A0A060WLN3_ONCMY Loading...

PAXX non-homologous end joining factor

AlphaFold DB , UniProt , Accession A0A060WLN3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene paxx, Length 214 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	41.2	Very low	41.6	Very low	242 Å²	242	159.1 Å²	159.1	100%	1.192	84%	0.84	S	S	*	*				0	92.9	0	-162.4	164.2	179	0	0	106.1
2	F	39.5	Very low	41	Very low	203 Å²	203	156.4 Å²	156.4	89%	0.89	84%	0.835	S	S	*	*			trans	-112.6	141.5	179	-71.4	-80.5	0	0	0	107.1
3	P	49.5	Very low	40.7	Very low	109 Å²	109	156.2 Å²	156.2	71%	0.708	83%	0.826	S	S	*	*			trans	-79.1	138.5	-179.7	30.9	-30.4	0	0	0	110.9	H5	P3-H5 PolarHBondContact O-N 3.3Å
4	D	40.7	Very low	40.3	Very low	169 Å²	169	154.7 Å²	154.7	90%	0.904	82%	0.819	S	S	*	*			trans	-65.1	116.5	170.9	-83	-57	0	0	0	110.4	Q6	D4-Q6 PolarHBondContact O-N 3.35Å
5	H	48.3	Very low	40.2	Very low	175 Å²	175	153.7 Å²	153.7	81%	0.81	81%	0.81	S	S	*	*			trans	-77.8	106.5	164.7	-81	-71.6	0	0	0	109.1	P3 L7	P3-H5 PolarHBondContact O-N 3.3Å; H5-L7 PolarHBondContact O-N 3.4Å; H5-L7 VanDerWaalsContact O-N 3.15Å
6	Q	47.4	Very low	40.4	Very low	171 Å²	171	153.3 Å²	153.3	80%	0.799	81%	0.809	S	S	*	*			trans	-59.4	107.5	171.9	-157.3	169.4	37.5	0	0	109.8	D4 M8	D4-Q6 PolarHBondContact O-N 3.35Å; Q6-M8 PolarHBondContact O-N 3.15Å
7	L	41.8	Very low	40.6	Very low	167 Å²	167	148.1 Å²	148.1	87%	0.874	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-70.6	118.8	169.6	-100.1	100	0	0	0	109.4	H5	H5-L7 PolarHBondContact O-N 3.4Å; H5-L7 VanDerWaalsContact O-N 3.15Å
8	M	38.7	Very low	40.8	Very low	145 Å²	145	147.6 Å²	147.6	71%	0.714	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-68.6	139.6	164.8	-69.1	-72.8	157.1	0	0	109.6	Q6 T10	Q6-M8 PolarHBondContact O-N 3.15Å; M8-T10 PolarHBondContact O-N 3.18Å
9	P	39.9	Very low	41.1	Very low	121 Å²	121	144.2 Å²	144.2	79%	0.786	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-69.5	121	172.2	27.5	-30.4	0	0	0	109.6
10	T	36.3	Very low	41.6	Very low	124 Å²	124	140.5 Å²	140.5	76%	0.761	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-54.9	136.5	167.2	32.3	0	0	0	0	110.7	M8 T12	M8-T10 PolarHBondContact O-N 3.18Å; T10-T12 PolarHBondContact O-N 3.29Å
11	P	34	Very low	42	Very low	124 Å²	124	138 Å²	138	81%	0.805	75%	0.748	S	S	*	*			trans	-69.6	115.5	173.8	28.4	-29.9	0	0	0	108.6	Q13	P11-Q13 PolarHBondContact O-N 3.18Å
12	T	34.9	Very low	42.5	Very low	127 Å²	127	131.9 Å²	131.9	78%	0.779	72%	0.724	S	S	*	*			trans	-63.2	100.2	169.2	-25.9	0	0	0	0	107.5	T10 N14	T10-T12 PolarHBondContact O-N 3.29Å; T12-N14 PolarHBondContact O-N 3.14Å
13	Q	36.9	Very low	43.6	Very low	154 Å²	154	125.9 Å²	125.9	72%	0.72	70%	0.699	S	S	*	*			trans	-67.7	103.2	169.5	-161.8	177	12.3	0	0	106.4	P11 M15	P11-Q13 PolarHBondContact O-N 3.18Å; Q13-M15 VanDerWaalsContact C-N 3.33Å; Q13-M15 VanDerWaalsContact CD-CE 3.48Å; Q13-M15 HydrophobicContact CG-CE 4.03Å; Q13-M15 PolarHBondContact O-N 2.67Å
14	N	34.7	Very low	44.8	Very low	135 Å²	135	121.9 Å²	121.9	72%	0.722	67%	0.674	S	S	*	*			trans	-60.4	97.7	172.3	-73.3	-24.5	0	0	0	108.3	T12 D16	T12-N14 PolarHBondContact O-N 3.14Å; N14-D16 PolarHBondContact O-N 3.05Å; N14-D16 VanDerWaalsContact O-N 3.15Å
15	M	38.8	Very low	46.9	Very low	139 Å²	139	114.1 Å²	114.1	69%	0.685	63%	0.633	S	S	*	*			trans	-82.3	70.5	168.7	-72.4	-78.4	167.6	0	0	108.2	Q13 G17	Q13-M15 VanDerWaalsContact C-N 3.33Å; Q13-M15 VanDerWaalsContact CD-CE 3.48Å; Q13-M15 HydrophobicContact CG-CE 4.03Å; Q13-M15 PolarHBondContact O-N 2.67Å; M15-G17 PolarHBondContact O-N 3.07Å
16	D	43.8	Very low	48.9	Very low	148 Å²	148	108.7 Å²	108.7	79%	0.791	61%	0.606	S	S	*	*			trans	-74.3	40.2	162.7	-81.5	-52.1	0	0	0	110.8	N14	N14-D16 PolarHBondContact O-N 3.05Å; N14-D16 VanDerWaalsContact O-N 3.15Å
17	G	44.3	Very low	51.1	Low	65 Å²	65	101.6 Å²	101.6	67%	0.67	57%	0.574	S	S	*	*			trans	-112.4	5.8	-165.4	0	0	0	0	0	115.4	M15	M15-G17 PolarHBondContact O-N 3.07Å
18	N	43.2	Very low	53.6	Low	139 Å²	139	98 Å²	98	74%	0.743	56%	0.559	S	S	*	*			trans	-159.3	70.2	177.1	-148.2	-2.5	0	0	0	111.9
19	L	47.5	Very low	56.2	Low	83 Å²	83	91.2 Å²	91.2	44%	0.435	53%	0.526	S	S	.	.			trans	-62.2	125.5	156.5	-109.6	78.7	0	0	0	106.5	L21 Q23	L19-L21 PolarHBondContact O-N 2.87Å; L19-Q23 HydrophobicContact CD2-CB 4.46Å
20	P	50.5	Low	58.8	Low	70 Å²	70	87.9 Å²	87.9	46%	0.455	50%	0.504	S	S	.	.			trans	-55.4	132.1	179.4	21.5	-30.6	0	0	0	109	T22 Q23	P20-T22 PolarHBondContact O-N 2.83Å; P20-Q23 PolarHBondContact O-N 2.84Å
21	L	49.4	Very low	61.6	Low	89 Å²	89	82.4 Å²	82.4	47%	0.466	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-16.6	179.1	-75	157.3	0	0	0	113.4	L19 Q23 H146	L19-L21 PolarHBondContact O-N 2.87Å; L21-Q23 VanDerWaalsContact C-N 3.25Å; L21-Q23 PolarHBondContact O-N 3.16Å; L21-H146 HydrophobicContact CD1-CB 3.85Å
22	T	51.4	Low	64.3	Low	113 Å²	113	81.4 Å²	81.4	69%	0.693	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-18	173.6	56.2	0	0	0	0	114.6	P20	P20-T22 PolarHBondContact O-N 2.83Å
23	Q	62.6	Low	66.9	Low	76 Å²	76	81.3 Å²	81.3	36%	0.355	44%	0.441	S	S	.	.	S	Bend	trans	-99	-14.3	-179.2	-107.9	176.1	-2.6	0	0	114.6	L19 P20 L21 T42 I85	L19-Q23 HydrophobicContact CD2-CB 4.46Å; P20-Q23 PolarHBondContact O-N 2.84Å; L21-Q23 VanDerWaalsContact C-N 3.25Å; L21-Q23 PolarHBondContact O-N 3.16Å; Q23-T42 PolarHBondContact O-OG1 2.9Å; Q23-I85 HydrophobicContact CG-CD1 4.46Å; Q23-I85 WeakPolarHBondContact O-CD1 3.42Å
24	S	74.8	Confident	69.5	Low	26 Å²	26	79 Å²	79	18%	0.182	43%	0.434	C	S	.	.			trans	-94.5	126.7	179	-55.8	0	0	0	0	110.2
25	S	84.9	Confident	72.3	Confident	6 Å²	6	78.8 Å²	78.8	4%	0.042	43%	0.429	C	S	.	.			trans	-120.4	135.2	174.9	179.3	0	0	0	0	109.8	Y41 T42 R89	S25-Y41 CarbonylContact O-C 3.58Å; S25-Y41 VanDerWaalsContact O-CA 3.24Å; S25-Y41 WeakPolarHBondContact O-CA 3.43Å; S25-T42 PolarHBondContact N-OG1 3.42Å; S25-T42 PolarHBondContact O-N 3.15Å; S25-R89 WeakPolarHBondContact OG-CG 3.46Å
26	Y	91.3	Very high	74.9	Confident	61 Å²	61	74.2 Å²	74.2	24%	0.239	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	138.4	173.9	-45.3	-79.2	0	0	0	109	C40 L136 R139 M140	Y26-C40 CarbonylContact C-O 3.49Å; Y26-C40 WeakPolarHBondContact CA-O 3.36Å; Y26-L136 HydrophobicContact CD1-CD1 4.01Å; Y26-L136 HydrophobicContact CE1-CD1 3.58Å; Y26-R139 WeakPolarHBondContact OH-CD 3.39Å; Y26-R139 WeakPolarHBondContact OH-CG 3.16Å; Y26-R139 PolarHBondContact OH-NE 3.14Å; Y26-M140 HydrophobicContact CD1-CG 4.16Å; Y26-M140 HydrophobicContact CD1-SD 4.4Å; Y26-M140 HydrophobicContact CE1-CG 4.12Å; Y26-M140 HydrophobicContact CG-CG 4.42Å
27	C	92.5	Very high	77.3	Confident	21 Å²	21	74.9 Å²	74.9	14%	0.142	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	156	168	44	0	0	0	0	111.6	C40 C92	C27-C40 PolarHBondContact N-O 3.17Å; C27-C40 PolarHBondContact O-N 3.2Å; C27-C92 HydrophobicContact CB-CB 3.3Å; C27-C92 WeakPolarHBondContact CB-SG 3.2Å; C27-C92 WeakPolarHBondContact SG-CB 3.3Å; C27-C92 CovalentContact SG-SG 2.04Å; C27-C92 PolarHBondContact SG-SG 3.1Å
28	T	94.4	Very high	79.8	Confident	92 Å²	92	72 Å²	72	56%	0.564	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	134.1	170.5	-51.7	0	0	0	0	109.6	K37 L38	T28-K37 HydrophobicContact CG2-CB 3.84Å; T28-K37 HydrophobicContact CG2-CD 4.1Å; T28-K37 HydrophobicContact CG2-CG 4.07Å; T28-L38 CarbonylContact C-O 3.52Å; T28-L38 VanDerWaalsContact CA-O 3.28Å; T28-L38 WeakPolarHBondContact CA-O 3.3Å
29	V	94.4	Very high	82.3	Confident	3 Å²	3	67.8 Å²	67.8	2%	0.018	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	160.1	176.4	-56.5	0	0	0	0	109.4	K37 L38 C40 L53 V97 V99	V29-K37 WeakPolarHBondContact O-CA 3.31Å; V29-L38 HydrophobicContact CG2-CB 3.94Å; V29-L38 PolarHBondContact N-O 3.46Å; V29-L38 PolarHBondContact O-N 3.34Å; V29-C40 HydrophobicContact CG1-CB 3.7Å; V29-C40 HydrophobicContact CG2-CB 4.26Å; V29-L53 HydrophobicContact CG2-CD2 3.81Å; V29-V97 HydrophobicContact CB-CG1 3.99Å; V29-V97 HydrophobicContact CG1-CB 4.11Å; V29-V97 HydrophobicContact CG1-CG1 3.32Å; V29-V99 HydrophobicContact CG2-CB 4.42Å; V29-V99 HydrophobicContact CG2-CG1 4.01Å
30	V	94	Very high	84.7	Confident	51 Å²	51	63.9 Å²	63.9	31%	0.309	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.3	-175.6	-178.7	0	0	0	0	110.1	Q35 S36 V99	V30-Q35 HydrophobicContact CG1-CB 4.17Å; V30-S36 WeakPolarHBondContact CA-O 3.28Å; V30-V99 PolarHBondContact O-N 3.08Å
31	D	94.3	Very high	86.8	Confident	8 Å²	8	60.6 Å²	60.6	4%	0.043	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	129.9	171.1	-171.1	-10.8	0	0	0	110.5	K33 D34 Q35 S36 L38 V99 V101	D31-K33 PolarHBondContact O-N 3.16Å; D31-K33 PolarHBondContact OD1-N 3Å; D31-D34 WeakPolarHBondContact CB-OD1 3.33Å; D31-Q35 WeakPolarHBondContact O-CA 3.45Å; D31-Q35 PolarHBondContact O-N 2.88Å; D31-Q35 PolarHBondContact O-NE2 3.26Å; D31-S36 PolarHBondContact N-O 3Å; D31-L38 HydrophobicContact CB-CD1 3.95Å; D31-V99 CarbonylContact C-O 3.54Å; D31-V99 WeakPolarHBondContact CA-O 3.14Å; D31-V99 HydrophobicContact CB-CG1 4.08Å; D31-V101 WeakPolarHBondContact OD2-CB 3.31Å
32	K	91.9	Very high	88.9	Confident	103 Å²	103	56.5 Å²	56.5	45%	0.448	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-33	175.8	-69.5	178.5	-178.5	177.8	0	112.3	Q35 S98 V99 Y109	K32-Q35 PolarHBondContact O-NE2 3.46Å; K32-S98 WeakPolarHBondContact CE-OG 3.28Å; K32-V99 WeakPolarHBondContact CG-O 3.36Å; K32-V99 PolarHBondContact N-O 3.13Å; K32-Y109 HydrophobicContact CD-CD2 4.49Å; K32-Y109 HydrophobicContact CD-CE2 4.44Å
33	K	89.8	Confident	90.8	Very high	125 Å²	125	52.4 Å²	52.4	54%	0.543	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-53.1	-172.3	-69.3	-179.5	-179.1	173.7	0	112.7	D31 V101 E102	D31-K33 PolarHBondContact O-N 3.16Å; D31-K33 PolarHBondContact OD1-N 3Å; K33-V101 WeakPolarHBondContact CE-O 3.11Å; K33-V101 PolarHBondContact NZ-O 3.01Å; K33-E102 IonicContact NZ-OE1 3.86Å
34	D	91.3	Very high	92	Very high	105 Å²	105	51.8 Å²	51.8	56%	0.561	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.1	1.7	-169.5	69.1	-2.4	0	0	0	113.9	D31 S36	D31-D34 WeakPolarHBondContact CB-OD1 3.33Å; D34-S36 PolarHBondContact O-N 3.44Å; D34-S36 WeakPolarHBondContact OD1-CB 3.4Å; D34-S36 PolarHBondContact OD1-N 2.89Å; D34-S36 PolarHBondContact OD1-OG 3.29Å; D34-S36 PolarHBondContact OD2-OG 3.15Å
35	Q	92.8	Very high	92.6	Very high	132 Å²	132	54 Å²	54	62%	0.617	28%	0.276	S	S	*	.			trans	61.3	18	-176.4	-55	-65.6	-62.4	0	0	114	V30 D31 K32	V30-Q35 HydrophobicContact CG1-CB 4.17Å; D31-Q35 WeakPolarHBondContact O-CA 3.45Å; D31-Q35 PolarHBondContact O-N 2.88Å; D31-Q35 PolarHBondContact O-NE2 3.26Å; K32-Q35 PolarHBondContact O-NE2 3.46Å
36	S	94.1	Very high	92.7	Very high	43 Å²	43	59.6 Å²	59.6	30%	0.301	32%	0.315	S	S	.	.			trans	-65	151.7	172.7	66.1	0	0	0	0	110.9	V30 D31 D34	V30-S36 WeakPolarHBondContact CA-O 3.28Å; D31-S36 PolarHBondContact N-O 3Å; D34-S36 PolarHBondContact O-N 3.44Å; D34-S36 WeakPolarHBondContact OD1-CB 3.4Å; D34-S36 PolarHBondContact OD1-N 2.89Å; D34-S36 PolarHBondContact OD1-OG 3.29Å; D34-S36 PolarHBondContact OD2-OG 3.15Å
37	K	94.6	Very high	92.5	Very high	162 Å²	162	60.1 Å²	60.1	70%	0.704	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	130.5	-179.5	-69.7	-178.9	-179.4	-177.3	0	110	T28 V29	T28-K37 HydrophobicContact CG2-CB 3.84Å; T28-K37 HydrophobicContact CG2-CD 4.1Å; T28-K37 HydrophobicContact CG2-CG 4.07Å; V29-K37 WeakPolarHBondContact O-CA 3.31Å
38	L	96.4	Very high	92.4	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.021	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	157.4	175	-66.1	89.9	0	0	0	110	T28 V29 D31 T54 N55 W60 V99 V101	T28-L38 CarbonylContact C-O 3.52Å; T28-L38 VanDerWaalsContact CA-O 3.28Å; T28-L38 WeakPolarHBondContact CA-O 3.3Å; V29-L38 HydrophobicContact CG2-CB 3.94Å; V29-L38 PolarHBondContact N-O 3.46Å; V29-L38 PolarHBondContact O-N 3.34Å; D31-L38 HydrophobicContact CB-CD1 3.95Å; L38-T54 CarbonylContact C-O 3.56Å; L38-T54 WeakPolarHBondContact CA-O 3.31Å; L38-T54 WeakPolarHBondContact CB-O 3.48Å; L38-N55 HydrophobicContact CD2-CB 4.21Å; L38-N55 HydrophobicContact CG-CB 4.16Å; L38-W60 HydrophobicContact CD2-CZ3 4.22Å; L38-V99 HydrophobicContact CD1-CG1 3.88Å; L38-V101 HydrophobicContact CD1-CG2 4.44Å; L38-V101 HydrophobicContact CD2-CG2 3.76Å
