	74.7 Å²	74.7	41%	0.409	38%	0.378	S	S	.	.	H	α-helix	trans	-59.4	-48.7	176.5	-70.9	178	68.2	0	0	112	Y112 E124 Y125 L130 R131 D132	Y112-M128 HydrophobicContact CE1-CB 4.04Å; Y112-M128 HydrophobicContact CE1-CE 3.99Å; E124-M128 WeakPolarHBondContact O-CG 3.44Å; E124-M128 PolarHBondContact O-N 3.15Å; Y125-M128 PolarHBondContact O-N 2.67Å; M128-L130 VanDerWaalsContact C-N 3.34Å; M128-L130 PolarHBondContact O-N 2.77Å; M128-R131 PolarHBondContact O-N 2.85Å; M128-D132 PolarHBondContact O-N 3.25Å
129	V	90.8	Very high	88	Confident	17 Å²	17	67.2 Å²	67.2	10%	0.103	34%	0.343	C	S	.	.	H	α-helix	trans	-62.6	-41.3	178.9	173.1	0	0	0	0	111.3	W104 K108 Y112 Y125 R126 E133	W104-V129 HydrophobicContact CZ2-CG1 3.84Å; K108-V129 HydrophobicContact CD-CG1 4.21Å; Y112-V129 HydrophobicContact CD1-CG2 4.08Å; Y112-V129 HydrophobicContact CD2-CG2 3.92Å; Y112-V129 HydrophobicContact CE1-CG2 4.08Å; Y112-V129 HydrophobicContact CE2-CG2 3.92Å; Y112-V129 HydrophobicContact CG-CG2 4.02Å; Y125-V129 HydrophobicContact CD1-CG2 4Å; Y125-V129 HydrophobicContact CE1-CG2 3.58Å; Y125-V129 WeakPolarHBondContact O-CG2 3.39Å; Y125-V129 PolarHBondContact O-N 2.87Å; R126-V129 PolarHBondContact O-N 3Å; V129-E133 WeakPolarHBondContact O-CB 3.34Å; V129-E133 PolarHBondContact O-N 2.92Å
130	L	91.2	Very high	89.4	Confident	104 Å²	104	60.6 Å²	60.6	55%	0.545	31%	0.308	S	S	.	.	H	α-helix	trans	-66.7	-38	178.4	-73.3	168.1	0	0	0	112.4	R126 D127 M128 E133 S134	R126-L130 WeakPolarHBondContact O-CB 3.47Å; R126-L130 WeakPolarHBondContact O-CD1 3.5Å; R126-L130 WeakPolarHBondContact O-CG 3.38Å; R126-L130 PolarHBondContact O-N 3.24Å; D127-L130 PolarHBondContact O-N 3.4Å; M128-L130 VanDerWaalsContact C-N 3.34Å; M128-L130 PolarHBondContact O-N 2.77Å; L130-E133 PolarHBondContact O-N 3.45Å; L130-S134 WeakPolarHBondContact O-CB 3.34Å; L130-S134 PolarHBondContact O-N 2.89Å
131	R	90.9	Very high	90.8	Very high	17 Å²	17	58.8 Å²	58.8	6%	0.064	31%	0.306	C	S	.	.	H	α-helix	trans	-63.2	-49.7	176.4	-164.6	173.1	-169.3	-89.4	15.5	110.3	S2 D127 M128 E133 S134 R135 E171 D175	S2-R131 VanDerWaalsContact CB-NH1 3.28Å; S2-R131 VanDerWaalsContact OG-CZ 3.31Å; S2-R131 PolarHBondContact OG-NH2 3.38Å; S2-R131 VanDerWaalsContact OG-NH2 3.11Å; D127-R131 WeakPolarHBondContact O-CB 3.27Å; D127-R131 PolarHBondContact O-N 2.92Å; M128-R131 PolarHBondContact O-N 2.85Å; R131-E133 VanDerWaalsContact C-N 3.35Å; R131-E133 PolarHBondContact O-N 3.04Å; R131-S134 WeakPolarHBondContact O-CB 3.47Å; R131-S134 PolarHBondContact O-N 3.29Å; R131-R135 PolarHBondContact O-N 3.43Å; R131-E171 HydrophobicContact CG-CG 4.22Å; R131-E171 VanDerWaalsContact CZ-CD 3.47Å; R131-E171 IonicContact CZ-OE2 2.86Å; R131-E171 IonicContact NH1-OE1 2.98Å; R131-E171 PolarHBondContact NH1-OE1 3.21Å; R131-E171 IonicContact NH1-OE2 3.15Å; R131-E171 PolarHBondContact NH1-OE2 3.27Å; R131-E171 IonicContact NH2-OE2 3.18Å; R131-E171 PolarHBondContact NH2-OE2 3.32Å; R131-D175 IonicContact CZ-OD2 2.81Å; R131-D175 IonicContact NH2-OD1 2.63Å; R131-D175 IonicContact NH2-OD2 3.5Å; R131-D175 PolarHBondContact NH2-OD2 3.34Å
132	D	93.5	Very high	91.7	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-38.1	176.4	-73.7	-1.8	0	0	0	111.9	W104 Y107 Y112 M128 S134 R135 W136 F155	W104-D132 HydrophobicContact CH2-CB 3.69Å; W104-D132 HydrophobicContact CZ3-CB 4Å; Y107-D132 HydrophobicContact CE1-CB 4.37Å; Y107-D132 PolarHBondContact OH-OD2 3.48Å; Y112-D132 PolarHBondContact OH-OD2 3.28Å; M128-D132 PolarHBondContact O-N 3.25Å; D132-S134 VanDerWaalsContact C-N 3.35Å; D132-S134 PolarHBondContact O-N 3.25Å; D132-R135 PolarHBondContact O-N 2.72Å; D132-W136 VanDerWaalsContact O-CB 3.31Å; D132-W136 WeakPolarHBondContact O-CB 3.17Å; D132-W136 PolarHBondContact O-N 2.73Å; D132-F155 HydrophobicContact CB-CE2 4.49Å; D132-F155 HydrophobicContact CB-CZ 4.26Å; D132-F155 WeakPolarHBondContact O-CE2 3.24Å
133	E	94.6	Very high	92.3	Very high	55 Å²	55	60.4 Å²	60.4	26%	0.257	33%	0.325	S	S	.	.	H	α-helix	trans	-65.5	-40	177.8	-165.1	-173.4	154.5	0	0	111.6	W104 V129 L130 R131 W136 K137	W104-E133 HydrophobicContact CD2-CG 4.41Å; W104-E133 VanDerWaalsContact CH2-CA 3.44Å; W104-E133 HydrophobicContact CH2-CB 3.72Å; W104-E133 HydrophobicContact CH2-CG 4.4Å; W104-E133 HydrophobicContact CZ2-CB 3.44Å; W104-E133 VanDerWaalsContact CZ2-CB 3.44Å; W104-E133 HydrophobicContact CZ2-CG 3.81Å; W104-E133 HydrophobicContact CZ3-CB 4.44Å; V129-E133 WeakPolarHBondContact O-CB 3.34Å; V129-E133 PolarHBondContact O-N 2.92Å; L130-E133 PolarHBondContact O-N 3.45Å; R131-E133 VanDerWaalsContact C-N 3.35Å; R131-E133 PolarHBondContact O-N 3.04Å; E133-W136 PolarHBondContact O-N 3.21Å; E133-K137 WeakPolarHBondContact O-CG 3.47Å; E133-K137 PolarHBondContact O-N 3.02Å; E133-K137 WeakPolarHBondContact OE1-CE 3.07Å; E133-K137 IonicContact OE1-NZ 3.51Å; E133-K137 PolarHBondContact OE1-NZ 3.05Å
134	S	93.9	Very high	92.9	Very high	58 Å²	58	59.8 Å²	59.8	41%	0.406	31%	0.311	S	S	.	.	H	α-helix	trans	-62.1	-46.5	175.1	-170.6	0	0	0	0	110.9	L130 R131 D132 K137 K138	L130-S134 WeakPolarHBondContact O-CB 3.34Å; L130-S134 PolarHBondContact O-N 2.89Å; R131-S134 WeakPolarHBondContact O-CB 3.47Å; R131-S134 PolarHBondContact O-N 3.29Å; D132-S134 VanDerWaalsContact C-N 3.35Å; D132-S134 PolarHBondContact O-N 3.25Å; S134-K137 PolarHBondContact O-N 3.14Å; S134-K138 PolarHBondContact O-N 3.37Å
135	R	95.2	Very high	93.5	Very high	3 Å²	3	54.4 Å²	54.4	1%	0.011	30%	0.295	C	S	.	.	H	α-helix	trans	-62.8	-43.1	176.3	-174.9	-176.5	-48.8	173.6	0.6	112.2	L5 R131 D132 K137 K138 A139 F155 M164 V167 E171	L5-R135 VanDerWaalsContact CD1-CZ 3.43Å; R131-R135 PolarHBondContact O-N 3.43Å; D132-R135 PolarHBondContact O-N 2.72Å; R135-K137 VanDerWaalsContact C-N 3.33Å; R135-K137 PolarHBondContact O-N 2.89Å; R135-K138 PolarHBondContact O-N 3.45Å; R135-K138 VanDerWaalsContact O-N 3.08Å; R135-A139 PolarHBondContact O-N 2.97Å; R135-F155 HydrophobicContact CB-CD2 4.14Å; R135-F155 HydrophobicContact CB-CE2 3.97Å; R135-F155 WeakPolarHBondContact CD-O 3.32Å; R135-F155 HydrophobicContact CG-CD2 3.65Å; R135-F155 HydrophobicContact CG-CE2 3.92Å; R135-F155 PolarHBondContact NH1-O 3.04Å; R135-M164 HydrophobicContact CG-CE 3.66Å; R135-V167 HydrophobicContact CB-CG1 4.22Å; R135-V167 HydrophobicContact CG-CG1 3.86Å; R135-E171 IonicContact CZ-OE1 2.69Å; R135-E171 VanDerWaalsContact CZ-OE1 3.25Å; R135-E171 IonicContact CZ-OE2 2.65Å; R135-E171 IonicContact NE-OE1 3.43Å; R135-E171 PolarHBondContact NE-OE1 2.79Å; R135-E171 IonicContact NE-OE2 2.97Å; R135-E171 IonicContact NH2-OE1 2.72Å; R135-E171 PolarHBondContact NH2-OE1 2.91Å; R135-E171 IonicContact NH2-OE2 3.25Å; R135-E171 PolarHBondContact NH2-OE2 2.96Å
136	W	97	Very high	94.2	Very high	8 Å²	8	55.2 Å²	55.2	3%	0.03	30%	0.299	C	S	.	.	H	α-helix	trans	-54.8	-49	178.3	-177.7	-74.2	0	0	0	111.4	L102 S103 W104 Y107 D132 E133 K138 A139 D140 L147 F155	L102-W136 HydrophobicContact CB-CH2 4.21Å; L102-W136 HydrophobicContact CD2-CH2 4.06Å; L102-W136 HydrophobicContact CD2-CZ3 4.21Å; L102-W136 HydrophobicContact CG-CH2 3.94Å; L102-W136 WeakPolarHBondContact O-CH2 3.47Å; L102-W136 WeakPolarHBondContact O-CZ2 3.26Å; S103-W136 VanDerWaalsContact C-CH2 3.43Å; S103-W136 WeakPolarHBondContact O-CH2 3.39Å; W104-W136 HydrophobicContact CB-CD2 4.36Å; W104-W136 HydrophobicContact CB-CZ2 4.2Å; W104-W136 HydrophobicContact CE3-CB 3.98Å; W104-W136 AromaticContact CE3-CD2 3.65Å; W104-W136 HydrophobicContact CE3-CD2 3.65Å; W104-W136 AromaticContact CE3-CE3 3.58Å; W104-W136 HydrophobicContact CE3-CE3 3.58Å; W104-W136 AromaticContact CE3-CG 3.85Å; W104-W136 HydrophobicContact CE3-CG 3.85Å; W104-W136 HydrophobicContact CE3-CZ3 4.29Å; W104-W136 HydrophobicContact CZ3-CB 4.11Å; W104-W136 HydrophobicContact CZ3-CD2 4.39Å; W104-W136 HydrophobicContact CZ3-CE3 4.09Å; W104-W136 HydrophobicContact CZ3-CG 4.44Å; Y107-W136 VanDerWaalsContact CB-CZ3 3.5Å; Y107-W136 HydrophobicContact CD1-CE3 4.3Å; Y107-W136 HydrophobicContact CD1-CZ3 4.14Å; Y107-W136 HydrophobicContact CD2-CZ3 4.23Å; Y107-W136 HydrophobicContact CG-CE3 4.3Å; Y107-W136 AromaticContact CG-CZ3 3.69Å; Y107-W136 HydrophobicContact CG-CZ3 3.69Å; D132-W136 VanDerWaalsContact O-CB 3.31Å; D132-W136 WeakPolarHBondContact O-CB 3.17Å; D132-W136 PolarHBondContact O-N 2.73Å; E133-W136 PolarHBondContact O-N 3.21Å; W136-K138 PolarHBondContact O-N 2.91Å; W136-A139 PolarHBondContact O-N 2.79Å; W136-D140 WeakPolarHBondContact O-CB 3.47Å; W136-D140 PolarHBondContact O-N 2.74Å; W136-L147 HydrophobicContact CD2-CD1 3.77Å; W136-L147 HydrophobicContact CD2-CD2 4.43Å; W136-L147 HydrophobicContact CD2-CG 3.88Å; W136-L147 HydrophobicContact CE3-CD1 3.56Å; W136-L147 HydrophobicContact CE3-CG 4.06Å; W136-L147 HydrophobicContact CG-CD1 4.46Å; W136-L147 HydrophobicContact CH2-CB 4.26Å; W136-L147 HydrophobicContact CH2-CD1 4.02Å; W136-L147 HydrophobicContact CH2-CG 3.83Å; W136-L147 HydrophobicContact CZ2-CB 4.27Å; W136-L147 HydrophobicContact CZ2-CD1 4.21Å; W136-L147 HydrophobicContact CZ2-CG 3.63Å; W136-L147 HydrophobicContact CZ3-CD1 3.7Å; W136-L147 HydrophobicContact CZ3-CG 4.04Å; W136-F155 HydrophobicContact CB-CD2 4.38Å; W136-F155 HydrophobicContact CB-CE2 4.24Å; W136-F155 HydrophobicContact CE3-CE2 4.4Å
137	K	96.6	Very high	94.7	Very high	132 Å²	132	49.9 Å²	49.9	57%	0.574	28%	0.279	S	S	*	.	H	α-helix	trans	-61.8	-27	179.9	-71.8	169.4	-175	161.3	0	113.4	E133 S134 R135	E133-K137 WeakPolarHBondContact O-CG 3.47Å; E133-K137 PolarHBondContact O-N 3.02Å; E133-K137 WeakPolarHBondContact OE1-CE 3.07Å; E133-K137 IonicContact OE1-NZ 3.51Å; E133-K137 PolarHBondContact OE1-NZ 3.05Å; S134-K137 PolarHBondContact O-N 3.14Å; R135-K137 VanDerWaalsContact C-N 3.33Å; R135-K137 PolarHBondContact O-N 2.89Å
138	K	96.8	Very high	95.2	Very high	67 Å²	67	48.7 Å²	48.7	29%	0.291	27%	0.273	S	S	.	.	H	α-helix	trans	-85.3	-32.6	177.3	-72.8	179.7	164	-168.2	0	112.6	S134 R135 W136 M164 V167 E170	S134-K138 PolarHBondContact O-N 3.37Å; R135-K138 PolarHBondContact O-N 3.45Å; R135-K138 VanDerWaalsContact O-N 3.08Å; W136-K138 PolarHBondContact O-N 2.91Å; K138-M164 VanDerWaalsContact C-SD 3.53Å; K138-M164 HydrophobicContact CB-CE 4.45Å; K138-M164 HydrophobicContact CB-SD 3.96Å; K138-V167 HydrophobicContact CB-CG2 3.85Å; K138-V167 HydrophobicContact CD-CG2 3.33Å; K138-V167 HydrophobicContact CG-CG2 4.24Å; K138-E170 IonicContact NZ-OE1 2.68Å; K138-E170 PolarHBondContact NZ-OE1 2.89Å; K138-E170 IonicContact NZ-OE2 3.47Å; K138-E170 PolarHBondContact NZ-OE2 3.39Å
139	A	97.7	Very high	95.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-73.8	-28.4	174.8	0	0	0	0	0	112.9	R135 W136 T141 L147 E151 F155 M164	R135-A139 PolarHBondContact O-N 2.97Å; W136-A139 PolarHBondContact O-N 2.79Å; A139-T141 VanDerWaalsContact C-N 3.34Å; A139-T141 PolarHBondContact O-N 2.89Å; A139-L147 HydrophobicContact CB-CD1 4.28Å; A139-L147 HydrophobicContact CB-CD2 4.12Å; A139-E151 WeakPolarHBondContact O-CB 3.09Å; A139-E151 WeakPolarHBondContact O-CG 3.42Å; A139-F155 HydrophobicContact CB-CB 3.72Å; A139-F155 HydrophobicContact CB-CD2 4.5Å; A139-M164 HydrophobicContact CB-CE 3.76Å; A139-M164 HydrophobicContact CB-SD 4.02Å; A139-M164 PolarHBondContact N-SD 2.75Å
140	D	97.9	Very high	95.8	Very high	19 Å²	19	53.2 Å²	53.2	10%	0.102	29%	0.292	C	S	.	.			trans	-71.4	85.2	174.8	-177	4.6	0	0	0	110.5	W136 G143 D144 G145 L147	W136-D140 WeakPolarHBondContact O-CB 3.47Å; W136-D140 PolarHBondContact O-N 2.74Å; D140-G143 PolarHBondContact O-N 3.08Å; D140-G143 VanDerWaalsContact OD1-CA 3.31Å; D140-G143 WeakPolarHBondContact OD1-CA 3.13Å; D140-G143 PolarHBondContact OD1-N 3.49Å; D140-G143 WeakPolarHBondContact OD2-CA 3.21Å; D140-D144 PolarHBondContact OD1-N 3.38Å; D140-D144 PolarHBondContact OD2-N 2.98Å; D140-G145 VanDerWaalsContact OD2-CA 3.24Å; D140-G145 WeakPolarHBondContact OD2-CA 3.44Å; D140-G145 PolarHBondContact OD2-N 2.93Å; D140-L147 HydrophobicContact CB-CD2 3.68Å
141	T	97.1	Very high	96.1	Very high	93 Å²	93	48.6 Å²	48.6	57%	0.571	27%	0.268	S	S	*	.	S	Bend	trans	-74.2	-27.4	-173.2	58.4	0	0	0	0	113.1	A139 E151 H163	A139-T141 VanDerWaalsContact C-N 3.34Å; A139-T141 PolarHBondContact O-N 2.89Å; T141-E151 PolarHBondContact N-OE1 3.09Å; T141-E151 PolarHBondContact OG1-OE1 3.25Å; T141-H163 WeakPolarHBondContact CG2-NE2 3.45Å
142	D	96.7	Very high	96.4	Very high	88 Å²	88	48.1 Å²	48.1	47%	0.471	27%	0.266	S	S	.	.	S	Bend	trans	-91.6	-13	176.6	75.2	20.7	0	0	0	113.7	K101 D144 E151	K101-D142 IonicContact NZ-OD1 2.74Å; K101-D142 IonicContact NZ-OD2 2.77Å; K101-D142 PolarHBondContact NZ-OD2 3.07Å; D142-D144 VanDerWaalsContact C-N 3.29Å; D142-D144 PolarHBondContact O-N 3.14Å; D142-D144 VanDerWaalsContact OD1-CB 3.31Å; D142-D144 WeakPolarHBondContact OD1-CB 3.11Å; D142-D144 PolarHBondContact OD1-N 3.32Å; D142-D144 VanDerWaalsContact OD1-N 3.09Å; D142-E151 PolarHBondContact N-OE1 3.04Å
143	G	96.6	Very high	96.5	Very high	59 Å²	59	48 Å²	48	61%	0.608	27%	0.266	S	S	*	.			trans	71.9	21.6	172.5	0	0	0	0	0	113.3	D140 G145	D140-G143 PolarHBondContact O-N 3.08Å; D140-G143 VanDerWaalsContact OD1-CA 3.31Å; D140-G143 WeakPolarHBondContact OD1-CA 3.13Å; D140-G143 PolarHBondContact OD1-N 3.49Å; D140-G143 WeakPolarHBondContact OD2-CA 3.21Å; G143-G145 VanDerWaalsContact C-N 3.28Å
144	D	96.7	Very high	96.5	Very high	73 Å²	73	46.2 Å²	46.2	39%	0.39	26%	0.259	S	S	.	.	S	Bend	trans	-83.1	-4.4	-178.6	84.3	-2.3	0	0	0	113.8	K101 D140 D142 F146	K101-D144 VanDerWaalsContact NZ-CG 3.29Å; K101-D144 IonicContact NZ-OD1 3.59Å; K101-D144 IonicContact NZ-OD2 2.69Å; K101-D144 PolarHBondContact NZ-OD2 3.42Å; D140-D144 PolarHBondContact OD1-N 3.38Å; D140-D144 PolarHBondContact OD2-N 2.98Å; D142-D144 VanDerWaalsContact C-N 3.29Å; D142-D144 PolarHBondContact O-N 3.14Å; D142-D144 VanDerWaalsContact OD1-CB 3.31Å; D142-D144 WeakPolarHBondContact OD1-CB 3.11Å; D142-D144 PolarHBondContact OD1-N 3.32Å; D142-D144 VanDerWaalsContact OD1-N 3.09Å; D144-F146 VanDerWaalsContact O-CD2 3.26Å; D144-F146 WeakPolarHBondContact O-CD2 3.28Å; D144-F146 WeakPolarHBondContact OD1-CA 3.36Å; D144-F146 WeakPolarHBondContact OD1-CB 3.35Å; D144-F146 PolarHBondContact OD1-N 3.04Å
145	G	95.9	Very high	96.6	Very high	35 Å²	35	43.4 Å²	43.4	36%	0.361	24%	0.24	S	C	.	.	S	Bend	trans	86.7	3.9	-179.1	0	0	0	0	0	113.9	D140 G143	D140-G145 VanDerWaalsContact OD2-CA 3.24Å; D140-G145 WeakPolarHBondContact OD2-CA 3.44Å; D140-G145 PolarHBondContact OD2-N 2.93Å; G143-G145 VanDerWaalsContact C-N 3.28Å
146	F	97.6	Very high	96.6	Very high	62 Å²	62	44.5 Å²	44.5	27%	0.272	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.9	180	-55	-103.5	0	0	0	111.1	T98 K101 L102 D144	T98-F146 HydrophobicContact CG2-CE1 4.42Å; K101-F146 HydrophobicContact CB-CB 3.62Å; K101-F146 HydrophobicContact CB-CG 4.4Å; K101-F146 HydrophobicContact CD-CB 3.85Å; K101-F146 HydrophobicContact CG-CB 4.43Å; L102-F146 CarbonylContact O-C 3.54Å; L102-F146 WeakPolarHBondContact O-CA 3.25Å; L102-F146 WeakPolarHBondContact O-CB 3.35Å; D144-F146 VanDerWaalsContact O-CD2 3.26Å; D144-F146 WeakPolarHBondContact O-CD2 3.28Å; D144-F146 WeakPolarHBondContact OD1-CA 3.36Å; D144-F146 WeakPolarHBondContact OD1-CB 3.35Å; D144-F146 PolarHBondContact OD1-N 3.04Å
