A0A087WZQ0_HUMAN Loading...

Growth arrest and DNA damage-inducible protein GADD45 alpha

AlphaFold DB , UniProt , Accession A0A087WZQ0, Species HUMAN (Homo sapiens, Human), Gene GADD45A, Length 147 aa.

						>A0A087WZQ0_HUMAN|A0A087WZQ0|GADD45A
MTLEEFSAGEQKTERMDKVGDALEEVLSKALSQRTITVGVYEAAKLLNVDVALQIHFTLIQAFCCENDINILRVSNPGRLAELLLLETDAGPAASEGAEQPPDLHCVLVTNPHSSQWKDPALSQLICFCRESRYMDQWVPVINLPER
					

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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	38.3	Very low	50.9	Low	230 Å²	230	122.5 Å²	122.5	100%	1.133	64%	0.644	S	S	*	*				0	120	0	-63.9	-172.3	-66.3	0	0	106.2
2	T	46.3	Very low	51.7	Low	92 Å²	92	124.5 Å²	124.5	56%	0.564	64%	0.643	S	S	*	*			trans	-79.3	142.5	-165	38.1	0	0	0	0	111.3	E4 E5	T2-E4 PolarHBondContact O-N 3.19Å; T2-E5 PolarHBondContact O-N 2.85Å
3	L	49.7	Very low	52.5	Low	162 Å²	162	121.2 Å²	121.2	85%	0.848	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-1	-176.9	-72.6	164	0	0	0	114.5
4	E	53.4	Low	53.5	Low	155 Å²	155	120.6 Å²	120.6	72%	0.724	63%	0.625	S	S	*	*	H	α-helix	trans	-82.8	-19.7	-178	-62.5	179.7	114.7	0	0	112.9	T2	T2-E4 PolarHBondContact O-N 3.19Å
5	E	50.2	Low	54.9	Low	140 Å²	140	120.7 Å²	120.7	65%	0.654	61%	0.614	S	S	*	*	H	α-helix	trans	-78	-26.8	178.6	-73.2	-171.3	105.6	0	0	113.7	T2 G9	T2-E5 PolarHBondContact O-N 2.85Å; E5-G9 PolarHBondContact O-N 2.85Å
6	F	46.2	Very low	56.4	Low	155 Å²	155	116.8 Å²	116.8	68%	0.68	59%	0.593	S	S	*	*	H	α-helix	trans	-68.5	-45.3	178.3	-90.3	-93.5	0	0	0	111.9	A8 G9 E10	F6-A8 VanDerWaalsContact C-N 3.34Å; F6-A8 PolarHBondContact O-N 2.81Å; F6-G9 PolarHBondContact O-N 3.16Å; F6-E10 PolarHBondContact O-N 3.25Å
7	S	52.8	Low	57.8	Low	63 Å²	63	114.2 Å²	114.2	44%	0.441	58%	0.582	S	S	.	*	H	α-helix	trans	-69.3	-31	-178.8	-166.6	0	0	0	0	113.2	Q11	S7-Q11 WeakPolarHBondContact O-CB 3.46Å; S7-Q11 WeakPolarHBondContact O-CG 3.16Å; S7-Q11 PolarHBondContact O-N 2.98Å; S7-Q11 VanDerWaalsContact O-N 3.16Å; S7-Q11 PolarHBondContact O-NE2 2.69Å; S7-Q11 VanDerWaalsContact O-NE2 3.09Å; S7-Q11 PolarHBondContact OG-NE2 2.94Å
8	A	53.5	Low	59.3	Low	58 Å²	58	113.8 Å²	113.8	48%	0.479	58%	0.575	S	S	.	*	H	α-helix	trans	-69.9	-35.9	174.9	0	0	0	0	0	112.1	F6 K12	F6-A8 VanDerWaalsContact C-N 3.34Å; F6-A8 PolarHBondContact O-N 2.81Å; A8-K12 VanDerWaalsContact O-CB 3.25Å; A8-K12 WeakPolarHBondContact O-CB 3.26Å; A8-K12 PolarHBondContact O-N 2.73Å; A8-K12 VanDerWaalsContact O-N 3.09Å
9	G	53.3	Low	60.8	Low	34 Å²	34	108.3 Å²	108.3	35%	0.351	55%	0.547	S	S	.	.	H	α-helix	trans	-67.5	-42.3	176.3	0	0	0	0	0	113.2	E5 F6 K12 T13	E5-G9 PolarHBondContact O-N 2.85Å; F6-G9 PolarHBondContact O-N 3.16Å; G9-K12 PolarHBondContact O-N 2.96Å; G9-T13 WeakPolarHBondContact O-CB 3.5Å; G9-T13 PolarHBondContact O-N 2.75Å; G9-T13 VanDerWaalsContact O-N 3.1Å; G9-T13 PolarHBondContact O-OG1 3.17Å
10	E	56.8	Low	62.1	Low	131 Å²	131	102.9 Å²	102.9	61%	0.612	52%	0.52	S	S	*	.	H	α-helix	trans	-68.1	-44	178	-75.3	165.2	79.6	0	0	111.9	F6 K12 T13 E14	F6-E10 PolarHBondContact O-N 3.25Å; E10-K12 VanDerWaalsContact C-N 3.35Å; E10-K12 PolarHBondContact O-N 3Å; E10-T13 PolarHBondContact O-N 3.32Å; E10-E14 WeakPolarHBondContact O-CB 3.43Å; E10-E14 PolarHBondContact O-N 2.81Å
11	Q	59.5	Low	63.3	Low	128 Å²	128	101.5 Å²	101.5	60%	0.598	51%	0.514	S	S	*	.	H	α-helix	trans	-63.6	-38	175.5	-80	172.6	82.5	0	0	113	S7 T13 R15	S7-Q11 WeakPolarHBondContact O-CB 3.46Å; S7-Q11 WeakPolarHBondContact O-CG 3.16Å; S7-Q11 PolarHBondContact O-N 2.98Å; S7-Q11 VanDerWaalsContact O-N 3.16Å; S7-Q11 PolarHBondContact O-NE2 2.69Å; S7-Q11 VanDerWaalsContact O-NE2 3.09Å; S7-Q11 PolarHBondContact OG-NE2 2.94Å; Q11-T13 VanDerWaalsContact C-N 3.35Å; Q11-R15 VanDerWaalsContact O-CB 3.27Å; Q11-R15 WeakPolarHBondContact O-CB 3.41Å; Q11-R15 PolarHBondContact O-N 3.32Å
12	K	60.5	Low	65.7	Low	146 Å²	146	90.7 Å²	90.7	64%	0.635	46%	0.462	S	S	*	.	H	α-helix	trans	-67.1	-38.6	178.1	-174.6	178.8	178.2	-177.2	0	111.7	A8 G9 E10 M16	A8-K12 VanDerWaalsContact O-CB 3.25Å; A8-K12 WeakPolarHBondContact O-CB 3.26Å; A8-K12 PolarHBondContact O-N 2.73Å; A8-K12 VanDerWaalsContact O-N 3.09Å; G9-K12 PolarHBondContact O-N 2.96Å; E10-K12 VanDerWaalsContact C-N 3.35Å; E10-K12 PolarHBondContact O-N 3Å; K12-M16 PolarHBondContact O-N 3.09Å; K12-M16 VanDerWaalsContact O-N 3.14Å
13	T	61.8	Low	67.6	Low	81 Å²	81	87 Å²	87	50%	0.497	44%	0.438	S	S	.	.	H	α-helix	trans	-68.9	-50.2	178.2	-53.1	0	0	0	0	110.4	G9 E10 Q11 R15 M16 D17	G9-T13 WeakPolarHBondContact O-CB 3.5Å; G9-T13 PolarHBondContact O-N 2.75Å; G9-T13 VanDerWaalsContact O-N 3.1Å; G9-T13 PolarHBondContact O-OG1 3.17Å; E10-T13 PolarHBondContact O-N 3.32Å; Q11-T13 VanDerWaalsContact C-N 3.35Å; T13-R15 PolarHBondContact O-N 3.33Å; T13-M16 PolarHBondContact O-N 2.71Å; T13-D17 PolarHBondContact O-N 3.08Å; T13-D17 VanDerWaalsContact O-OD2 3.07Å
14	E	67	Low	69.3	Low	113 Å²	113	81.5 Å²	81.5	53%	0.528	41%	0.408	S	S	.	.	H	α-helix	trans	-57.5	-36.8	176.5	-168.6	-165.9	92.9	0	0	112.3	E10 K18	E10-E14 WeakPolarHBondContact O-CB 3.43Å; E10-E14 PolarHBondContact O-N 2.81Å; E14-K18 WeakPolarHBondContact O-CG 3.19Å; E14-K18 PolarHBondContact O-N 2.74Å; E14-K18 VanDerWaalsContact O-N 3.12Å; E14-K18 IonicContact OE1-NZ 3.69Å; E14-K18 PolarHBondContact OE1-NZ 2.73Å
15	R	74.6	Confident	70.9	Confident	122 Å²	122	78.4 Å²	78.4	46%	0.46	39%	0.394	S	S	.	.	H	α-helix	trans	-67.3	-37.6	175.9	-168.2	176.7	-175.1	-158.5	-2.3	112.2	Q11 T13 V19 E131	Q11-R15 VanDerWaalsContact O-CB 3.27Å; Q11-R15 WeakPolarHBondContact O-CB 3.41Å; Q11-R15 PolarHBondContact O-N 3.32Å; T13-R15 PolarHBondContact O-N 3.33Å; R15-V19 VanDerWaalsContact O-CG2 3.25Å; R15-V19 WeakPolarHBondContact O-CG2 3.3Å; R15-V19 PolarHBondContact O-N 3.41Å; R15-E131 IonicContact CZ-OE1 3.72Å; R15-E131 IonicContact CZ-OE2 3.81Å; R15-E131 VanDerWaalsContact CZ-OE2 3.23Å; R15-E131 IonicContact NH1-OE2 2.67Å; R15-E131 PolarHBondContact NH1-OE2 3.48Å; R15-E131 IonicContact NH2-OE1 3.52Å; R15-E131 PolarHBondContact NH2-OE1 3.28Å; R15-E131 IonicContact NH2-OE2 2.72Å; R15-E131 PolarHBondContact NH2-OE2 3.32Å
16	M	78.8	Confident	72.5	Confident	58 Å²	58	72.3 Å²	72.3	29%	0.286	37%	0.366	S	S	.	.	H	α-helix	trans	-70.6	-38.5	176.9	-81.9	171.2	70.7	0	0	112.1	K12 T13 V19 G20	K12-M16 PolarHBondContact O-N 3.09Å; K12-M16 VanDerWaalsContact O-N 3.14Å; T13-M16 PolarHBondContact O-N 2.71Å; M16-V19 PolarHBondContact O-N 2.9Å; M16-G20 PolarHBondContact O-N 3.32Å
17	D	79.4	Confident	74.2	Confident	74 Å²	74	65.5 Å²	65.5	40%	0.396	34%	0.337	S	S	.	.	H	α-helix	trans	-60.4	-46.9	173.7	-76.1	-70	0	0	0	111.3	T13 V19 G20 D21	T13-D17 PolarHBondContact O-N 3.08Å; T13-D17 VanDerWaalsContact O-OD2 3.07Å; D17-V19 VanDerWaalsContact C-N 3.27Å; D17-V19 PolarHBondContact O-N 3.3Å; D17-G20 CarbonylContact O-C 3.32Å; D17-G20 WeakPolarHBondContact O-CA 3.23Å; D17-G20 PolarHBondContact O-N 3.31Å; D17-D21 PolarHBondContact O-N 3.11Å
18	K	84.9	Confident	75.6	Confident	106 Å²	106	63.9 Å²	63.9	46%	0.461	33%	0.326	S	S	.	.	H	α-helix	trans	-58.7	-36.6	175.9	-75.3	171.1	175.7	166.2	0	113.3	E14 A22	E14-K18 WeakPolarHBondContact O-CG 3.19Å; E14-K18 PolarHBondContact O-N 2.74Å; E14-K18 VanDerWaalsContact O-N 3.12Å; E14-K18 IonicContact OE1-NZ 3.69Å; E14-K18 PolarHBondContact OE1-NZ 2.73Å; K18-A22 WeakPolarHBondContact O-CB 3.45Å; K18-A22 PolarHBondContact O-N 2.89Å
19	V	87.3	Confident	76.9	Confident	9 Å²	9	64.4 Å²	64.4	6%	0.055	32%	0.317	C	S	.	.	H	α-helix	trans	-71.1	-35.7	176	174.4	0	0	0	0	110.6	R15 M16 D17 A22 L23 L125 F128 I142	R15-V19 VanDerWaalsContact O-CG2 3.25Å; R15-V19 WeakPolarHBondContact O-CG2 3.3Å; R15-V19 PolarHBondContact O-N 3.41Å; M16-V19 PolarHBondContact O-N 2.9Å; D17-V19 VanDerWaalsContact C-N 3.27Å; D17-V19 PolarHBondContact O-N 3.3Å; V19-A22 PolarHBondContact O-N 2.81Å; V19-L23 WeakPolarHBondContact O-CB 3.12Å; V19-L23 PolarHBondContact O-N 3.06Å; V19-L125 HydrophobicContact CG1-CD2 3.66Å; V19-F128 HydrophobicContact CG1-CB 4.27Å; V19-F128 HydrophobicContact CG1-CD1 3.85Å; V19-F128 HydrophobicContact CG1-CE1 4.29Å; V19-F128 HydrophobicContact CG1-CG 3.97Å; V19-F128 HydrophobicContact CG2-CB 4.14Å; V19-F128 HydrophobicContact CG2-CD2 4.08Å; V19-F128 HydrophobicContact CG2-CG 4.09Å; V19-I142 HydrophobicContact CG1-CD1 3.58Å; V19-I142 HydrophobicContact CG1-CG1 4.04Å; V19-I142 HydrophobicContact CG1-CG2 4.38Å
20	G	87.5	Confident	78.2	Confident	0 Å²	0	63 Å²	63	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.5	-48.8	171.7	0	0	0	0	0	112.7	M16 D17 A22 L23 E24	M16-G20 PolarHBondContact O-N 3.32Å; D17-G20 CarbonylContact O-C 3.32Å; D17-G20 WeakPolarHBondContact O-CA 3.23Å; D17-G20 PolarHBondContact O-N 3.31Å; G20-A22 VanDerWaalsContact C-N 3.3Å; G20-A22 PolarHBondContact O-N 2.91Å; G20-L23 WeakPolarHBondContact O-CB 3.37Å; G20-L23 PolarHBondContact O-N 3.46Å; G20-L23 VanDerWaalsContact O-N 3.16Å; G20-E24 PolarHBondContact O-N 2.97Å