39	I	96.4	Very high	92.3	Very high	50 Å²	50	57.7 Å²	57.7	26%	0.256	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	120.5	170.3	-60.8	174.3	0	0	0	107.8	L53 T54 M140	I39-L53 CarbonylContact O-C 3.57Å; I39-L53 VanDerWaalsContact O-CA 3.27Å; I39-L53 WeakPolarHBondContact O-CA 3.38Å; I39-T54 HydrophobicContact CB-CG2 3.93Å; I39-T54 PolarHBondContact N-O 2.95Å; I39-T54 PolarHBondContact O-N 2.86Å; I39-M140 HydrophobicContact CD1-CE 4.23Å; I39-M140 HydrophobicContact CD1-SD 4.38Å
40	C	95.9	Very high	92.2	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.007	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	131.5	164.4	179.6	0	0	0	0	108.7	Y26 C27 V29 G52 L53	Y26-C40 CarbonylContact C-O 3.49Å; Y26-C40 WeakPolarHBondContact CA-O 3.36Å; C27-C40 PolarHBondContact N-O 3.17Å; C27-C40 PolarHBondContact O-N 3.2Å; V29-C40 HydrophobicContact CG1-CB 3.7Å; V29-C40 HydrophobicContact CG2-CB 4.26Å; C40-G52 WeakPolarHBondContact CA-O 3.5Å; C40-L53 HydrophobicContact CB-CD2 3.81Å
41	Y	95.1	Very high	92.3	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.008	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	154.1	179.4	66.2	-85.2	0	0	0	112.3	S25 H43 V51 G52 T54 V59 V132 L136	S25-Y41 CarbonylContact O-C 3.58Å; S25-Y41 VanDerWaalsContact O-CA 3.24Å; S25-Y41 WeakPolarHBondContact O-CA 3.43Å; Y41-H43 HydrophobicContact CD2-CB 4.26Å; Y41-H43 AromaticContact CD2-ND1 3.99Å; Y41-H43 HydrophobicContact CE2-CB 4.21Å; Y41-H43 AromaticContact CE2-CG 3.96Å; Y41-H43 AromaticContact CE2-ND1 3.53Å; Y41-V51 WeakPolarHBondContact O-CA 3.28Å; Y41-G52 WeakPolarHBondContact CD1-O 3.22Å; Y41-G52 VanDerWaalsContact CE1-C 3.45Å; Y41-G52 PolarHBondContact N-O 3.49Å; Y41-G52 PolarHBondContact O-N 2.85Å; Y41-T54 HydrophobicContact CE1-CG2 4.28Å; Y41-V59 VanDerWaalsContact OH-CG1 3.31Å; Y41-V59 WeakPolarHBondContact OH-CG1 3.42Å; Y41-V132 HydrophobicContact CE2-CG1 4.5Å; Y41-V132 WeakPolarHBondContact OH-CG1 3.25Å; Y41-L136 HydrophobicContact CD1-CD1 4.31Å; Y41-L136 HydrophobicContact CD1-CD2 3.71Å; Y41-L136 HydrophobicContact CD2-CD1 4.05Å; Y41-L136 HydrophobicContact CE1-CD2 3.75Å; Y41-L136 HydrophobicContact CG-CD1 3.9Å; Y41-L136 HydrophobicContact CG-CD2 4.16Å
42	T	93.3	Very high	92.3	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.018	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	146.7	168.7	61.7	0	0	0	0	110.1	Q23 S25 F49 I85 I88	Q23-T42 PolarHBondContact O-OG1 2.9Å; S25-T42 PolarHBondContact N-OG1 3.42Å; S25-T42 PolarHBondContact O-N 3.15Å; T42-F49 HydrophobicContact CG2-CE2 3.76Å; T42-F49 HydrophobicContact CG2-CZ 3.74Å; T42-I85 HydrophobicContact CG2-CG1 4.32Å; T42-I88 HydrophobicContact CG2-CD1 3.87Å
43	H	91.1	Very high	92.6	Very high	26 Å²	26	50.2 Å²	50.2	12%	0.12	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	170.7	174.4	68.4	-69.8	0	0	0	110.2	Y41 T45 N50 S61	Y41-H43 HydrophobicContact CD2-CB 4.26Å; Y41-H43 AromaticContact CD2-ND1 3.99Å; Y41-H43 HydrophobicContact CE2-CB 4.21Å; Y41-H43 AromaticContact CE2-CG 3.96Å; Y41-H43 AromaticContact CE2-ND1 3.53Å; H43-T45 PolarHBondContact CD2-OG1 3.06Å; H43-T45 PolarHBondContact NE2-OG1 2.94Å; H43-N50 WeakPolarHBondContact CE1-CB 3.12Å; H43-N50 PolarHBondContact N-O 2.64Å; H43-N50 PolarHBondContact ND1-O 3.42Å; H43-N50 PolarHBondContact O-N 2.83Å; H43-N50 VanDerWaalsContact O-O 3.07Å; H43-S61 PolarHBondContact CE1-OG 3.39Å
44	T	89.3	Confident	93	Very high	64 Å²	64	44.3 Å²	44.3	39%	0.393	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127.9	177.1	-55.3	0	0	0	0	107.7	G47 I48	T44-G47 VanDerWaalsContact CG2-CA 3.49Å; T44-I48 CarbonylContact C-O 3.54Å; T44-I48 VanDerWaalsContact CA-O 3.31Å; T44-I48 WeakPolarHBondContact CA-O 3.33Å
45	T	86.4	Confident	93.2	Very high	71 Å²	71	42.5 Å²	42.5	44%	0.436	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	121.2	177.4	-56.9	0	0	0	0	107.5	H43 G47 I48	H43-T45 PolarHBondContact CD2-OG1 3.06Å; H43-T45 PolarHBondContact NE2-OG1 2.94Å; T45-G47 PolarHBondContact O-N 3.38Å; T45-G47 VanDerWaalsContact O-N 3.15Å; T45-I48 PolarHBondContact N-O 2.85Å; T45-I48 PolarHBondContact O-N 2.87Å
46	S	87.3	Confident	93.3	Very high	125 Å²	125	39.4 Å²	39.4	87%	0.874	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	36.7	-177	-54.9	0	0	0	0	113.8	I48	S46-I48 VanDerWaalsContact C-N 3.28Å; S46-I48 PolarHBondContact O-N 2.93Å
47	G	86.5	Confident	93.2	Very high	71 Å²	71	45.1 Å²	45.1	73%	0.732	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	-3.3	-177.9	0	0	0	0	0	115.2	T44 T45	T44-G47 VanDerWaalsContact CG2-CA 3.49Å; T45-G47 PolarHBondContact O-N 3.38Å; T45-G47 VanDerWaalsContact O-N 3.15Å
48	I	90.7	Very high	93.3	Very high	49 Å²	49	38.7 Å²	38.7	25%	0.251	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.5	-179.9	-52	175.4	0	0	0	110.3	T44 T45 S46 N50 F64 L69	T44-I48 CarbonylContact C-O 3.54Å; T44-I48 VanDerWaalsContact CA-O 3.31Å; T44-I48 WeakPolarHBondContact CA-O 3.33Å; T45-I48 PolarHBondContact N-O 2.85Å; T45-I48 PolarHBondContact O-N 2.87Å; S46-I48 VanDerWaalsContact C-N 3.28Å; S46-I48 PolarHBondContact O-N 2.93Å; I48-N50 PolarHBondContact O-ND2 3Å; I48-N50 VanDerWaalsContact O-ND2 3.08Å; I48-F64 HydrophobicContact CG2-CB 4.15Å; I48-F64 VanDerWaalsContact CG2-O 3.3Å; I48-F64 WeakPolarHBondContact CG2-O 3.3Å; I48-L69 HydrophobicContact CG2-CD2 4.19Å
49	F	91.8	Very high	93.3	Very high	13 Å²	13	38.6 Å²	38.6	6%	0.057	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	135.1	177.7	171.9	-90.7	0	0	0	111.7	T42 V51 F64 L69 T81 Y84 I85	T42-F49 HydrophobicContact CG2-CE2 3.76Å; T42-F49 HydrophobicContact CG2-CZ 3.74Å; F49-V51 HydrophobicContact CE1-CG2 3.68Å; F49-V51 HydrophobicContact CZ-CG2 3.78Å; F49-F64 WeakPolarHBondContact O-CD2 3.31Å; F49-L69 HydrophobicContact CB-CD2 4.13Å; F49-L69 HydrophobicContact CD1-CD1 4.12Å; F49-T81 HydrophobicContact CB-CG2 3.58Å; F49-T81 HydrophobicContact CD1-CG2 3.88Å; F49-T81 HydrophobicContact CD2-CG2 3.13Å; F49-T81 HydrophobicContact CE1-CG2 4.37Å; F49-T81 HydrophobicContact CE2-CG2 3.67Å; F49-T81 HydrophobicContact CG-CG2 3.23Å; F49-T81 HydrophobicContact CZ-CG2 4.26Å; F49-Y84 HydrophobicContact CD1-CD1 4.17Å; F49-Y84 HydrophobicContact CD1-CE1 4.5Å; F49-Y84 AromaticContact CE1-CD1 3.29Å; F49-Y84 HydrophobicContact CE1-CD1 3.29Å; F49-Y84 AromaticContact CE1-CE1 3.52Å; F49-Y84 HydrophobicContact CE1-CE1 3.52Å; F49-Y84 HydrophobicContact CE1-CG 4.23Å; F49-Y84 AromaticContact CZ-CD1 3.88Å; F49-Y84 HydrophobicContact CZ-CD1 3.88Å; F49-Y84 HydrophobicContact CZ-CE1 4.22Å; F49-Y84 HydrophobicContact CZ-CG 4.43Å; F49-I85 HydrophobicContact CD2-CD1 4.5Å; F49-I85 HydrophobicContact CE2-CD1 3.96Å; F49-I85 HydrophobicContact CE2-CG1 3.63Å; F49-I85 HydrophobicContact CZ-CG1 4.12Å
50	N	93.9	Very high	93.4	Very high	8 Å²	8	36.4 Å²	36.4	4%	0.043	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	157.7	178	-76.4	-73.8	0	0	0	111.9	H43 I48 T62 F64	H43-N50 WeakPolarHBondContact CE1-CB 3.12Å; H43-N50 PolarHBondContact N-O 2.64Å; H43-N50 PolarHBondContact ND1-O 3.42Å; H43-N50 PolarHBondContact O-N 2.83Å; H43-N50 VanDerWaalsContact O-O 3.07Å; I48-N50 PolarHBondContact O-ND2 3Å; I48-N50 VanDerWaalsContact O-ND2 3.08Å; N50-T62 VanDerWaalsContact CA-OG1 3.29Å; N50-T62 WeakPolarHBondContact CA-OG1 3.3Å; N50-T62 VanDerWaalsContact CB-OG1 3.29Å; N50-T62 WeakPolarHBondContact CB-OG1 3.22Å; N50-T62 VanDerWaalsContact OD1-C 3.32Å; N50-T62 PolarHBondContact OD1-O 2.9Å; N50-T62 PolarHBondContact OD1-OG1 2.92Å; N50-F64 WeakPolarHBondContact OD1-CB 3.45Å; N50-F64 PolarHBondContact OD1-N 2.95Å
51	V	94.8	Very high	93.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	137.1	172.4	-178.1	0	0	0	0	108.2	Y41 F49 S61 T62 Y84 I88 L108 L121	Y41-V51 WeakPolarHBondContact O-CA 3.28Å; F49-V51 HydrophobicContact CE1-CG2 3.68Å; F49-V51 HydrophobicContact CZ-CG2 3.78Å; V51-S61 WeakPolarHBondContact O-CA 3.39Å; V51-T62 HydrophobicContact CB-CG2 4.34Å; V51-T62 PolarHBondContact N-OG1 2.91Å; V51-T62 PolarHBondContact O-N 2.97Å; V51-T62 PolarHBondContact O-OG1 3.26Å; V51-Y84 HydrophobicContact CG2-CE1 3.77Å; V51-Y84 WeakPolarHBondContact CG2-OH 3.49Å; V51-I88 HydrophobicContact CG1-CD1 4.49Å; V51-I88 HydrophobicContact CG2-CD1 3.89Å; V51-L108 HydrophobicContact CG1-CD2 3.9Å; V51-L121 VanDerWaalsContact O-CD2 3.28Å; V51-L121 WeakPolarHBondContact O-CD2 3.41Å
52	G	95.9	Very high	93.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	156.7	177.8	0	0	0	0	0	112.7	C40 Y41 W60	C40-G52 WeakPolarHBondContact CA-O 3.5Å; Y41-G52 WeakPolarHBondContact CD1-O 3.22Å; Y41-G52 VanDerWaalsContact CE1-C 3.45Å; Y41-G52 PolarHBondContact N-O 3.49Å; Y41-G52 PolarHBondContact O-N 2.85Å; G52-W60 CarbonylContact C-O 3.56Å; G52-W60 WeakPolarHBondContact CA-O 3.36Å
53	L	97.3	Very high	93.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	144.1	173.4	-71.2	166.3	0	0	0	109.5	V29 I39 C40 V59 W60 V99 A106 L108 L121	V29-L53 HydrophobicContact CG2-CD2 3.81Å; I39-L53 CarbonylContact O-C 3.57Å; I39-L53 VanDerWaalsContact O-CA 3.27Å; I39-L53 WeakPolarHBondContact O-CA 3.38Å; C40-L53 HydrophobicContact CB-CD2 3.81Å; L53-V59 WeakPolarHBondContact O-CA 3.4Å; L53-W60 HydrophobicContact CB-CB 4.35Å; L53-W60 HydrophobicContact CB-CE3 4.4Å; L53-W60 PolarHBondContact N-O 2.73Å; L53-W60 PolarHBondContact O-N 3.18Å; L53-V99 HydrophobicContact CD1-CG2 3.6Å; L53-A106 HydrophobicContact CD1-CB 3.92Å; L53-L108 HydrophobicContact CD1-CB 4.41Å; L53-L108 HydrophobicContact CD2-CD1 4.39Å; L53-L121 HydrophobicContact CB-CD2 4.37Å; L53-L121 HydrophobicContact CD1-CD1 3.81Å; L53-L121 HydrophobicContact CD1-CD2 3.95Å; L53-L121 HydrophobicContact CD1-CG 4.43Å; L53-L121 HydrophobicContact CG-CD2 3.94Å
54	T	97.4	Very high	93.6	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	142.5	171	-178	0	0	0	0	112	L38 I39 Y41 A56 D58 L133 L136	L38-T54 CarbonylContact C-O 3.56Å; L38-T54 WeakPolarHBondContact CA-O 3.31Å; L38-T54 WeakPolarHBondContact CB-O 3.48Å; I39-T54 HydrophobicContact CB-CG2 3.93Å; I39-T54 PolarHBondContact N-O 2.95Å; I39-T54 PolarHBondContact O-N 2.86Å; Y41-T54 HydrophobicContact CE1-CG2 4.28Å; T54-A56 VanDerWaalsContact C-N 3.31Å; T54-A56 PolarHBondContact OG1-N 2.94Å; T54-D58 VanDerWaalsContact CA-O 3.28Å; T54-D58 WeakPolarHBondContact CA-O 3.29Å; T54-D58 VanDerWaalsContact CB-O 3.32Å; T54-D58 WeakPolarHBondContact CB-O 3.35Å; T54-D58 PolarHBondContact OG1-O 3.31Å; T54-L133 HydrophobicContact CG2-CD1 4.43Å; T54-L136 HydrophobicContact CG2-CD2 3.81Å
55	N	95.6	Very high	93.8	Very high	68 Å²	68	42.9 Å²	42.9	36%	0.364	26%	0.261	S	S	.	.			trans	-96.4	18.4	167.6	65.2	1.5	0	0	0	111.6	L38 F57 D58	L38-N55 HydrophobicContact CD2-CB 4.21Å; L38-N55 HydrophobicContact CG-CB 4.16Å; N55-F57 PolarHBondContact O-N 3.36Å; N55-F57 WeakPolarHBondContact OD1-CA 3.29Å; N55-F57 PolarHBondContact OD1-N 2.85Å; N55-D58 PolarHBondContact N-O 3.29Å; N55-D58 PolarHBondContact OD1-N 2.87Å; N55-D58 PolarHBondContact OD1-O 3.44Å
56	A	95.1	Very high	94.1	Very high	67 Å²	67	46.2 Å²	46.2	55%	0.554	27%	0.272	S	S	*	.	S	Bend	trans	66.4	9.7	-172.2	0	0	0	0	0	115.8	T54 L133	T54-A56 VanDerWaalsContact C-N 3.31Å; T54-A56 PolarHBondContact OG1-N 2.94Å; A56-L133 WeakPolarHBondContact O-CD2 3.47Å
57	F	93.1	Very high	94.5	Very high	162 Å²	162	46.4 Å²	46.4	71%	0.711	26%	0.259	S	S	*	.	S	Bend	trans	-125.5	-57.8	170.9	-178.9	-101.7	0	0	0	110.4	N55	N55-F57 PolarHBondContact O-N 3.36Å; N55-F57 WeakPolarHBondContact OD1-CA 3.29Å; N55-F57 PolarHBondContact OD1-N 2.85Å
58	D	96.4	Very high	94.8	Very high	28 Å²	28	45.6 Å²	45.6	15%	0.15	24%	0.24	C	C	.	.			trans	-95.1	154.5	173.3	-69.6	-52.9	0	0	0	111.8	T54 N55 W60 R123	T54-D58 VanDerWaalsContact CA-O 3.28Å; T54-D58 WeakPolarHBondContact CA-O 3.29Å; T54-D58 VanDerWaalsContact CB-O 3.32Å; T54-D58 WeakPolarHBondContact CB-O 3.35Å; T54-D58 PolarHBondContact OG1-O 3.31Å; N55-D58 PolarHBondContact N-O 3.29Å; N55-D58 PolarHBondContact OD1-N 2.87Å; N55-D58 PolarHBondContact OD1-O 3.44Å; D58-W60 HydrophobicContact CB-CE3 4.29Å; D58-W60 HydrophobicContact CB-CH2 3.34Å; D58-W60 HydrophobicContact CB-CZ2 3.91Å; D58-W60 HydrophobicContact CB-CZ3 3.56Å; D58-R123 VanDerWaalsContact CG-NH2 3.3Å; D58-R123 IonicContact OD1-CZ 3.13Å; D58-R123 IonicContact OD1-NE 3Å; D58-R123 PolarHBondContact OD1-NE 2.78Å; D58-R123 IonicContact OD1-NH2 2.64Å; D58-R123 PolarHBondContact OD1-NH2 3.21Å; D58-R123 IonicContact OD2-CZ 3.78Å; D58-R123 IonicContact OD2-NH2 3.42Å; D58-R123 PolarHBondContact OD2-NH2 3.48Å