147	L	98	Very high	96.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	126.7	171.8	-55.7	-174.8	0	0	0	110	K101 L102 W136 A139 D140 E151 Y152 F155	K101-L147 CarbonylContact C-O 3.27Å; K101-L147 WeakPolarHBondContact CA-O 3.37Å; L102-L147 PolarHBondContact N-O 2.87Å; L102-L147 PolarHBondContact O-N 3.34Å; W136-L147 HydrophobicContact CD2-CD1 3.77Å; W136-L147 HydrophobicContact CD2-CD2 4.43Å; W136-L147 HydrophobicContact CD2-CG 3.88Å; W136-L147 HydrophobicContact CE3-CD1 3.56Å; W136-L147 HydrophobicContact CE3-CG 4.06Å; W136-L147 HydrophobicContact CG-CD1 4.46Å; W136-L147 HydrophobicContact CH2-CB 4.26Å; W136-L147 HydrophobicContact CH2-CD1 4.02Å; W136-L147 HydrophobicContact CH2-CG 3.83Å; W136-L147 HydrophobicContact CZ2-CB 4.27Å; W136-L147 HydrophobicContact CZ2-CD1 4.21Å; W136-L147 HydrophobicContact CZ2-CG 3.63Å; W136-L147 HydrophobicContact CZ3-CD1 3.7Å; W136-L147 HydrophobicContact CZ3-CG 4.04Å; A139-L147 HydrophobicContact CB-CD1 4.28Å; A139-L147 HydrophobicContact CB-CD2 4.12Å; D140-L147 HydrophobicContact CB-CD2 3.68Å; L147-E151 HydrophobicContact CB-CB 4.02Å; L147-E151 HydrophobicContact CD2-CB 3.92Å; L147-E151 HydrophobicContact CG-CB 4.44Å; L147-Y152 HydrophobicContact CD1-CD2 4.46Å; L147-F155 HydrophobicContact CD1-CB 3.71Å; L147-F155 HydrophobicContact CD1-CD2 4.31Å; L147-F155 HydrophobicContact CD1-CG 3.95Å
148	N	96.7	Very high	96.1	Very high	45 Å²	45	38.1 Å²	38.1	24%	0.241	22%	0.219	C	C	.	.			trans	-72.3	176.1	159.4	73.3	57	0	0	0	110.7	K101 D150 E151 Y152	K101-N148 HydrophobicContact CD-CB 4.42Å; K101-N148 HydrophobicContact CG-CB 4.1Å; N148-D150 VanDerWaalsContact C-N 3.29Å; N148-D150 PolarHBondContact O-N 3.38Å; N148-D150 WeakPolarHBondContact OD1-CA 3.48Å; N148-D150 WeakPolarHBondContact OD1-CB 3.25Å; N148-D150 PolarHBondContact OD1-N 3.44Å; N148-E151 PolarHBondContact N-OE2 3.39Å; N148-E151 WeakPolarHBondContact ND2-CG 3.38Å; N148-E151 PolarHBondContact ND2-OE2 3.4Å; N148-E151 PolarHBondContact O-N 2.88Å; N148-E151 PolarHBondContact OD1-N 3.49Å; N148-Y152 WeakPolarHBondContact O-CB 3.42Å; N148-Y152 PolarHBondContact O-N 3.32Å
149	R	95.6	Very high	95.6	Very high	78 Å²	78	37.4 Å²	37.4	29%	0.294	22%	0.216	S	C	.	.	H	α-helix	trans	-60.5	-36.6	-176.4	-172.3	-175.4	172.4	-74.1	-1.1	113	D82 I85 T86 W89 G153	D82-R149 PolarHBondContact O-NH2 3.06Å; I85-R149 HydrophobicContact CG2-CG 4.17Å; T86-R149 PolarHBondContact OG1-NH2 2.85Å; W89-R149 HydrophobicContact CD2-CB 4.36Å; W89-R149 HydrophobicContact CD2-CG 4.14Å; W89-R149 HydrophobicContact CE3-CG 4.48Å; W89-R149 HydrophobicContact CG-CG 4.32Å; W89-R149 HydrophobicContact CH2-CB 4.41Å; W89-R149 HydrophobicContact CZ2-CB 4.21Å; R149-G153 PolarHBondContact O-N 2.85Å
150	D	96	Very high	95.1	Very high	117 Å²	117	40.1 Å²	40.1	63%	0.626	24%	0.235	S	C	*	.	H	α-helix	trans	-74.5	-42.8	-178.2	-61.3	-19.4	0	0	0	110.5	N148 Y152 G153 C154	N148-D150 VanDerWaalsContact C-N 3.29Å; N148-D150 PolarHBondContact O-N 3.38Å; N148-D150 WeakPolarHBondContact OD1-CA 3.48Å; N148-D150 WeakPolarHBondContact OD1-CB 3.25Å; N148-D150 PolarHBondContact OD1-N 3.44Å; D150-Y152 VanDerWaalsContact C-N 3.33Å; D150-Y152 PolarHBondContact O-N 2.87Å; D150-G153 WeakPolarHBondContact O-CA 3.22Å; D150-G153 PolarHBondContact O-N 3.14Å; D150-C154 PolarHBondContact O-N 3.14Å; D150-C154 VanDerWaalsContact O-N 3.09Å
151	E	97.7	Very high	94.7	Very high	7 Å²	7	40.1 Å²	40.1	3%	0.033	24%	0.237	C	C	.	.	H	α-helix	trans	-62.8	-39.9	173.8	-68	172.2	139.9	0	0	111.8	A139 T141 D142 L147 N148 G153 C154 F155	A139-E151 WeakPolarHBondContact O-CB 3.09Å; A139-E151 WeakPolarHBondContact O-CG 3.42Å; T141-E151 PolarHBondContact N-OE1 3.09Å; T141-E151 PolarHBondContact OG1-OE1 3.25Å; D142-E151 PolarHBondContact N-OE1 3.04Å; L147-E151 HydrophobicContact CB-CB 4.02Å; L147-E151 HydrophobicContact CD2-CB 3.92Å; L147-E151 HydrophobicContact CG-CB 4.44Å; N148-E151 PolarHBondContact N-OE2 3.39Å; N148-E151 WeakPolarHBondContact ND2-CG 3.38Å; N148-E151 PolarHBondContact ND2-OE2 3.4Å; N148-E151 PolarHBondContact O-N 2.88Å; N148-E151 PolarHBondContact OD1-N 3.49Å; E151-G153 VanDerWaalsContact C-N 3.26Å; E151-G153 PolarHBondContact O-N 3.05Å; E151-C154 PolarHBondContact O-N 3.22Å; E151-F155 PolarHBondContact O-N 2.73Å
152	Y	96.8	Very high	94.5	Very high	7 Å²	7	41.9 Å²	41.9	3%	0.027	24%	0.238	C	C	.	.	H	α-helix	trans	-62.7	-34.9	172.1	-178	-100.7	0	0	0	112.2	S88 W89 F92 L102 Y107 L147 N148 D150 F155 L156	S88-Y152 PolarHBondContact OG-OH 3.39Å; W89-Y152 AromaticContact CE3-CD1 3.5Å; W89-Y152 HydrophobicContact CE3-CD1 3.5Å; W89-Y152 HydrophobicContact CE3-CD2 4.37Å; W89-Y152 HydrophobicContact CE3-CE1 4.15Å; W89-Y152 AromaticContact CE3-CG 3.61Å; W89-Y152 HydrophobicContact CE3-CG 3.61Å; W89-Y152 VanDerWaalsContact CZ3-CB 3.47Å; W89-Y152 HydrophobicContact CZ3-CD1 4.07Å; W89-Y152 HydrophobicContact CZ3-CD2 4.26Å; W89-Y152 AromaticContact CZ3-CG 3.67Å; W89-Y152 HydrophobicContact CZ3-CG 3.67Å; F92-Y152 HydrophobicContact CE2-CE1 4.16Å; F92-Y152 AromaticContact CE2-CE2 3.87Å; F92-Y152 HydrophobicContact CE2-CE2 3.87Å; F92-Y152 AromaticContact CE2-CZ 3.59Å; F92-Y152 WeakPolarHBondContact CE2-OH 3.41Å; F92-Y152 HydrophobicContact CZ-CE2 4.05Å; F92-Y152 AromaticContact CZ-CZ 3.97Å; L102-Y152 HydrophobicContact CD2-CD2 4.08Å; L102-Y152 HydrophobicContact CD2-CE2 4.05Å; Y107-Y152 HydrophobicContact CD2-CE2 4.09Å; Y107-Y152 HydrophobicContact CE2-CE2 4.07Å; L147-Y152 HydrophobicContact CD1-CD2 4.46Å; N148-Y152 WeakPolarHBondContact O-CB 3.42Å; N148-Y152 PolarHBondContact O-N 3.32Å; D150-Y152 VanDerWaalsContact C-N 3.33Å; D150-Y152 PolarHBondContact O-N 2.87Å; Y152-F155 HydrophobicContact CD2-CD1 4.12Å; Y152-F155 HydrophobicContact CE2-CD1 4.07Å; Y152-F155 HydrophobicContact CE2-CE1 4.44Å; Y152-F155 WeakPolarHBondContact O-CB 3.4Å; Y152-F155 PolarHBondContact O-N 2.76Å; Y152-L156 HydrophobicContact CE1-CD2 4.4Å; Y152-L156 WeakPolarHBondContact O-CB 3.49Å; Y152-L156 PolarHBondContact O-N 2.91Å
153	G	95.4	Very high	94.3	Very high	3 Å²	3	42.1 Å²	42.1	3%	0.031	24%	0.236	C	C	.	.	H	α-helix	trans	-59.3	-47.5	172.1	0	0	0	0	0	112.5	I85 R149 D150 E151 F155 L156 H157	I85-G153 VanDerWaalsContact CD1-CA 3.45Å; R149-G153 PolarHBondContact O-N 2.85Å; D150-G153 WeakPolarHBondContact O-CA 3.22Å; D150-G153 PolarHBondContact O-N 3.14Å; E151-G153 VanDerWaalsContact C-N 3.26Å; E151-G153 PolarHBondContact O-N 3.05Å; G153-F155 VanDerWaalsContact C-N 3.32Å; G153-F155 PolarHBondContact O-N 3.31Å; G153-L156 PolarHBondContact O-N 3.13Å; G153-H157 PolarHBondContact O-N 3.15Å
154	C	95.7	Very high	94.2	Very high	16 Å²	16	39.3 Å²	39.3	11%	0.108	21%	0.207	C	C	.	.	H	α-helix	trans	-67.7	-29.2	174.8	-66.2	0	0	0	0	113.4	D150 E151 H157 P158 C161 M164	D150-C154 PolarHBondContact O-N 3.14Å; D150-C154 VanDerWaalsContact O-N 3.09Å; E151-C154 PolarHBondContact O-N 3.22Å; C154-H157 CarbonylContact O-C 3.58Å; C154-P158 WeakPolarHBondContact O-CA 3.48Å; C154-P158 VanDerWaalsContact O-N 3.11Å; C154-C161 WeakPolarHBondContact CA-SG 3.48Å; C154-C161 HydrophobicContact CB-CB 3.66Å; C154-C161 WeakPolarHBondContact CB-SG 3.41Å; C154-C161 WeakPolarHBondContact SG-CB 3.46Å; C154-C161 CovalentContact SG-SG 2.04Å; C154-C161 PolarHBondContact SG-SG 3.25Å; C154-M164 HydrophobicContact CB-CG 3.95Å
155	F	95.8	Very high	93.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-68.3	-39.7	172.1	169.4	-93	0	0	0	112.3	Y107 D132 R135 W136 A139 L147 E151 Y152 G153	Y107-F155 HydrophobicContact CE1-CE1 4.11Å; Y107-F155 AromaticContact CE1-CZ 3.78Å; Y107-F155 HydrophobicContact CE1-CZ 3.78Å; Y107-F155 AromaticContact CE2-CE1 3.69Å; Y107-F155 HydrophobicContact CE2-CE1 3.69Å; Y107-F155 HydrophobicContact CE2-CZ 4.22Å; Y107-F155 AromaticContact CZ-CE1 3.43Å; Y107-F155 VanDerWaalsContact CZ-CE1 3.43Å; Y107-F155 AromaticContact CZ-CZ 3.53Å; Y107-F155 VanDerWaalsContact OH-CE1 3.25Å; Y107-F155 WeakPolarHBondContact OH-CE1 3.35Å; Y107-F155 WeakPolarHBondContact OH-CZ 3.4Å; D132-F155 HydrophobicContact CB-CE2 4.49Å; D132-F155 HydrophobicContact CB-CZ 4.26Å; D132-F155 WeakPolarHBondContact O-CE2 3.24Å; R135-F155 HydrophobicContact CB-CD2 4.14Å; R135-F155 HydrophobicContact CB-CE2 3.97Å; R135-F155 WeakPolarHBondContact CD-O 3.32Å; R135-F155 HydrophobicContact CG-CD2 3.65Å; R135-F155 HydrophobicContact CG-CE2 3.92Å; R135-F155 PolarHBondContact NH1-O 3.04Å; W136-F155 HydrophobicContact CB-CD2 4.38Å; W136-F155 HydrophobicContact CB-CE2 4.24Å; W136-F155 HydrophobicContact CE3-CE2 4.4Å; A139-F155 HydrophobicContact CB-CB 3.72Å; A139-F155 HydrophobicContact CB-CD2 4.5Å; L147-F155 HydrophobicContact CD1-CB 3.71Å; L147-F155 HydrophobicContact CD1-CD2 4.31Å; L147-F155 HydrophobicContact CD1-CG 3.95Å; E151-F155 PolarHBondContact O-N 2.73Å; Y152-F155 HydrophobicContact CD2-CD1 4.12Å; Y152-F155 HydrophobicContact CE2-CD1 4.07Å; Y152-F155 HydrophobicContact CE2-CE1 4.44Å; Y152-F155 WeakPolarHBondContact O-CB 3.4Å; Y152-F155 PolarHBondContact O-N 2.76Å; G153-F155 VanDerWaalsContact C-N 3.32Å; G153-F155 PolarHBondContact O-N 3.31Å
156	L	93.5	Very high	93.8	Very high	25 Å²	25	39.2 Å²	39.2	13%	0.131	20%	0.197	C	C	.	.	H	α-helix	trans	-75.3	-40.5	179.5	-171.8	61.3	0	0	0	111.9	I85 Y152 G153 P158	I85-L156 HydrophobicContact CG1-CD2 4.39Å; Y152-L156 HydrophobicContact CE1-CD2 4.4Å; Y152-L156 WeakPolarHBondContact O-CB 3.49Å; Y152-L156 PolarHBondContact O-N 2.91Å; G153-L156 PolarHBondContact O-N 3.13Å; L156-P158 VanDerWaalsContact C-CD 3.48Å; L156-P158 WeakPolarHBondContact O-CD 3.05Å
157	H	91.4	Very high	93.5	Very high	7 Å²	7	36.4 Å²	36.4	3%	0.032	19%	0.185	C	C	.	.			trans	-124.8	67.9	-178.2	-55.7	-73.2	0	0	0	111.1	L81 D84 G153 C154 E159 S160	L81-H157 HydrophobicContact CD2-CB 3.71Å; D84-H157 IonicContact OD2-CE1 2.67Å; D84-H157 PolarHBondContact OD2-CE1 2.87Å; D84-H157 IonicContact OD2-NE2 3.93Å; D84-H157 PolarHBondContact OD2-NE2 3.4Å; G153-H157 PolarHBondContact O-N 3.15Å; C154-H157 CarbonylContact O-C 3.58Å; H157-E159 VanDerWaalsContact CA-OE2 3.32Å; H157-E159 WeakPolarHBondContact CA-OE2 3.45Å; H157-E159 IonicContact CG-OE1 3.84Å; H157-E159 IonicContact ND1-OE1 3.6Å; H157-E159 PolarHBondContact O-N 3.03Å; H157-S160 WeakPolarHBondContact CB-OG 3.47Å; H157-S160 WeakPolarHBondContact O-CB 3.46Å; H157-S160 PolarHBondContact O-N 3.07Å; H157-S160 PolarHBondContact O-OG 2.87Å
158	P	91.9	Very high	93.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-58.6	-30.2	-177.7	25	-35.6	0	0	0	113.6	L5 C154 L156 S160 C161 M164 V168	L5-P158 HydrophobicContact CD1-CG 4.02Å; L5-P158 HydrophobicContact CD2-CG 3.94Å; C154-P158 WeakPolarHBondContact O-CA 3.48Å; C154-P158 VanDerWaalsContact O-N 3.11Å; L156-P158 VanDerWaalsContact C-CD 3.48Å; L156-P158 WeakPolarHBondContact O-CD 3.05Å; P158-S160 PolarHBondContact O-N 3.37Å; P158-C161 PolarHBondContact O-N 2.74Å; P158-M164 HydrophobicContact CB-CB 3.72Å; P158-M164 HydrophobicContact CB-CE 4.11Å; P158-M164 HydrophobicContact CB-CG 4.47Å; P158-M164 VanDerWaalsContact O-CB 3.28Å; P158-M164 WeakPolarHBondContact O-CB 3.28Å; P158-V168 HydrophobicContact CB-CG2 3.83Å; P158-V168 HydrophobicContact CG-CG2 3.95Å
159	E	86.8	Confident	93	Very high	51 Å²	51	34.9 Å²	34.9	24%	0.238	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-62	-24	174.9	72.9	-73.1	177.5	0	0	113.2	L5 H157 V168	L5-E159 WeakPolarHBondContact CD2-OE2 3.22Å; H157-E159 VanDerWaalsContact CA-OE2 3.32Å; H157-E159 WeakPolarHBondContact CA-OE2 3.45Å; H157-E159 IonicContact CG-OE1 3.84Å; H157-E159 IonicContact ND1-OE1 3.6Å; H157-E159 PolarHBondContact O-N 3.03Å; E159-V168 HydrophobicContact CB-CG2 4.36Å
160	S	87	Confident	92.9	Very high	58 Å²	58	35.9 Å²	35.9	41%	0.406	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-84.8	-8.3	179.7	75.5	0	0	0	0	113.8	H157 P158	H157-S160 WeakPolarHBondContact CB-OG 3.47Å; H157-S160 WeakPolarHBondContact O-CB 3.46Å; H157-S160 PolarHBondContact O-N 3.07Å; H157-S160 PolarHBondContact O-OG 2.87Å; P158-S160 PolarHBondContact O-N 3.37Å
161	C	91	Very high	92.6	Very high	19 Å²	19	31 Å²	31	13%	0.128	16%	0.159	C	C	.	.	S	Bend	trans	-123	121.9	-173.9	-63.9	0	0	0	0	112.3	C154 P158 H163 M164 K165	C154-C161 WeakPolarHBondContact CA-SG 3.48Å; C154-C161 HydrophobicContact CB-CB 3.66Å; C154-C161 WeakPolarHBondContact CB-SG 3.41Å; C154-C161 WeakPolarHBondContact SG-CB 3.46Å; C154-C161 CovalentContact SG-SG 2.04Å; C154-C161 PolarHBondContact SG-SG 3.25Å; P158-C161 PolarHBondContact O-N 2.74Å; C161-H163 VanDerWaalsContact C-N 3.3Å; C161-H163 PolarHBondContact O-N 2.89Å; C161-H163 VanDerWaalsContact O-N 3.16Å; C161-M164 HydrophobicContact CB-CB 4.1Å; C161-M164 HydrophobicContact CB-CG 4.01Å; C161-M164 WeakPolarHBondContact O-CA 3.32Å; C161-M164 WeakPolarHBondContact O-CB 3.32Å; C161-M164 PolarHBondContact O-N 3.39Å; C161-K165 PolarHBondContact O-N 3.29Å
162	E	91.1	Very high	92.3	Very high	129 Å²	129	31.6 Å²	31.6	60%	0.603	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-53.4	-42.7	-175.1	-170.9	61.2	-146	0	0	113.8	M164 K165	E162-M164 PolarHBondContact O-N 2.75Å; E162-K165 WeakPolarHBondContact O-CG 3.48Å; E162-K165 PolarHBondContact O-N 3.34Å; E162-K165 WeakPolarHBondContact OE1-CD 3.45Å; E162-K165 WeakPolarHBondContact OE1-CE 3.01Å; E162-K165 IonicContact OE1-NZ 2.74Å; E162-K165 PolarHBondContact OE1-NZ 3.14Å; E162-K165 WeakPolarHBondContact OE2-CE 3.4Å; E162-K165 IonicContact OE2-NZ 2.95Å; E162-K165 PolarHBondContact OE2-NZ 3.49Å
163	H	93.7	Very high	92.1	Very high	94 Å²	94	32.5 Å²	32.5	44%	0.435	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-72.3	-13	-179.8	71	-84.1	0	0	0	113.8	T141 C161	T141-H163 WeakPolarHBondContact CG2-NE2 3.45Å; C161-H163 VanDerWaalsContact C-N 3.3Å; C161-H163 PolarHBondContact O-N 2.89Å; C161-H163 VanDerWaalsContact O-N 3.16Å
164	M	94.1	Very high	91.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-99.9	-5.5	-179.7	-67.1	-63	-77.9	0	0	113.1	R135 K138 A139 C154 P158 C161 E162 D166 V167 V168	R135-M164 HydrophobicContact CG-CE 3.66Å; K138-M164 VanDerWaalsContact C-SD 3.53Å; K138-M164 HydrophobicContact CB-CE 4.45Å; K138-M164 HydrophobicContact CB-SD 3.96Å; A139-M164 HydrophobicContact CB-CE 3.76Å; A139-M164 HydrophobicContact CB-SD 4.02Å; A139-M164 PolarHBondContact N-SD 2.75Å; C154-M164 HydrophobicContact CB-CG 3.95Å; P158-M164 HydrophobicContact CB-CB 3.72Å; P158-M164 HydrophobicContact CB-CE 4.11Å; P158-M164 HydrophobicContact CB-CG 4.47Å; P158-M164 VanDerWaalsContact O-CB 3.28Å; P158-M164 WeakPolarHBondContact O-CB 3.28Å; C161-M164 HydrophobicContact CB-CB 4.1Å; C161-M164 HydrophobicContact CB-CG 4.01Å; C161-M164 WeakPolarHBondContact O-CA 3.32Å; C161-M164 WeakPolarHBondContact O-CB 3.32Å; C161-M164 PolarHBondContact O-N 3.39Å; E162-M164 PolarHBondContact O-N 2.75Å; M164-D166 PolarHBondContact O-N 2.73Å; M164-D166 VanDerWaalsContact O-N 3.14Å; M164-V167 HydrophobicContact CE-CB 4.38Å; M164-V167 HydrophobicContact CE-CG2 3.72Å; M164-V167 WeakPolarHBondContact O-CA 3.45Å; M164-V167 WeakPolarHBondContact O-CB 3.5Å; M164-V167 PolarHBondContact O-N 2.71Å; M164-V167 HydrophobicContact SD-CG2 4.04Å; M164-V168 PolarHBondContact O-N 3.45Å
165	K	90.7	Very high	91.5	Very high	24 Å²	24	39.4 Å²	39.4	10%	0.104	20%	0.198	C	C	.	.	H	α-helix	trans	-51.9	-40.1	178	-70.3	-172.2	172.7	166.4	0	112.5	C161 E162 V167 V168 V169 M238 D240	C161-K165 PolarHBondContact O-N 3.29Å; E162-K165 WeakPolarHBondContact O-CG 3.48Å; E162-K165 PolarHBondContact O-N 3.34Å; E162-K165 WeakPolarHBondContact OE1-CD 3.45Å; E162-K165 WeakPolarHBondContact OE1-CE 3.01Å; E162-K165 IonicContact OE1-NZ 2.74Å; E162-K165 PolarHBondContact OE1-NZ 3.14Å; E162-K165 WeakPolarHBondContact OE2-CE 3.4Å; E162-K165 IonicContact OE2-NZ 2.95Å; E162-K165 PolarHBondContact OE2-NZ 3.49Å; K165-V167 PolarHBondContact O-N 3.01Å; K165-V168 WeakPolarHBondContact O-CB 3.38Å; K165-V168 PolarHBondContact O-N 2.95Å; K165-V168 VanDerWaalsContact O-N 3.09Å; K165-V169 WeakPolarHBondContact O-CG2 3.19Å; K165-V169 PolarHBondContact O-N 2.78Å; K165-V169 VanDerWaalsContact O-N 3.15Å; K165-M238 HydrophobicContact CB-CE 3.63Å; K165-M238 HydrophobicContact CB-SD 4.01Å; K165-M238 HydrophobicContact CD-CE 4.43Å; K165-M238 HydrophobicContact CD-SD 4.22Å; K165-M238 HydrophobicContact CG-CE 3.94Å; K165-M238 HydrophobicContact CG-SD 3.65Å; K165-M238 WeakPolarHBondContact O-CE 3.48Å; K165-D240 IonicContact NZ-OD1 2.66Å