21	D	86.8	Confident	79.2	Confident	74 Å²	74	57.8 Å²	57.8	40%	0.396	28%	0.278	S	S	.	.	H	α-helix	trans	-57.9	-43.4	174.4	-71.9	-57.4	0	0	0	111.3	D17 L23 E24 E25 P145	D17-D21 PolarHBondContact O-N 3.11Å; D21-L23 VanDerWaalsContact C-N 3.34Å; D21-L23 PolarHBondContact O-N 3.28Å; D21-E24 PolarHBondContact O-N 3.31Å; D21-E25 PolarHBondContact O-N 3.04Å; D21-P145 WeakPolarHBondContact OD1-CG 3.48Å
22	A	88.3	Confident	80.1	Confident	4 Å²	4	56.2 Å²	56.2	3%	0.033	28%	0.281	C	S	.	.	H	α-helix	trans	-64	-38	177.4	0	0	0	0	0	112.4	K18 V19 G20 V26 A121 L125	K18-A22 WeakPolarHBondContact O-CB 3.45Å; K18-A22 PolarHBondContact O-N 2.89Å; V19-A22 PolarHBondContact O-N 2.81Å; G20-A22 VanDerWaalsContact C-N 3.3Å; G20-A22 PolarHBondContact O-N 2.91Å; A22-V26 WeakPolarHBondContact O-CB 3.21Å; A22-V26 VanDerWaalsContact O-CG2 3.26Å; A22-V26 WeakPolarHBondContact O-CG2 3.02Å; A22-V26 PolarHBondContact O-N 3.48Å; A22-A121 HydrophobicContact CB-CB 3.85Å; A22-L125 HydrophobicContact CB-CG 4.42Å
23	L	86.8	Confident	80.8	Confident	13 Å²	13	53 Å²	53	7%	0.068	27%	0.269	C	S	.	.	H	α-helix	trans	-63.2	-46.6	175.4	-178.2	59.2	0	0	0	111.3	V19 G20 D21 V26 L27 L72 V74 L125 L144	V19-L23 WeakPolarHBondContact O-CB 3.12Å; V19-L23 PolarHBondContact O-N 3.06Å; G20-L23 WeakPolarHBondContact O-CB 3.37Å; G20-L23 PolarHBondContact O-N 3.46Å; G20-L23 VanDerWaalsContact O-N 3.16Å; D21-L23 VanDerWaalsContact C-N 3.34Å; D21-L23 PolarHBondContact O-N 3.28Å; L23-V26 PolarHBondContact O-N 3.36Å; L23-L27 HydrophobicContact CD1-CD1 4.06Å; L23-L27 HydrophobicContact CD1-CG 4.19Å; L23-L27 HydrophobicContact CG-CD1 3.91Å; L23-L27 HydrophobicContact CG-CG 4.45Å; L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 VanDerWaalsContact O-CG 3.24Å; L23-L27 WeakPolarHBondContact O-CG 3.5Å; L23-L27 PolarHBondContact O-N 2.87Å; L23-L72 HydrophobicContact CD1-CD1 4.38Å; L23-L72 HydrophobicContact CD1-CD2 4.03Å; L23-L72 HydrophobicContact CD2-CD1 3.74Å; L23-V74 HydrophobicContact CD2-CG2 3.85Å; L23-L125 HydrophobicContact CB-CD1 4.24Å; L23-L125 HydrophobicContact CB-CD2 3.88Å; L23-L125 HydrophobicContact CD1-CD1 4.09Å; L23-L125 HydrophobicContact CD1-CD2 4.23Å; L23-L144 HydrophobicContact CB-CD2 4.27Å; L23-L144 HydrophobicContact CD2-CD2 3.94Å; L23-L144 HydrophobicContact CG-CD2 4.14Å
24	E	85.5	Confident	81.2	Confident	47 Å²	47	60 Å²	60	22%	0.22	29%	0.286	C	S	.	.	H	α-helix	trans	-57.9	-49.6	176.3	-178.9	169.5	165	0	0	111.2	G20 D21 V26 L27 S28 L83 L144	G20-E24 PolarHBondContact O-N 2.97Å; D21-E24 PolarHBondContact O-N 3.31Å; E24-V26 VanDerWaalsContact C-N 3.33Å; E24-V26 PolarHBondContact O-N 2.88Å; E24-L27 PolarHBondContact O-N 3.39Å; E24-L27 VanDerWaalsContact O-N 3.16Å; E24-S28 PolarHBondContact O-N 3.28Å; E24-S28 PolarHBondContact O-OG 3.05Å; E24-L83 HydrophobicContact CB-CD1 4.33Å; E24-L83 HydrophobicContact CG-CD1 3.74Å; E24-L83 HydrophobicContact CG-CD2 3.64Å; E24-L83 HydrophobicContact CG-CG 4.32Å; E24-L144 HydrophobicContact CB-CD2 4.35Å
25	E	86.3	Confident	81.4	Confident	91 Å²	91	55.2 Å²	55.2	43%	0.425	27%	0.265	S	S	.	.	H	α-helix	trans	-59.8	-42.7	179.3	-171.6	-175.9	126.2	0	0	112.3	D21 K29	D21-E25 PolarHBondContact O-N 3.04Å; E25-K29 HydrophobicContact CG-CD 4.27Å; E25-K29 WeakPolarHBondContact O-CB 3.46Å; E25-K29 WeakPolarHBondContact O-CG 3.32Å; E25-K29 PolarHBondContact O-N 3.43Å; E25-K29 WeakPolarHBondContact OE1-CE 3.3Å; E25-K29 IonicContact OE1-NZ 2.79Å; E25-K29 PolarHBondContact OE1-NZ 3.44Å
26	V	84.8	Confident	81.2	Confident	12 Å²	12	50.5 Å²	50.5	7%	0.073	25%	0.248	C	C	.	.	H	α-helix	trans	-65.7	-41.8	177.7	169.8	0	0	0	0	111	A22 L23 E24 K29 A30 A121 L122 L125	A22-V26 WeakPolarHBondContact O-CB 3.21Å; A22-V26 VanDerWaalsContact O-CG2 3.26Å; A22-V26 WeakPolarHBondContact O-CG2 3.02Å; A22-V26 PolarHBondContact O-N 3.48Å; L23-V26 PolarHBondContact O-N 3.36Å; E24-V26 VanDerWaalsContact C-N 3.33Å; E24-V26 PolarHBondContact O-N 2.88Å; V26-K29 PolarHBondContact O-N 3.15Å; V26-A30 WeakPolarHBondContact O-CB 3.11Å; V26-A30 PolarHBondContact O-N 3.45Å; V26-A121 HydrophobicContact CG2-CB 3.87Å; V26-L122 HydrophobicContact CG1-CD1 4.02Å; V26-L122 HydrophobicContact CG2-CB 3.8Å; V26-L122 HydrophobicContact CG2-CG 4.48Å; V26-L125 HydrophobicContact CB-CD1 4.2Å; V26-L125 HydrophobicContact CG2-CD1 3.92Å
27	L	82.1	Confident	80.6	Confident	12 Å²	12	51 Å²	51	6%	0.063	26%	0.255	C	S	.	.	H	α-helix	trans	-65	-46	178.8	-73.3	171.2	0	0	0	111.4	L23 E24 A30 L31 L80 V107 V109	L23-L27 HydrophobicContact CD1-CD1 4.06Å; L23-L27 HydrophobicContact CD1-CG 4.19Å; L23-L27 HydrophobicContact CG-CD1 3.91Å; L23-L27 HydrophobicContact CG-CG 4.45Å; L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 VanDerWaalsContact O-CG 3.24Å; L23-L27 WeakPolarHBondContact O-CG 3.5Å; L23-L27 PolarHBondContact O-N 2.87Å; E24-L27 PolarHBondContact O-N 3.39Å; E24-L27 VanDerWaalsContact O-N 3.16Å; L27-A30 PolarHBondContact O-N 2.92Å; L27-L31 WeakPolarHBondContact O-CB 3.16Å; L27-L31 PolarHBondContact O-N 2.93Å; L27-L80 HydrophobicContact CD1-CD1 3.47Å; L27-L80 VanDerWaalsContact CD1-CD1 3.47Å; L27-V107 HydrophobicContact CD2-CG1 4.15Å; L27-V109 HydrophobicContact CD2-CG2 4.08Å
28	S	82.4	Confident	79.9	Confident	29 Å²	29	50.2 Å²	50.2	20%	0.203	25%	0.252	C	S	.	.	H	α-helix	trans	-60.9	-45.5	175.4	-60.6	0	0	0	0	111.7	E24 A30 L31 S32	E24-S28 PolarHBondContact O-N 3.28Å; E24-S28 PolarHBondContact O-OG 3.05Å; S28-A30 PolarHBondContact O-N 3.38Å; S28-L31 PolarHBondContact O-N 2.7Å; S28-S32 WeakPolarHBondContact O-CB 3.4Å; S28-S32 PolarHBondContact O-N 2.86Å
29	K	81.3	Confident	78.5	Confident	68 Å²	68	45.8 Å²	45.8	30%	0.296	24%	0.237	S	C	.	.	H	α-helix	trans	-60.6	-47.5	176	-79	174	173.8	173.3	0	112.1	E25 V26 L31 S32 Q33 D119	E25-K29 HydrophobicContact CG-CD 4.27Å; E25-K29 WeakPolarHBondContact O-CB 3.46Å; E25-K29 WeakPolarHBondContact O-CG 3.32Å; E25-K29 PolarHBondContact O-N 3.43Å; E25-K29 WeakPolarHBondContact OE1-CE 3.3Å; E25-K29 IonicContact OE1-NZ 2.79Å; E25-K29 PolarHBondContact OE1-NZ 3.44Å; V26-K29 PolarHBondContact O-N 3.15Å; K29-L31 VanDerWaalsContact C-N 3.3Å; K29-L31 PolarHBondContact O-N 3.35Å; K29-S32 PolarHBondContact O-N 3.06Å; K29-Q33 WeakPolarHBondContact O-CB 3.25Å; K29-Q33 WeakPolarHBondContact O-CG 3.43Å; K29-Q33 PolarHBondContact O-N 2.9Å; K29-D119 IonicContact NZ-OD1 2.75Å; K29-D119 PolarHBondContact NZ-OD1 3.23Å
30	A	78.9	Confident	76.8	Confident	5 Å²	5	47.8 Å²	47.8	4%	0.041	25%	0.249	C	C	.	.	H	α-helix	trans	-68.6	-32.7	-177.7	0	0	0	0	0	111.7	V26 L27 S28 Q33 R34 T35 I36 V109	V26-A30 WeakPolarHBondContact O-CB 3.11Å; V26-A30 PolarHBondContact O-N 3.45Å; L27-A30 PolarHBondContact O-N 2.92Å; S28-A30 PolarHBondContact O-N 3.38Å; A30-Q33 CarbonylContact O-C 3.49Å; A30-Q33 PolarHBondContact O-N 3.13Å; A30-R34 PolarHBondContact O-N 3.43Å; A30-T35 WeakPolarHBondContact CA-OG1 3.39Å; A30-T35 PolarHBondContact O-N 3.38Å; A30-T35 PolarHBondContact O-OG1 3.25Å; A30-I36 HydrophobicContact CB-CG2 3.22Å; A30-V109 HydrophobicContact CB-CG1 3.87Å
31	L	77.9	Confident	74.8	Confident	22 Å²	22	50.6 Å²	50.6	12%	0.115	26%	0.26	C	S	.	.	H	α-helix	trans	-67.1	-47.9	173.4	-175.8	44.9	0	0	0	111.3	L27 S28 K29 Q33 R34 I36 L84 E87	L27-L31 WeakPolarHBondContact O-CB 3.16Å; L27-L31 PolarHBondContact O-N 2.93Å; S28-L31 PolarHBondContact O-N 2.7Å; K29-L31 VanDerWaalsContact C-N 3.3Å; K29-L31 PolarHBondContact O-N 3.35Å; L31-Q33 PolarHBondContact O-N 2.8Å; L31-R34 PolarHBondContact O-N 3.17Å; L31-I36 HydrophobicContact CB-CD1 3.98Å; L31-I36 HydrophobicContact CB-CG1 4.49Å; L31-I36 HydrophobicContact CD1-CD1 3.76Å; L31-I36 HydrophobicContact CD1-CG1 4.09Å; L31-I36 HydrophobicContact CD2-CD1 4.38Å; L31-I36 HydrophobicContact CG-CD1 4.25Å; L31-L84 HydrophobicContact CD2-CD2 4.36Å; L31-E87 HydrophobicContact CD2-CB 3.56Å; L31-E87 HydrophobicContact CD2-CG 4.3Å; L31-E87 HydrophobicContact CG-CB 3.81Å
32	S	78.9	Confident	72.8	Confident	94 Å²	94	53.3 Å²	53.3	66%	0.657	27%	0.27	S	S	*	.	H	α-helix	trans	-55.5	-39.1	172.3	-174.2	0	0	0	0	112.6	S28 K29 R34	S28-S32 WeakPolarHBondContact O-CB 3.4Å; S28-S32 PolarHBondContact O-N 2.86Å; K29-S32 PolarHBondContact O-N 3.06Å; S32-R34 VanDerWaalsContact C-N 3.29Å; S32-R34 PolarHBondContact O-N 2.85Å
33	Q	74.9	Confident	70.6	Confident	79 Å²	79	55.9 Å²	55.9	37%	0.369	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-4.7	177.3	-67.2	173.9	6.4	0	0	114	K29 A30 L31 T35 Q116	K29-Q33 WeakPolarHBondContact O-CB 3.25Å; K29-Q33 WeakPolarHBondContact O-CG 3.43Å; K29-Q33 PolarHBondContact O-N 2.9Å; A30-Q33 CarbonylContact O-C 3.49Å; A30-Q33 PolarHBondContact O-N 3.13Å; L31-Q33 PolarHBondContact O-N 2.8Å; Q33-T35 HydrophobicContact CB-CG2 3.9Å; Q33-T35 PolarHBondContact O-N 3.32Å; Q33-Q116 VanDerWaalsContact OE1-CD 3.31Å; Q33-Q116 VanDerWaalsContact OE1-OE1 3.05Å