59	V	97.4	Very high	94.9	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.9	176.7	-177.1	0	0	0	0	108.7	Y41 L53 L124 A129 V132 L133	Y41-V59 VanDerWaalsContact OH-CG1 3.31Å; Y41-V59 WeakPolarHBondContact OH-CG1 3.42Å; L53-V59 WeakPolarHBondContact O-CA 3.4Å; V59-L124 HydrophobicContact CB-CD1 4.15Å; V59-L124 HydrophobicContact CB-CG 4.47Å; V59-L124 HydrophobicContact CG1-CD1 3.62Å; V59-L124 HydrophobicContact CG1-CG 4.23Å; V59-L124 PolarHBondContact O-N 3.29Å; V59-A129 HydrophobicContact CB-CB 3.96Å; V59-A129 HydrophobicContact CG2-CB 3.91Å; V59-V132 HydrophobicContact CG1-CG1 3.98Å; V59-L133 HydrophobicContact CG2-CB 4.43Å
60	W	97.9	Very high	94.9	Very high	5 Å²	5	46 Å²	46	2%	0.019	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	142.5	169.1	-59.3	-104.1	0	0	0	108.9	L38 G52 L53 D58 V101 A106 L121 S122 R123	L38-W60 HydrophobicContact CD2-CZ3 4.22Å; G52-W60 CarbonylContact C-O 3.56Å; G52-W60 WeakPolarHBondContact CA-O 3.36Å; L53-W60 HydrophobicContact CB-CB 4.35Å; L53-W60 HydrophobicContact CB-CE3 4.4Å; L53-W60 PolarHBondContact N-O 2.73Å; L53-W60 PolarHBondContact O-N 3.18Å; D58-W60 HydrophobicContact CB-CE3 4.29Å; D58-W60 HydrophobicContact CB-CH2 3.34Å; D58-W60 HydrophobicContact CB-CZ2 3.91Å; D58-W60 HydrophobicContact CB-CZ3 3.56Å; W60-V101 HydrophobicContact CH2-CG1 3.67Å; W60-V101 HydrophobicContact CZ2-CG1 3.35Å; W60-V101 HydrophobicContact CZ3-CG1 4.49Å; W60-A106 HydrophobicContact CB-CB 4.19Å; W60-A106 HydrophobicContact CD2-CB 4.18Å; W60-A106 HydrophobicContact CG-CB 3.8Å; W60-L121 HydrophobicContact CB-CB 3.78Å; W60-L121 HydrophobicContact CB-CD2 4.5Å; W60-S122 CarbonylContact C-O 3.49Å; W60-S122 VanDerWaalsContact CA-O 3.28Å; W60-S122 WeakPolarHBondContact CA-O 3.41Å; W60-R123 HydrophobicContact CG-CB 4.4Å
61	S	96.4	Very high	94.8	Very high	8 Å²	8	50.8 Å²	50.8	6%	0.056	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	151.2	176.6	-172.2	0	0	0	0	110.5	H43 V51 L121 S122	H43-S61 PolarHBondContact CE1-OG 3.39Å; V51-S61 WeakPolarHBondContact O-CA 3.39Å; S61-L121 WeakPolarHBondContact O-CA 3.44Å; S61-S122 PolarHBondContact N-O 3.21Å; S61-S122 PolarHBondContact O-N 2.83Å
62	T	95.9	Very high	94.6	Very high	5 Å²	5	51.8 Å²	51.8	3%	0.031	27%	0.269	C	S	.	.			trans	-64.8	147.9	156.2	56.8	0	0	0	0	109.2	N50 V51 F64 V119 L121	N50-T62 VanDerWaalsContact CA-OG1 3.29Å; N50-T62 WeakPolarHBondContact CA-OG1 3.3Å; N50-T62 VanDerWaalsContact CB-OG1 3.29Å; N50-T62 WeakPolarHBondContact CB-OG1 3.22Å; N50-T62 VanDerWaalsContact OD1-C 3.32Å; N50-T62 PolarHBondContact OD1-O 2.9Å; N50-T62 PolarHBondContact OD1-OG1 2.92Å; V51-T62 HydrophobicContact CB-CG2 4.34Å; V51-T62 PolarHBondContact N-OG1 2.91Å; V51-T62 PolarHBondContact O-N 2.97Å; V51-T62 PolarHBondContact O-OG1 3.26Å; T62-F64 HydrophobicContact CG2-CD2 4.14Å; T62-F64 HydrophobicContact CG2-CE2 3.69Å; T62-F64 HydrophobicContact CG2-CZ 4.01Å; T62-F64 WeakPolarHBondContact OG1-CD2 3.37Å; T62-V119 HydrophobicContact CG2-CG1 3.4Å; T62-L121 HydrophobicContact CG2-CD2 4.45Å; T62-L121 HydrophobicContact CG2-CG 4.05Å
63	D	92.9	Very high	94.4	Very high	125 Å²	125	54.5 Å²	54.5	67%	0.668	28%	0.28	S	S	*	.			trans	-109.8	45	173.5	61.1	-21.7	0	0	0	109.6	T65	D63-T65 PolarHBondContact O-N 3.04Å; D63-T65 VanDerWaalsContact O-N 3.16Å
64	F	93.6	Very high	94.1	Very high	25 Å²	25	62 Å²	62	11%	0.11	32%	0.315	C	S	.	.			trans	-60.9	126.3	-175.3	-76.1	-47.2	0	0	0	110.5	I48 F49 N50 T62 L69 F72 V119	I48-F64 HydrophobicContact CG2-CB 4.15Å; I48-F64 VanDerWaalsContact CG2-O 3.3Å; I48-F64 WeakPolarHBondContact CG2-O 3.3Å; F49-F64 WeakPolarHBondContact O-CD2 3.31Å; N50-F64 WeakPolarHBondContact OD1-CB 3.45Å; N50-F64 PolarHBondContact OD1-N 2.95Å; T62-F64 HydrophobicContact CG2-CD2 4.14Å; T62-F64 HydrophobicContact CG2-CE2 3.69Å; T62-F64 HydrophobicContact CG2-CZ 4.01Å; T62-F64 WeakPolarHBondContact OG1-CD2 3.37Å; F64-L69 HydrophobicContact CB-CB 4.13Å; F64-L69 HydrophobicContact CB-CD1 4.46Å; F64-L69 HydrophobicContact CD1-CB 4.41Å; F64-L69 HydrophobicContact CD1-CD1 4.43Å; F64-L69 HydrophobicContact CD2-CD1 3.69Å; F64-L69 HydrophobicContact CE2-CD1 3.93Å; F64-L69 HydrophobicContact CG-CB 4.23Å; F64-L69 HydrophobicContact CG-CD1 3.97Å; F64-L69 HydrophobicContact CZ-CD1 4.42Å; F64-F72 HydrophobicContact CE1-CB 4.09Å; F64-F72 HydrophobicContact CE1-CD2 4.15Å; F64-F72 HydrophobicContact CE1-CG 4.11Å; F64-F72 HydrophobicContact CZ-CB 4.36Å; F64-F72 HydrophobicContact CZ-CD1 4.21Å; F64-F72 AromaticContact CZ-CD2 3.95Å; F64-F72 HydrophobicContact CZ-CD2 3.95Å; F64-F72 HydrophobicContact CZ-CE1 4.5Å; F64-F72 HydrophobicContact CZ-CE2 4.25Å; F64-F72 AromaticContact CZ-CG 3.92Å; F64-F72 HydrophobicContact CZ-CG 3.92Å; F64-F72 HydrophobicContact CZ-CZ 4.5Å; F64-V119 HydrophobicContact CZ-CG1 4.36Å
65	T	94.1	Very high	93.7	Very high	68 Å²	68	69.4 Å²	69.4	42%	0.417	35%	0.347	S	S	.	.			trans	-88.4	164.7	158.3	65.7	0	0	0	0	109	D63 E67 T68 L69	D63-T65 PolarHBondContact O-N 3.04Å; D63-T65 VanDerWaalsContact O-N 3.16Å; T65-E67 PolarHBondContact O-N 2.86Å; T65-T68 PolarHBondContact N-OG1 3.21Å; T65-T68 PolarHBondContact O-N 3.39Å; T65-T68 PolarHBondContact O-OG1 3.08Å; T65-T68 WeakPolarHBondContact OG1-CG2 3.41Å; T65-T68 PolarHBondContact OG1-N 3.16Å; T65-T68 VanDerWaalsContact OG1-N 3.13Å; T65-T68 PolarHBondContact OG1-OG1 2.81Å; T65-L69 VanDerWaalsContact O-CB 3.28Å; T65-L69 WeakPolarHBondContact O-CB 3.48Å; T65-L69 PolarHBondContact O-N 2.91Å
66	E	92.5	Very high	93.3	Very high	141 Å²	141	67.8 Å²	67.8	66%	0.659	34%	0.337	S	S	*	.	H	α-helix	trans	-55.1	-42.1	174.7	-173.5	177.2	-179.5	0	0	111.3	N70	E66-N70 VanDerWaalsContact O-CB 3.31Å; E66-N70 WeakPolarHBondContact O-CB 3.33Å; E66-N70 PolarHBondContact O-N 2.62Å; E66-N70 PolarHBondContact O-ND2 3.02Å; E66-N70 PolarHBondContact O-OD1 3.33Å
67	E	94.8	Very high	93	Very high	130 Å²	130	68.8 Å²	68.8	61%	0.607	35%	0.345	S	S	*	.	H	α-helix	trans	-62.9	-52.4	177.5	-175	-179.1	178.7	0	0	112.5	T65 L69 N70 Q71	T65-E67 PolarHBondContact O-N 2.86Å; E67-L69 VanDerWaalsContact C-N 3.33Å; E67-L69 PolarHBondContact O-N 2.94Å; E67-N70 WeakPolarHBondContact O-CB 3.45Å; E67-N70 PolarHBondContact O-N 3.5Å; E67-N70 VanDerWaalsContact O-N 3.15Å; E67-Q71 WeakPolarHBondContact O-CG 3.41Å; E67-Q71 PolarHBondContact O-N 2.95Å; E67-Q71 PolarHBondContact OE1-NE2 2.96Å
68	T	93.5	Very high	92.7	Very high	53 Å²	53	61.9 Å²	61.9	33%	0.325	32%	0.315	S	S	.	.	H	α-helix	trans	-67.8	-34.8	-177.2	51	0	0	0	0	111.7	T65 Q71 F72	T65-T68 PolarHBondContact N-OG1 3.21Å; T65-T68 PolarHBondContact O-N 3.39Å; T65-T68 PolarHBondContact O-OG1 3.08Å; T65-T68 WeakPolarHBondContact OG1-CG2 3.41Å; T65-T68 PolarHBondContact OG1-N 3.16Å; T65-T68 VanDerWaalsContact OG1-N 3.13Å; T65-T68 PolarHBondContact OG1-OG1 2.81Å; T68-Q71 PolarHBondContact O-N 3Å; T68-F72 WeakPolarHBondContact O-CB 3.42Å; T68-F72 PolarHBondContact O-N 2.79Å
69	L	92.3	Very high	92.3	Very high	12 Å²	12	69.5 Å²	69.5	6%	0.063	35%	0.347	C	S	.	.	H	α-helix	trans	-64.8	-41.5	171.9	-171.9	64	0	0	0	111.2	I48 F49 F64 T65 E67 F72 R73	I48-L69 HydrophobicContact CG2-CD2 4.19Å; F49-L69 HydrophobicContact CB-CD2 4.13Å; F49-L69 HydrophobicContact CD1-CD1 4.12Å; F64-L69 HydrophobicContact CB-CB 4.13Å; F64-L69 HydrophobicContact CB-CD1 4.46Å; F64-L69 HydrophobicContact CD1-CB 4.41Å; F64-L69 HydrophobicContact CD1-CD1 4.43Å; F64-L69 HydrophobicContact CD2-CD1 3.69Å; F64-L69 HydrophobicContact CE2-CD1 3.93Å; F64-L69 HydrophobicContact CG-CB 4.23Å; F64-L69 HydrophobicContact CG-CD1 3.97Å; F64-L69 HydrophobicContact CZ-CD1 4.42Å; T65-L69 VanDerWaalsContact O-CB 3.28Å; T65-L69 WeakPolarHBondContact O-CB 3.48Å; T65-L69 PolarHBondContact O-N 2.91Å; E67-L69 VanDerWaalsContact C-N 3.33Å; E67-L69 PolarHBondContact O-N 2.94Å; L69-F72 WeakPolarHBondContact O-CB 3.28Å; L69-F72 PolarHBondContact O-N 2.79Å; L69-R73 WeakPolarHBondContact O-CG 3.43Å; L69-R73 PolarHBondContact O-N 2.77Å
70	N	92.4	Very high	91.9	Very high	58 Å²	58	70.9 Å²	70.9	31%	0.31	36%	0.357	S	S	.	.	H	α-helix	trans	-63.5	-46.4	176.5	-68	-13.6	0	0	0	111.1	E66 E67 F72 R73 Q74	E66-N70 VanDerWaalsContact O-CB 3.31Å; E66-N70 WeakPolarHBondContact O-CB 3.33Å; E66-N70 PolarHBondContact O-N 2.62Å; E66-N70 PolarHBondContact O-ND2 3.02Å; E66-N70 PolarHBondContact O-OD1 3.33Å; E67-N70 WeakPolarHBondContact O-CB 3.45Å; E67-N70 PolarHBondContact O-N 3.5Å; E67-N70 VanDerWaalsContact O-N 3.15Å; N70-F72 VanDerWaalsContact C-N 3.31Å; N70-F72 PolarHBondContact O-N 2.91Å; N70-R73 PolarHBondContact O-N 2.93Å; N70-R73 PolarHBondContact OD1-NH1 3.26Å; N70-R73 PolarHBondContact OD1-NH2 2.75Å; N70-Q74 WeakPolarHBondContact O-CG 3.38Å; N70-Q74 PolarHBondContact O-N 2.96Å
71	Q	92.5	Very high	91.5	Very high	110 Å²	110	72.7 Å²	72.7	51%	0.514	37%	0.368	S	S	.	.	H	α-helix	trans	-59.7	-42.7	175.1	-70.5	176.9	8	0	0	111.5	E67 T68 Q74 K75	E67-Q71 WeakPolarHBondContact O-CG 3.41Å; E67-Q71 PolarHBondContact O-N 2.95Å; E67-Q71 PolarHBondContact OE1-NE2 2.96Å; T68-Q71 PolarHBondContact O-N 3Å; Q71-Q74 PolarHBondContact O-N 3.15Å; Q71-K75 WeakPolarHBondContact O-CB 3.3Å; Q71-K75 PolarHBondContact O-N 3.37Å
72	F	90.6	Very high	91.1	Very high	20 Å²	20	77.4 Å²	77.4	9%	0.088	39%	0.39	C	S	.	.	H	α-helix	trans	-61.1	-45.5	176.5	-176.6	-91.2	0	0	0	111.7	F64 T68 L69 N70 Q74 K75 F76 L78 Y84 L117 V119	F64-F72 HydrophobicContact CE1-CB 4.09Å; F64-F72 HydrophobicContact CE1-CD2 4.15Å; F64-F72 HydrophobicContact CE1-CG 4.11Å; F64-F72 HydrophobicContact CZ-CB 4.36Å; F64-F72 HydrophobicContact CZ-CD1 4.21Å; F64-F72 AromaticContact CZ-CD2 3.95Å; F64-F72 HydrophobicContact CZ-CD2 3.95Å; F64-F72 HydrophobicContact CZ-CE1 4.5Å; F64-F72 HydrophobicContact CZ-CE2 4.25Å; F64-F72 AromaticContact CZ-CG 3.92Å; F64-F72 HydrophobicContact CZ-CG 3.92Å; F64-F72 HydrophobicContact CZ-CZ 4.5Å; T68-F72 WeakPolarHBondContact O-CB 3.42Å; T68-F72 PolarHBondContact O-N 2.79Å; L69-F72 WeakPolarHBondContact O-CB 3.28Å; L69-F72 PolarHBondContact O-N 2.79Å; N70-F72 VanDerWaalsContact C-N 3.31Å; N70-F72 PolarHBondContact O-N 2.91Å; F72-Q74 VanDerWaalsContact C-N 3.32Å; F72-Q74 PolarHBondContact O-N 2.82Å; F72-K75 PolarHBondContact O-N 3.42Å; F72-F76 HydrophobicContact CD1-CD2 4.21Å; F72-F76 AromaticContact CD2-CD2 3.79Å; F72-F76 HydrophobicContact CD2-CD2 3.79Å; F72-F76 AromaticContact CD2-CE2 3.61Å; F72-F76 HydrophobicContact CD2-CE2 3.61Å; F72-F76 HydrophobicContact CE1-CD2 4.05Å; F72-F76 AromaticContact CE2-CD2 3.62Å; F72-F76 HydrophobicContact CE2-CD2 3.62Å; F72-F76 AromaticContact CE2-CE2 3.28Å; F72-F76 HydrophobicContact CE2-CE2 3.28Å; F72-F76 HydrophobicContact CE2-CZ 4.33Å; F72-F76 HydrophobicContact CG-CD2 4.09Å; F72-F76 HydrophobicContact CG-CE2 4.37Å; F72-F76 AromaticContact CZ-CD2 3.76Å; F72-F76 HydrophobicContact CZ-CD2 3.76Å; F72-F76 AromaticContact CZ-CE2 3.82Å; F72-F76 HydrophobicContact CZ-CE2 3.82Å; F72-F76 WeakPolarHBondContact O-CD2 3.5Å; F72-F76 PolarHBondContact O-N 2.96Å; F72-F76 VanDerWaalsContact O-N 3.12Å; F72-L78 HydrophobicContact CD1-CD1 4.15Å; F72-L78 HydrophobicContact CE1-CD1 3.87Å; F72-Y84 HydrophobicContact CD1-CE1 4.45Å; F72-Y84 AromaticContact CE1-CD1 3.98Å; F72-Y84 HydrophobicContact CE1-CD1 3.98Å; F72-Y84 AromaticContact CE1-CE1 3.59Å; F72-Y84 HydrophobicContact CE1-CE1 3.59Å; F72-Y84 HydrophobicContact CE1-CE2 4.5Å; F72-Y84 AromaticContact CE1-CZ 3.93Å; F72-Y84 HydrophobicContact CZ-CE1 4.1Å; F72-L117 HydrophobicContact CE1-CD1 3.83Å; F72-L117 HydrophobicContact CE2-CD1 4.05Å; F72-L117 HydrophobicContact CZ-CD1 3.29Å; F72-L117 HydrophobicContact CZ-CG 4.2Å; F72-V119 HydrophobicContact CE2-CB 4.47Å; F72-V119 HydrophobicContact CE2-CG2 3.56Å; F72-V119 HydrophobicContact CZ-CG2 3.33Å