166	D	92.6	Very high	91.3	Very high	81 Å²	81	39.6 Å²	39.6	43%	0.433	20%	0.199	S	C	.	.	H	α-helix	trans	-66.5	-26.1	179.9	-63.4	-11.7	0	0	0	112.5	M164 E170 K234	M164-D166 PolarHBondContact O-N 2.73Å; M164-D166 VanDerWaalsContact O-N 3.14Å; D166-E170 WeakPolarHBondContact O-CB 3.29Å; D166-E170 VanDerWaalsContact O-CG 3.3Å; D166-E170 WeakPolarHBondContact O-CG 3.13Å; D166-E170 PolarHBondContact O-N 3.31Å; D166-K234 IonicContact OD1-NZ 3.25Å; D166-K234 PolarHBondContact OD1-NZ 3.45Å
167	V	93	Very high	91.4	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.024	20%	0.199	C	C	.	.	H	α-helix	trans	-63.4	-49.4	169.9	177	0	0	0	0	110.3	R135 K138 M164 K165 V169 E170 E171	R135-V167 HydrophobicContact CB-CG1 4.22Å; R135-V167 HydrophobicContact CG-CG1 3.86Å; K138-V167 HydrophobicContact CB-CG2 3.85Å; K138-V167 HydrophobicContact CD-CG2 3.33Å; K138-V167 HydrophobicContact CG-CG2 4.24Å; M164-V167 HydrophobicContact CE-CB 4.38Å; M164-V167 HydrophobicContact CE-CG2 3.72Å; M164-V167 WeakPolarHBondContact O-CA 3.45Å; M164-V167 WeakPolarHBondContact O-CB 3.5Å; M164-V167 PolarHBondContact O-N 2.71Å; M164-V167 HydrophobicContact SD-CG2 4.04Å; K165-V167 PolarHBondContact O-N 3.01Å; V167-V169 PolarHBondContact O-N 3.04Å; V167-E170 PolarHBondContact O-N 3.39Å; V167-E171 HydrophobicContact CG1-CG 4.06Å; V167-E171 VanDerWaalsContact O-CB 3.28Å; V167-E171 WeakPolarHBondContact O-CB 3.2Å; V167-E171 WeakPolarHBondContact O-CG 3.27Å; V167-E171 PolarHBondContact O-N 3.47Å
168	V	91.3	Very high	91.4	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.03	22%	0.223	C	C	.	.	H	α-helix	trans	-57.2	-42.7	-178.2	-177.2	0	0	0	0	109.9	V9 P158 E159 M164 K165 T172 L237 M238	V9-V168 HydrophobicContact CG2-CG1 4.33Å; P158-V168 HydrophobicContact CB-CG2 3.83Å; P158-V168 HydrophobicContact CG-CG2 3.95Å; E159-V168 HydrophobicContact CB-CG2 4.36Å; M164-V168 PolarHBondContact O-N 3.45Å; K165-V168 WeakPolarHBondContact O-CB 3.38Å; K165-V168 PolarHBondContact O-N 2.95Å; K165-V168 VanDerWaalsContact O-N 3.09Å; V168-T172 VanDerWaalsContact O-CB 3.27Å; V168-T172 WeakPolarHBondContact O-CB 3.28Å; V168-T172 PolarHBondContact O-N 3.15Å; V168-T172 PolarHBondContact O-OG1 2.9Å; V168-L237 HydrophobicContact CG1-CD1 4.48Å; V168-M238 HydrophobicContact CB-CE 3.85Å; V168-M238 HydrophobicContact CB-SD 4.29Å; V168-M238 HydrophobicContact CG1-CE 4.12Å; V168-M238 HydrophobicContact CG1-SD 4.39Å; V168-M238 HydrophobicContact CG2-CE 4.41Å; V168-M238 HydrophobicContact CG2-SD 4.29Å
169	V	92.3	Very high	91.5	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.042	24%	0.244	C	C	.	.	H	α-helix	trans	-65.2	-51.4	178	178.8	0	0	0	0	111.7	K165 V167 E171 T172 L173 A230 L233 K234 L237 M238	K165-V169 WeakPolarHBondContact O-CG2 3.19Å; K165-V169 PolarHBondContact O-N 2.78Å; K165-V169 VanDerWaalsContact O-N 3.15Å; V167-V169 PolarHBondContact O-N 3.04Å; V169-E171 VanDerWaalsContact C-N 3.32Å; V169-E171 PolarHBondContact O-N 2.77Å; V169-T172 PolarHBondContact O-N 3.13Å; V169-L173 VanDerWaalsContact O-CB 3.29Å; V169-L173 WeakPolarHBondContact O-CB 3.08Å; V169-L173 PolarHBondContact O-N 3.47Å; V169-A230 HydrophobicContact CG1-CB 4.18Å; V169-A230 WeakPolarHBondContact CG1-O 3.36Å; V169-L233 HydrophobicContact CG1-CB 4.42Å; V169-L233 HydrophobicContact CG1-CD2 4.02Å; V169-L233 HydrophobicContact CG1-CG 4.36Å; V169-K234 HydrophobicContact CG2-CB 3.56Å; V169-K234 HydrophobicContact CG2-CD 4.27Å; V169-K234 HydrophobicContact CG2-CG 3.76Å; V169-L237 HydrophobicContact CG2-CD1 4.48Å; V169-M238 HydrophobicContact CG2-CE 4.05Å
170	E	92.7	Very high	91.9	Very high	99 Å²	99	50 Å²	50	46%	0.463	26%	0.26	S	S	.	.	H	α-helix	trans	-61.4	-40.8	-179.5	-77.5	172.9	-165	0	0	112.5	K138 D166 V167 K174	K138-E170 IonicContact NZ-OE1 2.68Å; K138-E170 PolarHBondContact NZ-OE1 2.89Å; K138-E170 IonicContact NZ-OE2 3.47Å; K138-E170 PolarHBondContact NZ-OE2 3.39Å; D166-E170 WeakPolarHBondContact O-CB 3.29Å; D166-E170 VanDerWaalsContact O-CG 3.3Å; D166-E170 WeakPolarHBondContact O-CG 3.13Å; D166-E170 PolarHBondContact O-N 3.31Å; V167-E170 PolarHBondContact O-N 3.39Å; E170-K174 WeakPolarHBondContact O-CB 3.26Å; E170-K174 PolarHBondContact O-N 2.94Å
171	E	90.6	Very high	92.3	Very high	16 Å²	16	50.4 Å²	50.4	8%	0.075	26%	0.258	C	S	.	.	H	α-helix	trans	-68.4	-42.2	178.5	-78.5	-170.1	179	0	0	112.2	R131 R135 V167 V169 K174 D175	R131-E171 HydrophobicContact CG-CG 4.22Å; R131-E171 VanDerWaalsContact CZ-CD 3.47Å; R131-E171 IonicContact CZ-OE2 2.86Å; R131-E171 IonicContact NH1-OE1 2.98Å; R131-E171 PolarHBondContact NH1-OE1 3.21Å; R131-E171 IonicContact NH1-OE2 3.15Å; R131-E171 PolarHBondContact NH1-OE2 3.27Å; R131-E171 IonicContact NH2-OE2 3.18Å; R131-E171 PolarHBondContact NH2-OE2 3.32Å; R135-E171 IonicContact CZ-OE1 2.69Å; R135-E171 VanDerWaalsContact CZ-OE1 3.25Å; R135-E171 IonicContact CZ-OE2 2.65Å; R135-E171 IonicContact NE-OE1 3.43Å; R135-E171 PolarHBondContact NE-OE1 2.79Å; R135-E171 IonicContact NE-OE2 2.97Å; R135-E171 IonicContact NH2-OE1 2.72Å; R135-E171 PolarHBondContact NH2-OE1 2.91Å; R135-E171 IonicContact NH2-OE2 3.25Å; R135-E171 PolarHBondContact NH2-OE2 2.96Å; V167-E171 HydrophobicContact CG1-CG 4.06Å; V167-E171 VanDerWaalsContact O-CB 3.28Å; V167-E171 WeakPolarHBondContact O-CB 3.2Å; V167-E171 WeakPolarHBondContact O-CG 3.27Å; V167-E171 PolarHBondContact O-N 3.47Å; V169-E171 VanDerWaalsContact C-N 3.32Å; V169-E171 PolarHBondContact O-N 2.77Å; E171-K174 PolarHBondContact O-N 2.89Å; E171-D175 VanDerWaalsContact O-CG 3.23Å; E171-D175 PolarHBondContact O-N 3.38Å; E171-D175 VanDerWaalsContact O-N 3.13Å
172	T	90.4	Very high	92.5	Very high	18 Å²	18	53.2 Å²	53.2	11%	0.11	28%	0.277	C	S	.	.	H	α-helix	trans	-64.9	-43.8	175.3	-57.3	0	0	0	0	110.8	V168 V169 K174 D175 M176 L233 L237	V168-T172 VanDerWaalsContact O-CB 3.27Å; V168-T172 WeakPolarHBondContact O-CB 3.28Å; V168-T172 PolarHBondContact O-N 3.15Å; V168-T172 PolarHBondContact O-OG1 2.9Å; V169-T172 PolarHBondContact O-N 3.13Å; T172-K174 VanDerWaalsContact C-N 3.32Å; T172-K174 PolarHBondContact O-N 3.4Å; T172-D175 PolarHBondContact O-N 2.98Å; T172-D175 VanDerWaalsContact O-N 3.15Å; T172-M176 HydrophobicContact CG2-CG 4.17Å; T172-M176 HydrophobicContact CG2-SD 3.47Å; T172-M176 WeakPolarHBondContact CG2-SD 3.48Å; T172-M176 WeakPolarHBondContact O-CB 3.36Å; T172-M176 VanDerWaalsContact O-CG 3.32Å; T172-M176 WeakPolarHBondContact O-CG 3.47Å; T172-M176 PolarHBondContact O-N 2.97Å; T172-L233 HydrophobicContact CG2-CD1 4.22Å; T172-L233 HydrophobicContact CG2-CD2 4.43Å; T172-L237 HydrophobicContact CG2-CD1 3.81Å; T172-L237 HydrophobicContact CG2-CD2 4.04Å
173	L	92.6	Very high	92.8	Very high	26 Å²	26	50.1 Å²	50.1	14%	0.136	26%	0.263	C	S	.	.	H	α-helix	trans	-57.4	-46.7	175.5	-178.7	64.7	0	0	0	110.8	V169 D175 M176 D177 V184 L233	V169-L173 VanDerWaalsContact O-CB 3.29Å; V169-L173 WeakPolarHBondContact O-CB 3.08Å; V169-L173 PolarHBondContact O-N 3.47Å; L173-D175 VanDerWaalsContact C-N 3.26Å; L173-D175 PolarHBondContact O-N 3.5Å; L173-M176 PolarHBondContact O-N 3.28Å; L173-D177 HydrophobicContact CD1-CB 4.09Å; L173-D177 HydrophobicContact CG-CB 4.43Å; L173-D177 WeakPolarHBondContact O-CB 3.29Å; L173-D177 PolarHBondContact O-N 3.41Å; L173-V184 HydrophobicContact CD1-CG2 3.62Å; L173-L233 HydrophobicContact CB-CD2 3.85Å; L173-L233 HydrophobicContact CD1-CD2 4.33Å
174	K	89.7	Confident	92.9	Very high	104 Å²	104	45.6 Å²	45.6	45%	0.452	24%	0.243	S	C	.	.	H	α-helix	trans	-61.6	-33.6	178.6	-171	-174.4	178.6	-160.2	0	113	D127 E170 E171 T172	D127-K174 IonicContact OD1-NZ 2.72Å; D127-K174 PolarHBondContact OD1-NZ 3.01Å; D127-K174 IonicContact OD2-NZ 2.67Å; D127-K174 PolarHBondContact OD2-NZ 3.06Å; E170-K174 WeakPolarHBondContact O-CB 3.26Å; E170-K174 PolarHBondContact O-N 2.94Å; E171-K174 PolarHBondContact O-N 2.89Å; T172-K174 VanDerWaalsContact C-N 3.32Å; T172-K174 PolarHBondContact O-N 3.4Å
175	D	88.7	Confident	93.1	Very high	60 Å²	60	47.3 Å²	47.3	32%	0.321	25%	0.252	S	S	.	.	H	α-helix	trans	-79.5	-30.9	-179.1	-65.8	-16	0	0	0	111.6	S2 R131 E171 T172 L173	S2-D175 PolarHBondContact OG-OD2 2.84Å; S2-D175 VanDerWaalsContact OG-OD2 3.11Å; R131-D175 IonicContact CZ-OD2 2.81Å; R131-D175 IonicContact NH2-OD1 2.63Å; R131-D175 IonicContact NH2-OD2 3.5Å; R131-D175 PolarHBondContact NH2-OD2 3.34Å; E171-D175 VanDerWaalsContact O-CG 3.23Å; E171-D175 PolarHBondContact O-N 3.38Å; E171-D175 VanDerWaalsContact O-N 3.13Å; T172-D175 PolarHBondContact O-N 2.98Å; T172-D175 VanDerWaalsContact O-N 3.15Å; L173-D175 VanDerWaalsContact C-N 3.26Å; L173-D175 PolarHBondContact O-N 3.5Å
176	M	92.6	Very high	93.3	Very high	4 Å²	4	48 Å²	48	2%	0.02	26%	0.256	C	S	.	.	H	α-helix	trans	-92.6	-39.9	-177.9	-63.9	177.9	83.3	0	0	114.5	T172 L173 R178 V184 Y189 D192 L233 W236	T172-M176 HydrophobicContact CG2-CG 4.17Å; T172-M176 HydrophobicContact CG2-SD 3.47Å; T172-M176 WeakPolarHBondContact CG2-SD 3.48Å; T172-M176 WeakPolarHBondContact O-CB 3.36Å; T172-M176 VanDerWaalsContact O-CG 3.32Å; T172-M176 WeakPolarHBondContact O-CG 3.47Å; T172-M176 PolarHBondContact O-N 2.97Å; L173-M176 PolarHBondContact O-N 3.28Å; M176-R178 PolarHBondContact O-N 3.04Å; M176-V184 HydrophobicContact CB-CG1 4.18Å; M176-V184 HydrophobicContact CB-CG2 3.88Å; M176-V184 HydrophobicContact CE-CG1 3.76Å; M176-V184 HydrophobicContact SD-CG1 4.41Å; M176-V184 HydrophobicContact SD-CG2 4.33Å; M176-Y189 HydrophobicContact CE-CD2 4.02Å; M176-D192 HydrophobicContact CE-CB 3.88Å; M176-D192 HydrophobicContact CG-CB 4.45Å; M176-L233 HydrophobicContact SD-CD1 4.24Å; M176-W236 HydrophobicContact CE-CH2 4.06Å; M176-W236 HydrophobicContact CE-CZ3 3.91Å; M176-W236 HydrophobicContact SD-CH2 4.41Å; M176-W236 HydrophobicContact SD-CZ3 3.97Å
177	D	95	Very high	93.5	Very high	25 Å²	25	50.5 Å²	50.5	13%	0.134	27%	0.265	C	S	.	.			trans	-71.9	93.2	-178.1	176.4	13.5	0	0	0	110.2	L173 N179 G180 D181 S182	L173-D177 HydrophobicContact CD1-CB 4.09Å; L173-D177 HydrophobicContact CG-CB 4.43Å; L173-D177 WeakPolarHBondContact O-CB 3.29Å; L173-D177 PolarHBondContact O-N 3.41Å; D177-N179 PolarHBondContact OD1-N 3.4Å; D177-N179 PolarHBondContact OD1-OD1 3.1Å; D177-G180 WeakPolarHBondContact OD1-CA 3.27Å; D177-G180 PolarHBondContact OD1-N 2.89Å; D177-G180 VanDerWaalsContact OD2-C 3.31Å; D177-G180 VanDerWaalsContact OD2-CA 3.29Å; D177-G180 WeakPolarHBondContact OD2-CA 3.49Å; D177-D181 PolarHBondContact OD1-N 3.35Å; D177-D181 PolarHBondContact OD2-N 3.27Å; D177-S182 VanDerWaalsContact OD2-CA 3.26Å; D177-S182 WeakPolarHBondContact OD2-CA 3.43Å; D177-S182 PolarHBondContact OD2-N 2.69Å
178	R	92	Very high	93.6	Very high	140 Å²	140	50.7 Å²	50.7	53%	0.528	27%	0.266	S	S	.	.	S	Bend	trans	-83.2	-24.9	-177.8	-66.7	-174.2	-178.3	168.9	7.9	111.6	M176 E188 N191	M176-R178 PolarHBondContact O-N 3.04Å; R178-E188 HydrophobicContact CB-CG 4.49Å; R178-E188 PolarHBondContact N-OE1 3.41Å; R178-N191 PolarHBondContact NH2-O 3.42Å
179	N	94.2	Very high	93.6	Very high	82 Å²	82	50.5 Å²	50.5	44%	0.439	27%	0.265	S	S	.	.	S	Bend	trans	-91.4	-16	-175.5	78	53.7	0	0	0	112.9	D177 D181 E188	D177-N179 PolarHBondContact OD1-N 3.4Å; D177-N179 PolarHBondContact OD1-OD1 3.1Å; N179-D181 WeakPolarHBondContact OD1-CB 3.18Å; N179-D181 PolarHBondContact OD1-N 3Å; N179-D181 PolarHBondContact OD1-OD1 3.24Å; N179-D181 PolarHBondContact OD1-OD2 3.2Å; N179-E188 PolarHBondContact N-OE1 3.21Å; N179-E188 PolarHBondContact ND2-OE1 2.91Å; N179-E188 PolarHBondContact ND2-OE2 3.05Å
180	G	94.4	Very high	93.6	Very high	56 Å²	56	50.2 Å²	50.2	58%	0.577	26%	0.263	S	S	*	.	S	Bend	trans	79.8	20.8	175.8	0	0	0	0	0	114.5	D177 S182	D177-G180 WeakPolarHBondContact OD1-CA 3.27Å; D177-G180 PolarHBondContact OD1-N 2.89Å; D177-G180 VanDerWaalsContact OD2-C 3.31Å; D177-G180 VanDerWaalsContact OD2-CA 3.29Å; D177-G180 WeakPolarHBondContact OD2-CA 3.49Å; G180-S182 VanDerWaalsContact C-N 3.27Å
181	D	96	Very high	93.5	Very high	66 Å²	66	47 Å²	47	35%	0.353	25%	0.249	S	C	.	.	S	Bend	trans	-86.4	5.1	179.3	77.8	1.3	0	0	0	114.1	D177 N179 M183 K227	D177-D181 PolarHBondContact OD1-N 3.35Å; D177-D181 PolarHBondContact OD2-N 3.27Å; N179-D181 WeakPolarHBondContact OD1-CB 3.18Å; N179-D181 PolarHBondContact OD1-N 3Å; N179-D181 PolarHBondContact OD1-OD1 3.24Å; N179-D181 PolarHBondContact OD1-OD2 3.2Å; D181-M183 PolarHBondContact O-N 3.25Å; D181-M183 WeakPolarHBondContact OD1-CB 3.48Å; D181-M183 PolarHBondContact OD1-N 2.99Å; D181-K227 IonicContact OD2-NZ 3.98Å; D181-K227 PolarHBondContact OD2-NZ 3.02Å
182	S	95.3	Very high	93.3	Very high	77 Å²	77	49.1 Å²	49.1	54%	0.538	26%	0.261	S	S	.	.	S	Bend	trans	64.4	20.2	-180	-49.4	0	0	0	0	114.2	D177 G180	D177-S182 VanDerWaalsContact OD2-CA 3.26Å; D177-S182 WeakPolarHBondContact OD2-CA 3.43Å; D177-S182 PolarHBondContact OD2-N 2.69Å; G180-S182 VanDerWaalsContact C-N 3.27Å
183	M	96.8	Very high	93	Very high	64 Å²	64	50.4 Å²	50.4	32%	0.315	27%	0.266	S	S	.	.	S	Bend	trans	-129.5	166.6	171.9	-54.4	-61.5	-156.6	0	0	109.3	D181 K227 N229	D181-M183 PolarHBondContact O-N 3.25Å; D181-M183 WeakPolarHBondContact OD1-CB 3.48Å; D181-M183 PolarHBondContact OD1-N 2.99Å; M183-K227 HydrophobicContact CB-CB 4.12Å; M183-K227 HydrophobicContact CB-CD 4.16Å; M183-N229 HydrophobicContact CE-CB 3.87Å; M183-N229 WeakPolarHBondContact SD-CA 3.46Å; M183-N229 HydrophobicContact SD-CB 3.65Å
184	V	96.8	Very high	92.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	109.8	172.3	-178.2	0	0	0	0	109	L173 M176 E188 K227 L228 L233	L173-V184 HydrophobicContact CD1-CG2 3.62Å; M176-V184 HydrophobicContact CB-CG1 4.18Å; M176-V184 HydrophobicContact CB-CG2 3.88Å; M176-V184 HydrophobicContact CE-CG1 3.76Å; M176-V184 HydrophobicContact SD-CG1 4.41Å; M176-V184 HydrophobicContact SD-CG2 4.33Å; V184-E188 HydrophobicContact CG1-CB 3.87Å; V184-K227 CarbonylContact O-C 3.49Å; V184-K227 WeakPolarHBondContact O-CA 3.3Å; V184-L228 HydrophobicContact CB-CB 4.32Å; V184-L228 PolarHBondContact N-O 2.66Å; V184-L228 PolarHBondContact O-N 3.26Å; V184-L233 HydrophobicContact CG2-CD2 4.48Å
185	D	97.2	Very high	92.8	Very high	35 Å²	35	49.2 Å²	49.2	19%	0.187	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	170.3	174	72.2	43.8	0	0	0	113.2	E187 E188 Y189 K227	D185-E187 PolarHBondContact O-N 3.3Å; D185-E187 WeakPolarHBondContact OD1-CA 3.47Å; D185-E187 WeakPolarHBondContact OD1-CB 3.46Å; D185-E187 PolarHBondContact OD1-N 3.15Å; D185-E188 PolarHBondContact N-OE2 3.01Å; D185-E188 PolarHBondContact O-N 3.29Å; D185-E188 PolarHBondContact OD1-N 3.09Å; D185-Y189 VanDerWaalsContact O-CB 3.29Å; D185-Y189 WeakPolarHBondContact O-CB 3.42Å; D185-Y189 PolarHBondContact O-N 3.12Å; D185-K227 HydrophobicContact CB-CG 3.94Å; D185-K227 IonicContact OD2-NZ 2.75Å