34	R	70.8	Confident	68.6	Low	228 Å²	228	56 Å²	56	86%	0.86	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	35.5	-172.1	-60.1	-170	176.1	-161.4	-1.7	113.5	A30 L31 S32	A30-R34 PolarHBondContact O-N 3.43Å; L31-R34 PolarHBondContact O-N 3.17Å; S32-R34 VanDerWaalsContact C-N 3.29Å; S32-R34 PolarHBondContact O-N 2.85Å
35	T	70.6	Confident	66.5	Low	13 Å²	13	58.4 Å²	58.4	8%	0.08	30%	0.304	C	S	.	.			trans	-98.5	1.4	177.4	55.4	0	0	0	0	112.4	A30 Q33 T110 P112	A30-T35 WeakPolarHBondContact CA-OG1 3.39Å; A30-T35 PolarHBondContact O-N 3.38Å; A30-T35 PolarHBondContact O-OG1 3.25Å; Q33-T35 HydrophobicContact CB-CG2 3.9Å; Q33-T35 PolarHBondContact O-N 3.32Å; T35-T110 VanDerWaalsContact CB-O 3.3Å; T35-T110 WeakPolarHBondContact CB-O 3.34Å; T35-T110 CarbonylContact O-C 3.58Å; T35-T110 PolarHBondContact O-N 3.25Å; T35-T110 PolarHBondContact O-OG1 3.27Å; T35-T110 VanDerWaalsContact O-OG1 3.07Å; T35-P112 HydrophobicContact CG2-CG 4.16Å
36	I	72.1	Confident	64.5	Low	23 Å²	23	61.2 Å²	61.2	12%	0.118	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	138.6	172.1	74.1	170.4	0	0	0	111.6	A30 L31 V38 L84 V107 V109	A30-I36 HydrophobicContact CB-CG2 3.22Å; L31-I36 HydrophobicContact CB-CD1 3.98Å; L31-I36 HydrophobicContact CB-CG1 4.49Å; L31-I36 HydrophobicContact CD1-CD1 3.76Å; L31-I36 HydrophobicContact CD1-CG1 4.09Å; L31-I36 HydrophobicContact CD2-CD1 4.38Å; L31-I36 HydrophobicContact CG-CD1 4.25Å; I36-V38 HydrophobicContact CD1-CG2 3.66Å; I36-V38 HydrophobicContact CG1-CG2 4.05Å; I36-L84 HydrophobicContact CD1-CD2 3.56Å; I36-V107 HydrophobicContact CB-CG1 4.02Å; I36-V107 HydrophobicContact CD1-CG1 4.11Å; I36-V107 HydrophobicContact CG2-CG1 4.46Å; I36-V109 HydrophobicContact CG2-CG1 4.46Å; I36-V109 HydrophobicContact CG2-CG2 4.06Å
37	T	66.1	Low	62.5	Low	68 Å²	68	66.3 Å²	66.3	42%	0.417	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	108.5	165.8	-55.9	0	0	0	0	107.6	V40 L108	T37-V40 HydrophobicContact CG2-CG2 4.34Å; T37-L108 PolarHBondContact N-O 3.4Å; T37-L108 PolarHBondContact O-N 3.49Å
38	V	64.2	Low	60.4	Low	57 Å²	57	71.2 Å²	71.2	35%	0.345	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	140.2	173.6	-179.2	0	0	0	0	108.4	I36 L84 L104	I36-V38 HydrophobicContact CD1-CG2 3.66Å; I36-V38 HydrophobicContact CG1-CG2 4.05Å; V38-L84 HydrophobicContact CG1-CD1 4.44Å; V38-L84 HydrophobicContact CG2-CD2 4.07Å; V38-L104 HydrophobicContact CG1-CD2 3.14Å
39	G	54.8	Low	58.4	Low	13 Å²	13	74.3 Å²	74.3	13%	0.134	39%	0.391	C	S	.	.			trans	87.8	28.1	172.5	0	0	0	0	0	114.8	Y41 E42 A43 C106	G39-Y41 PolarHBondContact O-N 3.3Å; G39-Y41 VanDerWaalsContact O-N 3.09Å; G39-E42 WeakPolarHBondContact O-CA 3.11Å; G39-E42 VanDerWaalsContact O-CB 3.26Å; G39-E42 WeakPolarHBondContact O-CB 3.46Å; G39-E42 PolarHBondContact O-N 3.04Å; G39-A43 PolarHBondContact O-N 2.8Å; G39-C106 PolarHBondContact N-O 2.92Å; G39-C106 VanDerWaalsContact N-O 3.11Å
40	V	52	Low	57.1	Low	52 Å²	52	77.3 Å²	77.3	32%	0.315	41%	0.41	S	S	.	.	H	α-helix	trans	-57.9	-26.2	170.7	-170	0	0	0	0	110.5	T37 E42 A43 A44 L108	T37-V40 HydrophobicContact CG2-CG2 4.34Å; V40-E42 VanDerWaalsContact C-N 3.35Å; V40-A43 WeakPolarHBondContact O-CB 3.34Å; V40-A43 PolarHBondContact O-N 3.42Å; V40-A44 PolarHBondContact O-N 2.73Å; V40-L108 HydrophobicContact CG2-CB 3.33Å; V40-L108 HydrophobicContact CG2-CD2 4.31Å; V40-L108 HydrophobicContact CG2-CG 4.45Å
41	Y	45.8	Very low	55.8	Low	59 Å²	59	82.2 Å²	82.2	23%	0.231	44%	0.439	C	S	.	.	H	α-helix	trans	-69.8	-27.5	171.9	-145.8	-105.1	0	0	0	113.5	G39 A44 K45 L53 F57	G39-Y41 PolarHBondContact O-N 3.3Å; G39-Y41 VanDerWaalsContact O-N 3.09Å; Y41-A44 CarbonylContact O-C 3.57Å; Y41-A44 PolarHBondContact O-N 2.79Å; Y41-K45 WeakPolarHBondContact O-CA 3.19Å; Y41-K45 WeakPolarHBondContact O-CB 3.24Å; Y41-K45 PolarHBondContact O-N 2.78Å; Y41-L53 HydrophobicContact CE1-CD1 4.17Å; Y41-L53 HydrophobicContact CE1-CD2 4.34Å; Y41-L53 HydrophobicContact CE2-CD1 4.17Å; Y41-L53 VanDerWaalsContact OH-CD1 3.32Å; Y41-L53 WeakPolarHBondContact OH-CD1 3.2Å; Y41-L53 WeakPolarHBondContact OH-CD2 3.41Å; Y41-L53 WeakPolarHBondContact OH-CG 3.4Å; Y41-F57 HydrophobicContact CD2-CZ 4.42Å; Y41-F57 HydrophobicContact CE2-CE1 4.1Å; Y41-F57 AromaticContact CE2-CE2 3.83Å; Y41-F57 HydrophobicContact CE2-CE2 3.83Å; Y41-F57 AromaticContact CE2-CZ 3.36Å; Y41-F57 HydrophobicContact CE2-CZ 3.36Å; Y41-F57 AromaticContact CZ-CE2 3.97Å; Y41-F57 AromaticContact CZ-CZ 3.85Å; Y41-F57 WeakPolarHBondContact OH-CE2 3.48Å; Y41-F57 WeakPolarHBondContact OH-CZ 3.28Å
42	E	44.5	Very low	54.6	Low	131 Å²	131	82.4 Å²	82.4	61%	0.612	45%	0.445	S	S	*	.	H	α-helix	trans	-69.8	-35.7	171.4	-122.5	171.3	178.7	0	0	111.2	G39 V40 A44 K45 L46	G39-E42 WeakPolarHBondContact O-CA 3.11Å; G39-E42 VanDerWaalsContact O-CB 3.26Å; G39-E42 WeakPolarHBondContact O-CB 3.46Å; G39-E42 PolarHBondContact O-N 3.04Å; V40-E42 VanDerWaalsContact C-N 3.35Å; E42-A44 VanDerWaalsContact C-N 3.35Å; E42-K45 PolarHBondContact O-N 2.91Å; E42-L46 PolarHBondContact O-N 3.35Å
43	A	43	Very low	53.6	Low	58 Å²	58	80.1 Å²	80.1	48%	0.479	42%	0.424	S	S	.	.	H	α-helix	trans	-66.3	-35.2	169	0	0	0	0	0	112.4	G39 V40	G39-A43 PolarHBondContact O-N 2.8Å; V40-A43 WeakPolarHBondContact O-CB 3.34Å; V40-A43 PolarHBondContact O-N 3.42Å
44	A	43.3	Very low	52.6	Low	15 Å²	15	83.3 Å²	83.3	12%	0.124	44%	0.439	C	S	.	.	H	α-helix	trans	-75.4	-30.8	172.3	0	0	0	0	0	113	V40 Y41 E42 L46 L47	V40-A44 PolarHBondContact O-N 2.73Å; Y41-A44 CarbonylContact O-C 3.57Å; Y41-A44 PolarHBondContact O-N 2.79Å; E42-A44 VanDerWaalsContact C-N 3.35Å; A44-L46 VanDerWaalsContact C-N 3.32Å; A44-L47 WeakPolarHBondContact O-CA 3.45Å; A44-L47 WeakPolarHBondContact O-CB 3.16Å; A44-L47 PolarHBondContact O-N 3.31Å
45	K	41.9	Very low	52.4	Low	97 Å²	97	77 Å²	77	42%	0.422	42%	0.422	S	S	.	.	H	α-helix	trans	-68.3	-32.5	175.9	-160.5	173.3	-174.4	-177	0	110.6	Y41 E42 L47 N48 D103	Y41-K45 WeakPolarHBondContact O-CA 3.19Å; Y41-K45 WeakPolarHBondContact O-CB 3.24Å; Y41-K45 PolarHBondContact O-N 2.78Å; E42-K45 PolarHBondContact O-N 2.91Å; K45-L47 PolarHBondContact O-N 2.85Å; K45-N48 PolarHBondContact O-N 3.26Å; K45-D103 IonicContact NZ-OD2 2.79Å; K45-D103 PolarHBondContact NZ-OD2 3.49Å
46	L	44.4	Very low	52	Low	151 Å²	151	78.9 Å²	78.9	79%	0.791	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-18	166.6	-85.5	160.1	0	0	0	113.9	E42 A44	E42-L46 PolarHBondContact O-N 3.35Å; A44-L46 VanDerWaalsContact C-N 3.32Å
47	L	43.3	Very low	51.7	Low	118 Å²	118	82.6 Å²	82.6	62%	0.618	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-0.2	176.8	-65.3	168.1	0	0	0	114.3	A44 K45	A44-L47 WeakPolarHBondContact O-CA 3.45Å; A44-L47 WeakPolarHBondContact O-CB 3.16Å; A44-L47 PolarHBondContact O-N 3.31Å; K45-L47 PolarHBondContact O-N 2.85Å
48	N	37.2	Very low	51.9	Low	115 Å²	115	83.9 Å²	83.9	62%	0.615	45%	0.453	S	S	*	.			trans	57.7	139.2	155.8	-145.2	18.3	0	0	0	121.5	K45	K45-N48 PolarHBondContact O-N 3.26Å
49	V	40.3	Very low	52.2	Low	94 Å²	94	86.3 Å²	86.3	57%	0.57	46%	0.463	S	S	*	.			trans	83.9	91.4	160.3	-158.4	0	0	0	0	118.6	V51 A52	V49-V51 VanDerWaalsContact C-N 3.3Å; V49-V51 PolarHBondContact O-N 3.07Å; V49-A52 WeakPolarHBondContact O-CA 3.41Å; V49-A52 WeakPolarHBondContact O-CB 3.2Å; V49-A52 PolarHBondContact O-N 3.47Å
50	D	53.7	Low	53	Low	131 Å²	131	89.1 Å²	89.1	70%	0.701	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	20.8	-51.2	155.4	-139.9	-15.6	0	0	0	120.9	L53	D50-L53 WeakPolarHBondContact O-CB 3.17Å
51	V	52.1	Low	53.8	Low	108 Å²	108	89.9 Å²	89.9	66%	0.655	48%	0.475	S	S	*	.	H	α-helix	trans	-79.2	-36.8	172.4	-159.5	0	0	0	0	111.6	V49 L53 Q54 I55	V49-V51 VanDerWaalsContact C-N 3.3Å; V49-V51 PolarHBondContact O-N 3.07Å; V51-L53 PolarHBondContact O-N 3.36Å; V51-Q54 PolarHBondContact O-N 2.89Å; V51-I55 PolarHBondContact O-N 3.47Å
52	A	53.7	Low	55.2	Low	27 Å²	27	89 Å²	89	22%	0.223	48%	0.48	C	S	.	.	H	α-helix	trans	-62.8	-31	169.4	0	0	0	0	0	110.6	V49 Q54 I55 H56	V49-A52 WeakPolarHBondContact O-CA 3.41Å; V49-A52 WeakPolarHBondContact O-CB 3.2Å; V49-A52 PolarHBondContact O-N 3.47Å; A52-Q54 VanDerWaalsContact C-N 3.35Å; A52-Q54 PolarHBondContact O-N 3.47Å; A52-I55 CarbonylContact O-C 3.59Å; A52-I55 PolarHBondContact O-N 2.99Å; A52-I55 VanDerWaalsContact O-N 3.13Å; A52-H56 VanDerWaalsContact O-CB 3.28Å; A52-H56 WeakPolarHBondContact O-CB 3.46Å; A52-H56 PolarHBondContact O-CD2 2.8Å; A52-H56 VanDerWaalsContact O-CG 3.32Å; A52-H56 PolarHBondContact O-N 3.09Å
53	L	56.3	Low	56.7	Low	45 Å²	45	88.3 Å²	88.3	24%	0.236	48%	0.475	C	S	.	.	H	α-helix	trans	-61	-42.9	179	-153.3	58.7	0	0	0	112.1	Y41 D50 V51 H56 F57	Y41-L53 HydrophobicContact CE1-CD1 4.17Å; Y41-L53 HydrophobicContact CE1-CD2 4.34Å; Y41-L53 HydrophobicContact CE2-CD1 4.17Å; Y41-L53 VanDerWaalsContact OH-CD1 3.32Å; Y41-L53 WeakPolarHBondContact OH-CD1 3.2Å; Y41-L53 WeakPolarHBondContact OH-CD2 3.41Å; Y41-L53 WeakPolarHBondContact OH-CG 3.4Å; D50-L53 WeakPolarHBondContact O-CB 3.17Å; V51-L53 PolarHBondContact O-N 3.36Å; L53-H56 PolarHBondContact O-N 2.95Å; L53-F57 HydrophobicContact CG-CD2 4.41Å; L53-F57 HydrophobicContact CG-CE2 4.12Å; L53-F57 WeakPolarHBondContact O-CD2 3.11Å; L53-F57 PolarHBondContact O-N 2.85Å