73	R	90.9	Very high	90.7	Very high	58 Å²	58	79.8 Å²	79.8	22%	0.219	40%	0.402	C	S	.	.	H	α-helix	trans	-60.1	-42	176	-71.2	-161.6	-50.9	-81.5	6.3	112	L69 N70 F76 A77 L78	L69-R73 WeakPolarHBondContact O-CG 3.43Å; L69-R73 PolarHBondContact O-N 2.77Å; N70-R73 PolarHBondContact O-N 2.93Å; N70-R73 PolarHBondContact OD1-NH1 3.26Å; N70-R73 PolarHBondContact OD1-NH2 2.75Å; R73-F76 PolarHBondContact O-N 2.72Å; R73-A77 CarbonylContact O-C 3.54Å; R73-A77 WeakPolarHBondContact O-CA 3.32Å; R73-A77 PolarHBondContact O-N 3.19Å; R73-L78 HydrophobicContact CB-CB 4.16Å; R73-L78 HydrophobicContact CG-CB 4.13Å; R73-L78 PolarHBondContact O-N 3.18Å
74	Q	90.8	Very high	90.5	Very high	158 Å²	158	74 Å²	74	74%	0.738	37%	0.371	S	S	*	.	H	α-helix	trans	-65.2	-47	176.3	-65.6	-59	-26.7	0	0	112.1	N70 Q71 F72 F76 A77	N70-Q74 WeakPolarHBondContact O-CG 3.38Å; N70-Q74 PolarHBondContact O-N 2.96Å; Q71-Q74 PolarHBondContact O-N 3.15Å; F72-Q74 VanDerWaalsContact C-N 3.32Å; F72-Q74 PolarHBondContact O-N 2.82Å; Q74-F76 PolarHBondContact O-N 3.41Å; Q74-A77 PolarHBondContact O-N 2.98Å
75	K	89.6	Confident	90.4	Very high	156 Å²	156	73.2 Å²	73.2	68%	0.678	37%	0.368	S	S	*	.	H	α-helix	trans	-55.3	-36.5	179.6	-180	177.5	175.6	-176.9	0	112.4	Q71 F72	Q71-K75 WeakPolarHBondContact O-CB 3.3Å; Q71-K75 PolarHBondContact O-N 3.37Å; F72-K75 PolarHBondContact O-N 3.42Å
76	F	86.4	Confident	90.1	Very high	33 Å²	33	74.8 Å²	74.8	15%	0.145	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	14.3	-176.1	-64	-72.8	0	0	0	114.2	F72 R73 Q74 L78 L117	F72-F76 HydrophobicContact CD1-CD2 4.21Å; F72-F76 AromaticContact CD2-CD2 3.79Å; F72-F76 HydrophobicContact CD2-CD2 3.79Å; F72-F76 AromaticContact CD2-CE2 3.61Å; F72-F76 HydrophobicContact CD2-CE2 3.61Å; F72-F76 HydrophobicContact CE1-CD2 4.05Å; F72-F76 AromaticContact CE2-CD2 3.62Å; F72-F76 HydrophobicContact CE2-CD2 3.62Å; F72-F76 AromaticContact CE2-CE2 3.28Å; F72-F76 HydrophobicContact CE2-CE2 3.28Å; F72-F76 HydrophobicContact CE2-CZ 4.33Å; F72-F76 HydrophobicContact CG-CD2 4.09Å; F72-F76 HydrophobicContact CG-CE2 4.37Å; F72-F76 AromaticContact CZ-CD2 3.76Å; F72-F76 HydrophobicContact CZ-CD2 3.76Å; F72-F76 AromaticContact CZ-CE2 3.82Å; F72-F76 HydrophobicContact CZ-CE2 3.82Å; F72-F76 WeakPolarHBondContact O-CD2 3.5Å; F72-F76 PolarHBondContact O-N 2.96Å; F72-F76 VanDerWaalsContact O-N 3.12Å; R73-F76 PolarHBondContact O-N 2.72Å; Q74-F76 PolarHBondContact O-N 3.41Å; F76-L78 HydrophobicContact CB-CD1 4.22Å; F76-L78 HydrophobicContact CB-CG 4.1Å; F76-L78 PolarHBondContact O-N 3.12Å; F76-L117 HydrophobicContact CB-CD1 3.71Å; F76-L117 HydrophobicContact CD1-CB 4.25Å; F76-L117 HydrophobicContact CD1-CD1 3.4Å; F76-L117 HydrophobicContact CD1-CG 4.47Å; F76-L117 HydrophobicContact CD2-CD1 3.23Å; F76-L117 HydrophobicContact CE1-CB 4.34Å; F76-L117 HydrophobicContact CE1-CD1 3.67Å; F76-L117 HydrophobicContact CE2-CD1 3.53Å; F76-L117 HydrophobicContact CG-CD1 3.16Å; F76-L117 HydrophobicContact CZ-CD1 3.72Å
77	A	88.4	Confident	89.9	Confident	88 Å²	88	71.5 Å²	71.5	73%	0.727	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	39.3	179.4	0	0	0	0	0	114.3	R73 Q74	R73-A77 CarbonylContact O-C 3.54Å; R73-A77 WeakPolarHBondContact O-CA 3.32Å; R73-A77 PolarHBondContact O-N 3.19Å; Q74-A77 PolarHBondContact O-N 2.98Å
78	L	87.4	Confident	89.7	Confident	18 Å²	18	65.3 Å²	65.3	9%	0.094	33%	0.328	C	S	.	.			trans	-86.3	130	177.4	-58.2	171.3	0	0	0	109.8	F72 R73 F76 D83 Y84 K87	F72-L78 HydrophobicContact CD1-CD1 4.15Å; F72-L78 HydrophobicContact CE1-CD1 3.87Å; R73-L78 HydrophobicContact CB-CB 4.16Å; R73-L78 HydrophobicContact CG-CB 4.13Å; R73-L78 PolarHBondContact O-N 3.18Å; F76-L78 HydrophobicContact CB-CD1 4.22Å; F76-L78 HydrophobicContact CB-CG 4.1Å; F76-L78 PolarHBondContact O-N 3.12Å; L78-D83 HydrophobicContact CD2-CB 4.47Å; L78-Y84 HydrophobicContact CD1-CD1 4.47Å; L78-Y84 HydrophobicContact CD1-CD2 4.43Å; L78-Y84 HydrophobicContact CD1-CG 4.07Å; L78-K87 HydrophobicContact CD2-CD 4.35Å
79	K	88.6	Confident	89.5	Confident	187 Å²	187	69.6 Å²	69.6	81%	0.813	34%	0.338	S	S	*	.	S	Bend	trans	-83.7	-31.9	-177.1	-53	173	-179.9	173.6	0	112.3	D83	K79-D83 WeakPolarHBondContact CB-OD2 3.43Å; K79-D83 WeakPolarHBondContact CG-OD2 3.45Å; K79-D83 PolarHBondContact N-OD2 3.5Å
80	S	89.2	Confident	89.3	Confident	31 Å²	31	73 Å²	73	22%	0.217	36%	0.363	C	S	.	.	S	Bend	trans	-147.3	175.9	177.6	78.2	0	0	0	0	111.7	E82 D83	S80-E82 VanDerWaalsContact C-N 3.3Å; S80-E82 WeakPolarHBondContact CB-OE2 3.28Å; S80-E82 PolarHBondContact OG-N 2.81Å; S80-E82 VanDerWaalsContact OG-N 3.11Å; S80-E82 PolarHBondContact OG-OE2 2.95Å; S80-D83 PolarHBondContact O-N 2.97Å; S80-D83 PolarHBondContact OG-N 2.82Å
81	T	88.6	Confident	89.1	Confident	42 Å²	42	70.7 Å²	70.7	26%	0.258	35%	0.352	S	S	.	.	H	α-helix	trans	-66	-33.1	169	-60.1	0	0	0	0	111.8	F49 D83 Y84 I85	F49-T81 HydrophobicContact CB-CG2 3.58Å; F49-T81 HydrophobicContact CD1-CG2 3.88Å; F49-T81 HydrophobicContact CD2-CG2 3.13Å; F49-T81 HydrophobicContact CE1-CG2 4.37Å; F49-T81 HydrophobicContact CE2-CG2 3.67Å; F49-T81 HydrophobicContact CG-CG2 3.23Å; F49-T81 HydrophobicContact CZ-CG2 4.26Å; T81-D83 VanDerWaalsContact C-N 3.32Å; T81-D83 PolarHBondContact O-N 2.85Å; T81-Y84 WeakPolarHBondContact O-CB 3.4Å; T81-Y84 PolarHBondContact O-N 3.49Å; T81-Y84 VanDerWaalsContact O-N 3.11Å; T81-I85 HydrophobicContact CG2-CD1 4.18Å; T81-I85 WeakPolarHBondContact O-CG1 3.27Å; T81-I85 PolarHBondContact O-N 3.39Å
82	E	89	Confident	88.9	Confident	108 Å²	108	66.8 Å²	66.8	51%	0.505	34%	0.337	S	S	.	.	H	α-helix	trans	-63.8	-38.6	176.1	-60.2	105.8	-179.2	0	0	111.8	S80 Y84 I85 L86	S80-E82 VanDerWaalsContact C-N 3.3Å; S80-E82 WeakPolarHBondContact CB-OE2 3.28Å; S80-E82 PolarHBondContact OG-N 2.81Å; S80-E82 VanDerWaalsContact OG-N 3.11Å; S80-E82 PolarHBondContact OG-OE2 2.95Å; E82-Y84 PolarHBondContact O-N 2.98Å; E82-I85 PolarHBondContact O-N 3.49Å; E82-I85 VanDerWaalsContact O-N 3.16Å; E82-L86 WeakPolarHBondContact O-CB 3.28Å; E82-L86 VanDerWaalsContact O-CG 3.31Å; E82-L86 WeakPolarHBondContact O-CG 3.13Å; E82-L86 PolarHBondContact O-N 2.9Å
83	D	87.8	Confident	88.8	Confident	55 Å²	55	69.3 Å²	69.3	29%	0.294	37%	0.368	S	S	.	.	H	α-helix	trans	-56.4	-39.1	173.7	-79.4	-2	0	0	0	111.2	L78 K79 S80 T81 K87	L78-D83 HydrophobicContact CD2-CB 4.47Å; K79-D83 WeakPolarHBondContact CB-OD2 3.43Å; K79-D83 WeakPolarHBondContact CG-OD2 3.45Å; K79-D83 PolarHBondContact N-OD2 3.5Å; S80-D83 PolarHBondContact O-N 2.97Å; S80-D83 PolarHBondContact OG-N 2.82Å; T81-D83 VanDerWaalsContact C-N 3.32Å; T81-D83 PolarHBondContact O-N 2.85Å; D83-K87 WeakPolarHBondContact O-CB 3.33Å; D83-K87 PolarHBondContact O-N 3.32Å
84	Y	88.6	Confident	88.6	Confident	3 Å²	3	70.1 Å²	70.1	1%	0.012	38%	0.383	C	S	.	.	H	α-helix	trans	-67.6	-47.7	176.8	-167.8	-171.4	0	0	0	111.6	F49 V51 F72 L78 T81 E82 L86 K87 I88 L110 L117 V119	F49-Y84 HydrophobicContact CD1-CD1 4.17Å; F49-Y84 HydrophobicContact CD1-CE1 4.5Å; F49-Y84 AromaticContact CE1-CD1 3.29Å; F49-Y84 HydrophobicContact CE1-CD1 3.29Å; F49-Y84 AromaticContact CE1-CE1 3.52Å; F49-Y84 HydrophobicContact CE1-CE1 3.52Å; F49-Y84 HydrophobicContact CE1-CG 4.23Å; F49-Y84 AromaticContact CZ-CD1 3.88Å; F49-Y84 HydrophobicContact CZ-CD1 3.88Å; F49-Y84 HydrophobicContact CZ-CE1 4.22Å; F49-Y84 HydrophobicContact CZ-CG 4.43Å; V51-Y84 HydrophobicContact CG2-CE1 3.77Å; V51-Y84 WeakPolarHBondContact CG2-OH 3.49Å; F72-Y84 HydrophobicContact CD1-CE1 4.45Å; F72-Y84 AromaticContact CE1-CD1 3.98Å; F72-Y84 HydrophobicContact CE1-CD1 3.98Å; F72-Y84 AromaticContact CE1-CE1 3.59Å; F72-Y84 HydrophobicContact CE1-CE1 3.59Å; F72-Y84 HydrophobicContact CE1-CE2 4.5Å; F72-Y84 AromaticContact CE1-CZ 3.93Å; F72-Y84 HydrophobicContact CZ-CE1 4.1Å; L78-Y84 HydrophobicContact CD1-CD1 4.47Å; L78-Y84 HydrophobicContact CD1-CD2 4.43Å; L78-Y84 HydrophobicContact CD1-CG 4.07Å; T81-Y84 WeakPolarHBondContact O-CB 3.4Å; T81-Y84 PolarHBondContact O-N 3.49Å; T81-Y84 VanDerWaalsContact O-N 3.11Å; E82-Y84 PolarHBondContact O-N 2.98Å; Y84-L86 VanDerWaalsContact C-N 3.29Å; Y84-L86 PolarHBondContact O-N 3.44Å; Y84-K87 WeakPolarHBondContact O-CB 3.19Å; Y84-K87 PolarHBondContact O-N 3.47Å; Y84-K87 VanDerWaalsContact O-N 3.08Å; Y84-I88 HydrophobicContact CD2-CD1 3.94Å; Y84-I88 HydrophobicContact CD2-CG1 3.93Å; Y84-I88 HydrophobicContact CE2-CD1 3.57Å; Y84-I88 HydrophobicContact CE2-CG1 3.59Å; Y84-I88 PolarHBondContact O-N 2.85Å; Y84-L110 HydrophobicContact CE2-CD1 3.64Å; Y84-L117 HydrophobicContact CD2-CD2 3.86Å; Y84-L117 HydrophobicContact CE2-CD2 3.57Å; Y84-V119 WeakPolarHBondContact OH-CG2 3.42Å
85	I	89.9	Confident	88.3	Confident	8 Å²	8	65.7 Å²	65.7	4%	0.041	38%	0.379	C	S	.	.	H	α-helix	trans	-56.7	-44.9	176.9	-65.8	164.5	0	0	0	110.6	Q23 T42 F49 T81 E82 K87 I88 R89	Q23-I85 HydrophobicContact CG-CD1 4.46Å; Q23-I85 WeakPolarHBondContact O-CD1 3.42Å; T42-I85 HydrophobicContact CG2-CG1 4.32Å; F49-I85 HydrophobicContact CD2-CD1 4.5Å; F49-I85 HydrophobicContact CE2-CD1 3.96Å; F49-I85 HydrophobicContact CE2-CG1 3.63Å; F49-I85 HydrophobicContact CZ-CG1 4.12Å; T81-I85 HydrophobicContact CG2-CD1 4.18Å; T81-I85 WeakPolarHBondContact O-CG1 3.27Å; T81-I85 PolarHBondContact O-N 3.39Å; E82-I85 PolarHBondContact O-N 3.49Å; E82-I85 VanDerWaalsContact O-N 3.16Å; I85-K87 VanDerWaalsContact C-N 3.33Å; I85-K87 PolarHBondContact O-N 3.48Å; I85-I88 PolarHBondContact O-N 3.16Å; I85-R89 WeakPolarHBondContact O-CG 3.18Å; I85-R89 PolarHBondContact O-N 2.86Å
86	L	88.2	Confident	88.1	Confident	102 Å²	102	60.9 Å²	60.9	53%	0.534	37%	0.365	S	S	.	.	H	α-helix	trans	-62.3	-40.1	177.3	-71.2	174.2	0	0	0	111.9	E82 Y84 R89 S90	E82-L86 WeakPolarHBondContact O-CB 3.28Å; E82-L86 VanDerWaalsContact O-CG 3.31Å; E82-L86 WeakPolarHBondContact O-CG 3.13Å; E82-L86 PolarHBondContact O-N 2.9Å; Y84-L86 VanDerWaalsContact C-N 3.29Å; Y84-L86 PolarHBondContact O-N 3.44Å; L86-R89 PolarHBondContact O-N 3.43Å; L86-S90 VanDerWaalsContact O-CB 3.3Å; L86-S90 WeakPolarHBondContact O-CB 3.4Å; L86-S90 PolarHBondContact O-N 2.95Å
87	K	88.6	Confident	88.3	Confident	71 Å²	71	60.1 Å²	60.1	31%	0.309	36%	0.363	S	S	.	.	H	α-helix	trans	-64.5	-43	176.6	-169.2	165.2	176.7	178.7	0	111.9	L78 D83 Y84 I85 S90 A91 L117	L78-K87 HydrophobicContact CD2-CD 4.35Å; D83-K87 WeakPolarHBondContact O-CB 3.33Å; D83-K87 PolarHBondContact O-N 3.32Å; Y84-K87 WeakPolarHBondContact O-CB 3.19Å; Y84-K87 PolarHBondContact O-N 3.47Å; Y84-K87 VanDerWaalsContact O-N 3.08Å; I85-K87 VanDerWaalsContact C-N 3.33Å; I85-K87 PolarHBondContact O-N 3.48Å; K87-S90 PolarHBondContact O-N 3.03Å; K87-A91 VanDerWaalsContact O-CB 3.28Å; K87-A91 WeakPolarHBondContact O-CB 3.48Å; K87-A91 PolarHBondContact O-N 3.32Å; K87-L117 HydrophobicContact CD-CD2 3.7Å; K87-L117 HydrophobicContact CG-CD2 4.31Å
88	I	89.6	Confident	88.5	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-59.9	-50.2	173.6	-66.3	169.2	0	0	0	110.1	T42 V51 Y84 I85 S90 A91 C92 L110	T42-I88 HydrophobicContact CG2-CD1 3.87Å; V51-I88 HydrophobicContact CG1-CD1 4.49Å; V51-I88 HydrophobicContact CG2-CD1 3.89Å; Y84-I88 HydrophobicContact CD2-CD1 3.94Å; Y84-I88 HydrophobicContact CD2-CG1 3.93Å; Y84-I88 HydrophobicContact CE2-CD1 3.57Å; Y84-I88 HydrophobicContact CE2-CG1 3.59Å; Y84-I88 PolarHBondContact O-N 2.85Å; I85-I88 PolarHBondContact O-N 3.16Å; I88-S90 PolarHBondContact O-N 3.37Å; I88-A91 PolarHBondContact O-N 3.4Å; I88-C92 VanDerWaalsContact O-CB 3.32Å; I88-C92 WeakPolarHBondContact O-CB 3.48Å; I88-C92 PolarHBondContact O-N 2.86Å; I88-L110 HydrophobicContact CG1-CD1 3.86Å; I88-L110 HydrophobicContact CG1-CD2 4.5Å
89	R	89.3	Confident	88.9	Confident	143 Å²	143	56.5 Å²	56.5	54%	0.54	33%	0.334	S	S	.	.	H	α-helix	trans	-59.3	-45.1	-179.9	-74	-179.6	66.7	172.5	1.1	112.4	S25 I85 L86 C92 G93	S25-R89 WeakPolarHBondContact OG-CG 3.46Å; I85-R89 WeakPolarHBondContact O-CG 3.18Å; I85-R89 PolarHBondContact O-N 2.86Å; L86-R89 PolarHBondContact O-N 3.43Å; R89-C92 PolarHBondContact O-N 2.67Å; R89-G93 PolarHBondContact O-N 3.03Å