186	L	96.1	Very high	92.7	Very high	38 Å²	38	49.5 Å²	49.5	20%	0.199	26%	0.262	C	S	.	.	H	α-helix	trans	-58.6	-32.7	-179.2	179.2	62.1	0	0	0	113.4	Y189 I190 R213 F216	L186-Y189 HydrophobicContact CD1-CD1 4.46Å; L186-I190 HydrophobicContact CD1-CG1 4.21Å; L186-I190 WeakPolarHBondContact O-CG1 3.38Å; L186-I190 PolarHBondContact O-N 2.81Å; L186-I190 VanDerWaalsContact O-N 3.14Å; L186-R213 HydrophobicContact CD1-CB 4.35Å; L186-R213 HydrophobicContact CD1-CG 4.18Å; L186-F216 HydrophobicContact CB-CD1 4.46Å; L186-F216 HydrophobicContact CB-CE1 4.2Å; L186-F216 HydrophobicContact CB-CZ 4.32Å; L186-F216 HydrophobicContact CD1-CB 3.84Å; L186-F216 HydrophobicContact CD1-CD1 3.77Å; L186-F216 HydrophobicContact CD1-CD2 4.05Å; L186-F216 HydrophobicContact CD1-CE1 4.33Å; L186-F216 HydrophobicContact CD1-CG 3.62Å
187	E	95.2	Very high	92.6	Very high	134 Å²	134	56.1 Å²	56.1	63%	0.626	29%	0.293	S	S	*	.	H	α-helix	trans	-74.5	-43.8	179.7	-175.9	173	-179	0	0	110.3	D185 I190 N191	D185-E187 PolarHBondContact O-N 3.3Å; D185-E187 WeakPolarHBondContact OD1-CA 3.47Å; D185-E187 WeakPolarHBondContact OD1-CB 3.46Å; D185-E187 PolarHBondContact OD1-N 3.15Å; E187-I190 PolarHBondContact O-N 3.38Å; E187-N191 WeakPolarHBondContact O-CB 2.97Å; E187-N191 PolarHBondContact O-N 3.14Å; E187-N191 PolarHBondContact O-ND2 2.88Å; E187-N191 VanDerWaalsContact O-ND2 3.15Å
188	E	95.1	Very high	92.2	Very high	9 Å²	9	58.8 Å²	58.8	4%	0.042	31%	0.308	C	S	.	.	H	α-helix	trans	-59.5	-46.2	172.7	-71.4	169.5	151.6	0	0	111.9	R178 N179 V184 D185 I190 N191 D192	R178-E188 HydrophobicContact CB-CG 4.49Å; R178-E188 PolarHBondContact N-OE1 3.41Å; N179-E188 PolarHBondContact N-OE1 3.21Å; N179-E188 PolarHBondContact ND2-OE1 2.91Å; N179-E188 PolarHBondContact ND2-OE2 3.05Å; V184-E188 HydrophobicContact CG1-CB 3.87Å; D185-E188 PolarHBondContact N-OE2 3.01Å; D185-E188 PolarHBondContact O-N 3.29Å; D185-E188 PolarHBondContact OD1-N 3.09Å; E188-I190 PolarHBondContact O-N 3Å; E188-N191 PolarHBondContact O-N 3.4Å; E188-D192 PolarHBondContact O-N 3.3Å
189	Y	92.7	Very high	92	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-56.1	-48	176.1	176.3	-103.3	0	0	0	112.6	M176 D185 L186 M193 E212 F216 R220 L228 W236	M176-Y189 HydrophobicContact CE-CD2 4.02Å; D185-Y189 VanDerWaalsContact O-CB 3.29Å; D185-Y189 WeakPolarHBondContact O-CB 3.42Å; D185-Y189 PolarHBondContact O-N 3.12Å; L186-Y189 HydrophobicContact CD1-CD1 4.46Å; Y189-M193 HydrophobicContact CE1-SD 4.43Å; Y189-M193 HydrophobicContact CE2-CE 4.27Å; Y189-M193 VanDerWaalsContact OH-CE 3.31Å; Y189-M193 WeakPolarHBondContact OH-CE 3.3Å; Y189-E212 HydrophobicContact CE1-CB 4.4Å; Y189-E212 PolarHBondContact OH-OE2 3.37Å; Y189-E212 VanDerWaalsContact OH-OE2 3.13Å; Y189-F216 HydrophobicContact CD1-CB 4.26Å; Y189-F216 AromaticContact CD1-CD2 3.53Å; Y189-F216 HydrophobicContact CD1-CD2 3.53Å; Y189-F216 HydrophobicContact CD1-CE2 4.28Å; Y189-F216 HydrophobicContact CD1-CG 4.29Å; Y189-F216 HydrophobicContact CD2-CD2 4.13Å; Y189-F216 HydrophobicContact CD2-CE2 4.44Å; Y189-F216 HydrophobicContact CE1-CB 4.22Å; Y189-F216 HydrophobicContact CE1-CD2 4.08Å; Y189-F216 AromaticContact CG-CD2 3.59Å; Y189-F216 HydrophobicContact CG-CD2 3.59Å; Y189-F216 AromaticContact CG-CE2 3.93Å; Y189-F216 HydrophobicContact CG-CE2 3.93Å; Y189-R220 PolarHBondContact OH-NE 3.22Å; Y189-R220 VanDerWaalsContact OH-NE 3.15Å; Y189-R220 PolarHBondContact OH-NH1 3.09Å; Y189-R220 PolarHBondContact OH-NH2 3.31Å; Y189-R220 VanDerWaalsContact OH-NH2 3.14Å; Y189-L228 HydrophobicContact CD2-CD1 4.2Å; Y189-W236 HydrophobicContact CD2-CH2 4.19Å; Y189-W236 HydrophobicContact CD2-CZ3 4.26Å; Y189-W236 HydrophobicContact CE2-CD2 4.27Å; Y189-W236 AromaticContact CE2-CE2 3.91Å; Y189-W236 HydrophobicContact CE2-CE3 4.28Å; Y189-W236 AromaticContact CE2-CH2 3.64Å; Y189-W236 HydrophobicContact CE2-CH2 3.64Å; Y189-W236 AromaticContact CE2-CZ2 3.61Å; Y189-W236 HydrophobicContact CE2-CZ2 3.61Å; Y189-W236 AromaticContact CE2-CZ3 3.98Å; Y189-W236 HydrophobicContact CE2-CZ3 3.98Å
190	I	92.4	Very high	91.7	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-74.2	-35.1	180	-66	-62	0	0	0	111.7	L186 E187 E188 D192 M193 Y194 V209 E212 R213	L186-I190 HydrophobicContact CD1-CG1 4.21Å; L186-I190 WeakPolarHBondContact O-CG1 3.38Å; L186-I190 PolarHBondContact O-N 2.81Å; L186-I190 VanDerWaalsContact O-N 3.14Å; E187-I190 PolarHBondContact O-N 3.38Å; E188-I190 PolarHBondContact O-N 3Å; I190-D192 PolarHBondContact O-N 3.24Å; I190-M193 PolarHBondContact O-N 2.89Å; I190-Y194 PolarHBondContact O-N 3.16Å; I190-V209 HydrophobicContact CD1-CG1 4.36Å; I190-V209 HydrophobicContact CG2-CG1 3.57Å; I190-E212 HydrophobicContact CD1-CB 3.78Å; I190-R213 HydrophobicContact CD1-CG 3.98Å; I190-R213 HydrophobicContact CG1-CG 3.91Å
191	N	90.8	Very high	91.5	Very high	33 Å²	33	61 Å²	61	18%	0.176	32%	0.319	C	S	.	.	H	α-helix	trans	-66.8	-13.6	178.3	-81.3	-28.2	0	0	0	114.2	R178 E187 E188 R195	R178-N191 PolarHBondContact NH2-O 3.42Å; E187-N191 WeakPolarHBondContact O-CB 2.97Å; E187-N191 PolarHBondContact O-N 3.14Å; E187-N191 PolarHBondContact O-ND2 2.88Å; E187-N191 VanDerWaalsContact O-ND2 3.15Å; E188-N191 PolarHBondContact O-N 3.4Å; N191-R195 HydrophobicContact CB-CG 4.48Å; N191-R195 WeakPolarHBondContact O-CD 3.47Å; N191-R195 VanDerWaalsContact O-CG 3.27Å; N191-R195 WeakPolarHBondContact O-CG 3.43Å
192	D	86.3	Confident	91.1	Very high	59 Å²	59	61.2 Å²	61.2	32%	0.316	32%	0.318	S	S	.	.	H	α-helix	trans	-76.2	-33.7	169.7	-171.4	63.4	0	0	0	111.8	M176 E188 I190	M176-D192 HydrophobicContact CE-CB 3.88Å; M176-D192 HydrophobicContact CG-CB 4.45Å; E188-D192 PolarHBondContact O-N 3.3Å; I190-D192 PolarHBondContact O-N 3.24Å
193	M	84.3	Confident	90.6	Very high	46 Å²	46	67.2 Å²	67.2	23%	0.227	33%	0.334	C	S	.	.	H	α-helix	trans	-98.4	-33.7	-177.4	-61.1	178.7	162.7	0	0	113.9	Y189 I190 W208 E212 W236	Y189-M193 HydrophobicContact CE1-SD 4.43Å; Y189-M193 HydrophobicContact CE2-CE 4.27Å; Y189-M193 VanDerWaalsContact OH-CE 3.31Å; Y189-M193 WeakPolarHBondContact OH-CE 3.3Å; I190-M193 PolarHBondContact O-N 2.89Å; M193-W208 HydrophobicContact CB-CH2 4.02Å; M193-W208 HydrophobicContact CB-CZ3 4.07Å; M193-E212 HydrophobicContact SD-CG 4.16Å; M193-W236 HydrophobicContact CE-CZ2 3.88Å
194	Y	87.1	Confident	90.3	Very high	9 Å²	9	72.4 Å²	72.4	4%	0.035	36%	0.355	C	S	.	.			trans	-146.3	121.4	-174.6	177.8	-103.3	0	0	0	111.2	I190 P196 Y199 Q202 E205 P206 W208 V209	I190-Y194 PolarHBondContact O-N 3.16Å; Y194-P196 HydrophobicContact CE1-CG 3.87Å; Y194-Y199 AromaticContact CD2-CD2 3.76Å; Y194-Y199 HydrophobicContact CD2-CD2 3.76Å; Y194-Y199 AromaticContact CD2-CE2 3.72Å; Y194-Y199 HydrophobicContact CD2-CE2 3.72Å; Y194-Y199 AromaticContact CE2-CD2 3.5Å; Y194-Y199 HydrophobicContact CE2-CD2 3.5Å; Y194-Y199 VanDerWaalsContact CE2-CD2 3.5Å; Y194-Y199 AromaticContact CE2-CE2 3.97Å; Y194-Y199 HydrophobicContact CE2-CE2 3.97Å; Y194-Y199 HydrophobicContact CE2-CG 4.33Å; Y194-Q202 PolarHBondContact OH-NE2 3.18Å; Y194-E205 HydrophobicContact CD1-CG 4.18Å; Y194-E205 HydrophobicContact CE1-CB 4.32Å; Y194-E205 HydrophobicContact CE1-CG 3.77Å; Y194-P206 HydrophobicContact CD2-CG 4.36Å; Y194-P206 HydrophobicContact CE2-CG 4.05Å; Y194-W208 HydrophobicContact CD2-CZ2 4.28Å; Y194-V209 HydrophobicContact CD1-CG1 4.38Å; Y194-V209 HydrophobicContact CD1-CG2 3.93Å; Y194-V209 HydrophobicContact CD2-CG2 4.26Å; Y194-V209 HydrophobicContact CG-CG2 3.73Å
195	R	89.3	Confident	90	Very high	95 Å²	95	76.4 Å²	76.4	36%	0.358	37%	0.374	S	S	.	.			trans	-123	126	167.4	-61.4	-179.8	-62.6	-150.8	-4.7	108.6	N191 E197 D198	N191-R195 HydrophobicContact CB-CG 4.48Å; N191-R195 WeakPolarHBondContact O-CD 3.47Å; N191-R195 VanDerWaalsContact O-CG 3.27Å; N191-R195 WeakPolarHBondContact O-CG 3.43Å; R195-E197 PolarHBondContact O-N 2.66Å; R195-D198 IonicContact CZ-OD1 3.77Å; R195-D198 IonicContact CZ-OD2 2.66Å; R195-D198 IonicContact NE-OD1 3.76Å; R195-D198 IonicContact NE-OD2 3.44Å; R195-D198 PolarHBondContact NE-OD2 3.09Å; R195-D198 IonicContact NH2-OD1 2.71Å; R195-D198 PolarHBondContact NH2-OD1 3.45Å; R195-D198 IonicContact NH2-OD2 3.2Å; R195-D198 PolarHBondContact NH2-OD2 3.37Å; R195-D198 PolarHBondContact O-N 3.24Å
196	P	88.2	Confident	89.6	Confident	67 Å²	67	75.8 Å²	75.8	44%	0.435	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-53	-30.6	178	-26.9	34.4	0	0	0	113.6	Y194 D198 Y199	Y194-P196 HydrophobicContact CE1-CG 3.87Å; P196-D198 VanDerWaalsContact C-N 3.28Å; P196-D198 PolarHBondContact O-N 2.98Å; P196-Y199 CarbonylContact O-C 3.51Å; P196-Y199 PolarHBondContact O-N 3.46Å
197	E	89.1	Confident	89.3	Confident	142 Å²	142	82.8 Å²	82.8	66%	0.664	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-66.7	-26.8	-179.7	-59.9	72.2	-151.8	0	0	113.4	R195 Y199	R195-E197 PolarHBondContact O-N 2.66Å; E197-Y199 VanDerWaalsContact C-N 3.27Å
198	D	87.1	Confident	88.9	Confident	82 Å²	82	80.2 Å²	80.2	44%	0.439	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-77.5	-16.5	178.4	-64.9	-28.2	0	0	0	111.8	R195 P196 P200	R195-D198 IonicContact CZ-OD1 3.77Å; R195-D198 IonicContact CZ-OD2 2.66Å; R195-D198 IonicContact NE-OD1 3.76Å; R195-D198 IonicContact NE-OD2 3.44Å; R195-D198 PolarHBondContact NE-OD2 3.09Å; R195-D198 IonicContact NH2-OD1 2.71Å; R195-D198 PolarHBondContact NH2-OD1 3.45Å; R195-D198 IonicContact NH2-OD2 3.2Å; R195-D198 PolarHBondContact NH2-OD2 3.37Å; R195-D198 PolarHBondContact O-N 3.24Å; P196-D198 VanDerWaalsContact C-N 3.28Å; P196-D198 PolarHBondContact O-N 2.98Å; D198-P200 VanDerWaalsContact C-CD 3.49Å; D198-P200 WeakPolarHBondContact O-CD 3.44Å
199	Y	88.4	Confident	88.6	Confident	56 Å²	56	79.8 Å²	79.8	22%	0.22	39%	0.386	C	S	.	.			trans	-125.2	66.1	-177.9	-54.9	-79.3	0	0	0	111.9	E26 Y194 P196 E197 D201 Q202	E26-Y199 PolarHBondContact OE1-OH 3.42Å; Y194-Y199 AromaticContact CD2-CD2 3.76Å; Y194-Y199 HydrophobicContact CD2-CD2 3.76Å; Y194-Y199 AromaticContact CD2-CE2 3.72Å; Y194-Y199 HydrophobicContact CD2-CE2 3.72Å; Y194-Y199 AromaticContact CE2-CD2 3.5Å; Y194-Y199 HydrophobicContact CE2-CD2 3.5Å; Y194-Y199 VanDerWaalsContact CE2-CD2 3.5Å; Y194-Y199 AromaticContact CE2-CE2 3.97Å; Y194-Y199 HydrophobicContact CE2-CE2 3.97Å; Y194-Y199 HydrophobicContact CE2-CG 4.33Å; P196-Y199 CarbonylContact O-C 3.51Å; P196-Y199 PolarHBondContact O-N 3.46Å; E197-Y199 VanDerWaalsContact C-N 3.27Å; Y199-D201 PolarHBondContact O-N 2.95Å; Y199-D201 VanDerWaalsContact O-N 3.11Å; Y199-Q202 WeakPolarHBondContact O-CB 3.32Å; Y199-Q202 PolarHBondContact O-N 3.48Å
200	P	87.2	Confident	88.5	Confident	111 Å²	111	84 Å²	84	72%	0.721	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-26.9	-170.9	24.5	-35.3	0	0	0	114.4	D198	D198-P200 VanDerWaalsContact C-CD 3.49Å; D198-P200 WeakPolarHBondContact O-CD 3.44Å
201	D	90.6	Very high	88.2	Confident	156 Å²	156	86 Å²	86	83%	0.834	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-13.4	178.2	-68.7	-45.3	0	0	0	113.2	Y199 K203	Y199-D201 PolarHBondContact O-N 2.95Å; Y199-D201 VanDerWaalsContact O-N 3.11Å; D201-K203 PolarHBondContact O-N 3.06Å
202	Q	87.1	Confident	88.1	Confident	72 Å²	72	85.1 Å²	85.1	34%	0.336	42%	0.417	S	S	.	.			trans	-86.5	109.5	-177.4	-162.7	-176.4	-89.6	0	0	111.1	Y194 Y199 K204	Y194-Q202 PolarHBondContact OH-NE2 3.18Å; Y199-Q202 WeakPolarHBondContact O-CB 3.32Å; Y199-Q202 PolarHBondContact O-N 3.48Å; Q202-K204 VanDerWaalsContact C-N 3.33Å; Q202-K204 VanDerWaalsContact CG-O 3.3Å; Q202-K204 WeakPolarHBondContact CG-O 3.47Å; Q202-K204 PolarHBondContact NE2-O 3.29Å; Q202-K204 PolarHBondContact O-N 3.24Å
203	K	84.9	Confident	88.5	Confident	203 Å²	203	85.2 Å²	85.2	88%	0.883	41%	0.413	S	S	*	.			trans	-79.2	-12.6	-174.1	-62.5	-176.8	-178	176.2	0	115	D201	D201-K203 PolarHBondContact O-N 3.06Å
204	K	91	Very high	88.9	Confident	172 Å²	172	87.8 Å²	87.8	75%	0.748	42%	0.423	S	S	*	.	S	Bend	trans	-140	145.6	-175.7	-67.5	-172.3	177.9	-176.3	0	109.7	Q202	Q202-K204 VanDerWaalsContact C-N 3.33Å; Q202-K204 VanDerWaalsContact CG-O 3.3Å; Q202-K204 WeakPolarHBondContact CG-O 3.47Å; Q202-K204 PolarHBondContact NE2-O 3.29Å; Q202-K204 PolarHBondContact O-N 3.24Å
205	E	89.9	Confident	89	Confident	85 Å²	85	90.9 Å²	90.9	40%	0.397	44%	0.439	S	S	.	.			trans	-59.2	134.3	170.3	-171.4	176.7	80.5	0	0	109.2	Y194 V209 R213	Y194-E205 HydrophobicContact CD1-CG 4.18Å; Y194-E205 HydrophobicContact CE1-CB 4.32Å; Y194-E205 HydrophobicContact CE1-CG 3.77Å; E205-V209 HydrophobicContact CG-CB 3.63Å; E205-V209 HydrophobicContact CG-CG1 3.75Å; E205-V209 HydrophobicContact CG-CG2 3.91Å; E205-V209 WeakPolarHBondContact OE2-CG1 3.5Å; E205-R213 IonicContact OE1-NE 2.61Å; E205-R213 IonicContact OE1-NH2 3.96Å; E205-R213 IonicContact OE2-CZ 2.85Å; E205-R213 IonicContact OE2-NH2 3.61Å; E205-R213 PolarHBondContact OE2-NH2 2.63Å
206	P	89.6	Confident	89.2	Confident	22 Å²	22	86.4 Å²	86.4	14%	0.143	42%	0.422	C	S	.	.			trans	-63.6	150.5	178.2	-20.3	34.3	0	0	0	111.7	Y194 W208 V209	Y194-P206 HydrophobicContact CD2-CG 4.36Å; Y194-P206 HydrophobicContact CE2-CG 4.05Å; P206-W208 HydrophobicContact CB-CD2 4.41Å; P206-W208 HydrophobicContact CB-CG 4.02Å; P206-W208 VanDerWaalsContact CB-NE1 3.25Å; P206-W208 PolarHBondContact O-N 2.71Å; P206-V209 HydrophobicContact CB-CG2 4.31Å; P206-V209 HydrophobicContact CG-CG2 4.2Å; P206-V209 PolarHBondContact O-N 3.35Å; P206-V209 VanDerWaalsContact O-N 3.11Å
207	E	88.7	Confident	89.5	Confident	184 Å²	184	88.3 Å²	88.3	86%	0.86	43%	0.425	S	S	*	.	H	α-helix	trans	-62.6	-27	179.5	-65.3	-172.4	168.7	0	0	113.1	V209 E210 A211	E207-V209 VanDerWaalsContact C-N 3.28Å; E207-V209 PolarHBondContact O-N 3.11Å; E207-E210 PolarHBondContact O-N 3.45Å; E207-A211 PolarHBondContact O-N 3.11Å
208	W	87.3	Confident	89.6	Confident	81 Å²	81	86.7 Å²	86.7	31%	0.307	42%	0.418	S	S	.	.	H	α-helix	trans	-66.1	-29.7	177.1	68.8	-108.7	0	0	0	112.5	H24 M193 Y194 P206 E210 A211 E212	H24-W208 AromaticContact NE2-NE1 3.75Å; M193-W208 HydrophobicContact CB-CH2 4.02Å; M193-W208 HydrophobicContact CB-CZ3 4.07Å; Y194-W208 HydrophobicContact CD2-CZ2 4.28Å; P206-W208 HydrophobicContact CB-CD2 4.41Å; P206-W208 HydrophobicContact CB-CG 4.02Å; P206-W208 VanDerWaalsContact CB-NE1 3.25Å; P206-W208 PolarHBondContact O-N 2.71Å; W208-E210 PolarHBondContact O-N 3.17Å; W208-A211 CarbonylContact O-C 3.49Å; W208-A211 WeakPolarHBondContact O-CA 3.47Å; W208-A211 WeakPolarHBondContact O-CB 3.46Å; W208-A211 PolarHBondContact O-N 2.66Å; W208-A211 VanDerWaalsContact O-N 3.11Å; W208-E212 HydrophobicContact CE3-CG 4.08Å; W208-E212 HydrophobicContact CZ3-CG 4.33Å; W208-E212 PolarHBondContact O-N 3.5Å
209	V	87.8	Confident	89.8	Confident	0 Å²	0	89.9 Å²	89.9	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-66	-42.7	178	179.3	0	0	0	0	110.2	I190 Y194 E205 P206 E207 A211 E212 R213	I190-V209 HydrophobicContact CD1-CG1 4.36Å; I190-V209 HydrophobicContact CG2-CG1 3.57Å; Y194-V209 HydrophobicContact CD1-CG1 4.38Å; Y194-V209 HydrophobicContact CD1-CG2 3.93Å; Y194-V209 HydrophobicContact CD2-CG2 4.26Å; Y194-V209 HydrophobicContact CG-CG2 3.73Å; E205-V209 HydrophobicContact CG-CB 3.63Å; E205-V209 HydrophobicContact CG-CG1 3.75Å; E205-V209 HydrophobicContact CG-CG2 3.91Å; E205-V209 WeakPolarHBondContact OE2-CG1 3.5Å; P206-V209 HydrophobicContact CB-CG2 4.31Å; P206-V209 HydrophobicContact CG-CG2 4.2Å; P206-V209 PolarHBondContact O-N 3.35Å; P206-V209 VanDerWaalsContact O-N 3.11Å; E207-V209 VanDerWaalsContact C-N 3.28Å; E207-V209 PolarHBondContact O-N 3.11Å; V209-A211 VanDerWaalsContact C-N 3.26Å; V209-A211 PolarHBondContact O-N 3.44Å; V209-E212 PolarHBondContact O-N 3.06Å; V209-R213 WeakPolarHBondContact O-CG 3.37Å; V209-R213 PolarHBondContact O-N 3.16Å