54	Q	55.3	Low	58.1	Low	146 Å²	146	86.2 Å²	86.2	68%	0.682	46%	0.456	S	S	*	.	H	α-helix	trans	-66.1	-38.5	173.9	-68.1	-167.4	-8.2	0	0	112.6	V51 A52 T58	V51-Q54 PolarHBondContact O-N 2.89Å; A52-Q54 VanDerWaalsContact C-N 3.35Å; A52-Q54 PolarHBondContact O-N 3.47Å; Q54-T58 PolarHBondContact O-N 2.86Å; Q54-T58 PolarHBondContact O-OG1 2.95Å
55	I	65.8	Low	59.3	Low	96 Å²	96	87.5 Å²	87.5	49%	0.492	46%	0.464	S	S	.	.	H	α-helix	trans	-66	-41.5	174.8	-63	169.4	0	0	0	110.3	V51 A52 T58 L59	V51-I55 PolarHBondContact O-N 3.47Å; A52-I55 CarbonylContact O-C 3.59Å; A52-I55 PolarHBondContact O-N 2.99Å; A52-I55 VanDerWaalsContact O-N 3.13Å; I55-T58 CarbonylContact O-C 3.57Å; I55-T58 WeakPolarHBondContact O-CB 3.27Å; I55-T58 PolarHBondContact O-N 3.39Å; I55-L59 HydrophobicContact CG2-CD1 3.96Å; I55-L59 HydrophobicContact CG2-CG 4.28Å; I55-L59 WeakPolarHBondContact O-CB 3.3Å; I55-L59 WeakPolarHBondContact O-CG 3.04Å; I55-L59 PolarHBondContact O-N 3.05Å
56	H	63.2	Low	61	Low	53 Å²	53	90.5 Å²	90.5	25%	0.245	48%	0.48	C	S	.	.	H	α-helix	trans	-68	-40	178.8	-79.2	-127.6	0	0	0	111	A52 L53 T58 L59 I60	A52-H56 VanDerWaalsContact O-CB 3.28Å; A52-H56 WeakPolarHBondContact O-CB 3.46Å; A52-H56 PolarHBondContact O-CD2 2.8Å; A52-H56 VanDerWaalsContact O-CG 3.32Å; A52-H56 PolarHBondContact O-N 3.09Å; L53-H56 PolarHBondContact O-N 2.95Å; H56-T58 VanDerWaalsContact C-N 3.27Å; H56-T58 PolarHBondContact O-N 2.85Å; H56-L59 PolarHBondContact O-N 2.97Å; H56-I60 WeakPolarHBondContact O-CB 3.26Å; H56-I60 WeakPolarHBondContact O-CD1 3.21Å; H56-I60 WeakPolarHBondContact O-CG1 3.3Å; H56-I60 PolarHBondContact O-N 3.42Å
57	F	65.5	Low	62.2	Low	101 Å²	101	87.4 Å²	87.4	44%	0.443	46%	0.464	S	S	.	.	H	α-helix	trans	-59.2	-42.2	170.3	-86.3	-65.1	0	0	0	111.6	Y41 L53 Q61	Y41-F57 HydrophobicContact CD2-CZ 4.42Å; Y41-F57 HydrophobicContact CE2-CE1 4.1Å; Y41-F57 AromaticContact CE2-CE2 3.83Å; Y41-F57 HydrophobicContact CE2-CE2 3.83Å; Y41-F57 AromaticContact CE2-CZ 3.36Å; Y41-F57 HydrophobicContact CE2-CZ 3.36Å; Y41-F57 AromaticContact CZ-CE2 3.97Å; Y41-F57 AromaticContact CZ-CZ 3.85Å; Y41-F57 WeakPolarHBondContact OH-CE2 3.48Å; Y41-F57 WeakPolarHBondContact OH-CZ 3.28Å; L53-F57 HydrophobicContact CG-CD2 4.41Å; L53-F57 HydrophobicContact CG-CE2 4.12Å; L53-F57 WeakPolarHBondContact O-CD2 3.11Å; L53-F57 PolarHBondContact O-N 2.85Å; F57-Q61 WeakPolarHBondContact O-CB 2.92Å; F57-Q61 PolarHBondContact O-N 2.96Å
58	T	69.1	Low	63.6	Low	95 Å²	95	87.1 Å²	87.1	58%	0.583	46%	0.463	S	S	*	.	H	α-helix	trans	-65	-44	177.3	-54.2	0	0	0	0	111.5	Q54 I55 H56 Q61 A62	Q54-T58 PolarHBondContact O-N 2.86Å; Q54-T58 PolarHBondContact O-OG1 2.95Å; I55-T58 CarbonylContact O-C 3.57Å; I55-T58 WeakPolarHBondContact O-CB 3.27Å; I55-T58 PolarHBondContact O-N 3.39Å; H56-T58 VanDerWaalsContact C-N 3.27Å; H56-T58 PolarHBondContact O-N 2.85Å; T58-Q61 PolarHBondContact O-N 2.87Å; T58-A62 VanDerWaalsContact O-CB 3.3Å; T58-A62 WeakPolarHBondContact O-CB 3.42Å; T58-A62 PolarHBondContact O-N 2.8Å
59	L	72.2	Confident	65.6	Low	107 Å²	107	84.5 Å²	84.5	56%	0.56	45%	0.448	S	S	*	.	H	α-helix	trans	-68.5	-40.7	177.7	-72.3	173.9	0	0	0	112.4	I55 H56 A62 F63	I55-L59 HydrophobicContact CG2-CD1 3.96Å; I55-L59 HydrophobicContact CG2-CG 4.28Å; I55-L59 WeakPolarHBondContact O-CB 3.3Å; I55-L59 WeakPolarHBondContact O-CG 3.04Å; I55-L59 PolarHBondContact O-N 3.05Å; H56-L59 PolarHBondContact O-N 2.97Å; L59-A62 PolarHBondContact O-N 3.48Å; L59-F63 WeakPolarHBondContact O-CB 3.36Å; L59-F63 PolarHBondContact O-N 3.21Å
60	I	70.9	Confident	67.5	Low	72 Å²	72	82.9 Å²	82.9	37%	0.369	44%	0.436	S	S	.	.	H	α-helix	trans	-66.3	-43.8	175.4	-72.5	164.8	0	0	0	109.3	H56 A62 F63 C64	H56-I60 WeakPolarHBondContact O-CB 3.26Å; H56-I60 WeakPolarHBondContact O-CD1 3.21Å; H56-I60 WeakPolarHBondContact O-CG1 3.3Å; H56-I60 PolarHBondContact O-N 3.42Å; I60-A62 VanDerWaalsContact C-N 3.33Å; I60-A62 PolarHBondContact O-N 3.47Å; I60-F63 PolarHBondContact O-N 2.77Å; I60-C64 WeakPolarHBondContact O-CB 3.25Å; I60-C64 PolarHBondContact O-N 3.4Å; I60-C64 PolarHBondContact O-SG 2.86Å
61	Q	68.3	Low	68.8	Low	69 Å²	69	78.7 Å²	78.7	32%	0.322	41%	0.414	S	S	.	.	H	α-helix	trans	-62.1	-42.2	175.6	-175.5	-179.6	-45.5	0	0	111.1	F57 T58 C65 W138	F57-Q61 WeakPolarHBondContact O-CB 2.92Å; F57-Q61 PolarHBondContact O-N 2.96Å; T58-Q61 PolarHBondContact O-N 2.87Å; Q61-C65 WeakPolarHBondContact O-CB 3.2Å; Q61-C65 PolarHBondContact O-N 3.47Å; Q61-W138 HydrophobicContact CG-CB 4.5Å
62	A	75.1	Confident	70.3	Confident	40 Å²	40	76 Å²	76	33%	0.331	40%	0.396	S	S	.	.	H	α-helix	trans	-63.9	-47.6	174.5	0	0	0	0	0	111.6	T58 L59 I60 C64 C65 E66	T58-A62 VanDerWaalsContact O-CB 3.3Å; T58-A62 WeakPolarHBondContact O-CB 3.42Å; T58-A62 PolarHBondContact O-N 2.8Å; L59-A62 PolarHBondContact O-N 3.48Å; I60-A62 VanDerWaalsContact C-N 3.33Å; I60-A62 PolarHBondContact O-N 3.47Å; A62-C64 PolarHBondContact O-N 2.92Å; A62-C65 CarbonylContact O-C 3.38Å; A62-C65 WeakPolarHBondContact O-CA 3.48Å; A62-C65 VanDerWaalsContact O-CB 3.29Å; A62-C65 WeakPolarHBondContact O-CB 3.48Å; A62-C65 PolarHBondContact O-N 2.76Å; A62-C65 VanDerWaalsContact O-N 3.1Å; A62-E66 WeakPolarHBondContact O-CG 3.34Å; A62-E66 PolarHBondContact O-N 3.34Å
63	F	75.3	Confident	71.7	Confident	116 Å²	116	82.6 Å²	82.6	51%	0.509	42%	0.415	S	S	.	.	H	α-helix	trans	-61	-47.6	177.3	178.6	-95.3	0	0	0	111.8	L59 I60 C65 E66 N67 I69	L59-F63 WeakPolarHBondContact O-CB 3.36Å; L59-F63 PolarHBondContact O-N 3.21Å; I60-F63 PolarHBondContact O-N 2.77Å; F63-C65 PolarHBondContact O-N 3.19Å; F63-E66 PolarHBondContact O-N 3.5Å; F63-N67 VanDerWaalsContact CD2-ND2 3.29Å; F63-N67 WeakPolarHBondContact CD2-ND2 3.37Å; F63-N67 WeakPolarHBondContact CE2-ND2 3.19Å; F63-N67 WeakPolarHBondContact CZ-ND2 3.39Å; F63-N67 WeakPolarHBondContact O-CB 3.29Å; F63-N67 PolarHBondContact O-N 3.23Å; F63-N67 PolarHBondContact O-ND2 3.34Å; F63-I69 HydrophobicContact CD1-CD1 4.24Å; F63-I69 HydrophobicContact CE1-CD1 3.83Å
64	C	72.9	Confident	73	Confident	14 Å²	14	81.8 Å²	81.8	10%	0.095	41%	0.411	C	S	.	.	H	α-helix	trans	-63	-32.3	175.7	-70.4	0	0	0	0	111.3	I60 A62 D68 I69	I60-C64 WeakPolarHBondContact O-CB 3.25Å; I60-C64 PolarHBondContact O-N 3.4Å; I60-C64 PolarHBondContact O-SG 2.86Å; A62-C64 PolarHBondContact O-N 2.92Å; C64-D68 PolarHBondContact O-N 2.8Å; C64-I69 HydrophobicContact CB-CB 3.87Å; C64-I69 HydrophobicContact CB-CG2 4.38Å; C64-I69 PolarHBondContact O-N 3.16Å
65	C	69.6	Low	74.3	Confident	42 Å²	42	77.5 Å²	77.5	28%	0.284	40%	0.398	S	S	.	.	H	α-helix	trans	-66.8	-46.6	172.4	-177.6	0	0	0	0	113.7	Q61 A62 F63 N67 R133 W138	Q61-C65 WeakPolarHBondContact O-CB 3.2Å; Q61-C65 PolarHBondContact O-N 3.47Å; A62-C65 CarbonylContact O-C 3.38Å; A62-C65 WeakPolarHBondContact O-CA 3.48Å; A62-C65 VanDerWaalsContact O-CB 3.29Å; A62-C65 WeakPolarHBondContact O-CB 3.48Å; A62-C65 PolarHBondContact O-N 2.76Å; A62-C65 VanDerWaalsContact O-N 3.1Å; F63-C65 PolarHBondContact O-N 3.19Å; C65-N67 VanDerWaalsContact C-N 3.29Å; C65-N67 PolarHBondContact O-N 2.92Å; C65-R133 VanDerWaalsContact CB-NH2 3.27Å; C65-R133 PolarHBondContact SG-NH2 3.02Å; C65-R133 VanDerWaalsContact SG-NH2 3.39Å; C65-W138 HydrophobicContact CB-CZ3 4.31Å; C65-W138 WeakPolarHBondContact SG-CZ3 3.39Å
66	E	77	Confident	75	Confident	160 Å²	160	74.3 Å²	74.3	75%	0.748	38%	0.381	S	S	*	.	H	α-helix	trans	-68.6	-30.2	-179.9	-70.6	174.5	-172.1	0	0	112.4	A62 F63	A62-E66 WeakPolarHBondContact O-CG 3.34Å; A62-E66 PolarHBondContact O-N 3.34Å; F63-E66 PolarHBondContact O-N 3.5Å
67	N	69.3	Low	75.5	Confident	86 Å²	86	74.5 Å²	74.5	46%	0.46	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	11.3	-176.9	-66.9	-85	0	0	0	114.3	F63 C65 I69	F63-N67 VanDerWaalsContact CD2-ND2 3.29Å; F63-N67 WeakPolarHBondContact CD2-ND2 3.37Å; F63-N67 WeakPolarHBondContact CE2-ND2 3.19Å; F63-N67 WeakPolarHBondContact CZ-ND2 3.39Å; F63-N67 WeakPolarHBondContact O-CB 3.29Å; F63-N67 PolarHBondContact O-N 3.23Å; F63-N67 PolarHBondContact O-ND2 3.34Å; C65-N67 VanDerWaalsContact C-N 3.29Å; C65-N67 PolarHBondContact O-N 2.92Å; N67-I69 HydrophobicContact CB-CD1 3.92Å; N67-I69 HydrophobicContact CB-CG1 3.92Å; N67-I69 PolarHBondContact O-N 3.35Å
68	D	73.8	Confident	76	Confident	113 Å²	113	71.9 Å²	71.9	60%	0.604	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	34.5	-176.7	-146.3	-104.1	0	0	0	113.6	C64	C64-D68 PolarHBondContact O-N 2.8Å
69	I	79	Confident	76.4	Confident	60 Å²	60	70.2 Å²	70.2	31%	0.308	37%	0.372	S	S	.	.			trans	-87	120.1	174.8	-54.6	173.2	0	0	0	107.8	F63 C64 N67	F63-I69 HydrophobicContact CD1-CD1 4.24Å; F63-I69 HydrophobicContact CE1-CD1 3.83Å; C64-I69 HydrophobicContact CB-CB 3.87Å; C64-I69 HydrophobicContact CB-CG2 4.38Å; C64-I69 PolarHBondContact O-N 3.16Å; N67-I69 HydrophobicContact CB-CD1 3.92Å; N67-I69 HydrophobicContact CB-CG1 3.92Å; N67-I69 PolarHBondContact O-N 3.35Å