90	S	88.8	Confident	89.2	Confident	83 Å²	83	48.6 Å²	48.6	58%	0.58	30%	0.302	S	S	*	.	H	α-helix	trans	-64	-45.9	178.8	-177.8	0	0	0	0	111.8	L86 K87 I88 C92 G93 S94	L86-S90 VanDerWaalsContact O-CB 3.3Å; L86-S90 WeakPolarHBondContact O-CB 3.4Å; L86-S90 PolarHBondContact O-N 2.95Å; K87-S90 PolarHBondContact O-N 3.03Å; I88-S90 PolarHBondContact O-N 3.37Å; S90-C92 PolarHBondContact O-N 2.92Å; S90-G93 PolarHBondContact O-N 2.84Å; S90-S94 WeakPolarHBondContact O-CB 3.32Å; S90-S94 PolarHBondContact O-N 2.8Å; S90-S94 PolarHBondContact O-OG 3.16Å
91	A	88.7	Confident	89.5	Confident	10 Å²	10	48.2 Å²	48.2	8%	0.083	30%	0.299	C	S	.	.	H	α-helix	trans	-64.6	-42.6	178.6	0	0	0	0	0	110.9	K87 I88 S94 G95 S96 V97 L110	K87-A91 VanDerWaalsContact O-CB 3.28Å; K87-A91 WeakPolarHBondContact O-CB 3.48Å; K87-A91 PolarHBondContact O-N 3.32Å; I88-A91 PolarHBondContact O-N 3.4Å; A91-S94 WeakPolarHBondContact CA-OG 3.47Å; A91-S94 PolarHBondContact O-N 3.05Å; A91-S94 PolarHBondContact O-OG 3.46Å; A91-S94 VanDerWaalsContact O-OG 3.09Å; A91-G95 PolarHBondContact O-N 3.33Å; A91-G95 VanDerWaalsContact O-N 3.1Å; A91-S96 PolarHBondContact O-N 2.91Å; A91-V97 HydrophobicContact CB-CG2 3.24Å; A91-L110 HydrophobicContact CB-CD2 4.28Å
92	C	88.8	Confident	89.7	Confident	28 Å²	28	51.4 Å²	51.4	19%	0.189	31%	0.311	C	S	.	.	H	α-helix	trans	-64	-41.7	176.3	-80.2	0	0	0	0	112.3	C27 I88 R89 S90 S94 G95	C27-C92 HydrophobicContact CB-CB 3.3Å; C27-C92 WeakPolarHBondContact CB-SG 3.2Å; C27-C92 WeakPolarHBondContact SG-CB 3.3Å; C27-C92 CovalentContact SG-SG 2.04Å; C27-C92 PolarHBondContact SG-SG 3.1Å; I88-C92 VanDerWaalsContact O-CB 3.32Å; I88-C92 WeakPolarHBondContact O-CB 3.48Å; I88-C92 PolarHBondContact O-N 2.86Å; R89-C92 PolarHBondContact O-N 2.67Å; S90-C92 PolarHBondContact O-N 2.92Å; C92-S94 VanDerWaalsContact C-N 3.3Å; C92-S94 PolarHBondContact O-N 3.33Å; C92-G95 PolarHBondContact O-N 2.82Å
93	G	87.1	Confident	89.5	Confident	73 Å²	73	52.9 Å²	52.9	75%	0.753	32%	0.322	S	S	*	.	H	α-helix	trans	-67.8	-26.9	177.2	0	0	0	0	0	114.3	R89 S90	R89-G93 PolarHBondContact O-N 3.03Å; S90-G93 PolarHBondContact O-N 2.84Å
94	S	87.1	Confident	89.7	Confident	75 Å²	75	54.3 Å²	54.3	52%	0.524	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-1.9	178.1	56.3	0	0	0	0	114	S90 A91 C92 S96	S90-S94 WeakPolarHBondContact O-CB 3.32Å; S90-S94 PolarHBondContact O-N 2.8Å; S90-S94 PolarHBondContact O-OG 3.16Å; A91-S94 WeakPolarHBondContact CA-OG 3.47Å; A91-S94 PolarHBondContact O-N 3.05Å; A91-S94 PolarHBondContact O-OG 3.46Å; A91-S94 VanDerWaalsContact O-OG 3.09Å; C92-S94 VanDerWaalsContact C-N 3.3Å; C92-S94 PolarHBondContact O-N 3.33Å; S94-S96 PolarHBondContact O-N 2.8Å; S94-S96 PolarHBondContact OG-OG 2.95Å
95	G	84	Confident	90.1	Very high	64 Å²	64	56.8 Å²	56.8	66%	0.66	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	16.9	-176.1	0	0	0	0	0	114.1	A91 C92 V97	A91-G95 PolarHBondContact O-N 3.33Å; A91-G95 VanDerWaalsContact O-N 3.1Å; C92-G95 PolarHBondContact O-N 2.82Å; G95-V97 PolarHBondContact O-N 3.23Å
96	S	86.6	Confident	90.4	Very high	55 Å²	55	56.4 Å²	56.4	39%	0.385	34%	0.344	S	S	.	.			trans	-92.3	27.2	-178.9	-59.1	0	0	0	0	112.5	A91 S94 A111	A91-S96 PolarHBondContact O-N 2.91Å; S94-S96 PolarHBondContact O-N 2.8Å; S94-S96 PolarHBondContact OG-OG 2.95Å; S96-A111 PolarHBondContact O-N 2.85Å
97	V	90.7	Very high	90.7	Very high	17 Å²	17	53 Å²	53	10%	0.103	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	134	178.2	-179	0	0	0	0	109.7	V29 A91 G95 L108 Y109 L110	V29-V97 HydrophobicContact CB-CG1 3.99Å; V29-V97 HydrophobicContact CG1-CB 4.11Å; V29-V97 HydrophobicContact CG1-CG1 3.32Å; A91-V97 HydrophobicContact CB-CG2 3.24Å; G95-V97 PolarHBondContact O-N 3.23Å; V97-L108 HydrophobicContact CG1-CD1 3.53Å; V97-Y109 WeakPolarHBondContact CA-O 3.47Å; V97-L110 HydrophobicContact CB-CD2 4.3Å; V97-L110 HydrophobicContact CG1-CD2 3.85Å; V97-L110 HydrophobicContact CG2-CD2 3.5Å
98	S	92.4	Very high	91	Very high	31 Å²	31	49.7 Å²	49.7	22%	0.217	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	157.8	174.5	52.2	0	0	0	0	109.6	K32 Y109	K32-S98 WeakPolarHBondContact CE-OG 3.28Å; S98-Y109 PolarHBondContact N-O 3.45Å; S98-Y109 VanDerWaalsContact N-O 3.16Å; S98-Y109 PolarHBondContact O-N 3.11Å
99	V	95.2	Very high	91.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	152.4	176.2	61.3	0	0	0	0	109.8	V29 V30 D31 K32 L38 L53 V101 A106 V107	V29-V99 HydrophobicContact CG2-CB 4.42Å; V29-V99 HydrophobicContact CG2-CG1 4.01Å; V30-V99 PolarHBondContact O-N 3.08Å; D31-V99 CarbonylContact C-O 3.54Å; D31-V99 WeakPolarHBondContact CA-O 3.14Å; D31-V99 HydrophobicContact CB-CG1 4.08Å; K32-V99 WeakPolarHBondContact CG-O 3.36Å; K32-V99 PolarHBondContact N-O 3.13Å; L38-V99 HydrophobicContact CD1-CG1 3.88Å; L53-V99 HydrophobicContact CD1-CG2 3.6Å; V99-V101 HydrophobicContact CG1-CG2 4.24Å; V99-V101 HydrophobicContact CG2-CG2 3.84Å; V99-A106 HydrophobicContact CG2-CB 4.27Å; V99-V107 CarbonylContact C-O 3.58Å; V99-V107 VanDerWaalsContact CA-O 3.28Å; V99-V107 WeakPolarHBondContact CA-O 3.48Å; V99-V107 WeakPolarHBondContact CG2-O 3.34Å
100	S	95.1	Very high	91.1	Very high	20 Å²	20	46.1 Å²	46.1	14%	0.14	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	114.5	162.6	177.3	0	0	0	0	107.5	A106 V107	S100-A106 WeakPolarHBondContact O-CA 3.38Å; S100-V107 PolarHBondContact N-O 3.27Å; S100-V107 PolarHBondContact O-N 3.34Å
101	V	95.3	Very high	90.5	Very high	24 Å²	24	44.2 Å²	44.2	15%	0.145	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	137	179.8	-175.6	0	0	0	0	110	D31 K33 L38 W60 V99 A106	D31-V101 WeakPolarHBondContact OD2-CB 3.31Å; K33-V101 WeakPolarHBondContact CE-O 3.11Å; K33-V101 PolarHBondContact NZ-O 3.01Å; L38-V101 HydrophobicContact CD1-CG2 4.44Å; L38-V101 HydrophobicContact CD2-CG2 3.76Å; W60-V101 HydrophobicContact CH2-CG1 3.67Å; W60-V101 HydrophobicContact CZ2-CG1 3.35Å; W60-V101 HydrophobicContact CZ3-CG1 4.49Å; V99-V101 HydrophobicContact CG1-CG2 4.24Å; V99-V101 HydrophobicContact CG2-CG2 3.84Å; V101-A106 HydrophobicContact CG2-CB 4.43Å
102	E	92.2	Very high	89	Confident	109 Å²	109	48.4 Å²	48.4	51%	0.509	32%	0.324	S	S	.	.			trans	-124.1	177.3	171.3	-64.3	-169.9	172.1	0	0	109.7	K33 T104 D105	K33-E102 IonicContact NZ-OE1 3.86Å; E102-T104 VanDerWaalsContact C-N 3.32Å; E102-T104 PolarHBondContact O-N 3.39Å; E102-D105 CarbonylContact C-O 3.59Å; E102-D105 WeakPolarHBondContact CA-O 3.44Å; E102-D105 WeakPolarHBondContact CB-O 3.38Å; E102-D105 PolarHBondContact N-O 2.93Å
103	D	85.9	Confident	87.3	Confident	138 Å²	138	51 Å²	51	74%	0.738	34%	0.343	S	S	*	.	S	Bend	trans	-62.9	-39.4	-172.9	-67.4	-26.2	0	0	0	112.7	R123	D103-R123 VanDerWaalsContact O-CD 3.25Å; D103-R123 WeakPolarHBondContact O-CD 2.88Å; D103-R123 PolarHBondContact O-NH1 2.99Å
104	T	92.8	Very high	85.4	Confident	85 Å²	85	54 Å²	54	52%	0.521	35%	0.349	S	S	.	.	S	Bend	trans	-109.1	-23.1	-176.8	50.4	0	0	0	0	113.5	E102 R123	E102-T104 VanDerWaalsContact C-N 3.32Å; E102-T104 PolarHBondContact O-N 3.39Å; T104-R123 WeakPolarHBondContact O-CB 3.36Å; T104-R123 PolarHBondContact O-N 2.97Å
105	D	95.1	Very high	84.1	Confident	55 Å²	55	53.7 Å²	53.7	29%	0.294	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	158.4	-167.7	-58.1	-65	0	0	0	111	E102 L121	E102-D105 CarbonylContact C-O 3.59Å; E102-D105 WeakPolarHBondContact CA-O 3.44Å; E102-D105 WeakPolarHBondContact CB-O 3.38Å; E102-D105 PolarHBondContact N-O 2.93Å; D105-L121 CarbonylContact C-O 3.56Å; D105-L121 WeakPolarHBondContact CA-O 3.41Å
106	A	96.6	Very high	83.6	Confident	0 Å²	0	53 Å²	53	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	144.1	171.4	0	0	0	0	0	109.7	L53 W60 V99 S100 V101 T120 L121	L53-A106 HydrophobicContact CD1-CB 3.92Å; W60-A106 HydrophobicContact CB-CB 4.19Å; W60-A106 HydrophobicContact CD2-CB 4.18Å; W60-A106 HydrophobicContact CG-CB 3.8Å; V99-A106 HydrophobicContact CG2-CB 4.27Å; S100-A106 WeakPolarHBondContact O-CA 3.38Å; V101-A106 HydrophobicContact CG2-CB 4.43Å; A106-T120 CarbonylContact O-C 3.54Å; A106-T120 WeakPolarHBondContact O-CA 3.15Å; A106-L121 PolarHBondContact N-O 3.16Å; A106-L121 PolarHBondContact O-N 3.02Å
107	V	95.6	Very high	83.6	Confident	32 Å²	32	50.3 Å²	50.3	19%	0.194	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	116.5	175.2	-172.7	0	0	0	0	109.8	V99 S100 Y109 V119	V99-V107 CarbonylContact C-O 3.58Å; V99-V107 VanDerWaalsContact CA-O 3.28Å; V99-V107 WeakPolarHBondContact CA-O 3.48Å; V99-V107 WeakPolarHBondContact CG2-O 3.34Å; S100-V107 PolarHBondContact N-O 3.27Å; S100-V107 PolarHBondContact O-N 3.34Å; V107-Y109 HydrophobicContact CB-CE2 3.88Å; V107-Y109 HydrophobicContact CG1-CD1 4.32Å; V107-Y109 HydrophobicContact CG1-CD2 4.36Å; V107-Y109 HydrophobicContact CG1-CE1 3.71Å; V107-Y109 HydrophobicContact CG1-CE2 3.78Å; V107-Y109 VanDerWaalsContact CG1-CZ 3.4Å; V107-Y109 WeakPolarHBondContact O-CD2 3.34Å; V107-Y109 WeakPolarHBondContact O-CE2 3.39Å; V107-V119 CarbonylContact C-O 3.59Å; V107-V119 WeakPolarHBondContact CA-O 3.31Å
108	L	94.6	Very high	83.6	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	123.6	173	-179.2	64.4	0	0	0	109.5	V51 L53 V97 L110 S118 V119 L121	V51-L108 HydrophobicContact CG1-CD2 3.9Å; L53-L108 HydrophobicContact CD1-CB 4.41Å; L53-L108 HydrophobicContact CD2-CD1 4.39Å; V97-L108 HydrophobicContact CG1-CD1 3.53Å; L108-L110 HydrophobicContact CD1-CD2 4.33Å; L108-L110 HydrophobicContact CD2-CD1 4.42Å; L108-L110 HydrophobicContact CD2-CD2 4.14Å; L108-L110 HydrophobicContact CD2-CG 4.37Å; L108-L110 HydrophobicContact CG-CD2 4.07Å; L108-L110 HydrophobicContact CG-CG 4.22Å; L108-S118 VanDerWaalsContact O-CA 3.3Å; L108-S118 WeakPolarHBondContact O-CA 3.47Å; L108-V119 HydrophobicContact CB-CB 4.47Å; L108-V119 PolarHBondContact N-O 2.89Å; L108-V119 PolarHBondContact O-N 3.39Å; L108-L121 HydrophobicContact CB-CD1 3.88Å
109	Y	92.8	Very high	83.6	Confident	68 Å²	68	50.5 Å²	50.5	27%	0.267	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123.5	176.2	-56.9	-86.8	0	0	0	109.9	K32 V97 S98 V107	K32-Y109 HydrophobicContact CD-CD2 4.49Å; K32-Y109 HydrophobicContact CD-CE2 4.44Å; V97-Y109 WeakPolarHBondContact CA-O 3.47Å; S98-Y109 PolarHBondContact N-O 3.45Å; S98-Y109 VanDerWaalsContact N-O 3.16Å; S98-Y109 PolarHBondContact O-N 3.11Å; V107-Y109 HydrophobicContact CB-CE2 3.88Å; V107-Y109 HydrophobicContact CG1-CD1 4.32Å; V107-Y109 HydrophobicContact CG1-CD2 4.36Å; V107-Y109 HydrophobicContact CG1-CE1 3.71Å; V107-Y109 HydrophobicContact CG1-CE2 3.78Å; V107-Y109 VanDerWaalsContact CG1-CZ 3.4Å; V107-Y109 WeakPolarHBondContact O-CD2 3.34Å; V107-Y109 WeakPolarHBondContact O-CE2 3.39Å
110	L	87.4	Confident	83.6	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	107.7	177.4	-55.3	172.1	0	0	0	107.4	Y84 I88 A91 V97 L108 L117	Y84-L110 HydrophobicContact CE2-CD1 3.64Å; I88-L110 HydrophobicContact CG1-CD1 3.86Å; I88-L110 HydrophobicContact CG1-CD2 4.5Å; A91-L110 HydrophobicContact CB-CD2 4.28Å; V97-L110 HydrophobicContact CB-CD2 4.3Å; V97-L110 HydrophobicContact CG1-CD2 3.85Å; V97-L110 HydrophobicContact CG2-CD2 3.5Å; L108-L110 HydrophobicContact CD1-CD2 4.33Å; L108-L110 HydrophobicContact CD2-CD1 4.42Å; L108-L110 HydrophobicContact CD2-CD2 4.14Å; L108-L110 HydrophobicContact CD2-CG 4.37Å; L108-L110 HydrophobicContact CG-CD2 4.07Å; L108-L110 HydrophobicContact CG-CG 4.22Å; L110-L117 HydrophobicContact CB-CB 4Å; L110-L117 HydrophobicContact CB-CD2 4.33Å; L110-L117 HydrophobicContact CB-CG 4.3Å; L110-L117 WeakPolarHBondContact CB-O 3.5Å; L110-L117 HydrophobicContact CD1-CB 4.49Å; L110-L117 HydrophobicContact CD1-CD2 3.5Å; L110-L117 VanDerWaalsContact CD1-CD2 3.5Å; L110-L117 HydrophobicContact CD1-CG 3.88Å; L110-L117 HydrophobicContact CG-CD2 4.5Å; L110-L117 PolarHBondContact N-O 3.41Å; L110-L117 PolarHBondContact O-N 3.31Å
111	A	75.9	Confident	83.7	Confident	43 Å²	43	53.7 Å²	53.7	36%	0.355	34%	0.341	S	S	.	.			trans	82.4	165.9	-168.5	0	0	0	0	0	115.4	S96 D116	S96-A111 PolarHBondContact O-N 2.85Å; A111-D116 VanDerWaalsContact C-OD2 3.3Å; A111-D116 WeakPolarHBondContact CA-OD1 3.4Å; A111-D116 WeakPolarHBondContact CB-OD1 3.24Å; A111-D116 VanDerWaalsContact O-OD2 3.1Å