210	E	90.5	Very high	90	Very high	87 Å²	87	88.6 Å²	88.6	41%	0.407	42%	0.419	S	S	.	.	H	α-helix	trans	-64.8	-31.4	173.5	177.4	59.9	-161.5	0	0	112	E207 W208 K214	E207-E210 PolarHBondContact O-N 3.45Å; W208-E210 PolarHBondContact O-N 3.17Å; E210-K214 WeakPolarHBondContact O-CG 3.42Å; E210-K214 PolarHBondContact O-N 2.86Å; E210-K214 WeakPolarHBondContact OE1-CE 3.46Å; E210-K214 IonicContact OE1-NZ 2.91Å
211	A	87.6	Confident	90.4	Very high	45 Å²	45	83.6 Å²	83.6	37%	0.372	39%	0.386	S	S	.	.	H	α-helix	trans	-66.5	-43.8	171.5	0	0	0	0	0	111.4	E207 W208 V209 R213 K214 M215	E207-A211 PolarHBondContact O-N 3.11Å; W208-A211 CarbonylContact O-C 3.49Å; W208-A211 WeakPolarHBondContact O-CA 3.47Å; W208-A211 WeakPolarHBondContact O-CB 3.46Å; W208-A211 PolarHBondContact O-N 2.66Å; W208-A211 VanDerWaalsContact O-N 3.11Å; V209-A211 VanDerWaalsContact C-N 3.26Å; V209-A211 PolarHBondContact O-N 3.44Å; A211-R213 PolarHBondContact O-N 2.68Å; A211-K214 WeakPolarHBondContact O-CB 3.07Å; A211-K214 PolarHBondContact O-N 3.25Å; A211-K214 VanDerWaalsContact O-N 3.12Å; A211-M215 WeakPolarHBondContact O-CG 3.28Å; A211-M215 PolarHBondContact O-N 2.81Å
212	E	88.1	Confident	90.6	Very high	14 Å²	14	82.3 Å²	82.3	7%	0.065	37%	0.373	C	S	.	.	H	α-helix	trans	-63.6	-37.9	176.5	-74.7	-51.7	128.2	0	0	112.5	Y189 I190 M193 W208 V209 K214 M215 F216 R220	Y189-E212 HydrophobicContact CE1-CB 4.4Å; Y189-E212 PolarHBondContact OH-OE2 3.37Å; Y189-E212 VanDerWaalsContact OH-OE2 3.13Å; I190-E212 HydrophobicContact CD1-CB 3.78Å; M193-E212 HydrophobicContact SD-CG 4.16Å; W208-E212 HydrophobicContact CE3-CG 4.08Å; W208-E212 HydrophobicContact CZ3-CG 4.33Å; W208-E212 PolarHBondContact O-N 3.5Å; V209-E212 PolarHBondContact O-N 3.06Å; E212-K214 VanDerWaalsContact C-N 3.29Å; E212-K214 PolarHBondContact O-N 2.86Å; E212-M215 PolarHBondContact O-N 2.77Å; E212-F216 WeakPolarHBondContact O-CB 3.42Å; E212-F216 PolarHBondContact O-N 3.18Å; E212-R220 IonicContact OE2-CZ 2.63Å; E212-R220 VanDerWaalsContact OE2-CZ 3.25Å; E212-R220 IonicContact OE2-NH1 3.95Å; E212-R220 PolarHBondContact OE2-NH1 3.46Å; E212-R220 IonicContact OE2-NH2 3.74Å; E212-R220 PolarHBondContact OE2-NH2 2.87Å
213	R	94	Very high	91	Very high	60 Å²	60	83.2 Å²	83.2	23%	0.226	38%	0.381	C	S	.	.	H	α-helix	trans	-58.9	-40.3	172.2	-67.9	-176.8	-165.8	-67.5	-1.5	112.1	L186 I190 E205 V209 A211 Q217	L186-R213 HydrophobicContact CD1-CB 4.35Å; L186-R213 HydrophobicContact CD1-CG 4.18Å; I190-R213 HydrophobicContact CD1-CG 3.98Å; I190-R213 HydrophobicContact CG1-CG 3.91Å; E205-R213 IonicContact OE1-NE 2.61Å; E205-R213 IonicContact OE1-NH2 3.96Å; E205-R213 IonicContact OE2-CZ 2.85Å; E205-R213 IonicContact OE2-NH2 3.61Å; E205-R213 PolarHBondContact OE2-NH2 2.63Å; V209-R213 WeakPolarHBondContact O-CG 3.37Å; V209-R213 PolarHBondContact O-N 3.16Å; A211-R213 PolarHBondContact O-N 2.68Å; R213-Q217 WeakPolarHBondContact O-CG 3.36Å; R213-Q217 PolarHBondContact O-N 2.65Å
214	K	93.6	Very high	91.6	Very high	101 Å²	101	78.9 Å²	78.9	44%	0.439	36%	0.362	S	S	.	.	H	α-helix	trans	-69.3	-42.4	175.1	-69.7	170.5	-171.9	162.5	0	111.7	E210 A211 E212 F216 Q217 Q218	E210-K214 WeakPolarHBondContact O-CG 3.42Å; E210-K214 PolarHBondContact O-N 2.86Å; E210-K214 WeakPolarHBondContact OE1-CE 3.46Å; E210-K214 IonicContact OE1-NZ 2.91Å; A211-K214 WeakPolarHBondContact O-CB 3.07Å; A211-K214 PolarHBondContact O-N 3.25Å; A211-K214 VanDerWaalsContact O-N 3.12Å; E212-K214 VanDerWaalsContact C-N 3.29Å; E212-K214 PolarHBondContact O-N 2.86Å; K214-F216 VanDerWaalsContact C-N 3.32Å; K214-F216 PolarHBondContact O-N 3.18Å; K214-Q217 PolarHBondContact O-N 3.41Å; K214-Q218 VanDerWaalsContact O-CB 3.28Å; K214-Q218 WeakPolarHBondContact O-CB 3.2Å; K214-Q218 VanDerWaalsContact O-CG 3.23Å; K214-Q218 WeakPolarHBondContact O-CG 3.48Å; K214-Q218 PolarHBondContact O-N 3.1Å
215	M	89.3	Confident	91.9	Very high	73 Å²	73	75 Å²	75	36%	0.36	35%	0.349	S	S	.	.	H	α-helix	trans	-62.4	-40.6	178.4	-70.7	-58.7	-67	0	0	111.6	A211 E212 Q218 Y219 R220	A211-M215 WeakPolarHBondContact O-CG 3.28Å; A211-M215 PolarHBondContact O-N 2.81Å; E212-M215 PolarHBondContact O-N 2.77Å; M215-Q218 PolarHBondContact O-N 2.93Å; M215-Y219 HydrophobicContact CE-CD2 3.39Å; M215-Y219 HydrophobicContact CE-CE2 3.74Å; M215-Y219 HydrophobicContact CE-CG 4.27Å; M215-Y219 PolarHBondContact O-N 3.15Å; M215-Y219 HydrophobicContact SD-CD2 3.64Å; M215-Y219 HydrophobicContact SD-CE2 3.62Å; M215-R220 PolarHBondContact O-N 2.85Å
216	F	92.3	Very high	92.2	Very high	1 Å²	1	72.5 Å²	72.5	0%	0.004	35%	0.346	C	S	.	.	I	π-helix	trans	-53.6	-58.7	171.6	-179	-79.7	0	0	0	110.8	L186 Y189 E212 K214 Q218 R220 D221 L228	L186-F216 HydrophobicContact CB-CD1 4.46Å; L186-F216 HydrophobicContact CB-CE1 4.2Å; L186-F216 HydrophobicContact CB-CZ 4.32Å; L186-F216 HydrophobicContact CD1-CB 3.84Å; L186-F216 HydrophobicContact CD1-CD1 3.77Å; L186-F216 HydrophobicContact CD1-CD2 4.05Å; L186-F216 HydrophobicContact CD1-CE1 4.33Å; L186-F216 HydrophobicContact CD1-CG 3.62Å; Y189-F216 HydrophobicContact CD1-CB 4.26Å; Y189-F216 AromaticContact CD1-CD2 3.53Å; Y189-F216 HydrophobicContact CD1-CD2 3.53Å; Y189-F216 HydrophobicContact CD1-CE2 4.28Å; Y189-F216 HydrophobicContact CD1-CG 4.29Å; Y189-F216 HydrophobicContact CD2-CD2 4.13Å; Y189-F216 HydrophobicContact CD2-CE2 4.44Å; Y189-F216 HydrophobicContact CE1-CB 4.22Å; Y189-F216 HydrophobicContact CE1-CD2 4.08Å; Y189-F216 AromaticContact CG-CD2 3.59Å; Y189-F216 HydrophobicContact CG-CD2 3.59Å; Y189-F216 AromaticContact CG-CE2 3.93Å; Y189-F216 HydrophobicContact CG-CE2 3.93Å; E212-F216 WeakPolarHBondContact O-CB 3.42Å; E212-F216 PolarHBondContact O-N 3.18Å; K214-F216 VanDerWaalsContact C-N 3.32Å; K214-F216 PolarHBondContact O-N 3.18Å; F216-Q218 VanDerWaalsContact C-N 3.26Å; F216-Q218 PolarHBondContact O-N 3.48Å; F216-R220 PolarHBondContact O-N 3.24Å; F216-R220 VanDerWaalsContact O-N 3.11Å; F216-D221 HydrophobicContact CD1-CB 3.99Å; F216-D221 HydrophobicContact CE1-CB 3.66Å; F216-D221 HydrophobicContact CZ-CB 4.26Å; F216-D221 PolarHBondContact O-N 3.46Å; F216-L228 HydrophobicContact CD2-CD1 4.27Å; F216-L228 HydrophobicContact CD2-CD2 4.29Å; F216-L228 HydrophobicContact CD2-CG 4.3Å; F216-L228 HydrophobicContact CE2-CD1 3.8Å; F216-L228 HydrophobicContact CE2-CD2 3.75Å; F216-L228 HydrophobicContact CE2-CG 3.48Å; F216-L228 VanDerWaalsContact CE2-CG 3.48Å; F216-L228 HydrophobicContact CZ-CD2 3.95Å; F216-L228 HydrophobicContact CZ-CG 3.9Å
217	Q	94.8	Very high	92.6	Very high	108 Å²	108	74.1 Å²	74.1	51%	0.505	35%	0.351	S	S	.	.	I	π-helix	trans	-66.1	-26.1	-176.5	-70.4	176.7	1.5	0	0	113.5	R213 K214 K224	R213-Q217 WeakPolarHBondContact O-CG 3.36Å; R213-Q217 PolarHBondContact O-N 2.65Å; K214-Q217 PolarHBondContact O-N 3.41Å; Q217-K224 WeakPolarHBondContact O-CD 3.35Å; Q217-K224 WeakPolarHBondContact O-CE 3.28Å; Q217-K224 PolarHBondContact O-NZ 2.67Å
218	Q	92.5	Very high	92.9	Very high	108 Å²	108	65.3 Å²	65.3	51%	0.505	31%	0.31	S	S	.	.	I	π-helix	trans	-89.5	-41.9	-177.2	-72.9	178.2	5.6	0	0	112.2	K214 M215 F216 K224	K214-Q218 VanDerWaalsContact O-CB 3.28Å; K214-Q218 WeakPolarHBondContact O-CB 3.2Å; K214-Q218 VanDerWaalsContact O-CG 3.23Å; K214-Q218 WeakPolarHBondContact O-CG 3.48Å; K214-Q218 PolarHBondContact O-N 3.1Å; M215-Q218 PolarHBondContact O-N 2.93Å; F216-Q218 VanDerWaalsContact C-N 3.26Å; F216-Q218 PolarHBondContact O-N 3.48Å; Q218-K224 VanDerWaalsContact C-NZ 3.31Å; Q218-K224 PolarHBondContact O-NZ 2.69Å
219	Y	90.7	Very high	93.4	Very high	148 Å²	148	63.2 Å²	63.2	58%	0.58	31%	0.305	S	S	*	.	I	π-helix	trans	-125.9	-31.4	-164.6	-58	-74.4	0	0	0	115.2	M215	M215-Y219 HydrophobicContact CE-CD2 3.39Å; M215-Y219 HydrophobicContact CE-CE2 3.74Å; M215-Y219 HydrophobicContact CE-CG 4.27Å; M215-Y219 PolarHBondContact O-N 3.15Å; M215-Y219 HydrophobicContact SD-CD2 3.64Å; M215-Y219 HydrophobicContact SD-CE2 3.62Å
220	R	91.7	Very high	93.7	Very high	29 Å²	29	65.5 Å²	65.5	11%	0.109	32%	0.323	C	S	.	.	I	π-helix	trans	-86.9	-53.3	-174.4	-58.6	-176	171.2	99.6	-3.5	111.9	Y189 E212 M215 F216 K222 L228 W236	Y189-R220 PolarHBondContact OH-NE 3.22Å; Y189-R220 VanDerWaalsContact OH-NE 3.15Å; Y189-R220 PolarHBondContact OH-NH1 3.09Å; Y189-R220 PolarHBondContact OH-NH2 3.31Å; Y189-R220 VanDerWaalsContact OH-NH2 3.14Å; E212-R220 IonicContact OE2-CZ 2.63Å; E212-R220 VanDerWaalsContact OE2-CZ 3.25Å; E212-R220 IonicContact OE2-NH1 3.95Å; E212-R220 PolarHBondContact OE2-NH1 3.46Å; E212-R220 IonicContact OE2-NH2 3.74Å; E212-R220 PolarHBondContact OE2-NH2 2.87Å; M215-R220 PolarHBondContact O-N 2.85Å; F216-R220 PolarHBondContact O-N 3.24Å; F216-R220 VanDerWaalsContact O-N 3.11Å; R220-K222 PolarHBondContact O-N 2.92Å; R220-K222 VanDerWaalsContact O-N 3.11Å; R220-L228 VanDerWaalsContact C-CD2 3.44Å; R220-L228 HydrophobicContact CB-CD1 4.46Å; R220-L228 HydrophobicContact CB-CD2 3.74Å; R220-W236 VanDerWaalsContact NE-CD1 3.25Å
221	D	96.2	Very high	93.8	Very high	6 Å²	6	67.3 Å²	67.3	3%	0.032	34%	0.336	C	S	.	.			trans	-74.5	95.9	170.9	172.2	4.9	0	0	0	107.4	F216 K224 D225 G226 L228	F216-D221 HydrophobicContact CD1-CB 3.99Å; F216-D221 HydrophobicContact CE1-CB 3.66Å; F216-D221 HydrophobicContact CZ-CB 4.26Å; F216-D221 PolarHBondContact O-N 3.46Å; D221-K224 WeakPolarHBondContact O-CD 2.92Å; D221-K224 WeakPolarHBondContact O-CE 3.21Å; D221-K224 PolarHBondContact O-NZ 3.24Å; D221-K224 WeakPolarHBondContact OD1-CA 3.46Å; D221-K224 PolarHBondContact OD1-N 3.41Å; D221-K224 WeakPolarHBondContact OD2-CA 3.32Å; D221-D225 PolarHBondContact OD1-N 2.83Å; D221-G226 VanDerWaalsContact OD2-CA 3.26Å; D221-G226 WeakPolarHBondContact OD2-CA 3.48Å; D221-G226 PolarHBondContact OD2-N 2.65Å; D221-L228 HydrophobicContact CB-CD2 4.12Å
222	K	95.1	Very high	94.2	Very high	130 Å²	130	65.6 Å²	65.6	57%	0.565	32%	0.32	S	S	*	.	S	Bend	trans	-80.5	-38.2	-172.5	-70	177.6	-177.2	170.1	0	110.6	R220 E232 A235	R220-K222 PolarHBondContact O-N 2.92Å; R220-K222 VanDerWaalsContact O-N 3.11Å; K222-E232 WeakPolarHBondContact CA-OE1 3.39Å; K222-E232 HydrophobicContact CB-CG 4.33Å; K222-E232 WeakPolarHBondContact CB-OE1 3.12Å; K222-E232 HydrophobicContact CD-CG 4.4Å; K222-E232 HydrophobicContact CG-CG 4.36Å; K222-E232 PolarHBondContact N-OE1 3.38Å; K222-A235 VanDerWaalsContact NZ-CB 3.31Å
223	D	96.4	Very high	94.4	Very high	91 Å²	91	65 Å²	65	49%	0.487	32%	0.317	S	S	.	.	S	Bend	trans	-86.1	-8.4	-179.4	72	17.1	0	0	0	114.4	D225 E232	D223-D225 WeakPolarHBondContact OD1-CB 3.43Å; D223-D225 VanDerWaalsContact OD1-CG 3.3Å; D223-D225 PolarHBondContact OD1-N 2.04Å; D223-D225 VanDerWaalsContact OD1-N 3.09Å; D223-E232 PolarHBondContact N-OE1 2.91Å
224	K	96.5	Very high	94.3	Very high	112 Å²	112	64.6 Å²	64.6	49%	0.487	32%	0.318	S	S	.	.			trans	68.2	31.2	176	-49	-60	174.8	-158.4	0	113.3	Q217 Q218 D221 G226	Q217-K224 WeakPolarHBondContact O-CD 3.35Å; Q217-K224 WeakPolarHBondContact O-CE 3.28Å; Q217-K224 PolarHBondContact O-NZ 2.67Å; Q218-K224 VanDerWaalsContact C-NZ 3.31Å; Q218-K224 PolarHBondContact O-NZ 2.69Å; D221-K224 WeakPolarHBondContact O-CD 2.92Å; D221-K224 WeakPolarHBondContact O-CE 3.21Å; D221-K224 PolarHBondContact O-NZ 3.24Å; D221-K224 WeakPolarHBondContact OD1-CA 3.46Å; D221-K224 PolarHBondContact OD1-N 3.41Å; D221-K224 WeakPolarHBondContact OD2-CA 3.32Å; K224-G226 VanDerWaalsContact C-N 3.34Å
225	D	96.7	Very high	94.1	Very high	89 Å²	89	61.4 Å²	61.4	48%	0.476	31%	0.31	S	S	.	.	S	Bend	trans	-85.4	-7.2	177.4	85.4	-3.7	0	0	0	113.9	D221 D223 K227	D221-D225 PolarHBondContact OD1-N 2.83Å; D223-D225 WeakPolarHBondContact OD1-CB 3.43Å; D223-D225 VanDerWaalsContact OD1-CG 3.3Å; D223-D225 PolarHBondContact OD1-N 2.04Å; D223-D225 VanDerWaalsContact OD1-N 3.09Å; D225-K227 WeakPolarHBondContact OD1-CA 3.39Å; D225-K227 WeakPolarHBondContact OD1-CB 3.12Å; D225-K227 PolarHBondContact OD1-N 2.97Å
226	G	96.6	Very high	94	Very high	33 Å²	33	58.8 Å²	58.8	34%	0.34	30%	0.296	S	S	.	.	S	Bend	trans	90.2	5	179.3	0	0	0	0	0	114.6	D221 K224	D221-G226 VanDerWaalsContact OD2-CA 3.26Å; D221-G226 WeakPolarHBondContact OD2-CA 3.48Å; D221-G226 PolarHBondContact OD2-N 2.65Å; K224-G226 VanDerWaalsContact C-N 3.34Å
227	K	97.3	Very high	93.7	Very high	56 Å²	56	59.2 Å²	59.2	24%	0.243	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	164.8	-179.9	-62.8	175.3	170.6	-86.1	0	109.8	D181 M183 V184 D185 D225	D181-K227 IonicContact OD2-NZ 3.98Å; D181-K227 PolarHBondContact OD2-NZ 3.02Å; M183-K227 HydrophobicContact CB-CB 4.12Å; M183-K227 HydrophobicContact CB-CD 4.16Å; V184-K227 CarbonylContact O-C 3.49Å; V184-K227 WeakPolarHBondContact O-CA 3.3Å; D185-K227 HydrophobicContact CB-CG 3.94Å; D185-K227 IonicContact OD2-NZ 2.75Å; D225-K227 WeakPolarHBondContact OD1-CA 3.39Å; D225-K227 WeakPolarHBondContact OD1-CB 3.12Å; D225-K227 PolarHBondContact OD1-N 2.97Å
228	L	96.8	Very high	93.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	119.6	168.5	-54.5	179.1	0	0	0	108.5	V184 Y189 F216 R220 D221 E232 W236	V184-L228 HydrophobicContact CB-CB 4.32Å; V184-L228 PolarHBondContact N-O 2.66Å; V184-L228 PolarHBondContact O-N 3.26Å; Y189-L228 HydrophobicContact CD2-CD1 4.2Å; F216-L228 HydrophobicContact CD2-CD1 4.27Å; F216-L228 HydrophobicContact CD2-CD2 4.29Å; F216-L228 HydrophobicContact CD2-CG 4.3Å; F216-L228 HydrophobicContact CE2-CD1 3.8Å; F216-L228 HydrophobicContact CE2-CD2 3.75Å; F216-L228 HydrophobicContact CE2-CG 3.48Å; F216-L228 VanDerWaalsContact CE2-CG 3.48Å; F216-L228 HydrophobicContact CZ-CD2 3.95Å; F216-L228 HydrophobicContact CZ-CG 3.9Å; R220-L228 VanDerWaalsContact C-CD2 3.44Å; R220-L228 HydrophobicContact CB-CD1 4.46Å; R220-L228 HydrophobicContact CB-CD2 3.74Å; D221-L228 HydrophobicContact CB-CD2 4.12Å; L228-E232 WeakPolarHBondContact CA-OE2 3.03Å; L228-E232 HydrophobicContact CB-CB 4.28Å; L228-E232 HydrophobicContact CD2-CB 4.16Å; L228-W236 HydrophobicContact CD1-CE3 4.36Å
229	N	96	Very high	92.7	Very high	36 Å²	36	52.6 Å²	52.6	19%	0.193	27%	0.272	C	S	.	.			trans	-78.7	173.2	165.7	65.6	52.7	0	0	0	111.6	M183 D231 E232 L233	M183-N229 HydrophobicContact CE-CB 3.87Å; M183-N229 WeakPolarHBondContact SD-CA 3.46Å; M183-N229 HydrophobicContact SD-CB 3.65Å; N229-D231 VanDerWaalsContact C-N 3.26Å; N229-D231 PolarHBondContact O-N 3.3Å; N229-D231 PolarHBondContact OD1-N 3.32Å; N229-E232 VanDerWaalsContact CG-OE2 3.28Å; N229-E232 PolarHBondContact N-OE2 3.01Å; N229-E232 PolarHBondContact ND2-OE2 3.48Å; N229-E232 PolarHBondContact O-N 2.69Å; N229-E232 PolarHBondContact OD1-N 3.43Å; N229-L233 WeakPolarHBondContact O-CB 3.39Å; N229-L233 PolarHBondContact O-N 2.94Å
230	A	94	Very high	92.1	Very high	48 Å²	48	51.9 Å²	51.9	40%	0.397	28%	0.278	S	S	.	.	H	α-helix	trans	-57.3	-35.8	-177.3	0	0	0	0	0	113.6	V169 K234	V169-A230 HydrophobicContact CG1-CB 4.18Å; V169-A230 WeakPolarHBondContact CG1-O 3.36Å; A230-K234 WeakPolarHBondContact O-CB 3.38Å; A230-K234 PolarHBondContact O-N 2.79Å
231	D	94.2	Very high	91.4	Very high	126 Å²	126	58.4 Å²	58.4	67%	0.674	32%	0.316	S	S	*	.	H	α-helix	trans	-73.3	-37.2	179.4	-71.2	-28	0	0	0	111.8	N229 A235	N229-D231 VanDerWaalsContact C-N 3.26Å; N229-D231 PolarHBondContact O-N 3.3Å; N229-D231 PolarHBondContact OD1-N 3.32Å; D231-A235 WeakPolarHBondContact O-CB 3.44Å; D231-A235 PolarHBondContact O-N 3.42Å