70	N	80.4	Confident	76.7	Confident	59 Å²	59	65.8 Å²	65.8	32%	0.316	35%	0.349	S	S	.	.			trans	-73.9	129.1	177.5	-66	-70	0	0	0	110.2	C129	N70-C129 HydrophobicContact CB-CB 4.09Å; N70-C129 WeakPolarHBondContact OD1-CB 3.42Å
71	I	81	Confident	76.9	Confident	44 Å²	44	63.5 Å²	63.5	23%	0.226	34%	0.341	C	S	.	.			trans	-118.3	137.2	174.9	-171.5	169.8	0	0	0	108.7	W138 V139 P140	I71-W138 WeakPolarHBondContact CG2-O 3.5Å; I71-V139 HydrophobicContact CG1-CG1 4.39Å; I71-V139 HydrophobicContact CG2-CG2 4.03Å; I71-P140 WeakPolarHBondContact O-CD 3.48Å
72	L	82.7	Confident	77.4	Confident	52 Å²	52	64.7 Å²	64.7	27%	0.272	35%	0.346	S	S	.	.			trans	-139.5	153	175.6	65.5	90.4	0	0	0	109.5	L23 V74 L125 P140 I142	L23-L72 HydrophobicContact CD1-CD1 4.38Å; L23-L72 HydrophobicContact CD1-CD2 4.03Å; L23-L72 HydrophobicContact CD2-CD1 3.74Å; L72-V74 HydrophobicContact CD1-CG2 3.82Å; L72-L125 HydrophobicContact CD2-CD2 4.33Å; L72-P140 HydrophobicContact CB-CG 4.35Å; L72-I142 HydrophobicContact CB-CD1 4.22Å; L72-I142 HydrophobicContact CD1-CD1 4.29Å; L72-I142 HydrophobicContact CD2-CD1 4.13Å; L72-I142 HydrophobicContact CG-CD1 4.45Å
73	R	82.9	Confident	77.6	Confident	165 Å²	165	64.1 Å²	64.1	62%	0.623	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	132.1	175.3	178.9	175.3	-177.7	-179.8	1.8	109.4	V139 P140 V141 I142	R73-V139 HydrophobicContact CB-CG1 3.85Å; R73-P140 PolarHBondContact N-O 3.36Å; R73-V141 HydrophobicContact CB-CG2 4.2Å; R73-V141 HydrophobicContact CG-CG2 4.48Å; R73-V141 CarbonylContact O-C 3.53Å; R73-V141 VanDerWaalsContact O-CA 3.25Å; R73-V141 WeakPolarHBondContact O-CA 3.44Å; R73-I142 PolarHBondContact O-N 3.04Å
74	V	82.9	Confident	77.6	Confident	27 Å²	27	58.9 Å²	58.9	16%	0.164	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	129.3	172.3	-178.6	0	0	0	0	108.8	L23 L72 N76 I142 L144	L23-V74 HydrophobicContact CD2-CG2 3.85Å; L72-V74 HydrophobicContact CD1-CG2 3.82Å; V74-N76 VanDerWaalsContact CG1-OD1 3.26Å; V74-N76 WeakPolarHBondContact CG1-OD1 3.45Å; V74-I142 WeakPolarHBondContact CA-O 3.46Å; V74-L144 HydrophobicContact CG1-CD1 3.71Å; V74-L144 HydrophobicContact CG1-CG 3.9Å
75	S	82.7	Confident	77.4	Confident	57 Å²	57	63.7 Å²	63.7	40%	0.399	34%	0.339	S	S	.	.	S	Bend	trans	-72.6	-32.7	177.8	-59.7	0	0	0	0	113.2	P77 V141 I142 N143	S75-P77 VanDerWaalsContact C-CD 3.48Å; S75-P77 WeakPolarHBondContact O-CD 3.36Å; S75-V141 WeakPolarHBondContact OG-CG1 3.42Å; S75-I142 PolarHBondContact N-O 3.17Å; S75-N143 WeakPolarHBondContact CB-OD1 3.19Å; S75-N143 PolarHBondContact OG-OD1 3.35Å
76	N	82	Confident	77.2	Confident	28 Å²	28	68.8 Å²	68.8	15%	0.15	36%	0.362	C	S	.	.			trans	-111.7	78.9	-174.1	55.4	-23.5	0	0	0	111.5	V74 G78 R79 L144	V74-N76 VanDerWaalsContact CG1-OD1 3.26Å; V74-N76 WeakPolarHBondContact CG1-OD1 3.45Å; N76-G78 PolarHBondContact O-N 3.18Å; N76-R79 PolarHBondContact O-N 3.5Å; N76-L144 PolarHBondContact ND2-O 2.99Å; N76-L144 PolarHBondContact OD1-N 3.09Å
77	P	72.6	Confident	76.2	Confident	58 Å²	58	65.6 Å²	65.6	38%	0.377	35%	0.348	S	S	.	.	H	α-helix	trans	-66	-22.3	-178.9	28.1	-36.1	0	0	0	113.3	S75 R79 L80 A81	S75-P77 VanDerWaalsContact C-CD 3.48Å; S75-P77 WeakPolarHBondContact O-CD 3.36Å; P77-R79 PolarHBondContact O-N 3.38Å; P77-L80 PolarHBondContact O-N 2.81Å; P77-A81 WeakPolarHBondContact O-CB 3.37Å; P77-A81 PolarHBondContact O-N 3.01Å
78	G	75.8	Confident	75.5	Confident	46 Å²	46	64.5 Å²	64.5	47%	0.474	34%	0.344	S	S	.	.	H	α-helix	trans	-60.4	-43.2	175.4	0	0	0	0	0	112.6	N76 A81 E82	N76-G78 PolarHBondContact O-N 3.18Å; G78-A81 PolarHBondContact O-N 3.32Å; G78-E82 PolarHBondContact O-N 2.89Å
79	R	78.7	Confident	74	Confident	59 Å²	59	66.9 Å²	66.9	22%	0.223	36%	0.357	C	S	.	.	H	α-helix	trans	-68.1	-39.1	175.9	-69.3	-61.7	-64.7	-170.3	-18.8	112.5	N76 P77 A81 E82 L83 L144 R147	N76-R79 PolarHBondContact O-N 3.5Å; P77-R79 PolarHBondContact O-N 3.38Å; R79-A81 VanDerWaalsContact C-N 3.3Å; R79-A81 PolarHBondContact O-N 2.92Å; R79-E82 WeakPolarHBondContact CD-OE2 3.29Å; R79-E82 IonicContact CZ-OE2 2.68Å; R79-E82 IonicContact NE-OE2 3.23Å; R79-E82 IonicContact NH1-OE2 2.83Å; R79-E82 PolarHBondContact NH1-OE2 3.02Å; R79-E82 PolarHBondContact O-N 3.16Å; R79-L83 PolarHBondContact O-N 3.09Å; R79-L144 HydrophobicContact CB-CB 4.33Å; R79-L144 HydrophobicContact CB-CD1 4.17Å; R79-R147 PolarHBondContact NH1-O 3.47Å; R79-R147 PolarHBondContact NH2-O 2.97Å
80	L	77.4	Confident	72.2	Confident	14 Å²	14	67.7 Å²	67.7	7%	0.073	37%	0.373	C	S	.	.	H	α-helix	trans	-60.3	-42.9	173.8	-175.5	68.7	0	0	0	111.1	L27 P77 L83 L84 V107 L144	L27-L80 HydrophobicContact CD1-CD1 3.47Å; L27-L80 VanDerWaalsContact CD1-CD1 3.47Å; P77-L80 PolarHBondContact O-N 2.81Å; L80-L83 PolarHBondContact O-N 2.78Å; L80-L84 HydrophobicContact CG-CD1 4.12Å; L80-L84 VanDerWaalsContact O-CG 3.25Å; L80-L84 WeakPolarHBondContact O-CG 3.43Å; L80-L84 PolarHBondContact O-N 3.41Å; L80-V107 HydrophobicContact CD2-CG2 4.37Å; L80-L144 HydrophobicContact CB-CD1 3.92Å; L80-L144 HydrophobicContact CD1-CD1 4.27Å
81	A	75.9	Confident	70	Confident	24 Å²	24	67.6 Å²	67.6	20%	0.198	39%	0.386	C	S	.	.	H	α-helix	trans	-63.4	-42.7	177.1	0	0	0	0	0	111.9	P77 G78 R79 L83 L84 L85 L104	P77-A81 WeakPolarHBondContact O-CB 3.37Å; P77-A81 PolarHBondContact O-N 3.01Å; G78-A81 PolarHBondContact O-N 3.32Å; R79-A81 VanDerWaalsContact C-N 3.3Å; R79-A81 PolarHBondContact O-N 2.92Å; A81-L83 PolarHBondContact O-N 3.33Å; A81-L84 PolarHBondContact O-N 2.96Å; A81-L85 VanDerWaalsContact O-CB 3.3Å; A81-L85 WeakPolarHBondContact O-CB 3.37Å; A81-L85 WeakPolarHBondContact O-CG 3.5Å; A81-L85 PolarHBondContact O-N 2.96Å; A81-L104 HydrophobicContact CB-CD1 4.11Å
82	E	78.6	Confident	68	Low	94 Å²	94	71.6 Å²	71.6	44%	0.439	41%	0.414	S	S	.	.	H	α-helix	trans	-57.5	-47.4	174	-73.1	172.9	-174.6	0	0	111.9	G78 R79 L84 L85 L86	G78-E82 PolarHBondContact O-N 2.89Å; R79-E82 WeakPolarHBondContact CD-OE2 3.29Å; R79-E82 IonicContact CZ-OE2 2.68Å; R79-E82 IonicContact NE-OE2 3.23Å; R79-E82 IonicContact NH1-OE2 2.83Å; R79-E82 PolarHBondContact NH1-OE2 3.02Å; R79-E82 PolarHBondContact O-N 3.16Å; E82-L84 PolarHBondContact O-N 2.98Å; E82-L85 PolarHBondContact O-N 3.46Å; E82-L86 WeakPolarHBondContact O-CB 3.26Å; E82-L86 VanDerWaalsContact O-CD1 3.3Å; E82-L86 WeakPolarHBondContact O-CD1 3.37Å; E82-L86 PolarHBondContact O-N 2.86Å
83	L	78.4	Confident	65.8	Low	28 Å²	28	74 Å²	74	15%	0.147	44%	0.442	C	S	.	.	H	α-helix	trans	-59.2	-43.5	176.8	-86.1	158	0	0	0	112.8	E24 R79 L80 A81 L144	E24-L83 HydrophobicContact CB-CD1 4.33Å; E24-L83 HydrophobicContact CG-CD1 3.74Å; E24-L83 HydrophobicContact CG-CD2 3.64Å; E24-L83 HydrophobicContact CG-CG 4.32Å; R79-L83 PolarHBondContact O-N 3.09Å; L80-L83 PolarHBondContact O-N 2.78Å; A81-L83 PolarHBondContact O-N 3.33Å; L83-L144 HydrophobicContact CD1-CD1 4.28Å
84	L	75.4	Confident	63.7	Low	6 Å²	6	70 Å²	70	3%	0.031	44%	0.444	C	S	.	.	H	α-helix	trans	-70	-35.3	179.1	-66.7	171.8	0	0	0	112.3	L31 I36 V38 L80 A81 E82 T88 L104 V107	L31-L84 HydrophobicContact CD2-CD2 4.36Å; I36-L84 HydrophobicContact CD1-CD2 3.56Å; V38-L84 HydrophobicContact CG1-CD1 4.44Å; V38-L84 HydrophobicContact CG2-CD2 4.07Å; L80-L84 HydrophobicContact CG-CD1 4.12Å; L80-L84 VanDerWaalsContact O-CG 3.25Å; L80-L84 WeakPolarHBondContact O-CG 3.43Å; L80-L84 PolarHBondContact O-N 3.41Å; A81-L84 PolarHBondContact O-N 2.96Å; E82-L84 PolarHBondContact O-N 2.98Å; L84-T88 VanDerWaalsContact O-CB 3.23Å; L84-T88 WeakPolarHBondContact O-CB 3.49Å; L84-T88 PolarHBondContact O-N 3.26Å; L84-T88 PolarHBondContact O-OG1 2.85Å; L84-L104 HydrophobicContact CD1-CB 4.34Å; L84-L104 HydrophobicContact CD1-CD2 4.25Å; L84-V107 HydrophobicContact CD1-CG2 3.65Å; L84-V107 HydrophobicContact CD2-CG2 4.17Å
85	L	69.8	Low	61.5	Low	115 Å²	115	74.3 Å²	74.3	60%	0.602	48%	0.475	S	S	*	.	H	α-helix	trans	-75.4	-32.9	178.3	-72.7	171.1	0	0	0	112.6	A81 E82	A81-L85 VanDerWaalsContact O-CB 3.3Å; A81-L85 WeakPolarHBondContact O-CB 3.37Å; A81-L85 WeakPolarHBondContact O-CG 3.5Å; A81-L85 PolarHBondContact O-N 2.96Å; E82-L85 PolarHBondContact O-N 3.46Å
86	L	64.1	Low	59.6	Low	149 Å²	149	81 Å²	81	78%	0.78	50%	0.5	S	S	*	.	H	α-helix	trans	-67.2	-34.8	-178.3	-109	105.5	0	0	0	113.5	E82	E82-L86 WeakPolarHBondContact O-CB 3.26Å; E82-L86 VanDerWaalsContact O-CD1 3.3Å; E82-L86 WeakPolarHBondContact O-CD1 3.37Å; E82-L86 PolarHBondContact O-N 2.86Å
87	E	57.1	Low	57.2	Low	94 Å²	94	82.6 Å²	82.6	44%	0.439	52%	0.523	S	S	.	.	H	α-helix	trans	-108.2	-5.8	-177.7	-47.4	-155	163.2	0	0	114.6	L31 D89	L31-E87 HydrophobicContact CD2-CB 3.56Å; L31-E87 HydrophobicContact CD2-CG 4.3Å; L31-E87 HydrophobicContact CG-CB 3.81Å; E87-D89 VanDerWaalsContact C-N 3.34Å; E87-D89 PolarHBondContact O-N 3.1Å; E87-D89 VanDerWaalsContact O-N 3.08Å