112	A	58.8	Low	83.8	Confident	98 Å²	98	54.8 Å²	54.8	81%	0.81	35%	0.35	S	S	*	.	S	Bend	trans	-127.7	19.9	-171.1	0	0	0	0	0	115.3	D116	A112-D116 WeakPolarHBondContact CA-OD2 3.29Å; A112-D116 VanDerWaalsContact N-CG 3.33Å; A112-D116 PolarHBondContact N-OD1 3.11Å; A112-D116 PolarHBondContact N-OD2 2.89Å
113	S	53.4	Low	84.1	Confident	83 Å²	83	54.9 Å²	54.9	58%	0.58	35%	0.345	S	S	*	.	S	Bend	trans	-133.2	162.7	-175	-161.5	0	0	0	0	112.9	G115 D116	S113-G115 PolarHBondContact O-N 3.41Å; S113-G115 VanDerWaalsContact O-N 3.1Å; S113-D116 PolarHBondContact N-OD1 2.69Å; S113-D116 PolarHBondContact N-OD2 3.38Å; S113-D116 PolarHBondContact O-N 2.94Å; S113-D116 VanDerWaalsContact O-OD2 3.06Å
114	P	46.1	Very low	84.6	Confident	135 Å²	135	49.7 Å²	49.7	88%	0.877	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	121.4	-175.1	-22.1	33.1	0	0	0	112.7
115	G	60.5	Low	84.8	Confident	69 Å²	69	53.7 Å²	53.7	71%	0.711	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.3	2.9	-169	0	0	0	0	0	114.3	S113 L117	S113-G115 PolarHBondContact O-N 3.41Å; S113-G115 VanDerWaalsContact O-N 3.1Å; G115-L117 PolarHBondContact O-N 2.98Å
116	D	73.8	Confident	84.7	Confident	49 Å²	49	57.7 Å²	57.7	26%	0.262	35%	0.345	S	S	.	.			trans	-53.7	132.4	177	-71.2	-23	0	0	0	113.3	A111 A112 S113 S118	A111-D116 VanDerWaalsContact C-OD2 3.3Å; A111-D116 WeakPolarHBondContact CA-OD1 3.4Å; A111-D116 WeakPolarHBondContact CB-OD1 3.24Å; A111-D116 VanDerWaalsContact O-OD2 3.1Å; A112-D116 WeakPolarHBondContact CA-OD2 3.29Å; A112-D116 VanDerWaalsContact N-CG 3.33Å; A112-D116 PolarHBondContact N-OD1 3.11Å; A112-D116 PolarHBondContact N-OD2 2.89Å; S113-D116 PolarHBondContact N-OD1 2.69Å; S113-D116 PolarHBondContact N-OD2 3.38Å; S113-D116 PolarHBondContact O-N 2.94Å; S113-D116 VanDerWaalsContact O-OD2 3.06Å; D116-S118 PolarHBondContact O-N 2.81Å
117	L	86.1	Confident	84.7	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	108.4	177.6	174.3	68.1	0	0	0	107.8	F72 F76 Y84 K87 L110 G115	F72-L117 HydrophobicContact CE1-CD1 3.83Å; F72-L117 HydrophobicContact CE2-CD1 4.05Å; F72-L117 HydrophobicContact CZ-CD1 3.29Å; F72-L117 HydrophobicContact CZ-CG 4.2Å; F76-L117 HydrophobicContact CB-CD1 3.71Å; F76-L117 HydrophobicContact CD1-CB 4.25Å; F76-L117 HydrophobicContact CD1-CD1 3.4Å; F76-L117 HydrophobicContact CD1-CG 4.47Å; F76-L117 HydrophobicContact CD2-CD1 3.23Å; F76-L117 HydrophobicContact CE1-CB 4.34Å; F76-L117 HydrophobicContact CE1-CD1 3.67Å; F76-L117 HydrophobicContact CE2-CD1 3.53Å; F76-L117 HydrophobicContact CG-CD1 3.16Å; F76-L117 HydrophobicContact CZ-CD1 3.72Å; Y84-L117 HydrophobicContact CD2-CD2 3.86Å; Y84-L117 HydrophobicContact CE2-CD2 3.57Å; K87-L117 HydrophobicContact CD-CD2 3.7Å; K87-L117 HydrophobicContact CG-CD2 4.31Å; L110-L117 HydrophobicContact CB-CB 4Å; L110-L117 HydrophobicContact CB-CD2 4.33Å; L110-L117 HydrophobicContact CB-CG 4.3Å; L110-L117 WeakPolarHBondContact CB-O 3.5Å; L110-L117 HydrophobicContact CD1-CB 4.49Å; L110-L117 HydrophobicContact CD1-CD2 3.5Å; L110-L117 VanDerWaalsContact CD1-CD2 3.5Å; L110-L117 HydrophobicContact CD1-CG 3.88Å; L110-L117 HydrophobicContact CG-CD2 4.5Å; L110-L117 PolarHBondContact N-O 3.41Å; L110-L117 PolarHBondContact O-N 3.31Å; G115-L117 PolarHBondContact O-N 2.98Å
118	S	91	Very high	84.6	Confident	46 Å²	46	66.4 Å²	66.4	32%	0.322	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	139.6	173.6	50.9	0	0	0	0	110.5	L108 D116	L108-S118 VanDerWaalsContact O-CA 3.3Å; L108-S118 WeakPolarHBondContact O-CA 3.47Å; D116-S118 PolarHBondContact O-N 2.81Å
119	V	92.3	Very high	84.7	Confident	6 Å²	6	66.7 Å²	66.7	4%	0.036	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	129.3	-179.6	-174.2	0	0	0	0	108.4	T62 F64 F72 Y84 V107 L108 L121	T62-V119 HydrophobicContact CG2-CG1 3.4Å; F64-V119 HydrophobicContact CZ-CG1 4.36Å; F72-V119 HydrophobicContact CE2-CB 4.47Å; F72-V119 HydrophobicContact CE2-CG2 3.56Å; F72-V119 HydrophobicContact CZ-CG2 3.33Å; Y84-V119 WeakPolarHBondContact OH-CG2 3.42Å; V107-V119 CarbonylContact C-O 3.59Å; V107-V119 WeakPolarHBondContact CA-O 3.31Å; L108-V119 HydrophobicContact CB-CB 4.47Å; L108-V119 PolarHBondContact N-O 2.89Å; L108-V119 PolarHBondContact O-N 3.39Å; V119-L121 HydrophobicContact CB-CD1 4.48Å; V119-L121 HydrophobicContact CG1-CD1 4.29Å; V119-L121 WeakPolarHBondContact O-CD1 3.46Å
120	T	95.2	Very high	84.9	Confident	87 Å²	87	68.8 Å²	68.8	53%	0.534	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	137.4	171.9	-55.9	0	0	0	0	108.7	A106	A106-T120 CarbonylContact O-C 3.54Å; A106-T120 WeakPolarHBondContact O-CA 3.15Å
121	L	97.3	Very high	85.2	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	139.1	-179.6	-59.4	88.7	0	0	0	108.4	V51 L53 W60 S61 T62 D105 A106 L108 V119	V51-L121 VanDerWaalsContact O-CD2 3.28Å; V51-L121 WeakPolarHBondContact O-CD2 3.41Å; L53-L121 HydrophobicContact CB-CD2 4.37Å; L53-L121 HydrophobicContact CD1-CD1 3.81Å; L53-L121 HydrophobicContact CD1-CD2 3.95Å; L53-L121 HydrophobicContact CD1-CG 4.43Å; L53-L121 HydrophobicContact CG-CD2 3.94Å; W60-L121 HydrophobicContact CB-CB 3.78Å; W60-L121 HydrophobicContact CB-CD2 4.5Å; S61-L121 WeakPolarHBondContact O-CA 3.44Å; T62-L121 HydrophobicContact CG2-CD2 4.45Å; T62-L121 HydrophobicContact CG2-CG 4.05Å; D105-L121 CarbonylContact C-O 3.56Å; D105-L121 WeakPolarHBondContact CA-O 3.41Å; A106-L121 PolarHBondContact N-O 3.16Å; A106-L121 PolarHBondContact O-N 3.02Å; L108-L121 HydrophobicContact CB-CD1 3.88Å; V119-L121 HydrophobicContact CB-CD1 4.48Å; V119-L121 HydrophobicContact CG1-CD1 4.29Å; V119-L121 WeakPolarHBondContact O-CD1 3.46Å
122	S	97.3	Very high	86.1	Confident	47 Å²	47	72.6 Å²	72.6	33%	0.329	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	142.2	179.8	-53.6	0	0	0	0	109.6	W60 S61 L124	W60-S122 CarbonylContact C-O 3.49Å; W60-S122 VanDerWaalsContact CA-O 3.28Å; W60-S122 WeakPolarHBondContact CA-O 3.41Å; S61-S122 PolarHBondContact N-O 3.21Å; S61-S122 PolarHBondContact O-N 2.83Å; S122-L124 PolarHBondContact O-N 2.84Å
123	R	97.7	Very high	87.9	Confident	110 Å²	110	69.5 Å²	69.5	42%	0.415	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	131.3	176.6	-171.7	171.6	171.8	-168.8	-1.2	110.4	D58 W60 D103 T104	D58-R123 VanDerWaalsContact CG-NH2 3.3Å; D58-R123 IonicContact OD1-CZ 3.13Å; D58-R123 IonicContact OD1-NE 3Å; D58-R123 PolarHBondContact OD1-NE 2.78Å; D58-R123 IonicContact OD1-NH2 2.64Å; D58-R123 PolarHBondContact OD1-NH2 3.21Å; D58-R123 IonicContact OD2-CZ 3.78Å; D58-R123 IonicContact OD2-NH2 3.42Å; D58-R123 PolarHBondContact OD2-NH2 3.48Å; W60-R123 HydrophobicContact CG-CB 4.4Å; D103-R123 VanDerWaalsContact O-CD 3.25Å; D103-R123 WeakPolarHBondContact O-CD 2.88Å; D103-R123 PolarHBondContact O-NH1 2.99Å; T104-R123 WeakPolarHBondContact O-CB 3.36Å; T104-R123 PolarHBondContact O-N 2.97Å
124	L	96.8	Very high	90	Very high	30 Å²	30	72.2 Å²	72.2	16%	0.157	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-75.6	155.7	175.9	-59.8	-174.1	0	0	0	111	V59 S122 E128 A129 V132	V59-L124 HydrophobicContact CB-CD1 4.15Å; V59-L124 HydrophobicContact CB-CG 4.47Å; V59-L124 HydrophobicContact CG1-CD1 3.62Å; V59-L124 HydrophobicContact CG1-CG 4.23Å; V59-L124 PolarHBondContact O-N 3.29Å; S122-L124 PolarHBondContact O-N 2.84Å; L124-E128 HydrophobicContact CB-CG 4.49Å; L124-E128 HydrophobicContact CD1-CG 4.17Å; L124-A129 HydrophobicContact CB-CB 4.24Å; L124-V132 HydrophobicContact CD1-CG2 4.04Å
125	K	96.4	Very high	92.3	Very high	168 Å²	168	71 Å²	71	73%	0.73	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-67.9	151	172.8	-66.2	175.3	-176.4	169.3	0	109.8	Q127 E128 A129	K125-Q127 VanDerWaalsContact C-N 3.28Å; K125-Q127 PolarHBondContact O-N 2.83Å; K125-Q127 VanDerWaalsContact O-N 3.14Å; K125-E128 PolarHBondContact O-N 2.74Å; K125-A129 WeakPolarHBondContact O-CB 3.38Å; K125-A129 PolarHBondContact O-N 3.23Å
126	E	93.9	Very high	93.9	Very high	140 Å²	140	67.9 Å²	67.9	65%	0.654	33%	0.325	S	S	*	.	H	α-helix	trans	-53	-42.3	-174.3	-169.3	-172.1	160.8	0	0	113.7	K130	E126-K130 WeakPolarHBondContact O-CG 3.33Å; E126-K130 PolarHBondContact O-N 3.05Å; E126-K130 VanDerWaalsContact OE1-CE 3.28Å; E126-K130 WeakPolarHBondContact OE1-CE 3.22Å; E126-K130 IonicContact OE1-NZ 2.67Å; E126-K130 PolarHBondContact OE1-NZ 3.49Å
127	Q	95.3	Very high	94.9	Very high	121 Å²	121	70.2 Å²	70.2	57%	0.565	34%	0.337	S	S	*	.	H	α-helix	trans	-64.8	-45.1	179.5	-177	58.9	30.7	0	0	112.1	K125 K130 E131	K125-Q127 VanDerWaalsContact C-N 3.28Å; K125-Q127 PolarHBondContact O-N 2.83Å; K125-Q127 VanDerWaalsContact O-N 3.14Å; Q127-K130 PolarHBondContact O-N 2.95Å; Q127-E131 PolarHBondContact NE2-OE1 2.93Å; Q127-E131 PolarHBondContact O-N 2.94Å
128	E	94.4	Very high	95.3	Very high	93 Å²	93	76.4 Å²	76.4	44%	0.435	36%	0.364	S	S	.	.	H	α-helix	trans	-67.9	-42.7	178.7	-173.5	-178.1	-177.1	0	0	111	L124 K125 K130 E131 V132	L124-E128 HydrophobicContact CB-CG 4.49Å; L124-E128 HydrophobicContact CD1-CG 4.17Å; K125-E128 PolarHBondContact O-N 2.74Å; E128-K130 VanDerWaalsContact C-N 3.29Å; E128-K130 PolarHBondContact O-N 2.04Å; E128-E131 PolarHBondContact O-N 3.47Å; E128-E131 VanDerWaalsContact O-N 3.16Å; E128-V132 WeakPolarHBondContact O-CG2 3.38Å; E128-V132 PolarHBondContact O-N 2.94Å
129	A	95.8	Very high	95.4	Very high	7 Å²	7	78 Å²	78	6%	0.058	36%	0.363	C	S	.	.	H	α-helix	trans	-58.1	-40.9	176.7	0	0	0	0	0	112	V59 L124 K125 V132 L133	V59-A129 HydrophobicContact CB-CB 3.96Å; V59-A129 HydrophobicContact CG2-CB 3.91Å; L124-A129 HydrophobicContact CB-CB 4.24Å; K125-A129 WeakPolarHBondContact O-CB 3.38Å; K125-A129 PolarHBondContact O-N 3.23Å; A129-V132 PolarHBondContact O-N 2.87Å; A129-L133 VanDerWaalsContact O-CB 3.22Å; A129-L133 WeakPolarHBondContact O-CB 3.42Å; A129-L133 PolarHBondContact O-N 2.84Å
130	K	96.6	Very high	95.4	Very high	112 Å²	112	79.4 Å²	79.4	49%	0.487	37%	0.37	S	S	.	.	H	α-helix	trans	-62.7	-43.3	176.2	-77.1	172.9	-175.7	167.2	0	112.3	E126 Q127 E128 R134	E126-K130 WeakPolarHBondContact O-CG 3.33Å; E126-K130 PolarHBondContact O-N 3.05Å; E126-K130 VanDerWaalsContact OE1-CE 3.28Å; E126-K130 WeakPolarHBondContact OE1-CE 3.22Å; E126-K130 IonicContact OE1-NZ 2.67Å; E126-K130 PolarHBondContact OE1-NZ 3.49Å; Q127-K130 PolarHBondContact O-N 2.95Å; E128-K130 VanDerWaalsContact C-N 3.29Å; E128-K130 PolarHBondContact O-N 2.04Å; K130-R134 VanDerWaalsContact O-CB 3.3Å; K130-R134 WeakPolarHBondContact O-CB 3.04Å; K130-R134 PolarHBondContact O-N 2.86Å
131	E	95.4	Very high	95.3	Very high	92 Å²	92	77.5 Å²	77.5	43%	0.43	36%	0.363	S	S	.	.	H	α-helix	trans	-64.9	-48.1	178.7	-71.7	172.5	-163.9	0	0	110.8	Q127 E128 L133 R134 E135	Q127-E131 PolarHBondContact NE2-OE1 2.93Å; Q127-E131 PolarHBondContact O-N 2.94Å; E128-E131 PolarHBondContact O-N 3.47Å; E128-E131 VanDerWaalsContact O-N 3.16Å; E131-L133 PolarHBondContact O-N 3.41Å; E131-R134 PolarHBondContact O-N 3.45Å; E131-E135 WeakPolarHBondContact O-CG 3.28Å; E131-E135 PolarHBondContact O-N 3.33Å
132	V	94.8	Very high	94.9	Very high	32 Å²	32	81.7 Å²	81.7	19%	0.194	39%	0.386	C	S	.	.	H	α-helix	trans	-61.1	-45	177.4	173.1	0	0	0	0	111.7	Y41 V59 L124 E128 A129 R134 E135 L136	Y41-V132 HydrophobicContact CE2-CG1 4.5Å; Y41-V132 WeakPolarHBondContact OH-CG1 3.25Å; V59-V132 HydrophobicContact CG1-CG1 3.98Å; L124-V132 HydrophobicContact CD1-CG2 4.04Å; E128-V132 WeakPolarHBondContact O-CG2 3.38Å; E128-V132 PolarHBondContact O-N 2.94Å; A129-V132 PolarHBondContact O-N 2.87Å; V132-R134 PolarHBondContact O-N 2.88Å; V132-E135 PolarHBondContact O-N 2.95Å; V132-L136 WeakPolarHBondContact O-CB 3.47Å; V132-L136 PolarHBondContact O-N 3.37Å
133	L	96.5	Very high	94.4	Very high	32 Å²	32	80.7 Å²	80.7	17%	0.168	38%	0.379	C	S	.	.	H	α-helix	trans	-64.8	-41.3	180	-176	62.2	0	0	0	111.5	T54 A56 V59 A129 E131 L136 L137	T54-L133 HydrophobicContact CG2-CD1 4.43Å; A56-L133 WeakPolarHBondContact O-CD2 3.47Å; V59-L133 HydrophobicContact CG2-CB 4.43Å; A129-L133 VanDerWaalsContact O-CB 3.22Å; A129-L133 WeakPolarHBondContact O-CB 3.42Å; A129-L133 PolarHBondContact O-N 2.84Å; E131-L133 PolarHBondContact O-N 3.41Å; L133-L136 PolarHBondContact O-N 3.32Å; L133-L137 HydrophobicContact CG-CD1 4.34Å; L133-L137 WeakPolarHBondContact O-CB 3.4Å; L133-L137 VanDerWaalsContact O-CG 3.3Å; L133-L137 WeakPolarHBondContact O-CG 3.02Å; L133-L137 PolarHBondContact O-N 3.47Å