232	E	95.1	Very high	90.4	Very high	8 Å²	8	61.4 Å²	61.4	4%	0.037	33%	0.328	C	S	.	.	H	α-helix	trans	-69.4	-42.9	174.6	-70.2	169.5	147.5	0	0	111.7	K222 D223 L228 N229 A235 W236	K222-E232 WeakPolarHBondContact CA-OE1 3.39Å; K222-E232 HydrophobicContact CB-CG 4.33Å; K222-E232 WeakPolarHBondContact CB-OE1 3.12Å; K222-E232 HydrophobicContact CD-CG 4.4Å; K222-E232 HydrophobicContact CG-CG 4.36Å; K222-E232 PolarHBondContact N-OE1 3.38Å; D223-E232 PolarHBondContact N-OE1 2.91Å; L228-E232 WeakPolarHBondContact CA-OE2 3.03Å; L228-E232 HydrophobicContact CB-CB 4.28Å; L228-E232 HydrophobicContact CD2-CB 4.16Å; N229-E232 VanDerWaalsContact CG-OE2 3.28Å; N229-E232 PolarHBondContact N-OE2 3.01Å; N229-E232 PolarHBondContact ND2-OE2 3.48Å; N229-E232 PolarHBondContact O-N 2.69Å; N229-E232 PolarHBondContact OD1-N 3.43Å; E232-A235 PolarHBondContact O-N 2.9Å; E232-W236 WeakPolarHBondContact O-CB 3.37Å; E232-W236 PolarHBondContact O-N 3.33Å
233	L	92.8	Very high	90	Very high	1 Å²	1	57 Å²	57	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-60.4	-45.7	173.1	-174.4	64.9	0	0	0	110.5	V169 T172 L173 M176 V184 N229 A235 W236 L237	V169-L233 HydrophobicContact CG1-CB 4.42Å; V169-L233 HydrophobicContact CG1-CD2 4.02Å; V169-L233 HydrophobicContact CG1-CG 4.36Å; T172-L233 HydrophobicContact CG2-CD1 4.22Å; T172-L233 HydrophobicContact CG2-CD2 4.43Å; L173-L233 HydrophobicContact CB-CD2 3.85Å; L173-L233 HydrophobicContact CD1-CD2 4.33Å; M176-L233 HydrophobicContact SD-CD1 4.24Å; V184-L233 HydrophobicContact CG2-CD2 4.48Å; N229-L233 WeakPolarHBondContact O-CB 3.39Å; N229-L233 PolarHBondContact O-N 2.94Å; L233-A235 PolarHBondContact O-N 3.27Å; L233-W236 HydrophobicContact CD1-CE3 3.43Å; L233-W236 VanDerWaalsContact CD1-CE3 3.43Å; L233-W236 HydrophobicContact CD1-CZ3 3.57Å; L233-W236 PolarHBondContact O-N 3.3Å; L233-W236 VanDerWaalsContact O-N 3.17Å; L233-L237 HydrophobicContact CD1-CD1 4.1Å; L233-L237 HydrophobicContact CD1-CG 4.28Å; L233-L237 HydrophobicContact CD2-CD1 4.49Å; L233-L237 HydrophobicContact CG-CD1 3.84Å; L233-L237 HydrophobicContact CG-CG 4.38Å; L233-L237 VanDerWaalsContact O-CG 3.28Å; L233-L237 WeakPolarHBondContact O-CG 3.32Å; L233-L237 PolarHBondContact O-N 2.97Å
234	K	91.4	Very high	89.3	Confident	53 Å²	53	55.8 Å²	55.8	23%	0.23	30%	0.302	C	S	.	.	H	α-helix	trans	-57.7	-48	174.5	-173	170.9	-178.9	167.4	0	112.3	D166 V169 A230 W236 L237 M238	D166-K234 IonicContact OD1-NZ 3.25Å; D166-K234 PolarHBondContact OD1-NZ 3.45Å; V169-K234 HydrophobicContact CG2-CB 3.56Å; V169-K234 HydrophobicContact CG2-CD 4.27Å; V169-K234 HydrophobicContact CG2-CG 3.76Å; A230-K234 WeakPolarHBondContact O-CB 3.38Å; A230-K234 PolarHBondContact O-N 2.79Å; K234-W236 PolarHBondContact O-N 2.82Å; K234-L237 PolarHBondContact O-N 3.34Å; K234-M238 HydrophobicContact CG-CE 4.46Å; K234-M238 CarbonylContact O-C 3.5Å; K234-M238 PolarHBondContact O-N 3.4Å
235	A	89.7	Confident	88.9	Confident	34 Å²	34	50.4 Å²	50.4	28%	0.281	28%	0.279	S	S	.	.	H	α-helix	trans	-66.6	-26.1	179.3	0	0	0	0	0	113	K222 D231 E232 L233 P239	K222-A235 VanDerWaalsContact NZ-CB 3.31Å; D231-A235 WeakPolarHBondContact O-CB 3.44Å; D231-A235 PolarHBondContact O-N 3.42Å; E232-A235 PolarHBondContact O-N 2.9Å; L233-A235 PolarHBondContact O-N 3.27Å; A235-P239 WeakPolarHBondContact O-CA 3.33Å; A235-P239 WeakPolarHBondContact O-CB 3.41Å; A235-P239 WeakPolarHBondContact O-CG 3.12Å
236	W	87.9	Confident	88.6	Confident	18 Å²	18	48.9 Å²	48.9	7%	0.068	27%	0.269	C	S	.	.	H	α-helix	trans	-77.6	-45.4	173.6	169.8	43.7	0	0	0	112.1	L13 M176 Y189 M193 R220 L228 E232 L233 K234	L13-W236 HydrophobicContact CD1-CZ2 4.36Å; M176-W236 HydrophobicContact CE-CH2 4.06Å; M176-W236 HydrophobicContact CE-CZ3 3.91Å; M176-W236 HydrophobicContact SD-CH2 4.41Å; M176-W236 HydrophobicContact SD-CZ3 3.97Å; Y189-W236 HydrophobicContact CD2-CH2 4.19Å; Y189-W236 HydrophobicContact CD2-CZ3 4.26Å; Y189-W236 HydrophobicContact CE2-CD2 4.27Å; Y189-W236 AromaticContact CE2-CE2 3.91Å; Y189-W236 HydrophobicContact CE2-CE3 4.28Å; Y189-W236 AromaticContact CE2-CH2 3.64Å; Y189-W236 HydrophobicContact CE2-CH2 3.64Å; Y189-W236 AromaticContact CE2-CZ2 3.61Å; Y189-W236 HydrophobicContact CE2-CZ2 3.61Å; Y189-W236 AromaticContact CE2-CZ3 3.98Å; Y189-W236 HydrophobicContact CE2-CZ3 3.98Å; M193-W236 HydrophobicContact CE-CZ2 3.88Å; R220-W236 VanDerWaalsContact NE-CD1 3.25Å; L228-W236 HydrophobicContact CD1-CE3 4.36Å; E232-W236 WeakPolarHBondContact O-CB 3.37Å; E232-W236 PolarHBondContact O-N 3.33Å; L233-W236 HydrophobicContact CD1-CE3 3.43Å; L233-W236 VanDerWaalsContact CD1-CE3 3.43Å; L233-W236 HydrophobicContact CD1-CZ3 3.57Å; L233-W236 PolarHBondContact O-N 3.3Å; L233-W236 VanDerWaalsContact O-N 3.17Å; K234-W236 PolarHBondContact O-N 2.82Å
237	L	85.2	Confident	88.1	Confident	10 Å²	10	48.7 Å²	48.7	5%	0.052	27%	0.265	C	S	.	.	H	α-helix	trans	-72.6	-40.4	-177.7	-65	170.9	0	0	0	112.7	V9 V168 V169 T172 L233 K234	V9-L237 HydrophobicContact CG1-CB 4.24Å; V9-L237 HydrophobicContact CG1-CD2 3.66Å; V168-L237 HydrophobicContact CG1-CD1 4.48Å; V169-L237 HydrophobicContact CG2-CD1 4.48Å; T172-L237 HydrophobicContact CG2-CD1 3.81Å; T172-L237 HydrophobicContact CG2-CD2 4.04Å; L233-L237 HydrophobicContact CD1-CD1 4.1Å; L233-L237 HydrophobicContact CD1-CG 4.28Å; L233-L237 HydrophobicContact CD2-CD1 4.49Å; L233-L237 HydrophobicContact CG-CD1 3.84Å; L233-L237 HydrophobicContact CG-CG 4.38Å; L233-L237 VanDerWaalsContact O-CG 3.28Å; L233-L237 WeakPolarHBondContact O-CG 3.32Å; L233-L237 PolarHBondContact O-N 2.97Å; K234-L237 PolarHBondContact O-N 3.34Å
238	M	84.1	Confident	87.7	Confident	23 Å²	23	46.9 Å²	46.9	11%	0.113	26%	0.257	C	S	.	.	S	Bend	trans	-139.1	74.6	-175.6	-64.2	169.3	-69.1	0	0	109.7	K165 V168 V169 K234 D240	K165-M238 HydrophobicContact CB-CE 3.63Å; K165-M238 HydrophobicContact CB-SD 4.01Å; K165-M238 HydrophobicContact CD-CE 4.43Å; K165-M238 HydrophobicContact CD-SD 4.22Å; K165-M238 HydrophobicContact CG-CE 3.94Å; K165-M238 HydrophobicContact CG-SD 3.65Å; K165-M238 WeakPolarHBondContact O-CE 3.48Å; V168-M238 HydrophobicContact CB-CE 3.85Å; V168-M238 HydrophobicContact CB-SD 4.29Å; V168-M238 HydrophobicContact CG1-CE 4.12Å; V168-M238 HydrophobicContact CG1-SD 4.39Å; V168-M238 HydrophobicContact CG2-CE 4.41Å; V168-M238 HydrophobicContact CG2-SD 4.29Å; V169-M238 HydrophobicContact CG2-CE 4.05Å; K234-M238 HydrophobicContact CG-CE 4.46Å; K234-M238 CarbonylContact O-C 3.5Å; K234-M238 PolarHBondContact O-N 3.4Å; M238-D240 PolarHBondContact O-N 3.29Å
239	P	82.7	Confident	87.5	Confident	53 Å²	53	46.9 Å²	46.9	34%	0.344	26%	0.257	S	S	.	.			trans	-64.7	129.4	177.8	-7.3	19.6	0	0	0	110.2	A235 D241 F242	A235-P239 WeakPolarHBondContact O-CA 3.33Å; A235-P239 WeakPolarHBondContact O-CB 3.41Å; A235-P239 WeakPolarHBondContact O-CG 3.12Å; P239-D241 PolarHBondContact O-N 2.82Å; P239-D241 VanDerWaalsContact O-N 3.13Å; P239-F242 HydrophobicContact CB-CB 3.79Å; P239-F242 HydrophobicContact CG-CB 3.78Å; P239-F242 HydrophobicContact CG-CG 4.46Å; P239-F242 PolarHBondContact O-N 3.22Å
240	D	77.4	Confident	87.3	Confident	133 Å²	133	49.5 Å²	49.5	71%	0.711	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-29.7	-174.6	-67.9	-39.1	0	0	0	113.6	K165 M238	K165-D240 IonicContact NZ-OD1 2.66Å; M238-D240 PolarHBondContact O-N 3.29Å
241	D	76.1	Confident	87	Confident	167 Å²	167	49.7 Å²	49.7	89%	0.893	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	3.7	-178.2	-62.9	-40.8	0	0	0	113.4	P239	P239-D241 PolarHBondContact O-N 2.82Å; P239-D241 VanDerWaalsContact O-N 3.13Å
242	F	77.2	Confident	86.9	Confident	68 Å²	68	43.8 Å²	43.8	30%	0.298	23%	0.227	S	C	.	.			trans	-90.1	110.3	-177.3	-167.8	-97.6	0	0	0	112	I16 P239 H244 A247	I16-F242 HydrophobicContact CD1-CE1 3.48Å; I16-F242 VanDerWaalsContact CD1-CE1 3.48Å; I16-F242 HydrophobicContact CD1-CE2 3.86Å; I16-F242 HydrophobicContact CD1-CZ 3.09Å; I16-F242 HydrophobicContact CG1-CE1 4.45Å; I16-F242 HydrophobicContact CG1-CZ 3.81Å; P239-F242 HydrophobicContact CB-CB 3.79Å; P239-F242 HydrophobicContact CG-CB 3.78Å; P239-F242 HydrophobicContact CG-CG 4.46Å; P239-F242 PolarHBondContact O-N 3.22Å; F242-H244 AromaticContact CD1-CD2 3.75Å; F242-H244 AromaticContact CD1-CE1 3.68Å; F242-H244 AromaticContact CD1-CG 3.82Å; F242-H244 AromaticContact CD1-ND1 3.8Å; F242-H244 AromaticContact CD1-NE2 3.65Å; F242-H244 HydrophobicContact CE1-CB 4.23Å; F242-H244 AromaticContact CE1-CE1 3.61Å; F242-H244 AromaticContact CE1-CG 3.64Å; F242-H244 AromaticContact CE1-ND1 3.37Å; F242-H244 WeakPolarHBondContact CE1-ND1 3.49Å; F242-A247 HydrophobicContact CE1-CB 4.2Å; F242-A247 HydrophobicContact CE2-CB 4.04Å; F242-A247 HydrophobicContact CZ-CB 3.4Å; F242-A247 VanDerWaalsContact CZ-CB 3.4Å
243	D	85.7	Confident	86.9	Confident	39 Å²	39	44.1 Å²	44.1	21%	0.209	23%	0.229	C	C	.	.			trans	-95.2	95.9	175.2	-167.4	-26.8	0	0	0	109.7	K70 K74 A245 E246 A247	K70-D243 WeakPolarHBondContact CE-OD2 3.45Å; K70-D243 IonicContact NZ-OD2 2.98Å; K70-D243 PolarHBondContact NZ-OD2 3.43Å; K74-D243 WeakPolarHBondContact CE-OD1 3.44Å; K74-D243 VanDerWaalsContact CE-OD2 3.3Å; K74-D243 WeakPolarHBondContact CE-OD2 3.31Å; K74-D243 IonicContact NZ-OD1 3.98Å; K74-D243 PolarHBondContact NZ-OD1 3.08Å; K74-D243 IonicContact NZ-OD2 3.62Å; K74-D243 PolarHBondContact NZ-OD2 3.44Å; D243-A245 PolarHBondContact O-N 3.21Å; D243-A245 PolarHBondContact OD1-N 3.18Å; D243-E246 HydrophobicContact CB-CB 3.78Å; D243-E246 WeakPolarHBondContact O-CB 3.49Å; D243-E246 PolarHBondContact O-N 3.43Å; D243-E246 PolarHBondContact OD1-N 3.39Å; D243-A247 PolarHBondContact O-N 2.95Å
244	H	81	Confident	86.8	Confident	64 Å²	64	50.3 Å²	50.3	30%	0.296	26%	0.263	S	S	.	.	H	α-helix	trans	-52.5	-38.3	179.9	-73.1	-86.8	0	0	0	112.7	F242 E246 A247 E248	F242-H244 AromaticContact CD1-CD2 3.75Å; F242-H244 AromaticContact CD1-CE1 3.68Å; F242-H244 AromaticContact CD1-CG 3.82Å; F242-H244 AromaticContact CD1-ND1 3.8Å; F242-H244 AromaticContact CD1-NE2 3.65Å; F242-H244 HydrophobicContact CE1-CB 4.23Å; F242-H244 AromaticContact CE1-CE1 3.61Å; F242-H244 AromaticContact CE1-CG 3.64Å; F242-H244 AromaticContact CE1-ND1 3.37Å; F242-H244 WeakPolarHBondContact CE1-ND1 3.49Å; H244-E246 VanDerWaalsContact C-N 3.34Å; H244-A247 PolarHBondContact O-N 3.25Å; H244-E248 WeakPolarHBondContact O-CB 3.34Å; H244-E248 PolarHBondContact O-N 3.06Å
245	A	88.3	Confident	86.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-70	-32.9	179.7	0	0	0	0	0	112.4	K70 I73 K74 D243 A249	K70-A245 HydrophobicContact CG-CB 4.16Å; I73-A245 HydrophobicContact CB-CB 4.05Å; I73-A245 HydrophobicContact CG2-CB 3.7Å; K74-A245 HydrophobicContact CD-CB 4.3Å; K74-A245 HydrophobicContact CG-CB 3.43Å; K74-A245 VanDerWaalsContact CG-CB 3.43Å; D243-A245 PolarHBondContact O-N 3.21Å; D243-A245 PolarHBondContact OD1-N 3.18Å; A245-A249 VanDerWaalsContact O-CB 3.24Å; A245-A249 WeakPolarHBondContact O-CB 3.42Å; A245-A249 PolarHBondContact O-N 2.77Å
246	E	90.3	Very high	87.1	Confident	56 Å²	56	48.9 Å²	48.9	26%	0.262	26%	0.255	S	S	.	.	H	α-helix	trans	-69.6	-44.7	173.5	-172.5	177.7	145.7	0	0	111.7	K70 D243 H244 E248 A249 K250	K70-E246 HydrophobicContact CD-CB 3.88Å; K70-E246 HydrophobicContact CD-CG 4.22Å; K70-E246 HydrophobicContact CG-CB 4.47Å; K70-E246 IonicContact NZ-OE2 2.75Å; K70-E246 PolarHBondContact NZ-OE2 3.44Å; D243-E246 HydrophobicContact CB-CB 3.78Å; D243-E246 WeakPolarHBondContact O-CB 3.49Å; D243-E246 PolarHBondContact O-N 3.43Å; D243-E246 PolarHBondContact OD1-N 3.39Å; H244-E246 VanDerWaalsContact C-N 3.34Å; E246-E248 VanDerWaalsContact C-N 3.32Å; E246-E248 PolarHBondContact O-N 3.02Å; E246-A249 PolarHBondContact O-N 2.94Å; E246-K250 HydrophobicContact CG-CD 4.2Å; E246-K250 WeakPolarHBondContact O-CB 3.28Å; E246-K250 WeakPolarHBondContact O-CG 3.14Å; E246-K250 PolarHBondContact O-N 3.17Å; E246-K250 WeakPolarHBondContact OE1-CE 3.45Å; E246-K250 IonicContact OE1-NZ 3.7Å; E246-K250 PolarHBondContact OE1-NZ 2.97Å
247	A	87.7	Confident	87.5	Confident	30 Å²	30	49.1 Å²	49.1	25%	0.248	26%	0.257	C	S	.	.	H	α-helix	trans	-60.3	-44.1	178	0	0	0	0	0	111.5	F242 D243 H244 K250 H251	F242-A247 HydrophobicContact CE1-CB 4.2Å; F242-A247 HydrophobicContact CE2-CB 4.04Å; F242-A247 HydrophobicContact CZ-CB 3.4Å; F242-A247 VanDerWaalsContact CZ-CB 3.4Å; D243-A247 PolarHBondContact O-N 2.95Å; H244-A247 PolarHBondContact O-N 3.25Å; A247-K250 PolarHBondContact O-N 2.88Å; A247-H251 WeakPolarHBondContact O-CB 3.33Å; A247-H251 PolarHBondContact O-N 3.41Å
248	E	87.8	Confident	88.1	Confident	18 Å²	18	52.9 Å²	52.9	8%	0.084	28%	0.277	C	S	.	.	H	α-helix	trans	-66.1	-45.4	176.1	179.9	68.3	169.8	0	0	112	I73 H244 E246 K250 H251 L252 S279 Q280	I73-E248 HydrophobicContact CD1-CB 4.08Å; I73-E248 HydrophobicContact CD1-CG 3.73Å; H244-E248 WeakPolarHBondContact O-CB 3.34Å; H244-E248 PolarHBondContact O-N 3.06Å; E246-E248 VanDerWaalsContact C-N 3.32Å; E246-E248 PolarHBondContact O-N 3.02Å; E248-K250 VanDerWaalsContact C-N 3.32Å; E248-K250 PolarHBondContact O-N 2.66Å; E248-H251 WeakPolarHBondContact O-CB 3.4Å; E248-H251 PolarHBondContact O-N 2.81Å; E248-H251 VanDerWaalsContact O-N 3.14Å; E248-L252 HydrophobicContact CG-CD1 4.18Å; E248-L252 WeakPolarHBondContact O-CG 3.08Å; E248-L252 PolarHBondContact O-N 3.49Å; E248-S279 VanDerWaalsContact OE1-CB 3.3Å; E248-S279 WeakPolarHBondContact OE1-CB 3.45Å; E248-Q280 HydrophobicContact CG-CB 4.3Å; E248-Q280 HydrophobicContact CG-CG 4.38Å
249	A	92.5	Very high	88.7	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-57.5	-45.4	176.3	0	0	0	0	0	111.8	E66 L69 K70 I73 A245 E246 H251 L252 I253	E66-A249 HydrophobicContact CG-CB 4.22Å; L69-A249 HydrophobicContact CB-CB 3.8Å; K70-A249 HydrophobicContact CB-CB 4.11Å; I73-A249 HydrophobicContact CD1-CB 4.12Å; A245-A249 VanDerWaalsContact O-CB 3.24Å; A245-A249 WeakPolarHBondContact O-CB 3.42Å; A245-A249 PolarHBondContact O-N 2.77Å; E246-A249 PolarHBondContact O-N 2.94Å; A249-H251 PolarHBondContact O-N 3.38Å; A249-L252 PolarHBondContact O-N 2.96Å; A249-I253 WeakPolarHBondContact O-CG1 3.25Å; A249-I253 PolarHBondContact O-N 2.99Å
250	K	92	Very high	89.3	Confident	91 Å²	91	62.3 Å²	62.3	40%	0.396	32%	0.317	S	S	.	.	H	α-helix	trans	-63.3	-39.7	175.6	-74.8	176.9	180	174	0	112.5	E66 E246 A247 E248 N254	E66-K250 VanDerWaalsContact CD-CE 3.42Å; E66-K250 HydrophobicContact CG-CG 4.25Å; E66-K250 WeakPolarHBondContact OE1-CE 3.44Å; E66-K250 IonicContact OE1-NZ 3.44Å; E66-K250 WeakPolarHBondContact OE2-CE 3.41Å; E246-K250 HydrophobicContact CG-CD 4.2Å; E246-K250 WeakPolarHBondContact O-CB 3.28Å; E246-K250 WeakPolarHBondContact O-CG 3.14Å; E246-K250 PolarHBondContact O-N 3.17Å; E246-K250 WeakPolarHBondContact OE1-CE 3.45Å; E246-K250 IonicContact OE1-NZ 3.7Å; E246-K250 PolarHBondContact OE1-NZ 2.97Å; A247-K250 PolarHBondContact O-N 2.88Å; E248-K250 VanDerWaalsContact C-N 3.32Å; E248-K250 PolarHBondContact O-N 2.66Å; K250-N254 VanDerWaalsContact O-CB 3.28Å; K250-N254 WeakPolarHBondContact O-CB 3.05Å; K250-N254 PolarHBondContact O-N 2.87Å
251	H	88	Confident	90.2	Very high	52 Å²	52	58.9 Å²	58.9	24%	0.241	30%	0.299	C	S	.	.	H	α-helix	trans	-60.5	-49.7	175.5	175.8	62.6	0	0	0	110.9	A247 E248 A249 I253 N254 V255	A247-H251 WeakPolarHBondContact O-CB 3.33Å; A247-H251 PolarHBondContact O-N 3.41Å; E248-H251 WeakPolarHBondContact O-CB 3.4Å; E248-H251 PolarHBondContact O-N 2.81Å; E248-H251 VanDerWaalsContact O-N 3.14Å; A249-H251 PolarHBondContact O-N 3.38Å; H251-I253 PolarHBondContact O-N 3.47Å; H251-N254 PolarHBondContact O-N 2.91Å; H251-V255 VanDerWaalsContact CE1-CG2 3.49Å; H251-V255 WeakPolarHBondContact CE1-CG2 3.29Å; H251-V255 WeakPolarHBondContact O-CG2 3.46Å; H251-V255 PolarHBondContact O-N 2.79Å