88	T	54.2	Low	55.8	Low	62 Å²	62	84 Å²	84	38%	0.38	54%	0.541	S	S	.	.			trans	-81.2	83.1	168.1	-57.8	0	0	0	0	109.2	L84 A90	L84-T88 VanDerWaalsContact O-CB 3.23Å; L84-T88 WeakPolarHBondContact O-CB 3.49Å; L84-T88 PolarHBondContact O-N 3.26Å; L84-T88 PolarHBondContact O-OG1 2.85Å; T88-A90 HydrophobicContact CG2-CB 3.55Å; T88-A90 PolarHBondContact O-N 3.39Å
89	D	42.5	Very low	54.2	Low	163 Å²	163	90.4 Å²	90.4	87%	0.872	56%	0.558	S	S	*	*			trans	-68.9	21.3	164.4	-167.7	-119.4	0	0	0	112.2	E87 G91	E87-D89 VanDerWaalsContact C-N 3.34Å; E87-D89 PolarHBondContact O-N 3.1Å; E87-D89 VanDerWaalsContact O-N 3.08Å; D89-G91 PolarHBondContact O-N 3.46Å; D89-G91 VanDerWaalsContact O-N 3.16Å
90	A	41.8	Very low	52.2	Low	78 Å²	78	94.7 Å²	94.7	65%	0.645	58%	0.581	S	S	*	*			trans	-78	102.5	166	0	0	0	0	0	106.8	T88	T88-A90 HydrophobicContact CG2-CB 3.55Å; T88-A90 PolarHBondContact O-N 3.39Å
91	G	33.5	Very low	50.6	Low	57 Å²	57	98.9 Å²	98.9	59%	0.588	61%	0.608	S	S	*	*			trans	-48.7	172.8	-179.5	0	0	0	0	0	114.8	D89 A93	D89-G91 PolarHBondContact O-N 3.46Å; D89-G91 VanDerWaalsContact O-N 3.16Å; G91-A93 PolarHBondContact O-N 3.23Å
92	P	38.2	Very low	49.3	Very low	127 Å²	127	102.2 Å²	102.2	83%	0.825	63%	0.628	S	S	*	*			trans	-60.5	107.7	-170.2	29	-33.2	0	0	0	108.4	A94	P92-A94 PolarHBondContact O-N 2.84Å
93	A	37.2	Very low	48	Very low	103 Å²	103	100.1 Å²	100.1	85%	0.851	62%	0.62	S	S	*	*			trans	-65.7	87	152	0	0	0	0	0	105	G91 S95	G91-A93 PolarHBondContact O-N 3.23Å; A93-S95 VanDerWaalsContact C-N 3.28Å; A93-S95 PolarHBondContact O-N 3.18Å
94	A	39.3	Very low	47.1	Very low	82 Å²	82	100.2 Å²	100.2	68%	0.678	62%	0.621	S	S	*	*			trans	-55.6	97.2	166.4	0	0	0	0	0	107.5	P92	P92-A94 PolarHBondContact O-N 2.84Å
95	S	36	Very low	46.4	Very low	116 Å²	116	105.7 Å²	105.7	81%	0.811	65%	0.645	S	S	*	*			trans	-100.8	84.4	141.5	-105.2	0	0	0	0	106.1	A93 G97	A93-S95 VanDerWaalsContact C-N 3.28Å; A93-S95 PolarHBondContact O-N 3.18Å; S95-G97 PolarHBondContact O-N 3.16Å
96	E	43.4	Very low	46.3	Very low	197 Å²	197	102.5 Å²	102.5	92%	0.921	63%	0.632	S	S	*	*			trans	-66.3	104.5	156.1	-67.1	-156.7	114.8	0	0	107.2
97	G	31.9	Very low	46.7	Very low	62 Å²	62	96.9 Å²	96.9	64%	0.639	60%	0.604	S	S	*	*	S	Bend	trans	158.7	104.8	-180	0	0	0	0	0	108.1	S95	S95-G97 PolarHBondContact O-N 3.16Å
98	A	42.3	Very low	47.7	Very low	89 Å²	89	95.8 Å²	95.8	74%	0.736	60%	0.601	S	S	*	*	S	Bend	trans	-8.3	138.2	173.3	0	0	0	0	0	118
99	E	42	Very low	48.6	Very low	180 Å²	180	95 Å²	95	84%	0.841	60%	0.596	S	S	*	*			trans	109.2	103.4	156.1	-55.3	-177.8	98	0	0	117
100	Q	37.2	Very low	50	Low	149 Å²	149	90.2 Å²	90.2	70%	0.696	57%	0.573	S	S	*	*			trans	80.3	130.7	157.7	-56.7	178.5	-78.4	0	0	118
101	P	44.1	Very low	51.2	Low	101 Å²	101	87.9 Å²	87.9	66%	0.656	55%	0.549	S	S	*	.			trans	-57.8	150.9	171.2	26.6	-32.7	0	0	0	109.3	D103	P101-D103 PolarHBondContact O-N 3.03Å
102	P	47.5	Very low	52.5	Low	94 Å²	94	89.8 Å²	89.8	61%	0.61	55%	0.551	S	S	*	*			trans	-54.4	116.8	176.2	24	-32.8	0	0	0	108	L104	P102-L104 HydrophobicContact CB-CG 4.25Å; P102-L104 HydrophobicContact CG-CD1 4.37Å; P102-L104 HydrophobicContact CG-CG 4.45Å; P102-L104 PolarHBondContact O-N 3.46Å
103	D	52.7	Low	53.4	Low	51 Å²	51	89.4 Å²	89.4	27%	0.273	54%	0.539	S	S	.	.			trans	-69.8	70.9	-176.9	-74.6	-25.2	0	0	0	108.9	K45 P101 H105	K45-D103 IonicContact NZ-OD2 2.79Å; K45-D103 PolarHBondContact NZ-OD2 3.49Å; P101-D103 PolarHBondContact O-N 3.03Å; D103-H105 PolarHBondContact O-N 3.34Å; D103-H105 IonicContact OD1-NE2 2.78Å
104	L	58.2	Low	54.3	Low	30 Å²	30	89.1 Å²	89.1	16%	0.157	53%	0.53	C	S	.	.			trans	-74	49.4	-179.5	-67.1	169.8	0	0	0	111.2	V38 A81 L84 P102	V38-L104 HydrophobicContact CG1-CD2 3.14Å; A81-L104 HydrophobicContact CB-CD1 4.11Å; L84-L104 HydrophobicContact CD1-CB 4.34Å; L84-L104 HydrophobicContact CD1-CD2 4.25Å; P102-L104 HydrophobicContact CB-CG 4.25Å; P102-L104 HydrophobicContact CG-CD1 4.37Å; P102-L104 HydrophobicContact CG-CG 4.45Å; P102-L104 PolarHBondContact O-N 3.46Å
105	H	61.9	Low	55.2	Low	120 Å²	120	89.2 Å²	89.2	56%	0.556	53%	0.526	S	S	*	.			trans	-87.7	-10.1	-172.8	-64.9	-48	0	0	0	113.8	D103	D103-H105 PolarHBondContact O-N 3.34Å; D103-H105 IonicContact OD1-NE2 2.78Å
106	C	66.3	Low	56.3	Low	48 Å²	48	86.2 Å²	86.2	32%	0.324	50%	0.499	S	S	.	.			trans	-150.1	135.2	-179.2	-171.6	0	0	0	0	111.6	G39	G39-C106 PolarHBondContact N-O 2.92Å; G39-C106 VanDerWaalsContact N-O 3.11Å
107	V	74	Confident	57.3	Low	32 Å²	32	82.2 Å²	82.2	19%	0.194	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	131.1	175	-175.9	0	0	0	0	107.6	L27 I36 L80 L84	L27-V107 HydrophobicContact CD2-CG1 4.15Å; I36-V107 HydrophobicContact CB-CG1 4.02Å; I36-V107 HydrophobicContact CD1-CG1 4.11Å; I36-V107 HydrophobicContact CG2-CG1 4.46Å; L80-V107 HydrophobicContact CD2-CG2 4.37Å; L84-V107 HydrophobicContact CD1-CG2 3.65Å; L84-V107 HydrophobicContact CD2-CG2 4.17Å
108	L	76.6	Confident	58.9	Low	71 Å²	71	87.5 Å²	87.5	37%	0.372	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	121.9	169.2	178.7	71.5	0	0	0	108.7	T37 V40 T110	T37-L108 PolarHBondContact N-O 3.4Å; T37-L108 PolarHBondContact O-N 3.49Å; V40-L108 HydrophobicContact CG2-CB 3.33Å; V40-L108 HydrophobicContact CG2-CD2 4.31Å; V40-L108 HydrophobicContact CG2-CG 4.45Å; L108-T110 HydrophobicContact CD2-CG2 3.56Å; L108-T110 HydrophobicContact CG-CG2 3.71Å
109	V	74.7	Confident	60.7	Low	46 Å²	46	85.1 Å²	85.1	28%	0.279	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	109.7	174	-176.5	0	0	0	0	107.9	L27 A30 I36	L27-V109 HydrophobicContact CD2-CG2 4.08Å; A30-V109 HydrophobicContact CB-CG1 3.87Å; I36-V109 HydrophobicContact CG2-CG1 4.46Å; I36-V109 HydrophobicContact CG2-CG2 4.06Å
110	T	71.5	Confident	62.8	Low	62 Å²	62	80.8 Å²	80.8	38%	0.38	44%	0.444	S	S	.	.			trans	-112.4	105.9	178.3	55.2	0	0	0	0	109.5	T35 L108 P112	T35-T110 VanDerWaalsContact CB-O 3.3Å; T35-T110 WeakPolarHBondContact CB-O 3.34Å; T35-T110 CarbonylContact O-C 3.58Å; T35-T110 PolarHBondContact O-N 3.25Å; T35-T110 PolarHBondContact O-OG1 3.27Å; T35-T110 VanDerWaalsContact O-OG1 3.07Å; L108-T110 HydrophobicContact CD2-CG2 3.56Å; L108-T110 HydrophobicContact CG-CG2 3.71Å; T110-P112 VanDerWaalsContact O-CD 3.27Å; T110-P112 WeakPolarHBondContact O-CD 3.39Å
111	N	66.9	Low	65.1	Low	28 Å²	28	74 Å²	74	15%	0.15	41%	0.413	C	S	.	.			trans	-98	112.4	-179.3	172.7	22.6	0	0	0	111.4	H113 Q116 W117	N111-H113 VanDerWaalsContact C-N 3.25Å; N111-H113 VanDerWaalsContact CG-O 3.27Å; N111-H113 PolarHBondContact ND2-O 2.96Å; N111-H113 PolarHBondContact O-N 3.4Å; N111-H113 PolarHBondContact OD1-N 2.68Å; N111-H113 PolarHBondContact OD1-O 3.35Å; N111-H113 VanDerWaalsContact OD1-O 3.05Å; N111-Q116 WeakPolarHBondContact ND2-CB 3.42Å; N111-Q116 PolarHBondContact OD1-NE2 3.05Å; N111-Q116 VanDerWaalsContact OD1-NE2 3.09Å; N111-W117 HydrophobicContact CB-CZ2 4.27Å; N111-W117 PolarHBondContact ND2-N 3.19Å; N111-W117 PolarHBondContact ND2-NE1 2.94Å; N111-W117 VanDerWaalsContact ND2-NE1 3.18Å
112	P	60.2	Low	67	Low	97 Å²	97	70.1 Å²	70.1	63%	0.63	39%	0.386	S	S	*	.	S	Bend	trans	-73.5	-14.5	179.2	30.2	-34.3	0	0	0	113.3	T35 T110	T35-P112 HydrophobicContact CG2-CG 4.16Å; T110-P112 VanDerWaalsContact O-CD 3.27Å; T110-P112 WeakPolarHBondContact O-CD 3.39Å
113	H	56.7	Low	68.8	Low	120 Å²	120	68.4 Å²	68.4	56%	0.556	38%	0.376	S	S	*	.			trans	-113.1	101.2	-179.7	-60.5	-64.1	0	0	0	110.5	N111 S115 Q116	N111-H113 VanDerWaalsContact C-N 3.25Å; N111-H113 VanDerWaalsContact CG-O 3.27Å; N111-H113 PolarHBondContact ND2-O 2.96Å; N111-H113 PolarHBondContact O-N 3.4Å; N111-H113 PolarHBondContact OD1-N 2.68Å; N111-H113 PolarHBondContact OD1-O 3.35Å; N111-H113 VanDerWaalsContact OD1-O 3.05Å; H113-S115 PolarHBondContact O-N 2.92Å; H113-Q116 HydrophobicContact CB-CG 4.24Å; H113-Q116 PolarHBondContact O-N 3.14Å
114	S	56.3	Low	70.4	Confident	97 Å²	97	70.9 Å²	70.9	68%	0.678	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-48.9	-28	-179.2	58.8	0	0	0	0	114.5	Q116 W117	S114-Q116 VanDerWaalsContact C-N 3.29Å; S114-Q116 PolarHBondContact O-N 2.95Å; S114-W117 PolarHBondContact O-N 3.25Å
115	S	58.4	Low	71.8	Confident	84 Å²	84	70.1 Å²	70.1	59%	0.587	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-62.5	-27	178.3	-51.3	0	0	0	0	114.9	H113	H113-S115 PolarHBondContact O-N 2.92Å
116	Q	59.1	Low	72.9	Confident	53 Å²	53	67 Å²	67	25%	0.248	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-87.8	-7	-176.6	-43.9	-179.3	104.4	0	0	113	Q33 N111 H113 S114 K118 D119	Q33-Q116 VanDerWaalsContact OE1-CD 3.31Å; Q33-Q116 VanDerWaalsContact OE1-OE1 3.05Å; N111-Q116 WeakPolarHBondContact ND2-CB 3.42Å; N111-Q116 PolarHBondContact OD1-NE2 3.05Å; N111-Q116 VanDerWaalsContact OD1-NE2 3.09Å; H113-Q116 HydrophobicContact CB-CG 4.24Å; H113-Q116 PolarHBondContact O-N 3.14Å; S114-Q116 VanDerWaalsContact C-N 3.29Å; S114-Q116 PolarHBondContact O-N 2.95Å; Q116-K118 PolarHBondContact O-N 2.99Å; Q116-K118 VanDerWaalsContact O-N 3.09Å; Q116-D119 VanDerWaalsContact O-OD2 3.11Å