134	R	96.1	Very high	93.9	Very high	141 Å²	141	81 Å²	81	53%	0.532	39%	0.388	S	S	.	.	H	α-helix	trans	-59.8	-50.4	175.6	-178.7	-173.3	70	166.8	0.1	111.1	K130 E131 V132 L137 F138	K130-R134 VanDerWaalsContact O-CB 3.3Å; K130-R134 WeakPolarHBondContact O-CB 3.04Å; K130-R134 PolarHBondContact O-N 2.86Å; E131-R134 PolarHBondContact O-N 3.45Å; V132-R134 PolarHBondContact O-N 2.88Å; R134-L137 PolarHBondContact O-N 3.14Å; R134-F138 HydrophobicContact CG-CD2 3.92Å; R134-F138 HydrophobicContact CG-CE2 3.55Å; R134-F138 WeakPolarHBondContact O-CD2 3.32Å; R134-F138 PolarHBondContact O-N 3.11Å; R134-F138 VanDerWaalsContact O-N 3.16Å
135	E	94.4	Very high	93.4	Very high	109 Å²	109	83.1 Å²	83.1	51%	0.509	40%	0.402	S	S	.	.	H	α-helix	trans	-64.6	-41.2	179.3	-72.4	-177.6	-176.9	0	0	112.3	E131 V132 L137 F138 R139	E131-E135 WeakPolarHBondContact O-CG 3.28Å; E131-E135 PolarHBondContact O-N 3.33Å; V132-E135 PolarHBondContact O-N 2.95Å; E135-L137 VanDerWaalsContact C-N 3.32Å; E135-L137 PolarHBondContact O-N 3.29Å; E135-F138 PolarHBondContact O-N 2.69Å; E135-R139 VanDerWaalsContact O-CB 3.31Å; E135-R139 WeakPolarHBondContact O-CB 3.28Å; E135-R139 PolarHBondContact O-N 2.82Å
136	L	94.7	Very high	92.7	Very high	3 Å²	3	79.7 Å²	79.7	2%	0.016	39%	0.388	C	S	.	.	H	α-helix	trans	-59	-44.3	176.3	179.1	62	0	0	0	111.2	Y26 Y41 T54 V132 L133 R139 M140	Y26-L136 HydrophobicContact CD1-CD1 4.01Å; Y26-L136 HydrophobicContact CE1-CD1 3.58Å; Y41-L136 HydrophobicContact CD1-CD1 4.31Å; Y41-L136 HydrophobicContact CD1-CD2 3.71Å; Y41-L136 HydrophobicContact CD2-CD1 4.05Å; Y41-L136 HydrophobicContact CE1-CD2 3.75Å; Y41-L136 HydrophobicContact CG-CD1 3.9Å; Y41-L136 HydrophobicContact CG-CD2 4.16Å; T54-L136 HydrophobicContact CG2-CD2 3.81Å; V132-L136 WeakPolarHBondContact O-CB 3.47Å; V132-L136 PolarHBondContact O-N 3.37Å; L133-L136 PolarHBondContact O-N 3.32Å; L136-R139 PolarHBondContact O-N 3Å; L136-M140 HydrophobicContact CD1-CG 4.21Å; L136-M140 HydrophobicContact CD1-SD 4.33Å; L136-M140 HydrophobicContact CG-CE 3.99Å; L136-M140 HydrophobicContact CG-SD 4.36Å; L136-M140 WeakPolarHBondContact O-CB 3.02Å; L136-M140 VanDerWaalsContact O-CG 3.29Å; L136-M140 WeakPolarHBondContact O-CG 3.4Å; L136-M140 PolarHBondContact O-N 3.06Å
137	L	95.5	Very high	91.9	Very high	98 Å²	98	78.2 Å²	78.2	51%	0.513	38%	0.384	S	S	.	.	H	α-helix	trans	-61.2	-47.8	177.2	-76.6	168.2	0	0	0	112.1	L133 R134 E135 M140 A141	L133-L137 HydrophobicContact CG-CD1 4.34Å; L133-L137 WeakPolarHBondContact O-CB 3.4Å; L133-L137 VanDerWaalsContact O-CG 3.3Å; L133-L137 WeakPolarHBondContact O-CG 3.02Å; L133-L137 PolarHBondContact O-N 3.47Å; R134-L137 PolarHBondContact O-N 3.14Å; E135-L137 VanDerWaalsContact C-N 3.32Å; E135-L137 PolarHBondContact O-N 3.29Å; L137-M140 HydrophobicContact CD2-CE 4.03Å; L137-M140 PolarHBondContact O-N 3.27Å; L137-A141 WeakPolarHBondContact O-CB 3.11Å; L137-A141 PolarHBondContact O-N 3.18Å
138	F	94.6	Very high	90.7	Very high	130 Å²	130	78.3 Å²	78.3	57%	0.57	39%	0.389	S	S	*	.	H	α-helix	trans	-62.7	-44.9	177.1	-73	-58.4	0	0	0	111.6	R134 E135 M140 A141 D142	R134-F138 HydrophobicContact CG-CD2 3.92Å; R134-F138 HydrophobicContact CG-CE2 3.55Å; R134-F138 WeakPolarHBondContact O-CD2 3.32Å; R134-F138 PolarHBondContact O-N 3.11Å; R134-F138 VanDerWaalsContact O-N 3.16Å; E135-F138 PolarHBondContact O-N 2.69Å; F138-M140 VanDerWaalsContact C-N 3.34Å; F138-M140 PolarHBondContact O-N 3Å; F138-A141 WeakPolarHBondContact O-CB 3.48Å; F138-A141 PolarHBondContact O-N 3.1Å; F138-A141 VanDerWaalsContact O-N 3.14Å; F138-D142 PolarHBondContact O-N 3.42Å
139	R	91.8	Very high	89.6	Confident	79 Å²	79	79.8 Å²	79.8	30%	0.298	40%	0.4	S	S	.	.	H	α-helix	trans	-63.3	-38.8	179	-165.8	170.8	64.3	-142.6	3.1	112.5	Y26 E135 L136 S143	Y26-R139 WeakPolarHBondContact OH-CD 3.39Å; Y26-R139 WeakPolarHBondContact OH-CG 3.16Å; Y26-R139 PolarHBondContact OH-NE 3.14Å; E135-R139 VanDerWaalsContact O-CB 3.31Å; E135-R139 WeakPolarHBondContact O-CB 3.28Å; E135-R139 PolarHBondContact O-N 2.82Å; L136-R139 PolarHBondContact O-N 3Å; R139-S143 WeakPolarHBondContact O-CB 3.3Å; R139-S143 PolarHBondContact O-N 3.16Å
140	M	92.6	Very high	88.2	Confident	37 Å²	37	84.7 Å²	84.7	18%	0.182	43%	0.429	C	S	.	.	H	α-helix	trans	-65.7	-44.2	173.3	-73.7	-171.3	-56.7	0	0	111.3	Y26 I39 L136 L137 F138 S143 L144	Y26-M140 HydrophobicContact CD1-CG 4.16Å; Y26-M140 HydrophobicContact CD1-SD 4.4Å; Y26-M140 HydrophobicContact CE1-CG 4.12Å; Y26-M140 HydrophobicContact CG-CG 4.42Å; I39-M140 HydrophobicContact CD1-CE 4.23Å; I39-M140 HydrophobicContact CD1-SD 4.38Å; L136-M140 HydrophobicContact CD1-CG 4.21Å; L136-M140 HydrophobicContact CD1-SD 4.33Å; L136-M140 HydrophobicContact CG-CE 3.99Å; L136-M140 HydrophobicContact CG-SD 4.36Å; L136-M140 WeakPolarHBondContact O-CB 3.02Å; L136-M140 VanDerWaalsContact O-CG 3.29Å; L136-M140 WeakPolarHBondContact O-CG 3.4Å; L136-M140 PolarHBondContact O-N 3.06Å; L137-M140 HydrophobicContact CD2-CE 4.03Å; L137-M140 PolarHBondContact O-N 3.27Å; F138-M140 VanDerWaalsContact C-N 3.34Å; F138-M140 PolarHBondContact O-N 3Å; M140-S143 PolarHBondContact O-N 3.36Å; M140-S143 PolarHBondContact O-OG 3.41Å; M140-L144 WeakPolarHBondContact O-CG 3.47Å; M140-L144 PolarHBondContact O-N 3.36Å; M140-L144 VanDerWaalsContact O-N 3.11Å
141	A	92.5	Very high	86.5	Confident	47 Å²	47	82 Å²	82	39%	0.388	43%	0.428	S	S	.	.	H	α-helix	trans	-60.1	-46.8	176.1	0	0	0	0	0	111.8	L137 F138 S143 L144 T145	L137-A141 WeakPolarHBondContact O-CB 3.11Å; L137-A141 PolarHBondContact O-N 3.18Å; F138-A141 WeakPolarHBondContact O-CB 3.48Å; F138-A141 PolarHBondContact O-N 3.1Å; F138-A141 VanDerWaalsContact O-N 3.14Å; A141-S143 VanDerWaalsContact C-N 3.34Å; A141-S143 PolarHBondContact O-N 2.82Å; A141-L144 PolarHBondContact O-N 3.02Å; A141-T145 WeakPolarHBondContact O-CG2 3.46Å; A141-T145 PolarHBondContact O-N 3.41Å
142	D	90	Very high	84.8	Confident	88 Å²	88	80 Å²	80	47%	0.471	43%	0.431	S	S	.	.	H	α-helix	trans	-59.8	-44.4	176.4	-69.9	-21.8	0	0	0	111	F138 L144 T145 H146	F138-D142 PolarHBondContact O-N 3.42Å; D142-L144 VanDerWaalsContact C-N 3.26Å; D142-L144 PolarHBondContact O-N 3.34Å; D142-T145 PolarHBondContact O-N 3.35Å; D142-T145 VanDerWaalsContact O-N 3.16Å; D142-T145 PolarHBondContact O-OG1 3.44Å; D142-H146 PolarHBondContact O-CD2 3.09Å; D142-H146 PolarHBondContact O-N 2.94Å
143	S	87.4	Confident	83	Confident	26 Å²	26	84.6 Å²	84.6	18%	0.182	46%	0.462	C	S	.	.	H	α-helix	trans	-59.5	-36.7	177.7	76.7	0	0	0	0	113.1	R139 M140 A141 L147	R139-S143 WeakPolarHBondContact O-CB 3.3Å; R139-S143 PolarHBondContact O-N 3.16Å; M140-S143 PolarHBondContact O-N 3.36Å; M140-S143 PolarHBondContact O-OG 3.41Å; A141-S143 VanDerWaalsContact C-N 3.34Å; A141-S143 PolarHBondContact O-N 2.82Å; S143-L147 WeakPolarHBondContact O-CB 3.37Å; S143-L147 PolarHBondContact O-N 3.34Å
144	L	87.3	Confident	81	Confident	117 Å²	117	86.1 Å²	86.1	61%	0.613	48%	0.48	S	S	*	.	H	α-helix	trans	-71.7	-37.9	177.5	-69.3	172	0	0	0	112	M140 A141 D142 L147 N148	M140-L144 WeakPolarHBondContact O-CG 3.47Å; M140-L144 PolarHBondContact O-N 3.36Å; M140-L144 VanDerWaalsContact O-N 3.11Å; A141-L144 PolarHBondContact O-N 3.02Å; D142-L144 VanDerWaalsContact C-N 3.26Å; D142-L144 PolarHBondContact O-N 3.34Å; L144-L147 PolarHBondContact O-N 2.91Å; L144-N148 WeakPolarHBondContact O-CB 3.46Å; L144-N148 PolarHBondContact O-N 3.03Å
145	T	86.1	Confident	78.7	Confident	73 Å²	73	84.7 Å²	84.7	45%	0.448	49%	0.491	S	S	.	.	H	α-helix	trans	-66.4	-42.9	176.1	64.8	0	0	0	0	111.4	A141 D142 L147 N148 N149	A141-T145 WeakPolarHBondContact O-CG2 3.46Å; A141-T145 PolarHBondContact O-N 3.41Å; D142-T145 PolarHBondContact O-N 3.35Å; D142-T145 VanDerWaalsContact O-N 3.16Å; D142-T145 PolarHBondContact O-OG1 3.44Å; T145-L147 PolarHBondContact O-N 3.28Å; T145-N148 PolarHBondContact O-N 2.74Å; T145-N149 WeakPolarHBondContact O-CB 3.5Å; T145-N149 PolarHBondContact O-N 2.86Å; T145-N149 PolarHBondContact O-ND2 3.25Å; T145-N149 VanDerWaalsContact O-ND2 3.15Å
146	H	80.6	Confident	76.6	Confident	96 Å²	96	88.4 Å²	88.4	44%	0.444	51%	0.506	S	S	.	.	H	α-helix	trans	-64.5	-39.1	175.4	-75.8	-65.7	0	0	0	112.7	L21 D142 N148 N149 T150	L21-H146 HydrophobicContact CD1-CB 3.85Å; D142-H146 PolarHBondContact O-CD2 3.09Å; D142-H146 PolarHBondContact O-N 2.94Å; H146-N148 VanDerWaalsContact C-N 3.33Å; H146-N148 PolarHBondContact O-N 2.98Å; H146-N149 PolarHBondContact O-N 3.36Å; H146-T150 WeakPolarHBondContact O-CB 3.49Å; H146-T150 PolarHBondContact O-N 3.49Å; H146-T150 PolarHBondContact O-OG1 3.42Å
147	L	77.4	Confident	74.2	Confident	109 Å²	109	92.3 Å²	92.3	57%	0.571	53%	0.533	S	S	*	.	H	α-helix	trans	-62.4	-42.2	175.2	-176.5	61.5	0	0	0	111.2	S143 L144 T145 N149 T150 A151	S143-L147 WeakPolarHBondContact O-CB 3.37Å; S143-L147 PolarHBondContact O-N 3.34Å; L144-L147 PolarHBondContact O-N 2.91Å; T145-L147 PolarHBondContact O-N 3.28Å; L147-N149 VanDerWaalsContact C-N 3.28Å; L147-N149 PolarHBondContact O-N 3.49Å; L147-T150 WeakPolarHBondContact CA-OG1 3.5Å; L147-T150 PolarHBondContact O-N 3.15Å; L147-T150 PolarHBondContact O-OG1 3.02Å; L147-A151 VanDerWaalsContact O-CB 3.25Å; L147-A151 WeakPolarHBondContact O-CB 3.25Å; L147-A151 PolarHBondContact O-N 3.25Å
148	N	71.1	Confident	71.8	Confident	124 Å²	124	94 Å²	94	66%	0.663	55%	0.55	S	S	*	.	H	α-helix	trans	-69.1	-26.5	177.9	-165.7	42.4	0	0	0	113.1	L144 T145 H146	L144-N148 WeakPolarHBondContact O-CB 3.46Å; L144-N148 PolarHBondContact O-N 3.03Å; T145-N148 PolarHBondContact O-N 2.74Å; H146-N148 VanDerWaalsContact C-N 3.33Å; H146-N148 PolarHBondContact O-N 2.98Å
149	N	70.5	Confident	69.3	Low	123 Å²	123	90.4 Å²	90.4	66%	0.658	55%	0.55	S	S	*	*	H	α-helix	trans	-84.1	-24	177.3	-66.9	-24.6	0	0	0	112.9	T145 H146 L147	T145-N149 WeakPolarHBondContact O-CB 3.5Å; T145-N149 PolarHBondContact O-N 2.86Å; T145-N149 PolarHBondContact O-ND2 3.25Å; T145-N149 VanDerWaalsContact O-ND2 3.15Å; H146-N149 PolarHBondContact O-N 3.36Å; L147-N149 VanDerWaalsContact C-N 3.28Å; L147-N149 PolarHBondContact O-N 3.49Å
150	T	66.4	Low	67.3	Low	111 Å²	111	96.7 Å²	96.7	68%	0.681	58%	0.58	S	S	*	*	H	α-helix	trans	-96.3	-29.6	179.6	46.7	0	0	0	0	113	H146 L147 G152	H146-T150 WeakPolarHBondContact O-CB 3.49Å; H146-T150 PolarHBondContact O-N 3.49Å; H146-T150 PolarHBondContact O-OG1 3.42Å; L147-T150 WeakPolarHBondContact CA-OG1 3.5Å; L147-T150 PolarHBondContact O-N 3.15Å; L147-T150 PolarHBondContact O-OG1 3.02Å; T150-G152 VanDerWaalsContact C-N 3.28Å; T150-G152 PolarHBondContact O-N 3Å
151	A	61.1	Low	65	Low	56 Å²	56	99 Å²	99	46%	0.463	60%	0.599	S	S	.	*	S	Bend	trans	-67.7	93.5	155.8	0	0	0	0	0	106.7	L147	L147-A151 VanDerWaalsContact O-CB 3.25Å; L147-A151 WeakPolarHBondContact O-CB 3.25Å; L147-A151 PolarHBondContact O-N 3.25Å
152	G	58.6	Low	63.1	Low	48 Å²	48	102.6 Å²	102.6	50%	0.495	62%	0.619	S	S	.	*			trans	-48.2	161.6	172.9	0	0	0	0	0	111.1	T150 A154	T150-G152 VanDerWaalsContact C-N 3.28Å; T150-G152 PolarHBondContact O-N 3Å; G152-A154 PolarHBondContact O-N 2.81Å
153	P	58.1	Low	60.9	Low	130 Å²	130	106.5 Å²	106.5	84%	0.844	63%	0.634	S	S	*	*			trans	-46.7	114.5	-173.7	20.6	-32.5	0	0	0	108.4	S155	P153-S155 PolarHBondContact O-N 2.85Å
154	A	54.8	Low	59.1	Low	64 Å²	64	115.4 Å²	115.4	53%	0.529	67%	0.669	S	S	.	*			trans	-51.6	112	177.1	0	0	0	0	0	105.2	G152 F156	G152-A154 PolarHBondContact O-N 2.81Å; A154-F156 HydrophobicContact CB-CD2 3.87Å; A154-F156 HydrophobicContact CB-CE2 3.52Å; A154-F156 HydrophobicContact CB-CZ 4Å; A154-F156 WeakPolarHBondContact O-CD2 3.34Å; A154-F156 PolarHBondContact O-N 2.83Å
155	S	48.3	Very low	57	Low	111 Å²	111	119.9 Å²	119.9	78%	0.776	68%	0.678	S	S	*	*			trans	-68.5	82.5	174.7	-178.4	0	0	0	0	105.4	P153 S157	P153-S155 PolarHBondContact O-N 2.85Å; S155-S157 PolarHBondContact O-N 2.69Å
156	F	48.3	Very low	55.4	Low	186 Å²	186	123.7 Å²	123.7	82%	0.816	70%	0.696	S	S	*	*			trans	-70	61.2	158.8	-64.6	-75.1	0	0	0	106.9	A154 P158	A154-F156 HydrophobicContact CB-CD2 3.87Å; A154-F156 HydrophobicContact CB-CE2 3.52Å; A154-F156 HydrophobicContact CB-CZ 4Å; A154-F156 WeakPolarHBondContact O-CD2 3.34Å; A154-F156 PolarHBondContact O-N 2.83Å; F156-P158 WeakPolarHBondContact O-CD 3.37Å