252	L	91.8	Very high	91.1	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-60.1	-44.2	179.5	-68.4	171.9	0	0	0	112.4	I73 E248 A249 V255 A256 T275 F276 V281	I73-L252 HydrophobicContact CD1-CD1 4.18Å; E248-L252 HydrophobicContact CG-CD1 4.18Å; E248-L252 WeakPolarHBondContact O-CG 3.08Å; E248-L252 PolarHBondContact O-N 3.49Å; A249-L252 PolarHBondContact O-N 2.96Å; L252-V255 PolarHBondContact O-N 3.07Å; L252-A256 WeakPolarHBondContact O-CB 3.47Å; L252-A256 PolarHBondContact O-N 2.86Å; L252-T275 HydrophobicContact CD2-CG2 3.82Å; L252-F276 HydrophobicContact CB-CE1 4.34Å; L252-F276 HydrophobicContact CB-CZ 4.21Å; L252-F276 HydrophobicContact CD1-CE1 4.21Å; L252-F276 HydrophobicContact CD2-CE1 4.36Å; L252-F276 HydrophobicContact CD2-CZ 4.44Å; L252-V281 HydrophobicContact CD1-CG2 3.42Å; L252-V281 VanDerWaalsContact CD1-CG2 3.42Å
253	I	95.2	Very high	92	Very high	15 Å²	15	58 Å²	58	8%	0.077	29%	0.289	C	S	.	.	H	α-helix	trans	-61	-50.2	174.7	-69	171.5	0	0	0	110.1	E66 L69 A249 H251 V255 A256 D257 L264	E66-I253 HydrophobicContact CB-CD1 3.6Å; E66-I253 HydrophobicContact CG-CD1 4.15Å; L69-I253 HydrophobicContact CD1-CD1 4.13Å; L69-I253 HydrophobicContact CD1-CG1 3.81Å; A249-I253 WeakPolarHBondContact O-CG1 3.25Å; A249-I253 PolarHBondContact O-N 2.99Å; H251-I253 PolarHBondContact O-N 3.47Å; I253-V255 PolarHBondContact O-N 3.38Å; I253-V255 VanDerWaalsContact O-N 3.16Å; I253-A256 PolarHBondContact O-N 3.31Å; I253-D257 HydrophobicContact CG2-CB 4.01Å; I253-D257 WeakPolarHBondContact O-CB 3.42Å; I253-D257 PolarHBondContact O-N 3.44Å; I253-L264 HydrophobicContact CG1-CD1 4.24Å; I253-L264 HydrophobicContact CG1-CG 4.23Å
254	N	91.8	Very high	92.5	Very high	132 Å²	132	56.1 Å²	56.1	71%	0.706	28%	0.279	S	S	*	.	H	α-helix	trans	-60.9	-28.7	-178.6	-176.4	42.4	0	0	0	113.6	K250 H251	K250-N254 VanDerWaalsContact O-CB 3.28Å; K250-N254 WeakPolarHBondContact O-CB 3.05Å; K250-N254 PolarHBondContact O-N 2.87Å; H251-N254 PolarHBondContact O-N 2.91Å
255	V	90.7	Very high	93.3	Very high	57 Å²	57	54.3 Å²	54.3	35%	0.345	27%	0.274	S	S	.	.	H	α-helix	trans	-82.5	-38.4	178.1	173	0	0	0	0	112.3	H251 L252 I253 T275	H251-V255 VanDerWaalsContact CE1-CG2 3.49Å; H251-V255 WeakPolarHBondContact CE1-CG2 3.29Å; H251-V255 WeakPolarHBondContact O-CG2 3.46Å; H251-V255 PolarHBondContact O-N 2.79Å; L252-V255 PolarHBondContact O-N 3.07Å; I253-V255 PolarHBondContact O-N 3.38Å; I253-V255 VanDerWaalsContact O-N 3.16Å; V255-T275 HydrophobicContact CB-CG2 4.35Å; V255-T275 HydrophobicContact CG1-CG2 3.81Å
256	A	94.8	Very high	93.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-106.4	-15.2	-168.5	0	0	0	0	0	115.5	L252 I253 D258 L264 E268 H272 F276	L252-A256 WeakPolarHBondContact O-CB 3.47Å; L252-A256 PolarHBondContact O-N 2.86Å; I253-A256 PolarHBondContact O-N 3.31Å; A256-D258 PolarHBondContact O-N 2.95Å; A256-L264 HydrophobicContact CB-CD1 4.16Å; A256-L264 HydrophobicContact CB-CD2 3.84Å; A256-E268 WeakPolarHBondContact O-CB 3.49Å; A256-H272 HydrophobicContact CB-CB 3.91Å; A256-H272 PolarHBondContact O-CD2 2.82Å; A256-F276 HydrophobicContact CB-CE2 3.78Å; A256-F276 HydrophobicContact CB-CZ 4.26Å
257	D	97.1	Very high	94	Very high	22 Å²	22	60.3 Å²	60.3	12%	0.118	30%	0.301	C	S	.	.			trans	-75	87.3	179.9	-178.8	5.8	0	0	0	110.3	I253 K260 D261 Q262 L264	I253-D257 HydrophobicContact CG2-CB 4.01Å; I253-D257 WeakPolarHBondContact O-CB 3.42Å; I253-D257 PolarHBondContact O-N 3.44Å; D257-K260 VanDerWaalsContact CG-CA 3.47Å; D257-K260 WeakPolarHBondContact OD1-CA 3.49Å; D257-K260 PolarHBondContact OD1-N 2.77Å; D257-K260 VanDerWaalsContact OD2-CA 3.28Å; D257-K260 WeakPolarHBondContact OD2-CA 3.22Å; D257-D261 PolarHBondContact OD1-N 3.12Å; D257-D261 PolarHBondContact OD2-N 3.25Å; D257-Q262 VanDerWaalsContact OD2-CA 3.22Å; D257-Q262 WeakPolarHBondContact OD2-CA 3.46Å; D257-Q262 PolarHBondContact OD2-N 3.38Å; D257-L264 HydrophobicContact CB-CD2 3.72Å; D257-L264 VanDerWaalsContact N-CD2 3.33Å
258	D	97	Very high	94.4	Very high	90 Å²	90	59.3 Å²	59.3	48%	0.481	29%	0.291	S	S	.	.	S	Bend	trans	-71.1	-36.1	-174.5	-75.1	-27.9	0	0	0	111.2	A256 E268 H272	A256-D258 PolarHBondContact O-N 2.95Å; D258-E268 HydrophobicContact CB-CG 4.17Å; D258-E268 PolarHBondContact N-OE1 3.16Å; D258-H272 IonicContact OD1-CD2 3.18Å; D258-H272 IonicContact OD1-CE1 3.8Å; D258-H272 IonicContact OD1-NE2 3.39Å; D258-H272 PolarHBondContact OD1-NE2 3.45Å; D258-H272 IonicContact OD2-NE2 3.95Å; D258-H272 PolarHBondContact OD2-NE2 3.27Å
259	D	97	Very high	94.8	Very high	103 Å²	103	58.4 Å²	58.4	55%	0.551	29%	0.287	S	S	*	.	S	Bend	trans	-93.4	-8.7	-176.7	83.3	11.2	0	0	0	114.9	D261 E268	D259-D261 VanDerWaalsContact OD1-CB 3.27Å; D259-D261 WeakPolarHBondContact OD1-CB 3.36Å; D259-D261 PolarHBondContact OD1-N 3.4Å; D259-D261 VanDerWaalsContact OD1-N 3.12Å; D259-E268 PolarHBondContact N-OE1 3.24Å
260	K	95.4	Very high	94.9	Very high	170 Å²	170	59.8 Å²	59.8	74%	0.739	29%	0.294	S	S	*	.			trans	67.7	32.6	173.9	-51.8	-173.3	178.8	-170.7	0	113.7	D257 Q262	D257-K260 VanDerWaalsContact CG-CA 3.47Å; D257-K260 WeakPolarHBondContact OD1-CA 3.49Å; D257-K260 PolarHBondContact OD1-N 2.77Å; D257-K260 VanDerWaalsContact OD2-CA 3.28Å; D257-K260 WeakPolarHBondContact OD2-CA 3.22Å; K260-Q262 VanDerWaalsContact C-N 3.3Å
261	D	96.3	Very high	95	Very high	62 Å²	62	59.3 Å²	59.3	33%	0.332	30%	0.296	S	S	.	.	S	Bend	trans	-88.4	4.1	176.4	84	-4.3	0	0	0	114	D257 D259 K263	D257-D261 PolarHBondContact OD1-N 3.12Å; D257-D261 PolarHBondContact OD2-N 3.25Å; D259-D261 VanDerWaalsContact OD1-CB 3.27Å; D259-D261 WeakPolarHBondContact OD1-CB 3.36Å; D259-D261 PolarHBondContact OD1-N 3.4Å; D259-D261 VanDerWaalsContact OD1-N 3.12Å; D261-K263 VanDerWaalsContact C-N 3.3Å; D261-K263 WeakPolarHBondContact OD1-CG 3.4Å; D261-K263 PolarHBondContact OD1-N 2.98Å; D261-K263 VanDerWaalsContact OD1-N 3.14Å; D261-K263 WeakPolarHBondContact OD2-CE 3.32Å; D261-K263 IonicContact OD2-NZ 2.76Å
262	Q	95.1	Very high	95.3	Very high	156 Å²	156	59.2 Å²	59.2	73%	0.729	30%	0.296	S	S	*	.	S	Bend	trans	70.4	17.3	177.3	-54.6	-175	-21.9	0	0	115.1	D257 K260	D257-Q262 VanDerWaalsContact OD2-CA 3.22Å; D257-Q262 WeakPolarHBondContact OD2-CA 3.46Å; D257-Q262 PolarHBondContact OD2-N 3.38Å; K260-Q262 VanDerWaalsContact C-N 3.3Å
263	K	96.3	Very high	95.2	Very high	59 Å²	59	61.4 Å²	61.4	26%	0.257	30%	0.304	S	S	.	.	S	Bend	trans	-143.1	164.1	173	54.2	-179.2	-176.3	168.9	0	108	F63 D65 D261	F63-K263 HydrophobicContact CB-CB 4.28Å; F63-K263 HydrophobicContact CB-CD 3.78Å; F63-K263 HydrophobicContact CB-CG 4.21Å; F63-K263 HydrophobicContact CD1-CD 3.77Å; F63-K263 HydrophobicContact CD1-CG 3.95Å; F63-K263 HydrophobicContact CD2-CD 4.29Å; F63-K263 HydrophobicContact CE1-CD 4.44Å; F63-K263 HydrophobicContact CG-CD 3.68Å; F63-K263 HydrophobicContact CG-CG 4.26Å; D65-K263 HydrophobicContact CB-CB 4.29Å; D261-K263 VanDerWaalsContact C-N 3.3Å; D261-K263 WeakPolarHBondContact OD1-CG 3.4Å; D261-K263 PolarHBondContact OD1-N 2.98Å; D261-K263 VanDerWaalsContact OD1-N 3.14Å; D261-K263 WeakPolarHBondContact OD2-CE 3.32Å; D261-K263 IonicContact OD2-NZ 2.76Å
264	L	97.3	Very high	94.8	Very high	0 Å²	0	67 Å²	67	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	122	-174.9	-61.6	179.2	0	0	0	110.4	F63 T64 L69 I253 A256 D257 I269 F276	F63-L264 CarbonylContact C-O 3.59Å; F63-L264 WeakPolarHBondContact CA-O 3.23Å; T64-L264 PolarHBondContact N-O 3.03Å; T64-L264 PolarHBondContact O-N 3.42Å; L69-L264 HydrophobicContact CD1-CD1 4.13Å; I253-L264 HydrophobicContact CG1-CD1 4.24Å; I253-L264 HydrophobicContact CG1-CG 4.23Å; A256-L264 HydrophobicContact CB-CD1 4.16Å; A256-L264 HydrophobicContact CB-CD2 3.84Å; D257-L264 HydrophobicContact CB-CD2 3.72Å; D257-L264 VanDerWaalsContact N-CD2 3.33Å; L264-I269 HydrophobicContact CB-CD1 3.88Å; L264-I269 HydrophobicContact CB-CG1 3.74Å; L264-I269 HydrophobicContact CD1-CD1 4.41Å; L264-I269 HydrophobicContact CD1-CG1 4.05Å; L264-F276 HydrophobicContact CD1-CE1 4.29Å; L264-F276 HydrophobicContact CD1-CE2 4.36Å; L264-F276 HydrophobicContact CD1-CZ 3.49Å; L264-F276 VanDerWaalsContact CD1-CZ 3.49Å
265	S	97.2	Very high	94.6	Very high	27 Å²	27	62.7 Å²	62.7	19%	0.189	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	154.6	165.5	70.1	0	0	0	0	110.5	K267 E268 I269	S265-K267 PolarHBondContact O-N 2.99Å; S265-K267 VanDerWaalsContact O-N 3.12Å; S265-E268 VanDerWaalsContact CB-OE2 3.27Å; S265-E268 WeakPolarHBondContact CB-OE2 3.47Å; S265-E268 PolarHBondContact N-OE2 3.32Å; S265-E268 PolarHBondContact O-N 3.5Å; S265-E268 VanDerWaalsContact O-N 3.1Å; S265-E268 WeakPolarHBondContact OG-CG 3.21Å; S265-E268 PolarHBondContact OG-N 3.44Å; S265-E268 PolarHBondContact OG-OE2 2.67Å; S265-I269 PolarHBondContact O-N 3.31Å
266	L	95.9	Very high	94.5	Very high	48 Å²	48	60 Å²	60	25%	0.251	29%	0.293	S	S	.	.	H	α-helix	trans	-53	-36.1	172.9	176.3	63.1	0	0	0	112	E50 I53 L270	E50-L266 HydrophobicContact CB-CD1 4.17Å; E50-L266 HydrophobicContact CG-CD1 4.01Å; E50-L266 HydrophobicContact CG-CD2 3.9Å; I53-L266 HydrophobicContact CB-CD1 4.23Å; I53-L266 HydrophobicContact CG2-CD1 4.16Å; L266-L270 HydrophobicContact CD1-CD1 3.96Å; L266-L270 HydrophobicContact CD1-CD2 4.48Å; L266-L270 HydrophobicContact CD1-CG 3.97Å; L266-L270 HydrophobicContact CG-CD1 3.94Å; L266-L270 HydrophobicContact CG-CG 4.31Å; L266-L270 WeakPolarHBondContact O-CB 3.35Å; L266-L270 WeakPolarHBondContact O-CG 3.47Å; L266-L270 PolarHBondContact O-N 2.87Å
267	K	96.4	Very high	94	Very high	134 Å²	134	60.6 Å²	60.6	58%	0.583	30%	0.296	S	S	*	.	H	α-helix	trans	-64.2	-46.2	179.8	-177.4	-174.2	166.5	-63.7	0	111.1	S265 L270 D271	S265-K267 PolarHBondContact O-N 2.99Å; S265-K267 VanDerWaalsContact O-N 3.12Å; K267-L270 PolarHBondContact O-N 2.55Å; K267-D271 WeakPolarHBondContact CE-OD2 3.35Å; K267-D271 IonicContact NZ-OD2 3.83Å; K267-D271 PolarHBondContact NZ-OD2 3.48Å; K267-D271 WeakPolarHBondContact O-CB 3.24Å; K267-D271 VanDerWaalsContact O-CG 3.31Å; K267-D271 PolarHBondContact O-N 2.92Å
268	E	97.5	Very high	93.1	Very high	8 Å²	8	61.2 Å²	61.2	4%	0.037	31%	0.308	C	S	.	.	H	α-helix	trans	-59.7	-47.7	178.6	-78.3	159.6	144.4	0	0	111.5	A256 D258 D259 S265 L270 D271 H272	A256-E268 WeakPolarHBondContact O-CB 3.49Å; D258-E268 HydrophobicContact CB-CG 4.17Å; D258-E268 PolarHBondContact N-OE1 3.16Å; D259-E268 PolarHBondContact N-OE1 3.24Å; S265-E268 VanDerWaalsContact CB-OE2 3.27Å; S265-E268 WeakPolarHBondContact CB-OE2 3.47Å; S265-E268 PolarHBondContact N-OE2 3.32Å; S265-E268 PolarHBondContact O-N 3.5Å; S265-E268 VanDerWaalsContact O-N 3.1Å; S265-E268 WeakPolarHBondContact OG-CG 3.21Å; S265-E268 PolarHBondContact OG-N 3.44Å; S265-E268 PolarHBondContact OG-OE2 2.67Å; E268-L270 VanDerWaalsContact C-N 3.3Å; E268-L270 PolarHBondContact O-N 2.72Å; E268-D271 PolarHBondContact O-N 2.7Å; E268-H272 WeakPolarHBondContact O-CB 3.44Å; E268-H272 PolarHBondContact O-CD2 3.36Å; E268-H272 PolarHBondContact O-N 2.83Å
269	I	94.8	Very high	92.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61	-40.7	178	-56.8	174.1	0	0	0	111	L49 I53 T64 L264 S265 H272 Y273 F276	L49-I269 HydrophobicContact CD1-CG2 4.4Å; L49-I269 HydrophobicContact CD2-CG2 3.88Å; L49-I269 HydrophobicContact CG-CG2 4.12Å; I53-I269 HydrophobicContact CB-CD1 4.42Å; I53-I269 HydrophobicContact CD1-CD1 3.73Å; I53-I269 HydrophobicContact CD1-CG2 3.81Å; I53-I269 HydrophobicContact CG1-CB 4.37Å; I53-I269 HydrophobicContact CG1-CD1 3.78Å; I53-I269 HydrophobicContact CG1-CG2 3.72Å; I53-I269 HydrophobicContact CG2-CD1 3.69Å; T64-I269 HydrophobicContact CG2-CD1 4.43Å; L264-I269 HydrophobicContact CB-CD1 3.88Å; L264-I269 HydrophobicContact CB-CG1 3.74Å; L264-I269 HydrophobicContact CD1-CD1 4.41Å; L264-I269 HydrophobicContact CD1-CG1 4.05Å; S265-I269 PolarHBondContact O-N 3.31Å; I269-H272 CarbonylContact O-C 3.58Å; I269-H272 VanDerWaalsContact O-C 3.27Å; I269-H272 PolarHBondContact O-N 3.44Å; I269-Y273 VanDerWaalsContact O-CA 3.29Å; I269-Y273 WeakPolarHBondContact O-CA 3.18Å; I269-Y273 PolarHBondContact O-N 2.82Å; I269-F276 HydrophobicContact CB-CD2 4.33Å; I269-F276 HydrophobicContact CB-CE2 4.12Å; I269-F276 HydrophobicContact CB-CZ 4.38Å; I269-F276 HydrophobicContact CG1-CE1 4.36Å; I269-F276 HydrophobicContact CG1-CE2 4.08Å; I269-F276 HydrophobicContact CG1-CZ 3.91Å; I269-F276 HydrophobicContact CG2-CB 4.38Å; I269-F276 HydrophobicContact CG2-CD1 3.85Å; I269-F276 HydrophobicContact CG2-CD2 3.54Å; I269-F276 HydrophobicContact CG2-CE1 4.03Å; I269-F276 HydrophobicContact CG2-CE2 3.74Å; I269-F276 HydrophobicContact CG2-CG 3.62Å; I269-F276 HydrophobicContact CG2-CZ 4.01Å
270	L	94.9	Very high	91.5	Very high	28 Å²	28	54 Å²	54	15%	0.147	27%	0.268	C	S	.	.	H	α-helix	trans	-73.9	-27.5	178.7	-67.3	-178.2	0	0	0	113.8	K46 L49 E50 L266 K267 E268	K46-L270 HydrophobicContact CB-CD2 3.97Å; K46-L270 WeakPolarHBondContact CE-O 3.37Å; K46-L270 HydrophobicContact CG-CD2 4.2Å; K46-L270 PolarHBondContact NZ-O 3.43Å; K46-L270 WeakPolarHBondContact O-CD2 3.35Å; L49-L270 HydrophobicContact CB-CD2 4.23Å; L49-L270 HydrophobicContact CD2-CD2 4.23Å; L49-L270 HydrophobicContact CG-CD2 4.31Å; E50-L270 HydrophobicContact CB-CD2 4.47Å; L266-L270 HydrophobicContact CD1-CD1 3.96Å; L266-L270 HydrophobicContact CD1-CD2 4.48Å; L266-L270 HydrophobicContact CD1-CG 3.97Å; L266-L270 HydrophobicContact CG-CD1 3.94Å; L266-L270 HydrophobicContact CG-CG 4.31Å; L266-L270 WeakPolarHBondContact O-CB 3.35Å; L266-L270 WeakPolarHBondContact O-CG 3.47Å; L266-L270 PolarHBondContact O-N 2.87Å; K267-L270 PolarHBondContact O-N 2.55Å; E268-L270 VanDerWaalsContact C-N 3.3Å; E268-L270 PolarHBondContact O-N 2.72Å
271	D	95.2	Very high	90.9	Very high	82 Å²	82	45.9 Å²	45.9	44%	0.439	23%	0.233	S	C	.	.	H	α-helix	trans	-74.4	-34.7	173.6	-74.8	-15.5	0	0	0	110.6	K267 E268	K267-D271 WeakPolarHBondContact CE-OD2 3.35Å; K267-D271 IonicContact NZ-OD2 3.83Å; K267-D271 PolarHBondContact NZ-OD2 3.48Å; K267-D271 WeakPolarHBondContact O-CB 3.24Å; K267-D271 VanDerWaalsContact O-CG 3.31Å; K267-D271 PolarHBondContact O-N 2.92Å; E268-D271 PolarHBondContact O-N 2.7Å
272	H	92.6	Very high	90	Very high	50 Å²	50	43 Å²	43	23%	0.231	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	30.6	175.2	-63.5	-78.8	0	0	0	113.5	A256 D258 E268 I269 E274 T275	A256-H272 HydrophobicContact CB-CB 3.91Å; A256-H272 PolarHBondContact O-CD2 2.82Å; D258-H272 IonicContact OD1-CD2 3.18Å; D258-H272 IonicContact OD1-CE1 3.8Å; D258-H272 IonicContact OD1-NE2 3.39Å; D258-H272 PolarHBondContact OD1-NE2 3.45Å; D258-H272 IonicContact OD2-NE2 3.95Å; D258-H272 PolarHBondContact OD2-NE2 3.27Å; E268-H272 WeakPolarHBondContact O-CB 3.44Å; E268-H272 PolarHBondContact O-CD2 3.36Å; E268-H272 PolarHBondContact O-N 2.83Å; I269-H272 CarbonylContact O-C 3.58Å; I269-H272 VanDerWaalsContact O-C 3.27Å; I269-H272 PolarHBondContact O-N 3.44Å; H272-E274 VanDerWaalsContact C-N 3.26Å; H272-E274 PolarHBondContact O-N 2.9Å; H272-E274 VanDerWaalsContact O-N 3.13Å; H272-T275 WeakPolarHBondContact O-CB 3.38Å; H272-T275 PolarHBondContact O-N 3.47Å
273	Y	91	Very high	89.1	Confident	46 Å²	46	36.2 Å²	36.2	18%	0.18	19%	0.186	C	C	.	.	H	α-helix	trans	-58	-32.8	-169.6	77.5	-75.1	0	0	0	114.3	T45 K46 I269 T275 F276 V277	T45-Y273 HydrophobicContact CG2-CD2 3.9Å; T45-Y273 HydrophobicContact CG2-CE2 4.35Å; K46-Y273 VanDerWaalsContact CE-CD1 3.41Å; K46-Y273 HydrophobicContact CG-CG 4.18Å; I269-Y273 VanDerWaalsContact O-CA 3.29Å; I269-Y273 WeakPolarHBondContact O-CA 3.18Å; I269-Y273 PolarHBondContact O-N 2.82Å; Y273-T275 VanDerWaalsContact C-N 3.3Å; Y273-T275 PolarHBondContact O-N 3.09Å; Y273-F276 PolarHBondContact O-N 3.28Å; Y273-V277 HydrophobicContact CD2-CG2 4.32Å; Y273-V277 WeakPolarHBondContact O-CB 3.38Å; Y273-V277 WeakPolarHBondContact O-CG2 3.31Å; Y273-V277 PolarHBondContact O-N 2.85Å