117	W	65	Low	73.9	Confident	112 Å²	112	67.6 Å²	67.6	42%	0.424	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-70.1	0.9	168.8	-70.9	82.9	0	0	0	113.1	N111 S114 D119 L122 I126	N111-W117 HydrophobicContact CB-CZ2 4.27Å; N111-W117 PolarHBondContact ND2-N 3.19Å; N111-W117 PolarHBondContact ND2-NE1 2.94Å; N111-W117 VanDerWaalsContact ND2-NE1 3.18Å; S114-W117 PolarHBondContact O-N 3.25Å; W117-D119 VanDerWaalsContact C-N 3.34Å; W117-L122 HydrophobicContact CD2-CD2 4.33Å; W117-L122 HydrophobicContact CE3-CD1 4.38Å; W117-L122 HydrophobicContact CE3-CD2 3.53Å; W117-L122 HydrophobicContact CZ3-CD2 4.1Å; W117-I126 HydrophobicContact CE3-CD1 4.07Å; W117-I126 HydrophobicContact CZ3-CD1 4.23Å
118	K	66.1	Low	74.5	Confident	173 Å²	173	67.3 Å²	67.3	75%	0.752	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-88	1.2	179.6	-65.5	-175.4	178.2	-177.9	0	113.7	Q116	Q116-K118 PolarHBondContact O-N 2.99Å; Q116-K118 VanDerWaalsContact O-N 3.09Å
119	D	79.8	Confident	75	Confident	40 Å²	40	64.3 Å²	64.3	21%	0.214	35%	0.354	C	S	.	.			trans	-57.7	133.1	174.9	-84.7	-74.7	0	0	0	110.6	K29 Q116 W117 A121 L122 S123	K29-D119 IonicContact NZ-OD1 2.75Å; K29-D119 PolarHBondContact NZ-OD1 3.23Å; Q116-D119 VanDerWaalsContact O-OD2 3.11Å; W117-D119 VanDerWaalsContact C-N 3.34Å; D119-A121 VanDerWaalsContact C-N 3.27Å; D119-A121 PolarHBondContact O-N 3.37Å; D119-L122 HydrophobicContact CB-CB 3.99Å; D119-L122 PolarHBondContact O-N 3.49Å; D119-S123 PolarHBondContact O-N 3.27Å; D119-S123 PolarHBondContact O-OG 2.96Å
120	P	85.1	Confident	75.5	Confident	89 Å²	89	69.4 Å²	69.4	58%	0.578	37%	0.369	S	S	*	.	H	α-helix	trans	-63.5	-36.1	179.6	24.8	-32.8	0	0	0	111.5	S123 Q124	P120-S123 PolarHBondContact O-N 3.32Å; P120-Q124 WeakPolarHBondContact O-CG 3.33Å; P120-Q124 PolarHBondContact O-N 3.2Å
121	A	85.5	Confident	76.2	Confident	6 Å²	6	70.1 Å²	70.1	5%	0.05	37%	0.368	C	S	.	.	H	α-helix	trans	-61.3	-45.8	174.6	0	0	0	0	0	111.9	A22 V26 D119 S123 Q124 L125	A22-A121 HydrophobicContact CB-CB 3.85Å; V26-A121 HydrophobicContact CG2-CB 3.87Å; D119-A121 VanDerWaalsContact C-N 3.27Å; D119-A121 PolarHBondContact O-N 3.37Å; A121-S123 PolarHBondContact O-N 3.26Å; A121-Q124 WeakPolarHBondContact O-CB 3.39Å; A121-Q124 PolarHBondContact O-N 3.11Å; A121-L125 PolarHBondContact O-N 3.12Å; A121-L125 VanDerWaalsContact O-N 3.11Å
122	L	83.9	Confident	77.2	Confident	20 Å²	20	69.1 Å²	69.1	11%	0.105	36%	0.363	C	S	.	.	H	α-helix	trans	-66	-40.3	176.9	-166.8	148.1	0	0	0	111.5	V26 W117 D119 Q124 L125 I126	V26-L122 HydrophobicContact CG1-CD1 4.02Å; V26-L122 HydrophobicContact CG2-CB 3.8Å; V26-L122 HydrophobicContact CG2-CG 4.48Å; W117-L122 HydrophobicContact CD2-CD2 4.33Å; W117-L122 HydrophobicContact CE3-CD1 4.38Å; W117-L122 HydrophobicContact CE3-CD2 3.53Å; W117-L122 HydrophobicContact CZ3-CD2 4.1Å; D119-L122 HydrophobicContact CB-CB 3.99Å; D119-L122 PolarHBondContact O-N 3.49Å; L122-Q124 VanDerWaalsContact C-N 3.29Å; L122-Q124 PolarHBondContact O-N 2.88Å; L122-L125 WeakPolarHBondContact O-CB 3.45Å; L122-L125 PolarHBondContact O-N 2.91Å; L122-I126 HydrophobicContact CD2-CD1 3.37Å; L122-I126 HydrophobicContact CD2-CG1 3.99Å; L122-I126 WeakPolarHBondContact O-CG1 3.45Å; L122-I126 PolarHBondContact O-N 3.3Å
123	S	85.9	Confident	78.2	Confident	57 Å²	57	67.3 Å²	67.3	40%	0.399	34%	0.344	S	S	.	.	H	α-helix	trans	-61.4	-38	175.6	-59.9	0	0	0	0	112.1	D119 P120 A121 C127	D119-S123 PolarHBondContact O-N 3.27Å; D119-S123 PolarHBondContact O-OG 2.96Å; P120-S123 PolarHBondContact O-N 3.32Å; A121-S123 PolarHBondContact O-N 3.26Å; S123-C127 WeakPolarHBondContact O-CB 3.4Å; S123-C127 PolarHBondContact O-N 2.87Å
124	Q	87	Confident	79.5	Confident	104 Å²	104	70 Å²	70	49%	0.486	35%	0.35	S	S	.	.	H	α-helix	trans	-64.4	-43.3	174.4	-76	175.3	-26.9	0	0	111.9	P120 A121 L122 C127 F128	P120-Q124 WeakPolarHBondContact O-CG 3.33Å; P120-Q124 PolarHBondContact O-N 3.2Å; A121-Q124 WeakPolarHBondContact O-CB 3.39Å; A121-Q124 PolarHBondContact O-N 3.11Å; L122-Q124 VanDerWaalsContact C-N 3.29Å; L122-Q124 PolarHBondContact O-N 2.88Å; Q124-C127 PolarHBondContact O-N 3.44Å; Q124-F128 WeakPolarHBondContact O-CB 3.25Å; Q124-F128 PolarHBondContact O-N 2.9Å
125	L	86.1	Confident	80.7	Confident	13 Å²	13	72.3 Å²	72.3	7%	0.068	35%	0.352	C	S	.	.	H	α-helix	trans	-62	-45.1	175.7	-73.2	160.4	0	0	0	112.3	V19 A22 L23 V26 L72 A121 L122 C127 F128 C129 I142	V19-L125 HydrophobicContact CG1-CD2 3.66Å; A22-L125 HydrophobicContact CB-CG 4.42Å; L23-L125 HydrophobicContact CB-CD1 4.24Å; L23-L125 HydrophobicContact CB-CD2 3.88Å; L23-L125 HydrophobicContact CD1-CD1 4.09Å; L23-L125 HydrophobicContact CD1-CD2 4.23Å; V26-L125 HydrophobicContact CB-CD1 4.2Å; V26-L125 HydrophobicContact CG2-CD1 3.92Å; L72-L125 HydrophobicContact CD2-CD2 4.33Å; A121-L125 PolarHBondContact O-N 3.12Å; A121-L125 VanDerWaalsContact O-N 3.11Å; L122-L125 WeakPolarHBondContact O-CB 3.45Å; L122-L125 PolarHBondContact O-N 2.91Å; L125-C127 VanDerWaalsContact C-N 3.33Å; L125-C127 PolarHBondContact O-N 3.35Å; L125-F128 PolarHBondContact O-N 3.49Å; L125-C129 WeakPolarHBondContact O-CB 3.36Å; L125-C129 PolarHBondContact O-N 3.21Å; L125-C129 PolarHBondContact O-SG 3.1Å; L125-I142 HydrophobicContact CD2-CD1 4.2Å
126	I	85.6	Confident	81.7	Confident	54 Å²	54	74.4 Å²	74.4	28%	0.277	36%	0.356	S	S	.	.	H	α-helix	trans	-60.8	-46.3	176.2	-67.1	176.1	0	0	0	110.1	W117 L122 F128 C129 R130	W117-I126 HydrophobicContact CE3-CD1 4.07Å; W117-I126 HydrophobicContact CZ3-CD1 4.23Å; L122-I126 HydrophobicContact CD2-CD1 3.37Å; L122-I126 HydrophobicContact CD2-CG1 3.99Å; L122-I126 WeakPolarHBondContact O-CG1 3.45Å; L122-I126 PolarHBondContact O-N 3.3Å; I126-F128 VanDerWaalsContact C-N 3.32Å; I126-F128 PolarHBondContact O-N 3.31Å; I126-C129 PolarHBondContact O-N 3.11Å; I126-R130 WeakPolarHBondContact O-CB 3.35Å; I126-R130 PolarHBondContact O-N 3.5Å
127	C	87	Confident	82.8	Confident	62 Å²	62	77.2 Å²	77.2	42%	0.419	37%	0.37	S	S	.	.	H	α-helix	trans	-60.1	-45.2	179.4	-162.9	0	0	0	0	111.1	S123 Q124 L125 R130 E131	S123-C127 WeakPolarHBondContact O-CB 3.4Å; S123-C127 PolarHBondContact O-N 2.87Å; Q124-C127 PolarHBondContact O-N 3.44Å; L125-C127 VanDerWaalsContact C-N 3.33Å; L125-C127 PolarHBondContact O-N 3.35Å; C127-R130 PolarHBondContact O-N 2.78Å; C127-E131 WeakPolarHBondContact O-CG 3.47Å; C127-E131 PolarHBondContact O-N 3.26Å
128	F	87.9	Confident	83.3	Confident	25 Å²	25	76.6 Å²	76.6	11%	0.11	37%	0.367	C	S	.	.	H	α-helix	trans	-60.8	-48.4	175.8	177.4	-101.9	0	0	0	112.1	V19 Q124 L125 I126 R130 E131 S132 P140 I142	V19-F128 HydrophobicContact CG1-CB 4.27Å; V19-F128 HydrophobicContact CG1-CD1 3.85Å; V19-F128 HydrophobicContact CG1-CE1 4.29Å; V19-F128 HydrophobicContact CG1-CG 3.97Å; V19-F128 HydrophobicContact CG2-CB 4.14Å; V19-F128 HydrophobicContact CG2-CD2 4.08Å; V19-F128 HydrophobicContact CG2-CG 4.09Å; Q124-F128 WeakPolarHBondContact O-CB 3.25Å; Q124-F128 PolarHBondContact O-N 2.9Å; L125-F128 PolarHBondContact O-N 3.49Å; I126-F128 VanDerWaalsContact C-N 3.32Å; I126-F128 PolarHBondContact O-N 3.31Å; F128-R130 VanDerWaalsContact C-N 3.26Å; F128-R130 PolarHBondContact O-N 3.32Å; F128-E131 PolarHBondContact O-N 2.95Å; F128-S132 WeakPolarHBondContact O-CB 3.33Å; F128-S132 PolarHBondContact O-N 2.96Å; F128-S132 PolarHBondContact O-OG 2.96Å; F128-S132 VanDerWaalsContact O-OG 3.11Å; F128-P140 HydrophobicContact CD1-CB 4.39Å; F128-P140 HydrophobicContact CE1-CB 3.65Å; F128-P140 HydrophobicContact CE1-CG 4.19Å; F128-P140 HydrophobicContact CZ-CB 4.23Å; F128-I142 HydrophobicContact CD1-CD1 3.87Å; F128-I142 HydrophobicContact CD1-CG1 4.2Å; F128-I142 HydrophobicContact CE1-CD1 3.63Å; F128-I142 HydrophobicContact CE1-CG1 3.47Å; F128-I142 VanDerWaalsContact CE1-CG1 3.47Å; F128-I142 HydrophobicContact CZ-CG1 4.12Å
129	C	85.5	Confident	84	Confident	8 Å²	8	70.7 Å²	70.7	5%	0.054	35%	0.345	C	S	.	.	H	α-helix	trans	-59.8	-39.2	177.6	-66.2	0	0	0	0	111.9	N70 L125 I126 S132 R133	N70-C129 HydrophobicContact CB-CB 4.09Å; N70-C129 WeakPolarHBondContact OD1-CB 3.42Å; L125-C129 WeakPolarHBondContact O-CB 3.36Å; L125-C129 PolarHBondContact O-N 3.21Å; L125-C129 PolarHBondContact O-SG 3.1Å; I126-C129 PolarHBondContact O-N 3.11Å; C129-S132 PolarHBondContact O-N 2.95Å; C129-R133 WeakPolarHBondContact O-CB 3.35Å; C129-R133 PolarHBondContact O-N 3.32Å
130	R	85.3	Confident	84.2	Confident	154 Å²	154	68.9 Å²	68.9	58%	0.581	34%	0.336	S	S	*	.	H	α-helix	trans	-67.7	-46.2	177.6	-160.9	179.1	-163.8	-162.7	4.7	111.9	I126 C127 F128 S132 R133 Y134	I126-R130 WeakPolarHBondContact O-CB 3.35Å; I126-R130 PolarHBondContact O-N 3.5Å; C127-R130 PolarHBondContact O-N 2.78Å; F128-R130 VanDerWaalsContact C-N 3.26Å; F128-R130 PolarHBondContact O-N 3.32Å; R130-S132 VanDerWaalsContact C-N 3.32Å; R130-S132 PolarHBondContact O-N 3.09Å; R130-R133 PolarHBondContact O-N 3.27Å; R130-Y134 HydrophobicContact CG-CD2 4.38Å; R130-Y134 HydrophobicContact CG-CE2 4.18Å; R130-Y134 VanDerWaalsContact O-CD2 3.26Å; R130-Y134 WeakPolarHBondContact O-CD2 3.5Å; R130-Y134 PolarHBondContact O-N 3.2Å