157	S	45.7	Very low	53.7	Low	85 Å²	85	124.6 Å²	124.6	59%	0.594	71%	0.708	S	S	*	*			trans	-64.2	125.5	152.2	-170.6	0	0	0	0	105.2	S155 G159	S155-S157 PolarHBondContact O-N 2.69Å; S157-G159 PolarHBondContact O-N 2.71Å
158	P	44.8	Very low	52.6	Low	133 Å²	133	126.5 Å²	126.5	86%	0.864	72%	0.719	S	S	*	*			trans	-70.5	54	170.3	-10.1	26.9	0	0	0	109.5	F156 K160	F156-P158 WeakPolarHBondContact O-CD 3.37Å; P158-K160 PolarHBondContact O-N 3.37Å
159	G	42	Very low	51.4	Low	56 Å²	56	129.9 Å²	129.9	58%	0.577	73%	0.728	S	S	*	*			trans	-81.1	105.7	177.5	0	0	0	0	0	108.2	S157 S161	S157-G159 PolarHBondContact O-N 2.71Å; G159-S161 PolarHBondContact O-N 3.18Å
160	K	50.6	Low	50.3	Low	211 Å²	211	131.8 Å²	131.8	92%	0.917	73%	0.733	S	S	*	*			trans	-50.9	105.3	168.8	-66.4	176	174.5	177.9	0	109.7	P158	P158-K160 PolarHBondContact O-N 3.37Å
161	S	44.4	Very low	49.2	Very low	85 Å²	85	131.7 Å²	131.7	59%	0.594	73%	0.734	S	S	*	*			trans	-87.7	133.8	164.8	164.8	0	0	0	0	109.2	G159 H163	G159-S161 PolarHBondContact O-N 3.18Å; S161-H163 PolarHBondContact O-N 2.95Å
162	P	51.6	Low	48.6	Very low	122 Å²	122	140 Å²	140	79%	0.792	75%	0.753	S	S	*	*			trans	-84.1	90.1	176.3	34	-28.1	0	0	0	108.3
163	H	44.6	Very low	47.9	Very low	170 Å²	170	148.7 Å²	148.7	79%	0.787	77%	0.771	S	S	*	*			trans	-104.2	130	163.3	-85.9	11	0	0	0	110.7	S161 R165	S161-H163 PolarHBondContact O-N 2.95Å; H163-R165 PolarHBondContact O-N 3.33Å
164	K	48	Very low	47.3	Very low	213 Å²	213	150.1 Å²	150.1	93%	0.926	77%	0.767	S	S	*	*			trans	-50.3	126.2	-175.1	-77.7	175	171.5	179	0	110.5
165	R	44.7	Very low	47	Very low	212 Å²	212	156.1 Å²	156.1	80%	0.8	78%	0.784	S	S	*	*			trans	-53.1	131	167.5	-77	177.5	-85.8	167.6	-3.7	110.3	H163	H163-R165 PolarHBondContact O-N 3.33Å
166	N	51.4	Low	46.7	Very low	153 Å²	153	158.9 Å²	158.9	82%	0.818	78%	0.784	S	S	*	*			trans	-139.5	83.9	142.8	-130.6	-12.7	0	0	0	107.4
167	T	45.3	Very low	46.4	Very low	114 Å²	114	155.4 Å²	155.4	70%	0.699	78%	0.783	S	S	*	*			trans	-149	109.1	168.8	46.9	0	0	0	0	106.8	F169	T167-F169 PolarHBondContact O-N 2.89Å
168	D	53.8	Low	46.4	Very low	149 Å²	149	154.9 Å²	154.9	80%	0.797	79%	0.791	S	S	*	*			trans	-68	68.1	177.4	-71.1	-58.2	0	0	0	113
169	F	46.9	Very low	46.2	Very low	195 Å²	195	156.9 Å²	156.9	86%	0.855	79%	0.788	S	S	*	*			trans	-138.4	82	162.5	-76.1	-81.2	0	0	0	109.1	T167 P171	T167-F169 PolarHBondContact O-N 2.89Å; F169-P171 WeakPolarHBondContact O-CD 3.35Å
170	E	46.8	Very low	46.6	Very low	163 Å²	163	161.4 Å²	161.4	76%	0.762	81%	0.805	S	S	*	*			trans	-88.9	114.5	172.4	-169.4	155	-150.6	0	0	109.7	R172	E170-R172 PolarHBondContact O-N 3.2Å
171	P	44.2	Very low	46.3	Very low	109 Å²	109	159.1 Å²	159.1	71%	0.708	80%	0.8	S	S	*	*			trans	-71.1	115	165.1	28.3	-28.4	0	0	0	107	F169 R173	F169-P171 WeakPolarHBondContact O-CD 3.35Å; P171-R173 PolarHBondContact O-N 3.34Å
172	R	48.2	Very low	46.4	Very low	231 Å²	231	159.3 Å²	159.3	87%	0.872	81%	0.807	S	S	*	*			trans	-42.2	107.9	175.6	175.4	169.2	-87.1	-170.3	-6.5	110.1	E170 H174	E170-R172 PolarHBondContact O-N 3.2Å; R172-H174 PolarHBondContact O-N 3.49Å
173	R	44	Very low	46.3	Very low	231 Å²	231	160.4 Å²	160.4	87%	0.872	81%	0.811	S	S	*	*			trans	-68.2	103.4	171	-75.6	-145.2	176.6	-153.9	1.1	108.5	P171 Q175	P171-R173 PolarHBondContact O-N 3.34Å; R173-Q175 PolarHBondContact O-N 3.27Å
174	H	44.6	Very low	47	Very low	160 Å²	160	161.5 Å²	161.5	74%	0.741	81%	0.813	S	S	*	*			trans	-69.2	112.5	163.1	-130.6	-160.1	0	0	0	107.5	R172 Q176	R172-H174 PolarHBondContact O-N 3.49Å; H174-Q176 PolarHBondContact O-N 3.03Å; H174-Q176 VanDerWaalsContact O-N 3.13Å
175	Q	48.8	Very low	47.6	Very low	190 Å²	190	160.8 Å²	160.8	89%	0.888	81%	0.81	S	S	*	*			trans	-61.3	108.9	163.7	-83.1	173.9	-19.1	0	0	107.6	R173	R173-Q175 PolarHBondContact O-N 3.27Å
176	Q	41.4	Very low	48.3	Very low	168 Å²	168	159.4 Å²	159.4	79%	0.785	81%	0.805	S	S	*	*			trans	-121.1	116.2	154.3	-87.7	179.3	-15	0	0	108.8	H174	H174-Q176 PolarHBondContact O-N 3.03Å; H174-Q176 VanDerWaalsContact O-N 3.13Å
177	S	42.2	Very low	48.8	Very low	114 Å²	114	158.3 Å²	158.3	80%	0.797	80%	0.799	S	S	*	*			trans	-37.2	144.1	169.4	49.1	0	0	0	0	113.5
178	G	47.1	Very low	49.3	Very low	73 Å²	73	159.4 Å²	159.4	75%	0.753	81%	0.807	S	S	*	*			trans	-55.8	152.5	-172.4	0	0	0	0	0	115.6
179	Q	40.1	Very low	49.7	Very low	175 Å²	175	155.9 Å²	155.9	82%	0.818	81%	0.806	S	S	*	*			trans	-156.2	119.3	151.2	-100.3	166.2	46.5	0	0	106.4	M181	Q179-M181 PolarHBondContact O-N 2.93Å
180	T	49.3	Very low	50.6	Low	151 Å²	151	151.5 Å²	151.5	93%	0.926	79%	0.792	S	S	*	*			trans	-64.1	95	169	38.6	0	0	0	0	108.5	A182	T180-A182 PolarHBondContact O-N 3.23Å
181	M	45.3	Very low	51.3	Low	163 Å²	163	147.1 Å²	147.1	80%	0.803	78%	0.779	S	S	*	*			trans	-84	114	173.8	-71.3	-132.9	72.6	0	0	109.8	Q179	Q179-M181 PolarHBondContact O-N 2.93Å
182	A	45.4	Very low	52.4	Low	90 Å²	90	149 Å²	149	74%	0.744	78%	0.782	S	S	*	*			trans	-46.2	139.5	170	0	0	0	0	0	111.7	T180 K184	T180-A182 PolarHBondContact O-N 3.23Å; A182-K184 VanDerWaalsContact C-N 3.33Å; A182-K184 PolarHBondContact O-N 3.17Å
183	V	50.7	Low	53.5	Low	145 Å²	145	145.8 Å²	145.8	88%	0.879	78%	0.781	S	S	*	*			trans	-64.7	90	177.3	-177.5	0	0	0	0	109.1	K185	V183-K185 PolarHBondContact O-N 3.3Å
184	K	57.7	Low	54.4	Low	193 Å²	193	139.5 Å²	139.5	84%	0.839	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-71.8	124	170.9	-148.8	169.1	-177.2	176.1	0	107.5	A182 R186	A182-K184 VanDerWaalsContact C-N 3.33Å; A182-K184 PolarHBondContact O-N 3.17Å; K184-R186 PolarHBondContact O-N 3.32Å
185	K	61.1	Low	55.5	Low	198 Å²	198	136.1 Å²	136.1	86%	0.861	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-53.8	125.4	-178.1	-68.7	-171	177.1	-177	0	109.9	V183	V183-K185 PolarHBondContact O-N 3.3Å
186	R	59.2	Low	56.2	Low	183 Å²	183	131 Å²	131	69%	0.691	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-66.9	136.6	179.8	-68	177.3	168.5	165.3	-4.8	109.9	K184	K184-R186 PolarHBondContact O-N 3.32Å
187	L	62.8	Low	57.4	Low	130 Å²	130	127.2 Å²	127.2	68%	0.681	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-80.5	146.2	175.9	-68.8	170.4	0	0	0	109.6	G189 D190	L187-G189 PolarHBondContact O-N 3.22Å; L187-D190 PolarHBondContact O-N 3.37Å
188	P	55.1	Low	58.4	Low	136 Å²	136	131.4 Å²	131.4	88%	0.883	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	123.7	175.1	-23.7	33.5	0	0	0	111
189	G	62	Low	59.3	Low	75 Å²	75	137 Å²	137	77%	0.773	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	104.2	-0.7	-179	0	0	0	0	0	115.8	L187	L187-G189 PolarHBondContact O-N 3.22Å
190	D	66.3	Low	60.6	Low	104 Å²	104	138 Å²	138	56%	0.556	75%	0.747	S	S	*	*			trans	-69.2	130.8	169.2	-86	-21.3	0	0	0	111.3	L187 L192	L187-D190 PolarHBondContact O-N 3.37Å; D190-L192 PolarHBondContact O-N 3.48Å
191	S	61.8	Low	61.3	Low	71 Å²	71	142.3 Å²	142.3	50%	0.497	75%	0.746	S	S	.	*			trans	-63.7	121.8	-178	-177.7	0	0	0	0	111.6	I193 N194	S191-I193 VanDerWaalsContact C-N 3.34Å; S191-N194 PolarHBondContact OG-N 3.43Å
192	L	66.8	Low	62.3	Low	147 Å²	147	141.9 Å²	141.9	77%	0.77	74%	0.743	S	S	*	*	S	Bend	trans	-70.4	-30.1	176.3	-90	148	0	0	0	113	D190	D190-L192 PolarHBondContact O-N 3.48Å
193	I	72	Confident	63.4	Low	164 Å²	164	142.5 Å²	142.5	84%	0.841	75%	0.748	S	S	*	*	S	Bend	trans	-83	-30.4	-173.8	-59	172.5	0	0	0	110.6	S191	S191-I193 VanDerWaalsContact C-N 3.34Å
194	N	63.2	Low	64.1	Low	100 Å²	100	142.1 Å²	142.1	54%	0.535	75%	0.746	S	S	.	*	S	Bend	trans	-139	76	-178.5	-145.9	-4.4	0	0	0	112.6	S191 G196 T197	S191-N194 PolarHBondContact OG-N 3.43Å; N194-G196 PolarHBondContact O-N 3.38Å; N194-T197 PolarHBondContact ND2-OG1 3.33Å; N194-T197 PolarHBondContact O-N 3.36Å; N194-T197 PolarHBondContact O-OG1 3.24Å
195	P	67.5	Low	65.1	Low	88 Å²	88	136.4 Å²	136.4	57%	0.571	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	128.6	-179.2	24.1	-31.8	0	0	0	110.9
196	G	63.9	Low	65.7	Low	82 Å²	82	132.5 Å²	132.5	85%	0.845	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	96.7	-3.4	178.4	0	0	0	0	0	115.6	N194 K198	N194-G196 PolarHBondContact O-N 3.38Å; G196-K198 PolarHBondContact O-N 3.21Å
197	T	65.3	Low	66.2	Low	90 Å²	90	128.4 Å²	128.4	55%	0.552	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-75.3	122.4	173.8	-58.9	0	0	0	0	110.4	N194 R199	N194-T197 PolarHBondContact ND2-OG1 3.33Å; N194-T197 PolarHBondContact O-N 3.36Å; N194-T197 PolarHBondContact O-OG1 3.24Å; T197-R199 PolarHBondContact O-N 3.24Å
198	K	63.5	Low	66.5	Low	202 Å²	202	130.7 Å²	130.7	88%	0.878	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-65.7	124	175.1	-69	-170.2	177.5	-178.2	0	109.9	G196	G196-K198 PolarHBondContact O-N 3.21Å
199	R	65.3	Low	67.2	Low	191 Å²	191	131.8 Å²	131.8	72%	0.721	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-63.6	138.4	178.8	177.9	173.6	155.3	-172.5	-6.1	110.8	T197 R201	T197-R199 PolarHBondContact O-N 3.24Å; R199-R201 PolarHBondContact O-N 3.13Å
200	K	69.3	Low	67.2	Low	195 Å²	195	137.2 Å²	137.2	85%	0.848	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-63.7	124.1	166.1	-87.4	-174.8	173	-178.1	0	108.9
201	R	63.7	Low	67	Low	241 Å²	241	141.1 Å²	141.1	91%	0.909	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-58.8	138.2	172.6	-79.4	-173.4	173.2	-171.8	-2.1	109	R199	R199-R201 PolarHBondContact O-N 3.13Å
202	Q	66.1	Low	66.8	Low	154 Å²	154	145.8 Å²	145.8	72%	0.72	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-63	141.1	169.9	-85.8	177.2	-30.6	0	0	108.9	T204	Q202-T204 PolarHBondContact O-N 3.27Å
203	A	68.2	Low	66.4	Low	104 Å²	104	146.5 Å²	146.5	86%	0.86	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-64.6	117.3	174.9	0	0	0	0	0	108.9
204	T	66.4	Low	65.1	Low	137 Å²	137	150.9 Å²	150.9	84%	0.84	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-77.5	128.4	168.1	-37.2	0	0	0	0	107.2	Q202	Q202-T204 PolarHBondContact O-N 3.27Å
205	G	77	Confident	65.2	Low	72 Å²	72	153.4 Å²	153.4	74%	0.742	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-59.2	155.4	-179.4	0	0	0	0	0	112.5
206	V	73.9	Confident	65.1	Low	117 Å²	117	156.8 Å²	156.8	71%	0.709	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-79.9	130.5	169.6	-77.4	0	0	0	0	109	F208	V206-F208 HydrophobicContact CG2-CE2 4.13Å; V206-F208 HydrophobicContact CG2-CZ 4.06Å
207	A	70.8	Confident	65.1	Low	97 Å²	97	161 Å²	161	80%	0.802	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-81.2	133.4	167.9	0	0	0	0	0	108.2
208	F	67.7	Low	65.1	Low	177 Å²	177	165.2 Å²	165.2	78%	0.776	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-95.3	126.7	169.3	-64	-84.6	0	0	0	106.9	V206	V206-F208 HydrophobicContact CG2-CE2 4.13Å; V206-F208 HydrophobicContact CG2-CZ 4.06Å
209	D	69.8	Low	65.2	Low	160 Å²	160	162.9 Å²	162.9	86%	0.856	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-68.2	129.6	170.3	-73.4	-30.6	0	0	0	108.2	E211	D209-E211 PolarHBondContact O-N 2.98Å
210	E	63.7	Low	65.2	Low	189 Å²	189	161 Å²	161	88%	0.883	85%	0.852	S	S	*	*			trans	-74.1	109.3	169.6	-69.8	176.9	165.4	0	0	106.9	D212	E210-D212 PolarHBondContact O-N 2.83Å
211	E	61.3	Low	64.9	Low	186 Å²	186	158.6 Å²	158.6	87%	0.869	85%	0.852	S	S	*	*			trans	-66.3	119.3	168	-75.5	-179.4	163.7	0	0	108.2	D209 D213	D209-E211 PolarHBondContact O-N 2.98Å; E211-D213 PolarHBondContact O-N 3.44Å; E211-D213 VanDerWaalsContact O-N 3.17Å
212	D	57	Low	65	Low	168 Å²	168	152.2 Å²	152.2	90%	0.898	85%	0.848	S	S	*	*			trans	-57.2	111.7	174.1	-83.7	-44	0	0	0	110.3	E210 Q214	E210-D212 PolarHBondContact O-N 2.83Å; D212-Q214 PolarHBondContact O-N 3.43Å
213	D	58.5	Low	64.9	Low	163 Å²	163	152.1 Å²	152.1	87%	0.872	86%	0.858	S	S	*	*			trans	-72.8	97	159.1	-85	-45.2	0	0	0	108.7	E211	E211-D213 PolarHBondContact O-N 3.44Å; E211-D213 VanDerWaalsContact O-N 3.17Å
214	Q	44.8	Very low	64.6	Low	255 Å²	255	156.5 Å²	156.5	100%	1.192	86%	0.858	S	S	*	*			trans	179.3	0	132.9	-153.6	84.3	83.8	0	0	113.1	D212	D212-Q214 PolarHBondContact O-N 3.43Å

Retrieved 214 of 214 residues in 86.8 ms (Link to these results)

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