274	E	87.2	Confident	87.8	Confident	132 Å²	132	36.4 Å²	36.4	62%	0.617	19%	0.186	S	C	*	.	H	α-helix	trans	-61.5	-38.9	178.7	-65.1	177.1	-177.3	0	0	111.5	H272 F276 V277 G278	H272-E274 VanDerWaalsContact C-N 3.26Å; H272-E274 PolarHBondContact O-N 2.9Å; H272-E274 VanDerWaalsContact O-N 3.13Å; E274-F276 PolarHBondContact O-N 3.28Å; E274-V277 PolarHBondContact O-N 3.09Å; E274-G278 PolarHBondContact O-N 3.49Å
275	T	87.1	Confident	86.3	Confident	43 Å²	43	36.5 Å²	36.5	26%	0.264	19%	0.186	S	C	.	.	H	α-helix	trans	-60.8	-45.3	175.2	-52.9	0	0	0	0	111.3	L252 V255 H272 Y273 G278 S279	L252-T275 HydrophobicContact CD2-CG2 3.82Å; V255-T275 HydrophobicContact CB-CG2 4.35Å; V255-T275 HydrophobicContact CG1-CG2 3.81Å; H272-T275 WeakPolarHBondContact O-CB 3.38Å; H272-T275 PolarHBondContact O-N 3.47Å; Y273-T275 VanDerWaalsContact C-N 3.3Å; Y273-T275 PolarHBondContact O-N 3.09Å; T275-G278 PolarHBondContact O-N 2.67Å; T275-S279 VanDerWaalsContact O-CB 3.3Å; T275-S279 WeakPolarHBondContact O-CB 3.45Å; T275-S279 PolarHBondContact O-N 2.69Å
276	F	87.9	Confident	85	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-74.1	-32.2	-178.6	-76.8	-90.1	0	0	0	113.6	L49 L69 L252 A256 L264 I269 Y273 E274 S279 V281 T282	L49-F276 HydrophobicContact CD1-CB 4.09Å; L49-F276 HydrophobicContact CD2-CB 4.03Å; L69-F276 HydrophobicContact CD2-CE1 4.32Å; L252-F276 HydrophobicContact CB-CE1 4.34Å; L252-F276 HydrophobicContact CB-CZ 4.21Å; L252-F276 HydrophobicContact CD1-CE1 4.21Å; L252-F276 HydrophobicContact CD2-CE1 4.36Å; L252-F276 HydrophobicContact CD2-CZ 4.44Å; A256-F276 HydrophobicContact CB-CE2 3.78Å; A256-F276 HydrophobicContact CB-CZ 4.26Å; L264-F276 HydrophobicContact CD1-CE1 4.29Å; L264-F276 HydrophobicContact CD1-CE2 4.36Å; L264-F276 HydrophobicContact CD1-CZ 3.49Å; L264-F276 VanDerWaalsContact CD1-CZ 3.49Å; I269-F276 HydrophobicContact CB-CD2 4.33Å; I269-F276 HydrophobicContact CB-CE2 4.12Å; I269-F276 HydrophobicContact CB-CZ 4.38Å; I269-F276 HydrophobicContact CG1-CE1 4.36Å; I269-F276 HydrophobicContact CG1-CE2 4.08Å; I269-F276 HydrophobicContact CG1-CZ 3.91Å; I269-F276 HydrophobicContact CG2-CB 4.38Å; I269-F276 HydrophobicContact CG2-CD1 3.85Å; I269-F276 HydrophobicContact CG2-CD2 3.54Å; I269-F276 HydrophobicContact CG2-CE1 4.03Å; I269-F276 HydrophobicContact CG2-CE2 3.74Å; I269-F276 HydrophobicContact CG2-CG 3.62Å; I269-F276 HydrophobicContact CG2-CZ 4.01Å; Y273-F276 PolarHBondContact O-N 3.28Å; E274-F276 PolarHBondContact O-N 3.28Å; F276-S279 WeakPolarHBondContact CA-OG 3.28Å; F276-S279 PolarHBondContact O-N 2.97Å; F276-S279 PolarHBondContact O-OG 2.88Å; F276-V281 HydrophobicContact CD1-CB 4.35Å; F276-V281 HydrophobicContact CD1-CG1 4.25Å; F276-V281 HydrophobicContact CD1-CG2 4.26Å; F276-T282 VanDerWaalsContact O-CG2 3.25Å; F276-T282 WeakPolarHBondContact O-CG2 3.34Å; F276-T282 PolarHBondContact O-OG1 3.1Å
277	V	84.5	Confident	83.8	Confident	13 Å²	13	37.2 Å²	37.2	8%	0.079	19%	0.186	C	C	.	.	H	α-helix	trans	-64.3	-43.8	173.6	159.3	0	0	0	0	111	M37 T45 Y273 E274 S279 T282 Y284 G285 L288	M37-V277 HydrophobicContact CE-CB 4.26Å; M37-V277 HydrophobicContact CE-CG1 3.15Å; M37-V277 HydrophobicContact CE-CG2 4.1Å; M37-V277 HydrophobicContact SD-CG1 3.11Å; M37-V277 WeakPolarHBondContact SD-CG1 3.37Å; T45-V277 HydrophobicContact CG2-CG2 3.49Å; T45-V277 VanDerWaalsContact CG2-CG2 3.49Å; Y273-V277 HydrophobicContact CD2-CG2 4.32Å; Y273-V277 WeakPolarHBondContact O-CB 3.38Å; Y273-V277 WeakPolarHBondContact O-CG2 3.31Å; Y273-V277 PolarHBondContact O-N 2.85Å; E274-V277 PolarHBondContact O-N 3.09Å; V277-S279 PolarHBondContact O-N 3.2Å; V277-T282 PolarHBondContact O-OG1 2.86Å; V277-Y284 CarbonylContact O-C 3.48Å; V277-Y284 WeakPolarHBondContact O-CA 3.31Å; V277-G285 PolarHBondContact O-N 2.86Å; V277-G285 VanDerWaalsContact O-N 3.14Å; V277-L288 HydrophobicContact CG2-CD1 3.74Å
278	G	77.7	Confident	82.8	Confident	35 Å²	35	30.9 Å²	30.9	36%	0.361	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	3.9	178.9	0	0	0	0	0	114.3	E274 T275 Y284	E274-G278 PolarHBondContact O-N 3.49Å; T275-G278 PolarHBondContact O-N 2.67Å; G278-Y284 WeakPolarHBondContact O-CD1 3.32Å
279	S	82.8	Confident	81.5	Confident	4 Å²	4	34.6 Å²	34.6	3%	0.028	18%	0.175	C	C	.	.	S	Bend	trans	-106.1	171.6	-173.7	79.1	0	0	0	0	113.6	E248 T275 F276 V277 V281 T282 Y284	E248-S279 VanDerWaalsContact OE1-CB 3.3Å; E248-S279 WeakPolarHBondContact OE1-CB 3.45Å; T275-S279 VanDerWaalsContact O-CB 3.3Å; T275-S279 WeakPolarHBondContact O-CB 3.45Å; T275-S279 PolarHBondContact O-N 2.69Å; F276-S279 WeakPolarHBondContact CA-OG 3.28Å; F276-S279 PolarHBondContact O-N 2.97Å; F276-S279 PolarHBondContact O-OG 2.88Å; V277-S279 PolarHBondContact O-N 3.2Å; S279-V281 PolarHBondContact O-N 2.77Å; S279-V281 VanDerWaalsContact O-N 3.14Å; S279-V281 WeakPolarHBondContact OG-CB 3.45Å; S279-V281 PolarHBondContact OG-N 3.4Å; S279-T282 PolarHBondContact O-N 2.93Å; S279-Y284 PolarHBondContact O-N 3.42Å
280	Q	78.9	Confident	80.3	Confident	37 Å²	37	36 Å²	36	17%	0.173	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-64	-16.1	175.7	-60.9	-168.6	-32.1	0	0	113.4	I73 E248 T282 D283 Y284	I73-Q280 HydrophobicContact CG2-CB 3.95Å; I73-Q280 VanDerWaalsContact CG2-OE1 3.27Å; E248-Q280 HydrophobicContact CG-CB 4.3Å; E248-Q280 HydrophobicContact CG-CG 4.38Å; Q280-T282 PolarHBondContact O-N 2.97Å; Q280-D283 PolarHBondContact O-N 3.21Å; Q280-Y284 HydrophobicContact CG-CE2 4.47Å
281	V	81.7	Confident	78.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-60.7	-36.7	178	171.6	0	0	0	0	111.4	L52 I56 L69 H72 I73 L252 F276 S279 Q287	L52-V281 HydrophobicContact CD2-CG1 4.04Å; I56-V281 HydrophobicContact CD1-CG1 3.81Å; L69-V281 HydrophobicContact CD2-CG2 4.14Å; H72-V281 PolarHBondContact NE2-O 3.15Å; I73-V281 HydrophobicContact CD1-CG2 4.21Å; I73-V281 HydrophobicContact CG1-CG2 3.95Å; L252-V281 HydrophobicContact CD1-CG2 3.42Å; L252-V281 VanDerWaalsContact CD1-CG2 3.42Å; F276-V281 HydrophobicContact CD1-CB 4.35Å; F276-V281 HydrophobicContact CD1-CG1 4.25Å; F276-V281 HydrophobicContact CD1-CG2 4.26Å; S279-V281 PolarHBondContact O-N 2.77Å; S279-V281 VanDerWaalsContact O-N 3.14Å; S279-V281 WeakPolarHBondContact OG-CB 3.45Å; S279-V281 PolarHBondContact OG-N 3.4Å; V281-Q287 PolarHBondContact O-OE1 3.01Å
282	T	78.6	Confident	76.9	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-107.6	9.1	-177.7	61.2	0	0	0	0	113.2	L49 L52 F276 V277 S279 Q280 Y284 G285 E286 Q287 L288	L49-T282 HydrophobicContact CD1-CG2 4.17Å; L52-T282 HydrophobicContact CD2-CG2 3.77Å; F276-T282 VanDerWaalsContact O-CG2 3.25Å; F276-T282 WeakPolarHBondContact O-CG2 3.34Å; F276-T282 PolarHBondContact O-OG1 3.1Å; V277-T282 PolarHBondContact O-OG1 2.86Å; S279-T282 PolarHBondContact O-N 2.93Å; Q280-T282 PolarHBondContact O-N 2.97Å; T282-Y284 VanDerWaalsContact C-N 3.3Å; T282-G285 CarbonylContact O-C 3.48Å; T282-G285 PolarHBondContact O-N 2.84Å; T282-G285 PolarHBondContact OG1-N 3.49Å; T282-E286 PolarHBondContact O-N 3.01Å; T282-Q287 WeakPolarHBondContact O-CB 3.23Å; T282-Q287 WeakPolarHBondContact O-CG 3.47Å; T282-Q287 PolarHBondContact O-N 3.48Å; T282-L288 HydrophobicContact CG2-CD1 4.13Å; T282-L288 HydrophobicContact CG2-CD2 4.28Å; T282-L288 HydrophobicContact CG2-CG 4.13Å
283	D	75.7	Confident	75.2	Confident	15 Å²	15	44 Å²	44	8%	0.08	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	50.7	-168.3	-158.7	7.2	0	0	0	110.6	M76 Y80 Q280 G285 E286 Q287	M76-D283 HydrophobicContact CE-CB 3.79Å; Y80-D283 WeakPolarHBondContact CD2-OD1 3.26Å; Q280-D283 PolarHBondContact O-N 3.21Å; D283-G285 PolarHBondContact O-N 3.31Å; D283-G285 VanDerWaalsContact O-N 3.1Å; D283-E286 HydrophobicContact CB-CB 4.17Å; D283-E286 WeakPolarHBondContact O-CB 3.39Å; D283-E286 PolarHBondContact O-N 3.18Å; D283-Q287 HydrophobicContact CB-CG 4.33Å
284	Y	70	Confident	73.9	Confident	63 Å²	63	46.4 Å²	46.4	25%	0.247	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	31.2	-176.1	-51.7	-82.2	0	0	0	113.8	F28 L33 V277 G278 S279 Q280 T282	F28-Y284 HydrophobicContact CZ-CE1 4.46Å; L33-Y284 WeakPolarHBondContact CD2-O 3.45Å; V277-Y284 CarbonylContact O-C 3.48Å; V277-Y284 WeakPolarHBondContact O-CA 3.31Å; G278-Y284 WeakPolarHBondContact O-CD1 3.32Å; S279-Y284 PolarHBondContact O-N 3.42Å; Q280-Y284 HydrophobicContact CG-CE2 4.47Å; T282-Y284 VanDerWaalsContact C-N 3.3Å
285	G	64.2	Low	72.7	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.01	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.9	-11.7	179.5	0	0	0	0	0	115.3	V277 T282 D283 Q287 L288	V277-G285 PolarHBondContact O-N 2.86Å; V277-G285 VanDerWaalsContact O-N 3.14Å; T282-G285 CarbonylContact O-C 3.48Å; T282-G285 PolarHBondContact O-N 2.84Å; T282-G285 PolarHBondContact OG1-N 3.49Å; D283-G285 PolarHBondContact O-N 3.31Å; D283-G285 VanDerWaalsContact O-N 3.1Å; G285-Q287 VanDerWaalsContact C-N 3.27Å; G285-Q287 PolarHBondContact O-N 3.39Å; G285-L288 WeakPolarHBondContact O-CB 3.31Å; G285-L288 PolarHBondContact O-N 3.47Å
286	E	71.4	Confident	71.2	Confident	87 Å²	87	45.2 Å²	45.2	41%	0.407	24%	0.24	S	C	.	.	H	α-helix	trans	-57.7	-40.5	-178.8	-172.7	-176.8	154	0	0	111.5	T282 D283 L288 Q289	T282-E286 PolarHBondContact O-N 3.01Å; D283-E286 HydrophobicContact CB-CB 4.17Å; D283-E286 WeakPolarHBondContact O-CB 3.39Å; D283-E286 PolarHBondContact O-N 3.18Å; E286-L288 PolarHBondContact O-N 2.74Å; E286-Q289 WeakPolarHBondContact O-CB 3.14Å; E286-Q289 PolarHBondContact O-N 3.19Å
287	Q	69.3	Low	70.4	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.019	25%	0.252	C	S	.	.	H	α-helix	trans	-57.5	-40.6	176.9	-72.8	-152.6	-40.6	0	0	112	L52 M76 V281 T282 D283 G285 Q289 K290 L296	L52-Q287 VanDerWaalsContact CD2-OE1 3.32Å; M76-Q287 HydrophobicContact CE-CG 3.45Å; M76-Q287 VanDerWaalsContact CE-CG 3.45Å; M76-Q287 VanDerWaalsContact SD-CD 3.59Å; M76-Q287 HydrophobicContact SD-CG 4.37Å; M76-Q287 PolarHBondContact SD-NE2 3.3Å; V281-Q287 PolarHBondContact O-OE1 3.01Å; T282-Q287 WeakPolarHBondContact O-CB 3.23Å; T282-Q287 WeakPolarHBondContact O-CG 3.47Å; T282-Q287 PolarHBondContact O-N 3.48Å; D283-Q287 HydrophobicContact CB-CG 4.33Å; G285-Q287 VanDerWaalsContact C-N 3.27Å; G285-Q287 PolarHBondContact O-N 3.39Å; Q287-Q289 PolarHBondContact O-N 3.08Å; Q287-Q289 VanDerWaalsContact O-N 3.16Å; Q287-K290 WeakPolarHBondContact O-CB 3.04Å; Q287-K290 WeakPolarHBondContact O-CG 3.31Å; Q287-K290 PolarHBondContact O-N 3.49Å; Q287-L296 HydrophobicContact CB-CD2 4.46Å; Q287-L296 PolarHBondContact NE2-OXT 3.05Å; Q287-L296 WeakPolarHBondContact O-CD2 3.43Å
288	L	76	Confident	69.7	Low	1 Å²	1	49.3 Å²	49.3	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-70.7	-10.5	-176.7	-55.4	-179.5	0	0	0	112.3	L40 T45 K48 V277 T282 G285 E286	L40-L288 HydrophobicContact CD1-CB 4.49Å; L40-L288 WeakPolarHBondContact CD1-O 3.42Å; T45-L288 HydrophobicContact CG2-CD1 3.95Å; K48-L288 HydrophobicContact CB-CD2 3.74Å; K48-L288 HydrophobicContact CD-CB 4.4Å; K48-L288 WeakPolarHBondContact CD-O 3.44Å; K48-L288 WeakPolarHBondContact CE-O 3.31Å; K48-L288 PolarHBondContact NZ-O 3.16Å; V277-L288 HydrophobicContact CG2-CD1 3.74Å; T282-L288 HydrophobicContact CG2-CD1 4.13Å; T282-L288 HydrophobicContact CG2-CD2 4.28Å; T282-L288 HydrophobicContact CG2-CG 4.13Å; G285-L288 WeakPolarHBondContact O-CB 3.31Å; G285-L288 PolarHBondContact O-N 3.47Å; E286-L288 PolarHBondContact O-N 2.74Å
289	Q	71	Confident	69.2	Low	85 Å²	85	50.1 Å²	50.1	40%	0.397	26%	0.256	S	S	.	.	H	α-helix	trans	-80.3	-17.7	175	-60.7	-170.6	8.6	0	0	113.1	E286 Q287 H291	E286-Q289 WeakPolarHBondContact O-CB 3.14Å; E286-Q289 PolarHBondContact O-N 3.19Å; Q287-Q289 PolarHBondContact O-N 3.08Å; Q287-Q289 VanDerWaalsContact O-N 3.16Å; Q289-H291 PolarHBondContact O-N 2.89Å
290	K	68.1	Low	68.4	Low	31 Å²	31	52.8 Å²	52.8	14%	0.135	27%	0.269	C	S	.	.			trans	-58.2	132.9	-179.2	-64.3	175.2	-177.3	167.6	0	111.7	K48 Q287 E295 L296	K48-K290 PolarHBondContact NZ-O 2.69Å; Q287-K290 WeakPolarHBondContact O-CB 3.04Å; Q287-K290 WeakPolarHBondContact O-CG 3.31Å; Q287-K290 PolarHBondContact O-N 3.49Å; K290-E295 HydrophobicContact CB-CB 4.25Å; K290-E295 HydrophobicContact CD-CB 3.78Å; K290-E295 WeakPolarHBondContact CD-O 3.41Å; K290-E295 WeakPolarHBondContact CE-O 3.39Å; K290-E295 HydrophobicContact CG-CB 4.44Å; K290-E295 PolarHBondContact NZ-O 2.82Å; K290-L296 HydrophobicContact CB-CD2 4.25Å; K290-L296 HydrophobicContact CD-CD2 4.41Å
291	H	56.2	Low	67.8	Low	179 Å²	179	53.8 Å²	53.8	83%	0.829	28%	0.275	S	S	*	.	S	Bend	trans	-80.8	-30.2	-173.5	-71.7	-63.7	0	0	0	112.8	Q289	Q289-H291 PolarHBondContact O-N 2.89Å
292	D	62.9	Low	66.8	Low	78 Å²	78	57.4 Å²	57.4	42%	0.417	29%	0.293	S	S	.	.	S	Bend	trans	-99.3	120.2	175.8	-171.5	-28.5	0	0	0	109.6	S294 E295	D292-S294 PolarHBondContact O-N 3Å; D292-S294 VanDerWaalsContact O-N 3.1Å; D292-S294 WeakPolarHBondContact OD1-CB 3.49Å; D292-S294 PolarHBondContact OD1-N 3.49Å; D292-S294 PolarHBondContact OD1-OG 3.49Å; D292-S294 PolarHBondContact OD2-OG 2.67Å; D292-E295 HydrophobicContact CB-CG 3.93Å; D292-E295 WeakPolarHBondContact O-CB 3.43Å; D292-E295 PolarHBondContact O-N 3.1Å
293	P	57.2	Low	66	Low	70 Å²	70	61.5 Å²	61.5	46%	0.455	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-58.3	-19.9	176.4	-25.4	34.6	0	0	0	115.2	I51 E295 L296	I51-P293 HydrophobicContact CD1-CB 3.88Å; I51-P293 HydrophobicContact CD1-CG 4.3Å; I51-P293 HydrophobicContact CG2-CB 4.46Å; P293-E295 PolarHBondContact O-N 3.01Å; P293-L296 HydrophobicContact CB-CD1 4.39Å; P293-L296 WeakPolarHBondContact O-CB 3.21Å; P293-L296 PolarHBondContact O-N 2.59Å
294	S	63.3	Low	65.2	Low	96 Å²	96	65.1 Å²	65.1	67%	0.671	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-74.6	-12.9	173.9	68.1	0	0	0	0	113.5	D292	D292-S294 PolarHBondContact O-N 3Å; D292-S294 VanDerWaalsContact O-N 3.1Å; D292-S294 WeakPolarHBondContact OD1-CB 3.49Å; D292-S294 PolarHBondContact OD1-N 3.49Å; D292-S294 PolarHBondContact OD1-OG 3.49Å; D292-S294 PolarHBondContact OD2-OG 2.67Å
295	E	61.8	Low	64.8	Low	109 Å²	109	65.3 Å²	65.3	51%	0.509	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-89.1	-11.8	174.6	-60.8	176.6	154.8	0	0	112.5	K290 D292 P293	K290-E295 HydrophobicContact CB-CB 4.25Å; K290-E295 HydrophobicContact CD-CB 3.78Å; K290-E295 WeakPolarHBondContact CD-O 3.41Å; K290-E295 WeakPolarHBondContact CE-O 3.39Å; K290-E295 HydrophobicContact CG-CB 4.44Å; K290-E295 PolarHBondContact NZ-O 2.82Å; D292-E295 HydrophobicContact CB-CG 3.93Å; D292-E295 WeakPolarHBondContact O-CB 3.43Å; D292-E295 PolarHBondContact O-N 3.1Å; P293-E295 PolarHBondContact O-N 3.01Å
296	L	56.8	Low	64.9	Low	42 Å²	42	71.1 Å²	71.1	22%	0.22	37%	0.369	C	S	.	.			trans	-65.8	0	176.6	-67.5	174.1	0	0	0	111.5	K48 I51 Q287 K290 P293	K48-L296 HydrophobicContact CB-CD1 4.29Å; K48-L296 HydrophobicContact CG-CD1 4.48Å; I51-L296 HydrophobicContact CB-CD1 4.14Å; I51-L296 HydrophobicContact CG2-CD1 3.97Å; Q287-L296 HydrophobicContact CB-CD2 4.46Å; Q287-L296 PolarHBondContact NE2-OXT 3.05Å; Q287-L296 WeakPolarHBondContact O-CD2 3.43Å; K290-L296 HydrophobicContact CB-CD2 4.25Å; K290-L296 HydrophobicContact CD-CD2 4.41Å; P293-L296 HydrophobicContact CB-CD1 4.39Å; P293-L296 WeakPolarHBondContact O-CB 3.21Å; P293-L296 PolarHBondContact O-N 2.59Å

Retrieved 296 of 296 residues in 98.5 ms (Link to these results)

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