131	E	87.9	Confident	84.2	Confident	76 Å²	76	67.6 Å²	67.6	36%	0.355	33%	0.327	S	S	.	.	H	α-helix	trans	-59.9	-42.2	174.7	-79	-179.9	-137.5	0	0	111.8	R15 C127 F128 Y134 M135	R15-E131 IonicContact CZ-OE1 3.72Å; R15-E131 IonicContact CZ-OE2 3.81Å; R15-E131 VanDerWaalsContact CZ-OE2 3.23Å; R15-E131 IonicContact NH1-OE2 2.67Å; R15-E131 PolarHBondContact NH1-OE2 3.48Å; R15-E131 IonicContact NH2-OE1 3.52Å; R15-E131 PolarHBondContact NH2-OE1 3.28Å; R15-E131 IonicContact NH2-OE2 2.72Å; R15-E131 PolarHBondContact NH2-OE2 3.32Å; C127-E131 WeakPolarHBondContact O-CG 3.47Å; C127-E131 PolarHBondContact O-N 3.26Å; F128-E131 PolarHBondContact O-N 2.95Å; E131-Y134 WeakPolarHBondContact O-CB 3.46Å; E131-Y134 PolarHBondContact O-N 3.48Å; E131-M135 PolarHBondContact O-N 2.83Å
132	S	86.1	Confident	84.2	Confident	8 Å²	8	67.4 Å²	67.4	6%	0.056	32%	0.324	C	S	.	.	H	α-helix	trans	-63	-42.1	175.1	-65.7	0	0	0	0	112.2	F128 C129 R130 Y134 M135 D136 Q137 P140	F128-S132 WeakPolarHBondContact O-CB 3.33Å; F128-S132 PolarHBondContact O-N 2.96Å; F128-S132 PolarHBondContact O-OG 2.96Å; F128-S132 VanDerWaalsContact O-OG 3.11Å; C129-S132 PolarHBondContact O-N 2.95Å; R130-S132 VanDerWaalsContact C-N 3.32Å; R130-S132 PolarHBondContact O-N 3.09Å; S132-Y134 VanDerWaalsContact C-N 3.28Å; S132-Y134 PolarHBondContact O-N 3.44Å; S132-M135 CarbonylContact O-C 3.44Å; S132-M135 WeakPolarHBondContact O-CA 3.43Å; S132-M135 PolarHBondContact O-N 3.03Å; S132-D136 PolarHBondContact O-N 2.72Å; S132-Q137 CarbonylContact C-O 3.52Å; S132-Q137 VanDerWaalsContact C-O 3.32Å; S132-Q137 WeakPolarHBondContact O-CA 3.25Å; S132-Q137 WeakPolarHBondContact O-CB 3.27Å; S132-Q137 PolarHBondContact O-N 2.88Å; S132-P140 WeakPolarHBondContact OG-CB 3.26Å
133	R	82.4	Confident	84.2	Confident	58 Å²	58	70.1 Å²	70.1	22%	0.219	34%	0.339	C	S	.	.	H	α-helix	trans	-60.3	-36.7	173.6	171.6	174.9	-93	166.4	3.8	112.2	C65 C129 R130 M135 D136 W138	C65-R133 VanDerWaalsContact CB-NH2 3.27Å; C65-R133 PolarHBondContact SG-NH2 3.02Å; C65-R133 VanDerWaalsContact SG-NH2 3.39Å; C129-R133 WeakPolarHBondContact O-CB 3.35Å; C129-R133 PolarHBondContact O-N 3.32Å; R130-R133 PolarHBondContact O-N 3.27Å; R133-M135 PolarHBondContact O-N 2.79Å; R133-D136 PolarHBondContact O-N 2.67Å; R133-W138 HydrophobicContact CG-CE3 4.27Å; R133-W138 HydrophobicContact CG-CZ3 4.02Å
134	Y	82.9	Confident	84	Confident	177 Å²	177	67.6 Å²	67.6	69%	0.694	32%	0.321	S	S	*	.	H	α-helix	trans	-64.2	-23.3	173.2	-89.6	-75.7	0	0	0	113.4	R130 E131 S132	R130-Y134 HydrophobicContact CG-CD2 4.38Å; R130-Y134 HydrophobicContact CG-CE2 4.18Å; R130-Y134 VanDerWaalsContact O-CD2 3.26Å; R130-Y134 WeakPolarHBondContact O-CD2 3.5Å; R130-Y134 PolarHBondContact O-N 3.2Å; E131-Y134 WeakPolarHBondContact O-CB 3.46Å; E131-Y134 PolarHBondContact O-N 3.48Å; S132-Y134 VanDerWaalsContact C-N 3.28Å; S132-Y134 PolarHBondContact O-N 3.44Å
135	M	82.5	Confident	83.6	Confident	145 Å²	145	63.4 Å²	63.4	71%	0.714	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	22.6	178.3	-63.2	-69.2	-178.3	0	0	112.6	E131 S132 R133 Q137	E131-M135 PolarHBondContact O-N 2.83Å; S132-M135 CarbonylContact O-C 3.44Å; S132-M135 WeakPolarHBondContact O-CA 3.43Å; S132-M135 PolarHBondContact O-N 3.03Å; R133-M135 PolarHBondContact O-N 2.79Å; M135-Q137 PolarHBondContact O-N 3.27Å
136	D	79.4	Confident	82.7	Confident	128 Å²	128	71 Å²	71	68%	0.684	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	15.9	-175.6	-67.5	-71.2	0	0	0	114.6	S132 R133 W138	S132-D136 PolarHBondContact O-N 2.72Å; R133-D136 PolarHBondContact O-N 2.67Å; D136-W138 PolarHBondContact O-N 3.24Å
137	Q	82.6	Confident	81.4	Confident	112 Å²	112	80.5 Å²	80.5	52%	0.523	37%	0.37	S	S	.	.			trans	-94.1	81.8	173.2	-67.4	-176.9	5.8	0	0	109.8	S132 M135 V139	S132-Q137 CarbonylContact C-O 3.52Å; S132-Q137 VanDerWaalsContact C-O 3.32Å; S132-Q137 WeakPolarHBondContact O-CA 3.25Å; S132-Q137 WeakPolarHBondContact O-CB 3.27Å; S132-Q137 PolarHBondContact O-N 2.88Å; M135-Q137 PolarHBondContact O-N 3.27Å; Q137-V139 VanDerWaalsContact C-N 3.27Å; Q137-V139 PolarHBondContact O-N 3.4Å
138	W	73.9	Confident	81.2	Confident	100 Å²	100	81.4 Å²	81.4	38%	0.379	37%	0.368	S	S	.	.	S	Bend	trans	-62.8	-29.9	-177.9	-64.1	92.7	0	0	0	114.5	Q61 C65 I71 R133 D136	Q61-W138 HydrophobicContact CG-CB 4.5Å; C65-W138 HydrophobicContact CB-CZ3 4.31Å; C65-W138 WeakPolarHBondContact SG-CZ3 3.39Å; I71-W138 WeakPolarHBondContact CG2-O 3.5Å; R133-W138 HydrophobicContact CG-CE3 4.27Å; R133-W138 HydrophobicContact CG-CZ3 4.02Å; D136-W138 PolarHBondContact O-N 3.24Å
139	V	80.7	Confident	80.8	Confident	48 Å²	48	84.4 Å²	84.4	29%	0.291	38%	0.382	S	S	.	.	S	Bend	trans	-126.2	85.1	176.3	-171.3	0	0	0	0	107.6	I71 R73 Q137	I71-V139 HydrophobicContact CG1-CG1 4.39Å; I71-V139 HydrophobicContact CG2-CG2 4.03Å; R73-V139 HydrophobicContact CB-CG1 3.85Å; Q137-V139 VanDerWaalsContact C-N 3.27Å; Q137-V139 PolarHBondContact O-N 3.4Å
140	P	85.2	Confident	80.5	Confident	2 Å²	2	88.6 Å²	88.6	1%	0.013	40%	0.4	C	S	.	.			trans	-63	144.7	177.2	26.9	-35.8	0	0	0	111	I71 L72 R73 F128 S132	I71-P140 WeakPolarHBondContact O-CD 3.48Å; L72-P140 HydrophobicContact CB-CG 4.35Å; R73-P140 PolarHBondContact N-O 3.36Å; F128-P140 HydrophobicContact CD1-CB 4.39Å; F128-P140 HydrophobicContact CE1-CB 3.65Å; F128-P140 HydrophobicContact CE1-CG 4.19Å; F128-P140 HydrophobicContact CZ-CB 4.23Å; S132-P140 WeakPolarHBondContact OG-CB 3.26Å
141	V	83.9	Confident	80.3	Confident	63 Å²	63	84.8 Å²	84.8	38%	0.382	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128	178.9	-173.7	0	0	0	0	109.3	R73 S75	R73-V141 HydrophobicContact CB-CG2 4.2Å; R73-V141 HydrophobicContact CG-CG2 4.48Å; R73-V141 CarbonylContact O-C 3.53Å; R73-V141 VanDerWaalsContact O-CA 3.25Å; R73-V141 WeakPolarHBondContact O-CA 3.44Å; S75-V141 WeakPolarHBondContact OG-CG1 3.42Å
142	I	87.1	Confident	79.8	Confident	1 Å²	1	85.3 Å²	85.3	1%	0.005	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	144	178.4	-62.3	158.7	0	0	0	108.5	V19 L72 R73 V74 S75 L125 F128	V19-I142 HydrophobicContact CG1-CD1 3.58Å; V19-I142 HydrophobicContact CG1-CG1 4.04Å; V19-I142 HydrophobicContact CG1-CG2 4.38Å; L72-I142 HydrophobicContact CB-CD1 4.22Å; L72-I142 HydrophobicContact CD1-CD1 4.29Å; L72-I142 HydrophobicContact CD2-CD1 4.13Å; L72-I142 HydrophobicContact CG-CD1 4.45Å; R73-I142 PolarHBondContact O-N 3.04Å; V74-I142 WeakPolarHBondContact CA-O 3.46Å; S75-I142 PolarHBondContact N-O 3.17Å; L125-I142 HydrophobicContact CD2-CD1 4.2Å; F128-I142 HydrophobicContact CD1-CD1 3.87Å; F128-I142 HydrophobicContact CD1-CG1 4.2Å; F128-I142 HydrophobicContact CE1-CD1 3.63Å; F128-I142 HydrophobicContact CE1-CG1 3.47Å; F128-I142 VanDerWaalsContact CE1-CG1 3.47Å; F128-I142 HydrophobicContact CZ-CG1 4.12Å
143	N	83.9	Confident	79.4	Confident	78 Å²	78	90.5 Å²	90.5	42%	0.417	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-100.1	130.1	167.8	-63.5	-74.8	0	0	0	108	S75	S75-N143 WeakPolarHBondContact CB-OD1 3.19Å; S75-N143 PolarHBondContact OG-OD1 3.35Å
144	L	82	Confident	79.2	Confident	4 Å²	4	92.8 Å²	92.8	2%	0.021	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-71.9	141.6	167	-68.1	164	0	0	0	108.9	L23 E24 V74 N76 R79 L80 L83 E146	L23-L144 HydrophobicContact CB-CD2 4.27Å; L23-L144 HydrophobicContact CD2-CD2 3.94Å; L23-L144 HydrophobicContact CG-CD2 4.14Å; E24-L144 HydrophobicContact CB-CD2 4.35Å; V74-L144 HydrophobicContact CG1-CD1 3.71Å; V74-L144 HydrophobicContact CG1-CG 3.9Å; N76-L144 PolarHBondContact ND2-O 2.99Å; N76-L144 PolarHBondContact OD1-N 3.09Å; R79-L144 HydrophobicContact CB-CB 4.33Å; R79-L144 HydrophobicContact CB-CD1 4.17Å; L80-L144 HydrophobicContact CB-CD1 3.92Å; L80-L144 HydrophobicContact CD1-CD1 4.27Å; L83-L144 HydrophobicContact CD1-CD1 4.28Å; L144-E146 PolarHBondContact O-N 3.16Å
145	P	77	Confident	78.9	Confident	15 Å²	15	86.3 Å²	86.3	10%	0.097	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-62.9	134.7	177.9	25.6	-33.1	0	0	0	111.4	D21 R147	D21-P145 WeakPolarHBondContact OD1-CG 3.48Å; P145-R147 PolarHBondContact O-N 3.3Å
146	E	67.3	Low	78.6	Confident	174 Å²	174	81.4 Å²	81.4	81%	0.813	38%	0.381	S	S	*	.			trans	-85	86.7	172.9	-64.7	-176	118	0	0	108.6	L144	L144-E146 PolarHBondContact O-N 3.16Å
147	R	59.7	Low	78.5	Confident	252 Å²	252	77.2 Å²	77.2	95%	0.951	35%	0.354	S	S	*	.			trans	-90.3	0	170.7	-96.7	-178.4	165	-94.7	0.2	112.4	R79 P145	R79-R147 PolarHBondContact NH1-O 3.47Å; R79-R147 PolarHBondContact NH2-O 2.97Å; P145-R147 PolarHBondContact O-N 3.3Å

Retrieved 147 of 147 residues in 401.8 ms (Link to these results)

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